USER MOD reduce.3.24.130724 H: found=0, std=0, add=1450, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 THR OG1 : rot 68:sc= 0.525 USER MOD Set 1.2: B 67 HIS : no HE2:sc= 0.396 K(o=0.92,f=-1.6!) USER MOD Set 2.1: B 48 SER OG : rot 171:sc= 0.0128 USER MOD Set 2.2: B 53 TYR OH : rot 180:sc= 0.0126 USER MOD Set 3.1: A 83 ASN : amide:sc= 0.96 K(o=2.4,f=-0.37) USER MOD Set 3.2: B 83 ASN : amide:sc= 1.45 K(o=2.4,f=-0.37!) USER MOD Set 4.1: A 73 MET CE :methyl -165:sc= -4.24! (180deg=-4.38!) USER MOD Set 4.2: B 73 MET CE :methyl 157:sc= -1.46 (180deg=-2.17!) USER MOD Set 5.1: A 15 ASN :FLIP amide:sc= -0.104 F(o=-0.6,f=-0.063) USER MOD Set 5.2: A 23 THR OG1 : rot 171:sc= -0.023 USER MOD Set 5.3: A 67 HIS :FLIP no HE2:sc= 0.0638 F(o=-0.61,f=-0.063) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.38 (180deg=0.192) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -86:sc= 1.3 USER MOD Single : A 26 THR OG1 : rot 77:sc= 0.349 USER MOD Single : A 28 TYR OH : rot 52:sc= 0.235 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 41 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.15) USER MOD Single : A 45 TYR OH : rot 1:sc= -0.548 USER MOD Single : A 48 SER OG : rot 105:sc= 1.27 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0198 X(o=-0.02,f=0.005) USER MOD Single : A 62 ASN : amide:sc=-0.00994 K(o=-0.0099,f=-2.3) USER MOD Single : A 77 THR OG1 : rot 78:sc= 0.132 USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 2.36 (180deg=1.89) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 60:sc= -0.255 USER MOD Single : A 84 HIS :FLIP no HD1:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -154:sc= 0 (180deg=-0.127) USER MOD Single : B 1 MET N :NH3+ -140:sc= 1.41 (180deg=0.493) USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0959 USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.11) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 SER OG : rot 180:sc= 0.0137 USER MOD Single : B 26 THR OG1 : rot 77:sc= 0.885 USER MOD Single : B 28 TYR OH : rot 53:sc= 0.246 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 ASN : amide:sc= 0.631 K(o=0.63,f=-4.4!) USER MOD Single : B 41 GLN : amide:sc= 0.205 X(o=0.2,f=-0.11) USER MOD Single : B 45 TYR OH : rot -166:sc= -0.952 USER MOD Single : B 57 TYR OH : rot 180:sc= 0 USER MOD Single : B 58 GLN : amide:sc=-0.00755 X(o=-0.0076,f=-0.0043) USER MOD Single : B 62 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.35) USER MOD Single : B 77 THR OG1 : rot 80:sc= 0.516 USER MOD Single : B 78 LYS NZ :NH3+ 168:sc= 1.78 (180deg=1.52) USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 TYR OH : rot 80:sc= -0.233 USER MOD Single : B 84 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-1.2) USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.984 20.416 6.686 1.00 2.21 N ATOM 2 CA MET A 1 -26.199 20.356 5.451 1.00 24.23 C ATOM 3 C MET A 1 -25.053 21.346 5.516 1.00 2.51 C ATOM 4 O MET A 1 -25.171 22.403 6.139 1.00 12.30 O ATOM 5 CB MET A 1 -27.067 20.630 4.196 1.00 23.11 C ATOM 6 CG MET A 1 -27.697 22.030 4.115 1.00 34.21 C ATOM 7 SD MET A 1 -28.908 22.365 5.415 1.00 10.54 S ATOM 8 CE MET A 1 -29.370 24.056 5.014 1.00 5.23 C ATOM 0 H1 MET A 1 -27.442 19.497 6.851 1.00 2.21 H new ATOM 0 H2 MET A 1 -26.357 20.639 7.485 1.00 2.21 H new ATOM 0 H3 MET A 1 -27.711 21.155 6.600 1.00 2.21 H new ATOM 0 HA MET A 1 -25.804 19.344 5.362 1.00 24.23 H new ATOM 0 HB2 MET A 1 -26.451 20.477 3.310 1.00 23.11 H new ATOM 0 HB3 MET A 1 -27.866 19.889 4.160 1.00 23.11 H new ATOM 0 HG2 MET A 1 -26.905 22.777 4.168 1.00 34.21 H new ATOM 0 HG3 MET A 1 -28.179 22.145 3.144 1.00 34.21 H new ATOM 0 HE1 MET A 1 -30.114 24.409 5.728 1.00 5.23 H new ATOM 0 HE2 MET A 1 -28.488 24.695 5.062 1.00 5.23 H new ATOM 0 HE3 MET A 1 -29.788 24.090 4.008 1.00 5.23 H new ATOM 20 N GLY A 2 -23.939 20.985 4.912 1.00 32.12 N ATOM 21 CA GLY A 2 -22.816 21.878 4.839 1.00 23.13 C ATOM 22 C GLY A 2 -21.794 21.667 5.934 1.00 25.04 C ATOM 23 O GLY A 2 -20.812 22.407 6.012 1.00 42.43 O ATOM 0 H GLY A 2 -23.794 20.079 4.467 1.00 32.12 H new ATOM 0 HA2 GLY A 2 -22.329 21.755 3.872 1.00 23.13 H new ATOM 0 HA3 GLY A 2 -23.177 22.905 4.886 1.00 23.13 H new ATOM 27 N PHE A 3 -21.999 20.677 6.780 1.00 53.11 N ATOM 28 CA PHE A 3 -21.062 20.438 7.850 1.00 44.33 C ATOM 29 C PHE A 3 -20.732 18.956 7.999 1.00 23.43 C ATOM 30 O PHE A 3 -21.599 18.124 8.251 1.00 13.40 O ATOM 31 CB PHE A 3 -21.571 21.027 9.179 1.00 11.22 C ATOM 32 CG PHE A 3 -20.581 20.913 10.314 1.00 51.41 C ATOM 33 CD1 PHE A 3 -19.544 21.821 10.433 1.00 32.13 C ATOM 34 CD2 PHE A 3 -20.682 19.900 11.252 1.00 4.20 C ATOM 35 CE1 PHE A 3 -18.629 21.722 11.462 1.00 53.11 C ATOM 36 CE2 PHE A 3 -19.770 19.796 12.285 1.00 53.55 C ATOM 37 CZ PHE A 3 -18.742 20.710 12.389 1.00 30.11 C ATOM 0 H PHE A 3 -22.793 20.037 6.746 1.00 53.11 H new ATOM 0 HA PHE A 3 -20.137 20.951 7.585 1.00 44.33 H new ATOM 0 HB2 PHE A 3 -21.818 22.078 9.029 1.00 11.22 H new ATOM 0 HB3 PHE A 3 -22.493 20.519 9.461 1.00 11.22 H new ATOM 0 HD1 PHE A 3 -19.449 22.618 9.711 1.00 32.13 H new ATOM 0 HD2 PHE A 3 -21.484 19.181 11.175 1.00 4.20 H new ATOM 0 HE1 PHE A 3 -17.824 22.438 11.540 1.00 53.11 H new ATOM 0 HE2 PHE A 3 -19.862 19.001 13.010 1.00 53.55 H new ATOM 0 HZ PHE A 3 -18.028 20.632 13.195 1.00 30.11 H new ATOM 47 N THR A 4 -19.492 18.648 7.807 1.00 60.14 N ATOM 48 CA THR A 4 -18.950 17.336 7.997 1.00 44.10 C ATOM 49 C THR A 4 -17.617 17.522 8.707 1.00 4.02 C ATOM 50 O THR A 4 -16.759 18.272 8.229 1.00 71.12 O ATOM 51 CB THR A 4 -18.743 16.647 6.636 1.00 40.24 C ATOM 52 OG1 THR A 4 -19.997 16.643 5.940 1.00 13.21 O ATOM 53 CG2 THR A 4 -18.264 15.210 6.804 1.00 73.43 C ATOM 0 H THR A 4 -18.797 19.329 7.501 1.00 60.14 H new ATOM 0 HA THR A 4 -19.622 16.708 8.582 1.00 44.10 H new ATOM 0 HB THR A 4 -17.982 17.193 6.078 1.00 40.24 H new ATOM 0 HG1 THR A 4 -19.886 16.209 5.068 1.00 13.21 H new ATOM 0 HG21 THR A 4 -18.128 14.755 5.823 1.00 73.43 H new ATOM 0 HG22 THR A 4 -17.316 15.203 7.341 1.00 73.43 H new ATOM 0 HG23 THR A 4 -19.005 14.643 7.368 1.00 73.43 H new ATOM 61 N ASP A 5 -17.446 16.888 9.844 1.00 52.41 N ATOM 62 CA ASP A 5 -16.258 17.117 10.637 1.00 42.11 C ATOM 63 C ASP A 5 -15.020 16.382 10.130 1.00 43.40 C ATOM 64 O ASP A 5 -14.654 15.306 10.603 1.00 55.42 O ATOM 65 CB ASP A 5 -16.486 16.946 12.163 1.00 32.44 C ATOM 66 CG ASP A 5 -16.931 15.557 12.586 1.00 22.11 C ATOM 67 OD1 ASP A 5 -18.099 15.187 12.314 1.00 10.23 O ATOM 68 OD2 ASP A 5 -16.142 14.835 13.243 1.00 64.45 O ATOM 0 H ASP A 5 -18.105 16.217 10.238 1.00 52.41 H new ATOM 0 HA ASP A 5 -16.037 18.174 10.492 1.00 42.11 H new ATOM 0 HB2 ASP A 5 -15.561 17.191 12.685 1.00 32.44 H new ATOM 0 HB3 ASP A 5 -17.236 17.668 12.488 1.00 32.44 H new ATOM 73 N GLU A 6 -14.439 16.947 9.108 1.00 70.12 N ATOM 74 CA GLU A 6 -13.183 16.505 8.569 1.00 64.22 C ATOM 75 C GLU A 6 -12.395 17.704 8.110 1.00 70.43 C ATOM 76 O GLU A 6 -12.675 18.284 7.056 1.00 63.51 O ATOM 77 CB GLU A 6 -13.332 15.488 7.407 1.00 72.00 C ATOM 78 CG GLU A 6 -11.973 15.085 6.811 1.00 41.30 C ATOM 79 CD GLU A 6 -12.033 14.043 5.714 1.00 61.23 C ATOM 80 OE1 GLU A 6 -11.935 12.845 6.031 1.00 42.43 O ATOM 81 OE2 GLU A 6 -12.112 14.410 4.518 1.00 3.14 O ATOM 0 H GLU A 6 -14.836 17.747 8.615 1.00 70.12 H new ATOM 0 HA GLU A 6 -12.658 15.979 9.366 1.00 64.22 H new ATOM 0 HB2 GLU A 6 -13.847 14.598 7.769 1.00 72.00 H new ATOM 0 HB3 GLU A 6 -13.956 15.921 6.625 1.00 72.00 H new ATOM 0 HG2 GLU A 6 -11.489 15.978 6.416 1.00 41.30 H new ATOM 0 HG3 GLU A 6 -11.340 14.708 7.614 1.00 41.30 H new ATOM 88 N THR A 7 -11.473 18.122 8.915 1.00 61.32 N ATOM 89 CA THR A 7 -10.594 19.174 8.540 1.00 43.35 C ATOM 90 C THR A 7 -9.322 18.561 7.951 1.00 30.52 C ATOM 91 O THR A 7 -8.932 17.435 8.320 1.00 22.45 O ATOM 92 CB THR A 7 -10.303 20.114 9.729 1.00 30.53 C ATOM 93 OG1 THR A 7 -9.880 19.354 10.855 1.00 35.33 O ATOM 94 CG2 THR A 7 -11.549 20.907 10.099 1.00 62.23 C ATOM 0 H THR A 7 -11.310 17.743 9.848 1.00 61.32 H new ATOM 0 HA THR A 7 -11.064 19.797 7.779 1.00 43.35 H new ATOM 0 HB THR A 7 -9.514 20.806 9.435 1.00 30.53 H new ATOM 0 HG1 THR A 7 -9.695 19.956 11.606 1.00 35.33 H new ATOM 0 HG21 THR A 7 -11.326 21.565 10.939 1.00 62.23 H new ATOM 0 HG22 THR A 7 -11.867 21.505 9.245 1.00 62.23 H new ATOM 0 HG23 THR A 7 -12.348 20.220 10.378 1.00 62.23 H new ATOM 102 N VAL A 8 -8.704 19.245 7.040 1.00 22.42 N ATOM 103 CA VAL A 8 -7.567 18.687 6.334 1.00 4.15 C ATOM 104 C VAL A 8 -6.238 18.924 7.047 1.00 14.03 C ATOM 105 O VAL A 8 -6.000 19.989 7.617 1.00 41.24 O ATOM 106 CB VAL A 8 -7.487 19.198 4.871 1.00 42.02 C ATOM 107 CG1 VAL A 8 -8.690 18.724 4.074 1.00 33.41 C ATOM 108 CG2 VAL A 8 -7.402 20.717 4.830 1.00 61.22 C ATOM 0 H VAL A 8 -8.959 20.192 6.759 1.00 22.42 H new ATOM 0 HA VAL A 8 -7.738 17.611 6.320 1.00 4.15 H new ATOM 0 HB VAL A 8 -6.582 18.788 4.422 1.00 42.02 H new ATOM 0 HG11 VAL A 8 -8.616 19.092 3.051 1.00 33.41 H new ATOM 0 HG12 VAL A 8 -8.715 17.634 4.067 1.00 33.41 H new ATOM 0 HG13 VAL A 8 -9.603 19.105 4.532 1.00 33.41 H new ATOM 0 HG21 VAL A 8 -7.347 21.050 3.794 1.00 61.22 H new ATOM 0 HG22 VAL A 8 -8.287 21.144 5.302 1.00 61.22 H new ATOM 0 HG23 VAL A 8 -6.511 21.046 5.365 1.00 61.22 H new ATOM 118 N ARG A 9 -5.405 17.907 7.044 1.00 4.10 N ATOM 119 CA ARG A 9 -4.055 18.002 7.559 1.00 74.10 C ATOM 120 C ARG A 9 -3.084 17.851 6.404 1.00 10.23 C ATOM 121 O ARG A 9 -3.085 16.819 5.727 1.00 72.32 O ATOM 122 CB ARG A 9 -3.715 16.901 8.596 1.00 24.55 C ATOM 123 CG ARG A 9 -4.352 16.978 9.988 1.00 63.44 C ATOM 124 CD ARG A 9 -5.856 16.766 10.016 1.00 32.13 C ATOM 125 NE ARG A 9 -6.316 16.694 11.411 1.00 41.43 N ATOM 126 CZ ARG A 9 -7.578 16.761 11.838 1.00 24.32 C ATOM 127 NH1 ARG A 9 -8.573 16.887 10.982 1.00 24.23 N ATOM 128 NH2 ARG A 9 -7.829 16.691 13.138 1.00 14.04 N ATOM 0 H ARG A 9 -5.646 16.984 6.682 1.00 4.10 H new ATOM 0 HA ARG A 9 -3.975 18.970 8.055 1.00 74.10 H new ATOM 0 HB2 ARG A 9 -3.989 15.940 8.160 1.00 24.55 H new ATOM 0 HB3 ARG A 9 -2.633 16.894 8.728 1.00 24.55 H new ATOM 0 HG2 ARG A 9 -3.883 16.231 10.628 1.00 63.44 H new ATOM 0 HG3 ARG A 9 -4.129 17.954 10.420 1.00 63.44 H new ATOM 0 HD2 ARG A 9 -6.359 17.583 9.498 1.00 32.13 H new ATOM 0 HD3 ARG A 9 -6.114 15.847 9.489 1.00 32.13 H new ATOM 0 HE ARG A 9 -5.596 16.581 12.125 1.00 41.43 H new ATOM 0 HH11 ARG A 9 -8.382 16.934 9.981 1.00 24.23 H new ATOM 0 HH12 ARG A 9 -9.534 16.937 11.321 1.00 24.23 H new ATOM 0 HH21 ARG A 9 -7.061 16.587 13.801 1.00 14.04 H new ATOM 0 HH22 ARG A 9 -8.790 16.741 13.475 1.00 14.04 H new ATOM 142 N PHE A 10 -2.286 18.853 6.161 1.00 62.12 N ATOM 143 CA PHE A 10 -1.276 18.764 5.123 1.00 53.34 C ATOM 144 C PHE A 10 0.107 19.017 5.680 1.00 65.13 C ATOM 145 O PHE A 10 0.430 20.137 6.119 1.00 20.42 O ATOM 146 CB PHE A 10 -1.561 19.686 3.929 1.00 43.44 C ATOM 147 CG PHE A 10 -2.791 19.331 3.145 1.00 31.22 C ATOM 148 CD1 PHE A 10 -3.888 20.168 3.124 1.00 60.40 C ATOM 149 CD2 PHE A 10 -2.840 18.152 2.423 1.00 32.00 C ATOM 150 CE1 PHE A 10 -5.014 19.834 2.395 1.00 5.21 C ATOM 151 CE2 PHE A 10 -3.960 17.813 1.697 1.00 30.54 C ATOM 152 CZ PHE A 10 -5.048 18.654 1.681 1.00 32.13 C ATOM 0 H PHE A 10 -2.308 19.742 6.661 1.00 62.12 H new ATOM 0 HA PHE A 10 -1.316 17.742 4.746 1.00 53.34 H new ATOM 0 HB2 PHE A 10 -1.660 20.709 4.292 1.00 43.44 H new ATOM 0 HB3 PHE A 10 -0.701 19.668 3.259 1.00 43.44 H new ATOM 0 HD1 PHE A 10 -3.867 21.092 3.682 1.00 60.40 H new ATOM 0 HD2 PHE A 10 -1.988 17.488 2.429 1.00 32.00 H new ATOM 0 HE1 PHE A 10 -5.867 20.497 2.384 1.00 5.21 H new ATOM 0 HE2 PHE A 10 -3.984 16.888 1.141 1.00 30.54 H new ATOM 0 HZ PHE A 10 -5.927 18.391 1.111 1.00 32.13 H new ATOM 162 N ASP A 11 0.903 17.981 5.688 1.00 65.13 N ATOM 163 CA ASP A 11 2.265 18.030 6.167 1.00 1.21 C ATOM 164 C ASP A 11 3.071 16.998 5.409 1.00 30.55 C ATOM 165 O ASP A 11 2.512 16.013 4.913 1.00 51.14 O ATOM 166 CB ASP A 11 2.313 17.741 7.678 1.00 63.44 C ATOM 167 CG ASP A 11 3.695 17.901 8.274 1.00 24.11 C ATOM 168 OD1 ASP A 11 4.411 16.905 8.442 1.00 41.11 O ATOM 169 OD2 ASP A 11 4.077 19.050 8.596 1.00 64.14 O ATOM 0 H ASP A 11 0.620 17.059 5.356 1.00 65.13 H new ATOM 0 HA ASP A 11 2.682 19.024 6.003 1.00 1.21 H new ATOM 0 HB2 ASP A 11 1.624 18.411 8.191 1.00 63.44 H new ATOM 0 HB3 ASP A 11 1.963 16.725 7.858 1.00 63.44 H new ATOM 174 N PHE A 12 4.343 17.215 5.291 1.00 23.34 N ATOM 175 CA PHE A 12 5.184 16.303 4.584 1.00 51.22 C ATOM 176 C PHE A 12 6.398 15.956 5.416 1.00 71.44 C ATOM 177 O PHE A 12 7.283 16.791 5.628 1.00 74.14 O ATOM 178 CB PHE A 12 5.590 16.896 3.231 1.00 31.33 C ATOM 179 CG PHE A 12 6.457 16.003 2.388 1.00 71.20 C ATOM 180 CD1 PHE A 12 5.912 14.922 1.721 1.00 21.35 C ATOM 181 CD2 PHE A 12 7.814 16.252 2.260 1.00 71.34 C ATOM 182 CE1 PHE A 12 6.702 14.107 0.945 1.00 3.33 C ATOM 183 CE2 PHE A 12 8.607 15.440 1.482 1.00 3.41 C ATOM 184 CZ PHE A 12 8.052 14.369 0.825 1.00 61.13 C ATOM 0 H PHE A 12 4.825 18.025 5.680 1.00 23.34 H new ATOM 0 HA PHE A 12 4.631 15.383 4.397 1.00 51.22 H new ATOM 0 HB2 PHE A 12 4.687 17.138 2.670 1.00 31.33 H new ATOM 0 HB3 PHE A 12 6.118 17.834 3.404 1.00 31.33 H new ATOM 0 HD1 PHE A 12 4.856 14.716 1.810 1.00 21.35 H new ATOM 0 HD2 PHE A 12 8.254 17.092 2.776 1.00 71.34 H new ATOM 0 HE1 PHE A 12 6.267 13.263 0.430 1.00 3.33 H new ATOM 0 HE2 PHE A 12 9.663 15.644 1.388 1.00 3.41 H new ATOM 0 HZ PHE A 12 8.673 13.731 0.214 1.00 61.13 H new ATOM 194 N ASP A 13 6.419 14.749 5.909 1.00 52.31 N ATOM 195 CA ASP A 13 7.539 14.252 6.672 1.00 34.11 C ATOM 196 C ASP A 13 8.374 13.353 5.792 1.00 42.31 C ATOM 197 O ASP A 13 8.014 12.200 5.555 1.00 32.33 O ATOM 198 CB ASP A 13 7.067 13.497 7.933 1.00 11.44 C ATOM 199 CG ASP A 13 8.217 12.939 8.751 1.00 54.24 C ATOM 200 OD1 ASP A 13 8.503 11.731 8.665 1.00 33.41 O ATOM 201 OD2 ASP A 13 8.861 13.704 9.493 1.00 40.52 O ATOM 0 H ASP A 13 5.660 14.077 5.795 1.00 52.31 H new ATOM 0 HA ASP A 13 8.142 15.096 7.008 1.00 34.11 H new ATOM 0 HB2 ASP A 13 6.478 14.171 8.555 1.00 11.44 H new ATOM 0 HB3 ASP A 13 6.409 12.680 7.637 1.00 11.44 H new ATOM 206 N ASP A 14 9.456 13.903 5.263 1.00 43.42 N ATOM 207 CA ASP A 14 10.352 13.160 4.370 1.00 32.32 C ATOM 208 C ASP A 14 11.153 12.148 5.128 1.00 53.30 C ATOM 209 O ASP A 14 12.049 12.502 5.898 1.00 44.12 O ATOM 210 CB ASP A 14 11.296 14.099 3.606 1.00 35.35 C ATOM 211 CG ASP A 14 12.334 13.348 2.770 1.00 23.53 C ATOM 212 OD1 ASP A 14 13.540 13.364 3.131 1.00 11.12 O ATOM 213 OD2 ASP A 14 11.973 12.739 1.747 1.00 44.30 O ATOM 0 H ASP A 14 9.742 14.867 5.434 1.00 43.42 H new ATOM 0 HA ASP A 14 9.721 12.643 3.647 1.00 32.32 H new ATOM 0 HB2 ASP A 14 10.708 14.744 2.953 1.00 35.35 H new ATOM 0 HB3 ASP A 14 11.809 14.747 4.316 1.00 35.35 H new ATOM 218 N ASN A 15 10.823 10.912 4.952 1.00 75.33 N ATOM 219 CA ASN A 15 11.539 9.851 5.609 1.00 72.23 C ATOM 220 C ASN A 15 11.510 8.618 4.712 1.00 54.21 C ATOM 221 O ASN A 15 11.821 7.506 5.144 1.00 75.25 O ATOM 222 CB ASN A 15 10.905 9.545 6.980 1.00 2.34 C ATOM 223 CG ASN A 15 11.828 8.765 7.929 1.00 45.14 C ATOM 224 OD1 ASN A 15 11.808 7.460 7.864 1.00 15.11 O flip ATOM 225 ND2 ASN A 15 12.571 9.359 8.703 1.00 3.13 N flip ATOM 0 H ASN A 15 10.056 10.602 4.355 1.00 75.33 H new ATOM 0 HA ASN A 15 12.572 10.151 5.782 1.00 72.23 H new ATOM 0 HB2 ASN A 15 10.619 10.483 7.456 1.00 2.34 H new ATOM 0 HB3 ASN A 15 9.989 8.974 6.827 1.00 2.34 H new ATOM 0 HD21 ASN A 15 12.566 10.379 8.733 1.00 3.13 H new ATOM 0 HD22 ASN A 15 13.194 8.833 9.317 1.00 3.13 H new ATOM 232 N ARG A 16 11.096 8.817 3.457 1.00 43.40 N ATOM 233 CA ARG A 16 11.127 7.763 2.462 1.00 63.40 C ATOM 234 C ARG A 16 12.546 7.270 2.315 1.00 60.24 C ATOM 235 O ARG A 16 13.424 7.982 1.805 1.00 64.24 O ATOM 236 CB ARG A 16 10.563 8.247 1.133 1.00 1.12 C ATOM 237 CG ARG A 16 10.610 7.216 0.022 1.00 24.33 C ATOM 238 CD ARG A 16 9.935 7.736 -1.224 1.00 30.13 C ATOM 239 NE ARG A 16 8.499 7.957 -1.011 1.00 11.42 N ATOM 240 CZ ARG A 16 7.807 9.017 -1.462 1.00 31.04 C ATOM 241 NH1 ARG A 16 8.426 10.005 -2.086 1.00 64.13 N ATOM 242 NH2 ARG A 16 6.504 9.080 -1.281 1.00 52.42 N ATOM 0 H ARG A 16 10.735 9.707 3.113 1.00 43.40 H new ATOM 0 HA ARG A 16 10.496 6.936 2.789 1.00 63.40 H new ATOM 0 HB2 ARG A 16 9.529 8.556 1.282 1.00 1.12 H new ATOM 0 HB3 ARG A 16 11.118 9.130 0.817 1.00 1.12 H new ATOM 0 HG2 ARG A 16 11.646 6.962 -0.200 1.00 24.33 H new ATOM 0 HG3 ARG A 16 10.120 6.299 0.350 1.00 24.33 H new ATOM 0 HD2 ARG A 16 10.406 8.670 -1.530 1.00 30.13 H new ATOM 0 HD3 ARG A 16 10.077 7.026 -2.038 1.00 30.13 H new ATOM 0 HE ARG A 16 7.988 7.252 -0.480 1.00 11.42 H new ATOM 0 HH11 ARG A 16 9.435 9.966 -2.228 1.00 64.13 H new ATOM 0 HH12 ARG A 16 7.894 10.806 -2.426 1.00 64.13 H new ATOM 0 HH21 ARG A 16 6.019 8.324 -0.798 1.00 52.42 H new ATOM 0 HH22 ARG A 16 5.980 9.885 -1.624 1.00 52.42 H new ATOM 256 N LYS A 17 12.761 6.078 2.805 1.00 42.14 N ATOM 257 CA LYS A 17 14.049 5.484 2.898 1.00 30.23 C ATOM 258 C LYS A 17 13.789 4.013 3.247 1.00 34.24 C ATOM 259 O LYS A 17 12.631 3.657 3.554 1.00 1.24 O ATOM 260 CB LYS A 17 14.802 6.230 4.023 1.00 13.01 C ATOM 261 CG LYS A 17 16.290 5.969 4.142 1.00 63.12 C ATOM 262 CD LYS A 17 16.925 6.884 5.201 1.00 33.44 C ATOM 263 CE LYS A 17 16.748 8.366 4.835 1.00 1.05 C ATOM 264 NZ LYS A 17 17.347 9.274 5.833 1.00 45.22 N ATOM 0 H LYS A 17 12.013 5.482 3.160 1.00 42.14 H new ATOM 0 HA LYS A 17 14.649 5.544 1.990 1.00 30.23 H new ATOM 0 HB2 LYS A 17 14.656 7.300 3.877 1.00 13.01 H new ATOM 0 HB3 LYS A 17 14.335 5.971 4.973 1.00 13.01 H new ATOM 0 HG2 LYS A 17 16.460 4.926 4.408 1.00 63.12 H new ATOM 0 HG3 LYS A 17 16.770 6.134 3.178 1.00 63.12 H new ATOM 0 HD2 LYS A 17 16.470 6.690 6.172 1.00 33.44 H new ATOM 0 HD3 LYS A 17 17.986 6.654 5.294 1.00 33.44 H new ATOM 0 HE2 LYS A 17 17.202 8.552 3.862 1.00 1.05 H new ATOM 0 HE3 LYS A 17 15.685 8.588 4.739 1.00 1.05 H new ATOM 0 HZ1 LYS A 17 17.199 10.260 5.538 1.00 45.22 H new ATOM 0 HZ2 LYS A 17 16.898 9.118 6.758 1.00 45.22 H new ATOM 0 HZ3 LYS A 17 18.367 9.084 5.907 1.00 45.22 H new ATOM 278 N LYS A 18 14.802 3.162 3.222 1.00 21.02 N ATOM 279 CA LYS A 18 14.579 1.730 3.454 1.00 65.20 C ATOM 280 C LYS A 18 14.130 1.377 4.880 1.00 22.54 C ATOM 281 O LYS A 18 13.703 0.262 5.127 1.00 5.50 O ATOM 282 CB LYS A 18 15.753 0.854 2.993 1.00 21.12 C ATOM 283 CG LYS A 18 16.008 0.908 1.483 1.00 52.44 C ATOM 284 CD LYS A 18 17.070 -0.100 1.039 1.00 20.33 C ATOM 285 CE LYS A 18 18.414 0.132 1.715 1.00 4.14 C ATOM 286 NZ LYS A 18 19.420 -0.874 1.299 1.00 54.11 N ATOM 0 H LYS A 18 15.772 3.423 3.047 1.00 21.02 H new ATOM 0 HA LYS A 18 13.729 1.491 2.814 1.00 65.20 H new ATOM 0 HB2 LYS A 18 16.656 1.168 3.516 1.00 21.12 H new ATOM 0 HB3 LYS A 18 15.560 -0.179 3.283 1.00 21.12 H new ATOM 0 HG2 LYS A 18 15.077 0.710 0.952 1.00 52.44 H new ATOM 0 HG3 LYS A 18 16.325 1.913 1.206 1.00 52.44 H new ATOM 0 HD2 LYS A 18 16.724 -1.109 1.263 1.00 20.33 H new ATOM 0 HD3 LYS A 18 17.195 -0.038 -0.042 1.00 20.33 H new ATOM 0 HE2 LYS A 18 18.776 1.131 1.471 1.00 4.14 H new ATOM 0 HE3 LYS A 18 18.288 0.094 2.797 1.00 4.14 H new ATOM 0 HZ1 LYS A 18 20.322 -0.683 1.780 1.00 54.11 H new ATOM 0 HZ2 LYS A 18 19.086 -1.825 1.555 1.00 54.11 H new ATOM 0 HZ3 LYS A 18 19.559 -0.821 0.270 1.00 54.11 H new ATOM 300 N ALA A 19 14.202 2.332 5.800 1.00 11.14 N ATOM 301 CA ALA A 19 13.742 2.117 7.186 1.00 21.53 C ATOM 302 C ALA A 19 12.263 1.811 7.241 1.00 3.41 C ATOM 303 O ALA A 19 11.795 1.177 8.173 1.00 73.45 O ATOM 304 CB ALA A 19 14.016 3.301 8.045 1.00 3.45 C ATOM 0 H ALA A 19 14.573 3.265 5.621 1.00 11.14 H new ATOM 0 HA ALA A 19 14.302 1.261 7.563 1.00 21.53 H new ATOM 0 HB1 ALA A 19 13.663 3.105 9.058 1.00 3.45 H new ATOM 0 HB2 ALA A 19 15.088 3.495 8.065 1.00 3.45 H new ATOM 0 HB3 ALA A 19 13.497 4.171 7.642 1.00 3.45 H new ATOM 310 N ILE A 20 11.529 2.287 6.248 1.00 65.24 N ATOM 311 CA ILE A 20 10.098 2.038 6.151 1.00 10.04 C ATOM 312 C ILE A 20 9.802 0.528 6.180 1.00 12.11 C ATOM 313 O ILE A 20 8.780 0.091 6.730 1.00 63.02 O ATOM 314 CB ILE A 20 9.489 2.706 4.880 1.00 40.34 C ATOM 315 CG1 ILE A 20 9.619 4.239 4.979 1.00 61.30 C ATOM 316 CG2 ILE A 20 8.035 2.298 4.673 1.00 20.12 C ATOM 317 CD1 ILE A 20 9.061 4.989 3.787 1.00 54.33 C ATOM 0 H ILE A 20 11.906 2.855 5.489 1.00 65.24 H new ATOM 0 HA ILE A 20 9.621 2.493 7.020 1.00 10.04 H new ATOM 0 HB ILE A 20 10.049 2.358 4.012 1.00 40.34 H new ATOM 0 HG12 ILE A 20 9.107 4.578 5.879 1.00 61.30 H new ATOM 0 HG13 ILE A 20 10.672 4.496 5.095 1.00 61.30 H new ATOM 0 HG21 ILE A 20 7.645 2.783 3.778 1.00 20.12 H new ATOM 0 HG22 ILE A 20 7.974 1.216 4.555 1.00 20.12 H new ATOM 0 HG23 ILE A 20 7.445 2.603 5.537 1.00 20.12 H new ATOM 0 HD11 ILE A 20 9.192 6.061 3.937 1.00 54.33 H new ATOM 0 HD12 ILE A 20 9.589 4.682 2.884 1.00 54.33 H new ATOM 0 HD13 ILE A 20 8.000 4.765 3.681 1.00 54.33 H new ATOM 329 N SER A 21 10.728 -0.259 5.651 1.00 64.25 N ATOM 330 CA SER A 21 10.524 -1.705 5.573 1.00 41.41 C ATOM 331 C SER A 21 10.525 -2.309 6.978 1.00 21.55 C ATOM 332 O SER A 21 9.787 -3.259 7.274 1.00 64.35 O ATOM 333 CB SER A 21 11.594 -2.366 4.678 1.00 44.33 C ATOM 334 OG SER A 21 12.900 -2.222 5.221 1.00 33.32 O ATOM 0 H SER A 21 11.617 0.069 5.273 1.00 64.25 H new ATOM 0 HA SER A 21 9.553 -1.898 5.116 1.00 41.41 H new ATOM 0 HB2 SER A 21 11.365 -3.425 4.559 1.00 44.33 H new ATOM 0 HB3 SER A 21 11.563 -1.920 3.684 1.00 44.33 H new ATOM 0 HG SER A 21 13.281 -1.366 4.934 1.00 33.32 H new ATOM 340 N GLU A 22 11.331 -1.705 7.835 1.00 12.34 N ATOM 341 CA GLU A 22 11.477 -2.075 9.220 1.00 31.35 C ATOM 342 C GLU A 22 10.166 -1.802 9.959 1.00 62.13 C ATOM 343 O GLU A 22 9.729 -2.597 10.806 1.00 21.20 O ATOM 344 CB GLU A 22 12.615 -1.241 9.809 1.00 40.32 C ATOM 345 CG GLU A 22 12.914 -1.465 11.267 1.00 4.31 C ATOM 346 CD GLU A 22 14.016 -0.569 11.749 1.00 51.50 C ATOM 347 OE1 GLU A 22 15.205 -0.884 11.500 1.00 32.14 O ATOM 348 OE2 GLU A 22 13.726 0.467 12.371 1.00 72.11 O ATOM 0 H GLU A 22 11.920 -0.916 7.569 1.00 12.34 H new ATOM 0 HA GLU A 22 11.709 -3.135 9.320 1.00 31.35 H new ATOM 0 HB2 GLU A 22 13.521 -1.445 9.238 1.00 40.32 H new ATOM 0 HB3 GLU A 22 12.378 -0.187 9.665 1.00 40.32 H new ATOM 0 HG2 GLU A 22 12.014 -1.285 11.855 1.00 4.31 H new ATOM 0 HG3 GLU A 22 13.195 -2.506 11.426 1.00 4.31 H new ATOM 355 N THR A 23 9.536 -0.689 9.608 1.00 63.34 N ATOM 356 CA THR A 23 8.282 -0.282 10.197 1.00 5.55 C ATOM 357 C THR A 23 7.162 -1.281 9.844 1.00 22.12 C ATOM 358 O THR A 23 6.488 -1.815 10.731 1.00 31.12 O ATOM 359 CB THR A 23 7.888 1.131 9.690 1.00 45.45 C ATOM 360 OG1 THR A 23 8.933 2.069 9.996 1.00 34.45 O ATOM 361 CG2 THR A 23 6.584 1.602 10.324 1.00 51.05 C ATOM 0 H THR A 23 9.889 -0.044 8.901 1.00 63.34 H new ATOM 0 HA THR A 23 8.408 -0.260 11.280 1.00 5.55 H new ATOM 0 HB THR A 23 7.746 1.073 8.611 1.00 45.45 H new ATOM 0 HG1 THR A 23 8.748 2.922 9.550 1.00 34.45 H new ATOM 0 HG21 THR A 23 6.335 2.595 9.949 1.00 51.05 H new ATOM 0 HG22 THR A 23 5.784 0.907 10.070 1.00 51.05 H new ATOM 0 HG23 THR A 23 6.700 1.642 11.407 1.00 51.05 H new ATOM 369 N LEU A 24 6.998 -1.562 8.558 1.00 34.41 N ATOM 370 CA LEU A 24 5.932 -2.455 8.105 1.00 22.52 C ATOM 371 C LEU A 24 6.133 -3.897 8.509 1.00 54.30 C ATOM 372 O LEU A 24 5.162 -4.628 8.681 1.00 63.51 O ATOM 373 CB LEU A 24 5.580 -2.311 6.621 1.00 31.43 C ATOM 374 CG LEU A 24 4.775 -1.057 6.221 1.00 15.14 C ATOM 375 CD1 LEU A 24 5.534 0.229 6.477 1.00 72.02 C ATOM 376 CD2 LEU A 24 4.339 -1.150 4.776 1.00 51.13 C ATOM 0 H LEU A 24 7.584 -1.189 7.811 1.00 34.41 H new ATOM 0 HA LEU A 24 5.054 -2.108 8.649 1.00 22.52 H new ATOM 0 HB2 LEU A 24 6.508 -2.317 6.049 1.00 31.43 H new ATOM 0 HB3 LEU A 24 5.013 -3.191 6.318 1.00 31.43 H new ATOM 0 HG LEU A 24 3.890 -1.026 6.857 1.00 15.14 H new ATOM 0 HD11 LEU A 24 4.921 1.079 6.178 1.00 72.02 H new ATOM 0 HD12 LEU A 24 5.769 0.307 7.538 1.00 72.02 H new ATOM 0 HD13 LEU A 24 6.458 0.227 5.900 1.00 72.02 H new ATOM 0 HD21 LEU A 24 3.772 -0.258 4.509 1.00 51.13 H new ATOM 0 HD22 LEU A 24 5.217 -1.227 4.135 1.00 51.13 H new ATOM 0 HD23 LEU A 24 3.713 -2.032 4.641 1.00 51.13 H new ATOM 388 N GLU A 25 7.380 -4.315 8.654 1.00 12.33 N ATOM 389 CA GLU A 25 7.685 -5.652 9.137 1.00 45.23 C ATOM 390 C GLU A 25 7.062 -5.823 10.540 1.00 25.10 C ATOM 391 O GLU A 25 6.500 -6.879 10.866 1.00 44.23 O ATOM 392 CB GLU A 25 9.228 -5.850 9.100 1.00 3.41 C ATOM 393 CG GLU A 25 9.789 -7.231 9.486 1.00 1.54 C ATOM 394 CD GLU A 25 9.817 -7.503 10.975 1.00 34.12 C ATOM 395 OE1 GLU A 25 9.055 -8.374 11.460 1.00 73.35 O ATOM 396 OE2 GLU A 25 10.613 -6.851 11.679 1.00 44.12 O ATOM 0 H GLU A 25 8.200 -3.746 8.443 1.00 12.33 H new ATOM 0 HA GLU A 25 7.253 -6.430 8.507 1.00 45.23 H new ATOM 0 HB2 GLU A 25 9.570 -5.621 8.091 1.00 3.41 H new ATOM 0 HB3 GLU A 25 9.676 -5.110 9.764 1.00 3.41 H new ATOM 0 HG2 GLU A 25 9.190 -8.001 9.000 1.00 1.54 H new ATOM 0 HG3 GLU A 25 10.802 -7.320 9.094 1.00 1.54 H new ATOM 403 N THR A 26 7.106 -4.752 11.327 1.00 65.24 N ATOM 404 CA THR A 26 6.509 -4.737 12.643 1.00 13.54 C ATOM 405 C THR A 26 4.966 -4.676 12.541 1.00 63.33 C ATOM 406 O THR A 26 4.253 -5.385 13.267 1.00 51.43 O ATOM 407 CB THR A 26 7.031 -3.538 13.458 1.00 34.44 C ATOM 408 OG1 THR A 26 8.461 -3.544 13.407 1.00 3.41 O ATOM 409 CG2 THR A 26 6.602 -3.664 14.909 1.00 34.24 C ATOM 0 H THR A 26 7.557 -3.876 11.064 1.00 65.24 H new ATOM 0 HA THR A 26 6.789 -5.658 13.154 1.00 13.54 H new ATOM 0 HB THR A 26 6.628 -2.615 13.041 1.00 34.44 H new ATOM 0 HG1 THR A 26 8.759 -3.209 12.535 1.00 3.41 H new ATOM 0 HG21 THR A 26 6.977 -2.811 15.475 1.00 34.24 H new ATOM 0 HG22 THR A 26 5.514 -3.687 14.966 1.00 34.24 H new ATOM 0 HG23 THR A 26 7.007 -4.584 15.330 1.00 34.24 H new ATOM 417 N VAL A 27 4.465 -3.842 11.619 1.00 3.41 N ATOM 418 CA VAL A 27 3.019 -3.678 11.409 1.00 31.24 C ATOM 419 C VAL A 27 2.380 -5.013 11.011 1.00 4.11 C ATOM 420 O VAL A 27 1.281 -5.348 11.462 1.00 55.23 O ATOM 421 CB VAL A 27 2.699 -2.605 10.317 1.00 73.01 C ATOM 422 CG1 VAL A 27 1.197 -2.438 10.149 1.00 14.13 C ATOM 423 CG2 VAL A 27 3.332 -1.262 10.655 1.00 61.12 C ATOM 0 H VAL A 27 5.042 -3.268 11.004 1.00 3.41 H new ATOM 0 HA VAL A 27 2.599 -3.334 12.354 1.00 31.24 H new ATOM 0 HB VAL A 27 3.125 -2.959 9.378 1.00 73.01 H new ATOM 0 HG11 VAL A 27 0.998 -1.687 9.385 1.00 14.13 H new ATOM 0 HG12 VAL A 27 0.757 -3.388 9.847 1.00 14.13 H new ATOM 0 HG13 VAL A 27 0.758 -2.119 11.094 1.00 14.13 H new ATOM 0 HG21 VAL A 27 3.090 -0.539 9.876 1.00 61.12 H new ATOM 0 HG22 VAL A 27 2.946 -0.908 11.611 1.00 61.12 H new ATOM 0 HG23 VAL A 27 4.414 -1.376 10.721 1.00 61.12 H new ATOM 433 N TYR A 28 3.090 -5.776 10.199 1.00 43.12 N ATOM 434 CA TYR A 28 2.604 -7.062 9.742 1.00 64.10 C ATOM 435 C TYR A 28 2.391 -8.009 10.925 1.00 3.54 C ATOM 436 O TYR A 28 1.309 -8.590 11.080 1.00 72.24 O ATOM 437 CB TYR A 28 3.557 -7.682 8.700 1.00 55.32 C ATOM 438 CG TYR A 28 3.086 -9.024 8.181 1.00 4.04 C ATOM 439 CD1 TYR A 28 3.544 -10.202 8.743 1.00 52.13 C ATOM 440 CD2 TYR A 28 2.167 -9.107 7.141 1.00 11.30 C ATOM 441 CE1 TYR A 28 3.103 -11.423 8.289 1.00 72.20 C ATOM 442 CE2 TYR A 28 1.712 -10.328 6.687 1.00 13.44 C ATOM 443 CZ TYR A 28 2.184 -11.479 7.264 1.00 63.40 C ATOM 444 OH TYR A 28 1.711 -12.698 6.838 1.00 21.04 O ATOM 0 H TYR A 28 4.011 -5.523 9.842 1.00 43.12 H new ATOM 0 HA TYR A 28 1.642 -6.905 9.254 1.00 64.10 H new ATOM 0 HB2 TYR A 28 3.665 -6.994 7.862 1.00 55.32 H new ATOM 0 HB3 TYR A 28 4.545 -7.799 9.146 1.00 55.32 H new ATOM 0 HD1 TYR A 28 4.259 -10.162 9.551 1.00 52.13 H new ATOM 0 HD2 TYR A 28 1.803 -8.200 6.681 1.00 11.30 H new ATOM 0 HE1 TYR A 28 3.475 -12.334 8.734 1.00 72.20 H new ATOM 0 HE2 TYR A 28 0.991 -10.377 5.885 1.00 13.44 H new ATOM 0 HH TYR A 28 1.387 -13.210 7.608 1.00 21.04 H new ATOM 454 N ARG A 29 3.413 -8.137 11.768 1.00 70.13 N ATOM 455 CA ARG A 29 3.328 -8.992 12.954 1.00 23.23 C ATOM 456 C ARG A 29 2.246 -8.562 13.909 1.00 71.34 C ATOM 457 O ARG A 29 1.610 -9.403 14.534 1.00 34.11 O ATOM 458 CB ARG A 29 4.670 -9.132 13.672 1.00 61.22 C ATOM 459 CG ARG A 29 5.566 -10.217 13.106 1.00 74.33 C ATOM 460 CD ARG A 29 4.946 -11.591 13.358 1.00 41.02 C ATOM 461 NE ARG A 29 5.779 -12.686 12.873 1.00 72.23 N ATOM 462 CZ ARG A 29 5.601 -13.977 13.195 1.00 41.04 C ATOM 463 NH1 ARG A 29 4.637 -14.344 14.040 1.00 20.45 N ATOM 464 NH2 ARG A 29 6.403 -14.900 12.683 1.00 51.34 N ATOM 0 H ARG A 29 4.308 -7.662 11.654 1.00 70.13 H new ATOM 0 HA ARG A 29 3.052 -9.978 12.581 1.00 23.23 H new ATOM 0 HB2 ARG A 29 5.197 -8.179 13.623 1.00 61.22 H new ATOM 0 HB3 ARG A 29 4.486 -9.341 14.726 1.00 61.22 H new ATOM 0 HG2 ARG A 29 5.706 -10.063 12.036 1.00 74.33 H new ATOM 0 HG3 ARG A 29 6.552 -10.164 13.568 1.00 74.33 H new ATOM 0 HD2 ARG A 29 4.775 -11.717 14.427 1.00 41.02 H new ATOM 0 HD3 ARG A 29 3.972 -11.639 12.872 1.00 41.02 H new ATOM 0 HE ARG A 29 6.550 -12.455 12.246 1.00 72.23 H new ATOM 0 HH11 ARG A 29 4.023 -13.640 14.451 1.00 20.45 H new ATOM 0 HH12 ARG A 29 4.513 -15.329 14.276 1.00 20.45 H new ATOM 0 HH21 ARG A 29 7.152 -14.628 12.047 1.00 51.34 H new ATOM 0 HH22 ARG A 29 6.271 -15.882 12.925 1.00 51.34 H new ATOM 478 N ALA A 30 2.019 -7.264 13.991 1.00 44.11 N ATOM 479 CA ALA A 30 1.002 -6.713 14.873 1.00 2.23 C ATOM 480 C ALA A 30 -0.353 -7.359 14.612 1.00 55.43 C ATOM 481 O ALA A 30 -1.003 -7.857 15.533 1.00 3.12 O ATOM 482 CB ALA A 30 0.916 -5.202 14.717 1.00 35.11 C ATOM 0 H ALA A 30 2.530 -6.564 13.453 1.00 44.11 H new ATOM 0 HA ALA A 30 1.290 -6.935 15.901 1.00 2.23 H new ATOM 0 HB1 ALA A 30 0.149 -4.810 15.386 1.00 35.11 H new ATOM 0 HB2 ALA A 30 1.878 -4.755 14.967 1.00 35.11 H new ATOM 0 HB3 ALA A 30 0.659 -4.957 13.687 1.00 35.11 H new ATOM 488 N LEU A 31 -0.777 -7.358 13.365 1.00 75.24 N ATOM 489 CA LEU A 31 -2.041 -7.963 13.021 1.00 53.41 C ATOM 490 C LEU A 31 -2.010 -9.483 13.013 1.00 15.31 C ATOM 491 O LEU A 31 -3.000 -10.114 13.355 1.00 62.45 O ATOM 492 CB LEU A 31 -2.685 -7.395 11.763 1.00 44.23 C ATOM 493 CG LEU A 31 -3.118 -5.931 11.839 1.00 71.32 C ATOM 494 CD1 LEU A 31 -1.967 -4.959 11.649 1.00 74.13 C ATOM 495 CD2 LEU A 31 -4.261 -5.644 10.918 1.00 61.31 C ATOM 0 H LEU A 31 -0.268 -6.948 12.581 1.00 75.24 H new ATOM 0 HA LEU A 31 -2.697 -7.675 13.842 1.00 53.41 H new ATOM 0 HB2 LEU A 31 -1.982 -7.504 10.937 1.00 44.23 H new ATOM 0 HB3 LEU A 31 -3.558 -8.000 11.520 1.00 44.23 H new ATOM 0 HG LEU A 31 -3.475 -5.769 12.856 1.00 71.32 H new ATOM 0 HD11 LEU A 31 -2.340 -3.937 11.714 1.00 74.13 H new ATOM 0 HD12 LEU A 31 -1.220 -5.123 12.426 1.00 74.13 H new ATOM 0 HD13 LEU A 31 -1.514 -5.119 10.671 1.00 74.13 H new ATOM 0 HD21 LEU A 31 -4.540 -4.594 11.001 1.00 61.31 H new ATOM 0 HD22 LEU A 31 -3.965 -5.861 9.892 1.00 61.31 H new ATOM 0 HD23 LEU A 31 -5.113 -6.268 11.189 1.00 61.31 H new ATOM 507 N GLU A 32 -0.878 -10.068 12.633 1.00 33.00 N ATOM 508 CA GLU A 32 -0.725 -11.534 12.619 1.00 72.24 C ATOM 509 C GLU A 32 -0.935 -12.141 13.989 1.00 34.24 C ATOM 510 O GLU A 32 -1.669 -13.129 14.138 1.00 62.22 O ATOM 511 CB GLU A 32 0.636 -11.929 12.086 1.00 4.31 C ATOM 512 CG GLU A 32 0.781 -11.765 10.599 1.00 62.52 C ATOM 513 CD GLU A 32 -0.007 -12.796 9.818 1.00 14.13 C ATOM 514 OE1 GLU A 32 -1.195 -12.574 9.523 1.00 31.03 O ATOM 515 OE2 GLU A 32 0.569 -13.850 9.468 1.00 44.43 O ATOM 0 H GLU A 32 -0.049 -9.557 12.329 1.00 33.00 H new ATOM 0 HA GLU A 32 -1.497 -11.925 11.957 1.00 72.24 H new ATOM 0 HB2 GLU A 32 1.398 -11.329 12.583 1.00 4.31 H new ATOM 0 HB3 GLU A 32 0.829 -12.969 12.347 1.00 4.31 H new ATOM 0 HG2 GLU A 32 0.449 -10.767 10.314 1.00 62.52 H new ATOM 0 HG3 GLU A 32 1.835 -11.839 10.330 1.00 62.52 H new ATOM 522 N GLU A 33 -0.323 -11.549 14.982 1.00 73.30 N ATOM 523 CA GLU A 33 -0.424 -12.040 16.338 1.00 30.14 C ATOM 524 C GLU A 33 -1.840 -11.821 16.888 1.00 74.34 C ATOM 525 O GLU A 33 -2.280 -12.514 17.802 1.00 1.42 O ATOM 526 CB GLU A 33 0.609 -11.362 17.229 1.00 70.41 C ATOM 527 CG GLU A 33 2.053 -11.511 16.743 1.00 30.02 C ATOM 528 CD GLU A 33 2.481 -12.946 16.569 1.00 43.10 C ATOM 529 OE1 GLU A 33 2.499 -13.442 15.416 1.00 71.15 O ATOM 530 OE2 GLU A 33 2.803 -13.597 17.581 1.00 71.13 O ATOM 0 H GLU A 33 0.257 -10.717 14.878 1.00 73.30 H new ATOM 0 HA GLU A 33 -0.222 -13.111 16.332 1.00 30.14 H new ATOM 0 HB2 GLU A 33 0.370 -10.301 17.301 1.00 70.41 H new ATOM 0 HB3 GLU A 33 0.532 -11.775 18.235 1.00 70.41 H new ATOM 0 HG2 GLU A 33 2.164 -10.989 15.793 1.00 30.02 H new ATOM 0 HG3 GLU A 33 2.720 -11.024 17.455 1.00 30.02 H new ATOM 537 N LYS A 34 -2.540 -10.852 16.326 1.00 73.01 N ATOM 538 CA LYS A 34 -3.910 -10.540 16.729 1.00 74.34 C ATOM 539 C LYS A 34 -4.942 -11.300 15.910 1.00 62.23 C ATOM 540 O LYS A 34 -6.128 -11.276 16.227 1.00 3.02 O ATOM 541 CB LYS A 34 -4.160 -9.046 16.629 1.00 13.32 C ATOM 542 CG LYS A 34 -3.429 -8.226 17.665 1.00 44.12 C ATOM 543 CD LYS A 34 -3.957 -8.499 19.071 1.00 54.03 C ATOM 544 CE LYS A 34 -5.385 -8.017 19.227 1.00 52.03 C ATOM 545 NZ LYS A 34 -5.926 -8.289 20.573 1.00 42.13 N ATOM 0 H LYS A 34 -2.181 -10.258 15.579 1.00 73.01 H new ATOM 0 HA LYS A 34 -4.021 -10.859 17.765 1.00 74.34 H new ATOM 0 HB2 LYS A 34 -3.864 -8.705 15.637 1.00 13.32 H new ATOM 0 HB3 LYS A 34 -5.230 -8.861 16.724 1.00 13.32 H new ATOM 0 HG2 LYS A 34 -2.364 -8.454 17.625 1.00 44.12 H new ATOM 0 HG3 LYS A 34 -3.537 -7.166 17.434 1.00 44.12 H new ATOM 0 HD2 LYS A 34 -3.907 -9.568 19.279 1.00 54.03 H new ATOM 0 HD3 LYS A 34 -3.321 -8.002 19.803 1.00 54.03 H new ATOM 0 HE2 LYS A 34 -5.428 -6.946 19.031 1.00 52.03 H new ATOM 0 HE3 LYS A 34 -6.013 -8.503 18.481 1.00 52.03 H new ATOM 0 HZ1 LYS A 34 -6.904 -7.941 20.631 1.00 42.13 H new ATOM 0 HZ2 LYS A 34 -5.911 -9.313 20.753 1.00 42.13 H new ATOM 0 HZ3 LYS A 34 -5.344 -7.804 21.286 1.00 42.13 H new ATOM 559 N GLY A 35 -4.496 -11.953 14.868 1.00 13.10 N ATOM 560 CA GLY A 35 -5.389 -12.739 14.047 1.00 43.10 C ATOM 561 C GLY A 35 -6.174 -11.907 13.049 1.00 51.31 C ATOM 562 O GLY A 35 -7.205 -12.348 12.547 1.00 54.24 O ATOM 0 H GLY A 35 -3.522 -11.958 14.566 1.00 13.10 H new ATOM 0 HA2 GLY A 35 -4.810 -13.490 13.509 1.00 43.10 H new ATOM 0 HA3 GLY A 35 -6.086 -13.275 14.691 1.00 43.10 H new ATOM 566 N TYR A 36 -5.697 -10.712 12.758 1.00 14.43 N ATOM 567 CA TYR A 36 -6.360 -9.853 11.781 1.00 64.41 C ATOM 568 C TYR A 36 -5.635 -9.965 10.457 1.00 23.43 C ATOM 569 O TYR A 36 -4.608 -10.631 10.369 1.00 55.35 O ATOM 570 CB TYR A 36 -6.349 -8.373 12.200 1.00 52.15 C ATOM 571 CG TYR A 36 -7.042 -8.021 13.490 1.00 14.21 C ATOM 572 CD1 TYR A 36 -6.322 -7.490 14.542 1.00 13.20 C ATOM 573 CD2 TYR A 36 -8.414 -8.174 13.644 1.00 42.11 C ATOM 574 CE1 TYR A 36 -6.934 -7.128 15.717 1.00 74.43 C ATOM 575 CE2 TYR A 36 -9.041 -7.805 14.821 1.00 61.40 C ATOM 576 CZ TYR A 36 -8.290 -7.283 15.855 1.00 33.13 C ATOM 577 OH TYR A 36 -8.899 -6.905 17.029 1.00 61.30 O ATOM 0 H TYR A 36 -4.859 -10.311 13.178 1.00 14.43 H new ATOM 0 HA TYR A 36 -7.396 -10.183 11.707 1.00 64.41 H new ATOM 0 HB2 TYR A 36 -5.311 -8.050 12.275 1.00 52.15 H new ATOM 0 HB3 TYR A 36 -6.807 -7.791 11.400 1.00 52.15 H new ATOM 0 HD1 TYR A 36 -5.255 -7.357 14.439 1.00 13.20 H new ATOM 0 HD2 TYR A 36 -8.999 -8.586 12.835 1.00 42.11 H new ATOM 0 HE1 TYR A 36 -6.350 -6.723 16.530 1.00 74.43 H new ATOM 0 HE2 TYR A 36 -10.109 -7.924 14.930 1.00 61.40 H new ATOM 0 HH TYR A 36 -9.862 -7.078 16.968 1.00 61.30 H new ATOM 587 N ASN A 37 -6.154 -9.314 9.443 1.00 70.33 N ATOM 588 CA ASN A 37 -5.509 -9.279 8.140 1.00 54.32 C ATOM 589 C ASN A 37 -4.691 -8.004 8.015 1.00 51.02 C ATOM 590 O ASN A 37 -5.254 -6.919 7.813 1.00 60.52 O ATOM 591 CB ASN A 37 -6.534 -9.363 6.992 1.00 65.32 C ATOM 592 CG ASN A 37 -7.284 -10.682 6.950 1.00 30.02 C ATOM 593 OD1 ASN A 37 -8.327 -10.840 7.581 1.00 70.31 O ATOM 594 ND2 ASN A 37 -6.774 -11.630 6.195 1.00 35.10 N ATOM 0 H ASN A 37 -7.030 -8.794 9.491 1.00 70.33 H new ATOM 0 HA ASN A 37 -4.857 -10.149 8.061 1.00 54.32 H new ATOM 0 HB2 ASN A 37 -7.251 -8.549 7.095 1.00 65.32 H new ATOM 0 HB3 ASN A 37 -6.019 -9.216 6.043 1.00 65.32 H new ATOM 0 HD21 ASN A 37 -7.246 -12.531 6.119 1.00 35.10 H new ATOM 0 HD22 ASN A 37 -5.906 -11.464 5.685 1.00 35.10 H new ATOM 601 N PRO A 38 -3.339 -8.111 8.148 1.00 23.54 N ATOM 602 CA PRO A 38 -2.428 -6.953 8.115 1.00 70.15 C ATOM 603 C PRO A 38 -2.633 -6.077 6.902 1.00 13.34 C ATOM 604 O PRO A 38 -2.677 -4.862 7.008 1.00 43.03 O ATOM 605 CB PRO A 38 -1.041 -7.601 8.036 1.00 31.40 C ATOM 606 CG PRO A 38 -1.204 -8.933 8.671 1.00 61.53 C ATOM 607 CD PRO A 38 -2.600 -9.379 8.359 1.00 21.52 C ATOM 0 HA PRO A 38 -2.584 -6.303 8.976 1.00 70.15 H new ATOM 0 HB2 PRO A 38 -0.707 -7.694 7.003 1.00 31.40 H new ATOM 0 HB3 PRO A 38 -0.295 -7.003 8.559 1.00 31.40 H new ATOM 0 HG2 PRO A 38 -0.473 -9.642 8.281 1.00 61.53 H new ATOM 0 HG3 PRO A 38 -1.047 -8.872 9.748 1.00 61.53 H new ATOM 0 HD2 PRO A 38 -2.629 -10.011 7.471 1.00 21.52 H new ATOM 0 HD3 PRO A 38 -3.027 -9.959 9.177 1.00 21.52 H new ATOM 615 N ILE A 39 -2.833 -6.712 5.771 1.00 54.35 N ATOM 616 CA ILE A 39 -2.942 -6.023 4.502 1.00 70.22 C ATOM 617 C ILE A 39 -4.132 -5.075 4.465 1.00 3.41 C ATOM 618 O ILE A 39 -3.987 -3.915 4.102 1.00 64.31 O ATOM 619 CB ILE A 39 -3.036 -7.035 3.333 1.00 43.13 C ATOM 620 CG1 ILE A 39 -1.810 -7.958 3.331 1.00 73.21 C ATOM 621 CG2 ILE A 39 -3.169 -6.321 1.990 1.00 42.21 C ATOM 622 CD1 ILE A 39 -0.487 -7.225 3.214 1.00 70.34 C ATOM 0 H ILE A 39 -2.925 -7.725 5.703 1.00 54.35 H new ATOM 0 HA ILE A 39 -2.037 -5.426 4.387 1.00 70.22 H new ATOM 0 HB ILE A 39 -3.932 -7.638 3.479 1.00 43.13 H new ATOM 0 HG12 ILE A 39 -1.808 -8.545 4.249 1.00 73.21 H new ATOM 0 HG13 ILE A 39 -1.899 -8.661 2.503 1.00 73.21 H new ATOM 0 HG21 ILE A 39 -3.233 -7.059 1.190 1.00 42.21 H new ATOM 0 HG22 ILE A 39 -4.071 -5.709 1.991 1.00 42.21 H new ATOM 0 HG23 ILE A 39 -2.299 -5.685 1.828 1.00 42.21 H new ATOM 0 HD11 ILE A 39 0.330 -7.946 3.220 1.00 70.34 H new ATOM 0 HD12 ILE A 39 -0.465 -6.660 2.282 1.00 70.34 H new ATOM 0 HD13 ILE A 39 -0.374 -6.542 4.056 1.00 70.34 H new ATOM 634 N ASN A 40 -5.283 -5.559 4.892 1.00 21.31 N ATOM 635 CA ASN A 40 -6.518 -4.785 4.821 1.00 14.32 C ATOM 636 C ASN A 40 -6.496 -3.567 5.704 1.00 3.25 C ATOM 637 O ASN A 40 -7.011 -2.509 5.331 1.00 72.04 O ATOM 638 CB ASN A 40 -7.740 -5.640 5.109 1.00 63.21 C ATOM 639 CG ASN A 40 -7.920 -6.717 4.076 1.00 21.21 C ATOM 640 OD1 ASN A 40 -7.401 -7.823 4.222 1.00 11.33 O ATOM 641 ND2 ASN A 40 -8.638 -6.414 3.025 1.00 2.11 N ATOM 0 H ASN A 40 -5.393 -6.490 5.295 1.00 21.31 H new ATOM 0 HA ASN A 40 -6.588 -4.431 3.792 1.00 14.32 H new ATOM 0 HB2 ASN A 40 -7.642 -6.094 6.095 1.00 63.21 H new ATOM 0 HB3 ASN A 40 -8.628 -5.009 5.135 1.00 63.21 H new ATOM 0 HD21 ASN A 40 -8.784 -7.106 2.290 1.00 2.11 H new ATOM 0 HD22 ASN A 40 -9.052 -5.486 2.941 1.00 2.11 H new ATOM 648 N GLN A 41 -5.918 -3.689 6.863 1.00 55.25 N ATOM 649 CA GLN A 41 -5.829 -2.554 7.733 1.00 61.24 C ATOM 650 C GLN A 41 -4.774 -1.556 7.244 1.00 3.42 C ATOM 651 O GLN A 41 -4.941 -0.353 7.405 1.00 42.51 O ATOM 652 CB GLN A 41 -5.635 -2.965 9.176 1.00 41.21 C ATOM 653 CG GLN A 41 -6.786 -3.832 9.718 1.00 12.00 C ATOM 654 CD GLN A 41 -8.154 -3.152 9.702 1.00 1.02 C ATOM 655 OE1 GLN A 41 -9.176 -3.810 9.550 1.00 4.25 O ATOM 656 NE2 GLN A 41 -8.189 -1.863 9.915 1.00 20.11 N ATOM 0 H GLN A 41 -5.507 -4.550 7.224 1.00 55.25 H new ATOM 0 HA GLN A 41 -6.785 -2.031 7.698 1.00 61.24 H new ATOM 0 HB2 GLN A 41 -4.699 -3.516 9.268 1.00 41.21 H new ATOM 0 HB3 GLN A 41 -5.540 -2.071 9.792 1.00 41.21 H new ATOM 0 HG2 GLN A 41 -6.843 -4.747 9.129 1.00 12.00 H new ATOM 0 HG3 GLN A 41 -6.552 -4.125 10.741 1.00 12.00 H new ATOM 0 HE21 GLN A 41 -7.320 -1.343 10.038 1.00 20.11 H new ATOM 0 HE22 GLN A 41 -9.085 -1.377 9.959 1.00 20.11 H new ATOM 665 N ILE A 42 -3.693 -2.065 6.631 1.00 30.11 N ATOM 666 CA ILE A 42 -2.661 -1.190 6.055 1.00 1.33 C ATOM 667 C ILE A 42 -3.238 -0.376 4.890 1.00 14.53 C ATOM 668 O ILE A 42 -3.132 0.853 4.878 1.00 4.21 O ATOM 669 CB ILE A 42 -1.380 -1.971 5.601 1.00 3.32 C ATOM 670 CG1 ILE A 42 -0.679 -2.603 6.814 1.00 31.00 C ATOM 671 CG2 ILE A 42 -0.412 -1.050 4.846 1.00 3.43 C ATOM 672 CD1 ILE A 42 0.557 -3.418 6.469 1.00 12.14 C ATOM 0 H ILE A 42 -3.513 -3.063 6.523 1.00 30.11 H new ATOM 0 HA ILE A 42 -2.347 -0.511 6.848 1.00 1.33 H new ATOM 0 HB ILE A 42 -1.692 -2.765 4.923 1.00 3.32 H new ATOM 0 HG12 ILE A 42 -0.396 -1.812 7.508 1.00 31.00 H new ATOM 0 HG13 ILE A 42 -1.389 -3.245 7.335 1.00 31.00 H new ATOM 0 HG21 ILE A 42 0.468 -1.617 4.543 1.00 3.43 H new ATOM 0 HG22 ILE A 42 -0.907 -0.648 3.962 1.00 3.43 H new ATOM 0 HG23 ILE A 42 -0.108 -0.230 5.496 1.00 3.43 H new ATOM 0 HD11 ILE A 42 0.989 -3.828 7.382 1.00 12.14 H new ATOM 0 HD12 ILE A 42 0.280 -4.234 5.801 1.00 12.14 H new ATOM 0 HD13 ILE A 42 1.289 -2.778 5.976 1.00 12.14 H new ATOM 684 N VAL A 43 -3.877 -1.059 3.927 1.00 74.44 N ATOM 685 CA VAL A 43 -4.520 -0.364 2.802 1.00 2.44 C ATOM 686 C VAL A 43 -5.554 0.647 3.315 1.00 45.25 C ATOM 687 O VAL A 43 -5.618 1.792 2.836 1.00 71.22 O ATOM 688 CB VAL A 43 -5.138 -1.351 1.727 1.00 42.44 C ATOM 689 CG1 VAL A 43 -6.038 -2.364 2.368 1.00 61.21 C ATOM 690 CG2 VAL A 43 -5.939 -0.590 0.686 1.00 63.51 C ATOM 0 H VAL A 43 -3.962 -2.075 3.904 1.00 74.44 H new ATOM 0 HA VAL A 43 -3.737 0.182 2.276 1.00 2.44 H new ATOM 0 HB VAL A 43 -4.300 -1.860 1.250 1.00 42.44 H new ATOM 0 HG11 VAL A 43 -6.445 -3.025 1.603 1.00 61.21 H new ATOM 0 HG12 VAL A 43 -5.470 -2.951 3.090 1.00 61.21 H new ATOM 0 HG13 VAL A 43 -6.855 -1.854 2.878 1.00 61.21 H new ATOM 0 HG21 VAL A 43 -6.352 -1.291 -0.039 1.00 63.51 H new ATOM 0 HG22 VAL A 43 -6.752 -0.052 1.174 1.00 63.51 H new ATOM 0 HG23 VAL A 43 -5.289 0.120 0.175 1.00 63.51 H new ATOM 700 N GLY A 44 -6.311 0.236 4.333 1.00 61.15 N ATOM 701 CA GLY A 44 -7.277 1.109 4.943 1.00 2.05 C ATOM 702 C GLY A 44 -6.616 2.325 5.568 1.00 11.34 C ATOM 703 O GLY A 44 -7.129 3.436 5.464 1.00 61.11 O ATOM 0 H GLY A 44 -6.264 -0.697 4.742 1.00 61.15 H new ATOM 0 HA2 GLY A 44 -8.000 1.432 4.194 1.00 2.05 H new ATOM 0 HA3 GLY A 44 -7.831 0.563 5.706 1.00 2.05 H new ATOM 707 N TYR A 45 -5.463 2.119 6.203 1.00 54.20 N ATOM 708 CA TYR A 45 -4.731 3.203 6.829 1.00 71.34 C ATOM 709 C TYR A 45 -4.210 4.197 5.813 1.00 1.22 C ATOM 710 O TYR A 45 -4.483 5.388 5.922 1.00 43.13 O ATOM 711 CB TYR A 45 -3.557 2.711 7.709 1.00 15.10 C ATOM 712 CG TYR A 45 -2.757 3.875 8.287 1.00 20.42 C ATOM 713 CD1 TYR A 45 -1.592 4.334 7.675 1.00 44.52 C ATOM 714 CD2 TYR A 45 -3.190 4.535 9.408 1.00 33.32 C ATOM 715 CE1 TYR A 45 -0.901 5.405 8.178 1.00 32.31 C ATOM 716 CE2 TYR A 45 -2.506 5.615 9.906 1.00 2.52 C ATOM 717 CZ TYR A 45 -1.367 6.040 9.292 1.00 4.01 C ATOM 718 OH TYR A 45 -0.709 7.131 9.782 1.00 24.54 O ATOM 0 H TYR A 45 -5.020 1.205 6.294 1.00 54.20 H new ATOM 0 HA TYR A 45 -5.455 3.698 7.476 1.00 71.34 H new ATOM 0 HB2 TYR A 45 -3.944 2.097 8.522 1.00 15.10 H new ATOM 0 HB3 TYR A 45 -2.899 2.076 7.116 1.00 15.10 H new ATOM 0 HD1 TYR A 45 -1.227 3.837 6.788 1.00 44.52 H new ATOM 0 HD2 TYR A 45 -4.086 4.199 9.908 1.00 33.32 H new ATOM 0 HE1 TYR A 45 0.005 5.744 7.697 1.00 32.31 H new ATOM 0 HE2 TYR A 45 -2.870 6.128 10.784 1.00 2.52 H new ATOM 0 HH TYR A 45 0.063 7.330 9.213 1.00 24.54 H new ATOM 728 N LEU A 46 -3.457 3.723 4.834 1.00 60.24 N ATOM 729 CA LEU A 46 -2.842 4.628 3.870 1.00 44.32 C ATOM 730 C LEU A 46 -3.848 5.432 3.071 1.00 31.12 C ATOM 731 O LEU A 46 -3.605 6.598 2.759 1.00 13.20 O ATOM 732 CB LEU A 46 -1.756 3.992 2.977 1.00 22.10 C ATOM 733 CG LEU A 46 -0.408 3.621 3.656 1.00 53.50 C ATOM 734 CD1 LEU A 46 -0.540 2.467 4.615 1.00 62.02 C ATOM 735 CD2 LEU A 46 0.661 3.341 2.624 1.00 52.35 C ATOM 0 H LEU A 46 -3.257 2.734 4.684 1.00 60.24 H new ATOM 0 HA LEU A 46 -2.303 5.337 4.498 1.00 44.32 H new ATOM 0 HB2 LEU A 46 -2.171 3.087 2.532 1.00 22.10 H new ATOM 0 HB3 LEU A 46 -1.544 4.681 2.159 1.00 22.10 H new ATOM 0 HG LEU A 46 -0.106 4.488 4.243 1.00 53.50 H new ATOM 0 HD11 LEU A 46 0.431 2.251 5.060 1.00 62.02 H new ATOM 0 HD12 LEU A 46 -1.250 2.726 5.401 1.00 62.02 H new ATOM 0 HD13 LEU A 46 -0.897 1.588 4.079 1.00 62.02 H new ATOM 0 HD21 LEU A 46 1.593 3.084 3.127 1.00 52.35 H new ATOM 0 HD22 LEU A 46 0.348 2.510 1.992 1.00 52.35 H new ATOM 0 HD23 LEU A 46 0.813 4.227 2.008 1.00 52.35 H new ATOM 747 N LEU A 47 -4.977 4.833 2.768 1.00 70.43 N ATOM 748 CA LEU A 47 -6.006 5.525 2.011 1.00 23.13 C ATOM 749 C LEU A 47 -6.876 6.421 2.913 1.00 55.21 C ATOM 750 O LEU A 47 -7.787 7.103 2.423 1.00 25.54 O ATOM 751 CB LEU A 47 -6.897 4.528 1.249 1.00 33.05 C ATOM 752 CG LEU A 47 -6.189 3.592 0.254 1.00 14.41 C ATOM 753 CD1 LEU A 47 -7.195 2.709 -0.460 1.00 72.41 C ATOM 754 CD2 LEU A 47 -5.361 4.374 -0.746 1.00 24.24 C ATOM 0 H LEU A 47 -5.209 3.875 3.030 1.00 70.43 H new ATOM 0 HA LEU A 47 -5.494 6.164 1.291 1.00 23.13 H new ATOM 0 HB2 LEU A 47 -7.423 3.913 1.980 1.00 33.05 H new ATOM 0 HB3 LEU A 47 -7.653 5.094 0.705 1.00 33.05 H new ATOM 0 HG LEU A 47 -5.511 2.955 0.822 1.00 14.41 H new ATOM 0 HD11 LEU A 47 -6.674 2.055 -1.159 1.00 72.41 H new ATOM 0 HD12 LEU A 47 -7.732 2.105 0.271 1.00 72.41 H new ATOM 0 HD13 LEU A 47 -7.903 3.332 -1.006 1.00 72.41 H new ATOM 0 HD21 LEU A 47 -4.874 3.683 -1.434 1.00 24.24 H new ATOM 0 HD22 LEU A 47 -6.009 5.048 -1.306 1.00 24.24 H new ATOM 0 HD23 LEU A 47 -4.604 4.953 -0.218 1.00 24.24 H new ATOM 766 N SER A 48 -6.597 6.445 4.217 1.00 12.31 N ATOM 767 CA SER A 48 -7.427 7.228 5.123 1.00 24.43 C ATOM 768 C SER A 48 -6.616 8.189 6.028 1.00 32.15 C ATOM 769 O SER A 48 -7.145 9.200 6.469 1.00 23.20 O ATOM 770 CB SER A 48 -8.264 6.289 5.993 1.00 70.11 C ATOM 771 OG SER A 48 -8.981 5.353 5.187 1.00 33.32 O ATOM 0 H SER A 48 -5.824 5.945 4.657 1.00 12.31 H new ATOM 0 HA SER A 48 -8.068 7.851 4.499 1.00 24.43 H new ATOM 0 HB2 SER A 48 -7.615 5.755 6.688 1.00 70.11 H new ATOM 0 HB3 SER A 48 -8.964 6.870 6.593 1.00 70.11 H new ATOM 0 HG SER A 48 -8.551 4.474 5.246 1.00 33.32 H new ATOM 777 N GLY A 49 -5.334 7.894 6.281 1.00 11.32 N ATOM 778 CA GLY A 49 -4.573 8.702 7.206 1.00 72.02 C ATOM 779 C GLY A 49 -5.075 8.586 8.647 1.00 53.00 C ATOM 780 O GLY A 49 -4.844 9.477 9.468 1.00 1.44 O ATOM 0 H GLY A 49 -4.823 7.117 5.862 1.00 11.32 H new ATOM 0 HA2 GLY A 49 -3.526 8.403 7.166 1.00 72.02 H new ATOM 0 HA3 GLY A 49 -4.619 9.745 6.893 1.00 72.02 H new ATOM 784 N ASP A 50 -5.737 7.480 8.963 1.00 31.21 N ATOM 785 CA ASP A 50 -6.333 7.310 10.288 1.00 73.24 C ATOM 786 C ASP A 50 -5.666 6.185 11.088 1.00 63.23 C ATOM 787 O ASP A 50 -5.787 5.013 10.742 1.00 1.54 O ATOM 788 CB ASP A 50 -7.833 7.070 10.174 1.00 2.23 C ATOM 789 CG ASP A 50 -8.490 6.857 11.517 1.00 54.32 C ATOM 790 OD1 ASP A 50 -8.893 7.848 12.162 1.00 52.55 O ATOM 791 OD2 ASP A 50 -8.618 5.707 11.950 1.00 31.35 O ATOM 0 H ASP A 50 -5.876 6.693 8.329 1.00 31.21 H new ATOM 0 HA ASP A 50 -6.163 8.237 10.836 1.00 73.24 H new ATOM 0 HB2 ASP A 50 -8.297 7.922 9.678 1.00 2.23 H new ATOM 0 HB3 ASP A 50 -8.011 6.198 9.544 1.00 2.23 H new ATOM 796 N PRO A 51 -4.947 6.543 12.178 1.00 45.13 N ATOM 797 CA PRO A 51 -4.205 5.594 13.043 1.00 74.33 C ATOM 798 C PRO A 51 -5.043 4.451 13.630 1.00 61.55 C ATOM 799 O PRO A 51 -4.495 3.407 13.995 1.00 34.44 O ATOM 800 CB PRO A 51 -3.634 6.473 14.163 1.00 22.53 C ATOM 801 CG PRO A 51 -4.410 7.739 14.095 1.00 51.31 C ATOM 802 CD PRO A 51 -4.781 7.925 12.662 1.00 63.44 C ATOM 0 HA PRO A 51 -3.452 5.072 12.452 1.00 74.33 H new ATOM 0 HB2 PRO A 51 -3.745 5.994 15.136 1.00 22.53 H new ATOM 0 HB3 PRO A 51 -2.569 6.655 14.017 1.00 22.53 H new ATOM 0 HG2 PRO A 51 -5.299 7.684 14.723 1.00 51.31 H new ATOM 0 HG3 PRO A 51 -3.816 8.579 14.455 1.00 51.31 H new ATOM 0 HD2 PRO A 51 -5.699 8.503 12.555 1.00 63.44 H new ATOM 0 HD3 PRO A 51 -4.005 8.455 12.110 1.00 63.44 H new ATOM 810 N ALA A 52 -6.354 4.642 13.742 1.00 53.33 N ATOM 811 CA ALA A 52 -7.228 3.629 14.332 1.00 44.42 C ATOM 812 C ALA A 52 -7.355 2.385 13.440 1.00 21.34 C ATOM 813 O ALA A 52 -7.887 1.359 13.866 1.00 12.34 O ATOM 814 CB ALA A 52 -8.591 4.203 14.683 1.00 70.22 C ATOM 0 H ALA A 52 -6.835 5.487 13.433 1.00 53.33 H new ATOM 0 HA ALA A 52 -6.757 3.308 15.261 1.00 44.42 H new ATOM 0 HB1 ALA A 52 -9.214 3.422 15.119 1.00 70.22 H new ATOM 0 HB2 ALA A 52 -8.470 5.014 15.401 1.00 70.22 H new ATOM 0 HB3 ALA A 52 -9.068 4.586 13.781 1.00 70.22 H new ATOM 820 N TYR A 53 -6.897 2.489 12.197 1.00 70.13 N ATOM 821 CA TYR A 53 -6.863 1.339 11.308 1.00 0.23 C ATOM 822 C TYR A 53 -5.876 0.280 11.763 1.00 72.40 C ATOM 823 O TYR A 53 -6.087 -0.903 11.537 1.00 61.44 O ATOM 824 CB TYR A 53 -6.614 1.742 9.866 1.00 60.42 C ATOM 825 CG TYR A 53 -7.860 2.248 9.228 1.00 11.30 C ATOM 826 CD1 TYR A 53 -8.682 1.378 8.551 1.00 74.34 C ATOM 827 CD2 TYR A 53 -8.240 3.566 9.325 1.00 72.42 C ATOM 828 CE1 TYR A 53 -9.846 1.801 7.986 1.00 21.24 C ATOM 829 CE2 TYR A 53 -9.410 4.007 8.757 1.00 21.42 C ATOM 830 CZ TYR A 53 -10.213 3.119 8.085 1.00 11.25 C ATOM 831 OH TYR A 53 -11.397 3.551 7.518 1.00 10.43 O ATOM 0 H TYR A 53 -6.546 3.354 11.786 1.00 70.13 H new ATOM 0 HA TYR A 53 -7.855 0.889 11.357 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -5.844 2.512 9.828 1.00 60.42 H new ATOM 0 HB3 TYR A 53 -6.237 0.886 9.306 1.00 60.42 H new ATOM 0 HD1 TYR A 53 -8.399 0.339 8.466 1.00 74.34 H new ATOM 0 HD2 TYR A 53 -7.609 4.264 9.855 1.00 72.42 H new ATOM 0 HE1 TYR A 53 -10.479 1.101 7.461 1.00 21.24 H new ATOM 0 HE2 TYR A 53 -9.696 5.045 8.838 1.00 21.42 H new ATOM 0 HH TYR A 53 -11.506 4.511 7.681 1.00 10.43 H new ATOM 841 N ILE A 54 -4.821 0.690 12.424 1.00 71.25 N ATOM 842 CA ILE A 54 -3.847 -0.257 12.929 1.00 4.34 C ATOM 843 C ILE A 54 -4.050 -0.440 14.439 1.00 62.14 C ATOM 844 O ILE A 54 -4.207 0.546 15.170 1.00 73.45 O ATOM 845 CB ILE A 54 -2.380 0.206 12.623 1.00 73.30 C ATOM 846 CG1 ILE A 54 -2.176 0.387 11.105 1.00 71.32 C ATOM 847 CG2 ILE A 54 -1.349 -0.780 13.184 1.00 24.41 C ATOM 848 CD1 ILE A 54 -2.426 -0.866 10.276 1.00 71.00 C ATOM 0 H ILE A 54 -4.612 1.668 12.626 1.00 71.25 H new ATOM 0 HA ILE A 54 -3.998 -1.210 12.423 1.00 4.34 H new ATOM 0 HB ILE A 54 -2.228 1.165 13.117 1.00 73.30 H new ATOM 0 HG12 ILE A 54 -2.840 1.177 10.754 1.00 71.32 H new ATOM 0 HG13 ILE A 54 -1.156 0.726 10.927 1.00 71.32 H new ATOM 0 HG21 ILE A 54 -0.344 -0.426 12.953 1.00 24.41 H new ATOM 0 HG22 ILE A 54 -1.468 -0.855 14.265 1.00 24.41 H new ATOM 0 HG23 ILE A 54 -1.501 -1.761 12.734 1.00 24.41 H new ATOM 0 HD11 ILE A 54 -2.259 -0.644 9.222 1.00 71.00 H new ATOM 0 HD12 ILE A 54 -1.744 -1.655 10.594 1.00 71.00 H new ATOM 0 HD13 ILE A 54 -3.455 -1.197 10.418 1.00 71.00 H new ATOM 860 N PRO A 55 -4.120 -1.697 14.920 1.00 44.42 N ATOM 861 CA PRO A 55 -4.259 -1.985 16.348 1.00 3.41 C ATOM 862 C PRO A 55 -3.000 -1.587 17.137 1.00 75.34 C ATOM 863 O PRO A 55 -1.894 -1.518 16.587 1.00 12.00 O ATOM 864 CB PRO A 55 -4.470 -3.508 16.403 1.00 3.23 C ATOM 865 CG PRO A 55 -3.908 -4.022 15.127 1.00 62.23 C ATOM 866 CD PRO A 55 -4.100 -2.928 14.109 1.00 70.52 C ATOM 0 HA PRO A 55 -5.077 -1.422 16.798 1.00 3.41 H new ATOM 0 HB2 PRO A 55 -3.962 -3.946 17.262 1.00 3.23 H new ATOM 0 HB3 PRO A 55 -5.527 -3.757 16.497 1.00 3.23 H new ATOM 0 HG2 PRO A 55 -2.852 -4.268 15.239 1.00 62.23 H new ATOM 0 HG3 PRO A 55 -4.417 -4.935 14.818 1.00 62.23 H new ATOM 0 HD2 PRO A 55 -3.291 -2.914 13.379 1.00 70.52 H new ATOM 0 HD3 PRO A 55 -5.029 -3.057 13.553 1.00 70.52 H new ATOM 874 N ARG A 56 -3.161 -1.359 18.416 1.00 63.54 N ATOM 875 CA ARG A 56 -2.052 -0.914 19.251 1.00 44.51 C ATOM 876 C ARG A 56 -1.466 -2.052 20.066 1.00 33.21 C ATOM 877 O ARG A 56 -0.790 -1.825 21.073 1.00 35.13 O ATOM 878 CB ARG A 56 -2.398 0.309 20.157 1.00 54.42 C ATOM 879 CG ARG A 56 -3.559 0.154 21.142 1.00 71.25 C ATOM 880 CD ARG A 56 -4.913 0.201 20.460 1.00 72.44 C ATOM 881 NE ARG A 56 -6.004 0.064 21.414 1.00 71.40 N ATOM 882 CZ ARG A 56 -7.293 0.245 21.130 1.00 34.02 C ATOM 883 NH1 ARG A 56 -7.672 0.536 19.892 1.00 61.22 N ATOM 884 NH2 ARG A 56 -8.196 0.129 22.088 1.00 54.12 N ATOM 0 H ARG A 56 -4.046 -1.472 18.911 1.00 63.54 H new ATOM 0 HA ARG A 56 -1.289 -0.566 18.554 1.00 44.51 H new ATOM 0 HB2 ARG A 56 -1.506 0.568 20.727 1.00 54.42 H new ATOM 0 HB3 ARG A 56 -2.619 1.156 19.508 1.00 54.42 H new ATOM 0 HG2 ARG A 56 -3.456 -0.793 21.673 1.00 71.25 H new ATOM 0 HG3 ARG A 56 -3.505 0.946 21.889 1.00 71.25 H new ATOM 0 HD2 ARG A 56 -5.017 1.143 19.922 1.00 72.44 H new ATOM 0 HD3 ARG A 56 -4.975 -0.597 19.720 1.00 72.44 H new ATOM 0 HE ARG A 56 -5.763 -0.190 22.372 1.00 71.40 H new ATOM 0 HH11 ARG A 56 -6.975 0.622 19.152 1.00 61.22 H new ATOM 0 HH12 ARG A 56 -8.660 0.674 19.680 1.00 61.22 H new ATOM 0 HH21 ARG A 56 -7.905 -0.098 23.039 1.00 54.12 H new ATOM 0 HH22 ARG A 56 -9.184 0.266 21.877 1.00 54.12 H new ATOM 898 N TYR A 57 -1.699 -3.279 19.609 1.00 40.12 N ATOM 899 CA TYR A 57 -1.110 -4.462 20.216 1.00 34.45 C ATOM 900 C TYR A 57 0.416 -4.321 20.275 1.00 33.53 C ATOM 901 O TYR A 57 1.044 -4.629 21.295 1.00 41.02 O ATOM 902 CB TYR A 57 -1.507 -5.696 19.413 1.00 14.12 C ATOM 903 CG TYR A 57 -0.965 -7.011 19.941 1.00 41.11 C ATOM 904 CD1 TYR A 57 -1.403 -7.528 21.147 1.00 34.10 C ATOM 905 CD2 TYR A 57 -0.028 -7.737 19.220 1.00 31.30 C ATOM 906 CE1 TYR A 57 -0.925 -8.728 21.625 1.00 24.20 C ATOM 907 CE2 TYR A 57 0.452 -8.941 19.688 1.00 3.33 C ATOM 908 CZ TYR A 57 0.001 -9.432 20.889 1.00 13.25 C ATOM 909 OH TYR A 57 0.472 -10.641 21.359 1.00 44.03 O ATOM 0 H TYR A 57 -2.300 -3.478 18.809 1.00 40.12 H new ATOM 0 HA TYR A 57 -1.481 -4.570 21.235 1.00 34.45 H new ATOM 0 HB2 TYR A 57 -2.595 -5.756 19.383 1.00 14.12 H new ATOM 0 HB3 TYR A 57 -1.166 -5.567 18.386 1.00 14.12 H new ATOM 0 HD1 TYR A 57 -2.133 -6.981 21.724 1.00 34.10 H new ATOM 0 HD2 TYR A 57 0.331 -7.352 18.277 1.00 31.30 H new ATOM 0 HE1 TYR A 57 -1.274 -9.114 22.571 1.00 24.20 H new ATOM 0 HE2 TYR A 57 1.179 -9.496 19.113 1.00 3.33 H new ATOM 0 HH TYR A 57 1.118 -11.010 20.722 1.00 44.03 H new ATOM 919 N GLN A 58 0.982 -3.819 19.189 1.00 2.40 N ATOM 920 CA GLN A 58 2.395 -3.566 19.078 1.00 74.40 C ATOM 921 C GLN A 58 2.596 -2.062 18.951 1.00 5.25 C ATOM 922 O GLN A 58 1.620 -1.311 18.805 1.00 5.22 O ATOM 923 CB GLN A 58 2.976 -4.274 17.836 1.00 70.33 C ATOM 924 CG GLN A 58 2.848 -5.794 17.845 1.00 71.30 C ATOM 925 CD GLN A 58 3.616 -6.464 18.971 1.00 61.14 C ATOM 926 OE1 GLN A 58 3.101 -6.651 20.063 1.00 71.45 O ATOM 927 NE2 GLN A 58 4.837 -6.845 18.707 1.00 55.20 N ATOM 0 H GLN A 58 0.456 -3.574 18.350 1.00 2.40 H new ATOM 0 HA GLN A 58 2.909 -3.950 19.959 1.00 74.40 H new ATOM 0 HB2 GLN A 58 2.476 -3.887 16.948 1.00 70.33 H new ATOM 0 HB3 GLN A 58 4.031 -4.013 17.747 1.00 70.33 H new ATOM 0 HG2 GLN A 58 1.794 -6.061 17.927 1.00 71.30 H new ATOM 0 HG3 GLN A 58 3.203 -6.185 16.892 1.00 71.30 H new ATOM 0 HE21 GLN A 58 5.237 -6.673 17.784 1.00 55.20 H new ATOM 0 HE22 GLN A 58 5.391 -7.314 19.423 1.00 55.20 H new ATOM 936 N ASP A 59 3.831 -1.627 18.981 1.00 20.35 N ATOM 937 CA ASP A 59 4.175 -0.193 18.855 1.00 24.45 C ATOM 938 C ASP A 59 4.047 0.293 17.421 1.00 4.32 C ATOM 939 O ASP A 59 4.103 1.493 17.145 1.00 20.15 O ATOM 940 CB ASP A 59 5.547 0.165 19.464 1.00 53.14 C ATOM 941 CG ASP A 59 6.737 -0.538 18.849 1.00 63.03 C ATOM 942 OD1 ASP A 59 7.006 -1.695 19.219 1.00 71.24 O ATOM 943 OD2 ASP A 59 7.448 0.072 18.049 1.00 65.32 O ATOM 0 H ASP A 59 4.640 -2.238 19.092 1.00 20.35 H new ATOM 0 HA ASP A 59 3.438 0.344 19.452 1.00 24.45 H new ATOM 0 HB2 ASP A 59 5.696 1.241 19.372 1.00 53.14 H new ATOM 0 HB3 ASP A 59 5.523 -0.064 20.529 1.00 53.14 H new ATOM 948 N ALA A 60 3.878 -0.663 16.524 1.00 21.51 N ATOM 949 CA ALA A 60 3.730 -0.436 15.088 1.00 72.40 C ATOM 950 C ALA A 60 2.686 0.641 14.745 1.00 65.31 C ATOM 951 O ALA A 60 2.848 1.354 13.760 1.00 62.33 O ATOM 952 CB ALA A 60 3.351 -1.739 14.419 1.00 62.10 C ATOM 0 H ALA A 60 3.838 -1.650 16.778 1.00 21.51 H new ATOM 0 HA ALA A 60 4.688 -0.069 14.720 1.00 72.40 H new ATOM 0 HB1 ALA A 60 3.239 -1.578 13.347 1.00 62.10 H new ATOM 0 HB2 ALA A 60 4.132 -2.479 14.595 1.00 62.10 H new ATOM 0 HB3 ALA A 60 2.409 -2.100 14.832 1.00 62.10 H new ATOM 958 N ARG A 61 1.624 0.755 15.559 1.00 51.40 N ATOM 959 CA ARG A 61 0.585 1.759 15.327 1.00 53.13 C ATOM 960 C ARG A 61 1.179 3.166 15.386 1.00 31.12 C ATOM 961 O ARG A 61 0.893 4.007 14.535 1.00 44.13 O ATOM 962 CB ARG A 61 -0.534 1.640 16.356 1.00 12.34 C ATOM 963 CG ARG A 61 -1.689 2.596 16.106 1.00 34.22 C ATOM 964 CD ARG A 61 -2.714 2.521 17.211 1.00 51.21 C ATOM 965 NE ARG A 61 -3.882 3.367 16.944 1.00 31.52 N ATOM 966 CZ ARG A 61 -4.574 4.040 17.887 1.00 22.24 C ATOM 967 NH1 ARG A 61 -4.108 4.128 19.135 1.00 2.12 N ATOM 968 NH2 ARG A 61 -5.703 4.663 17.563 1.00 32.40 N ATOM 0 H ARG A 61 1.467 0.166 16.377 1.00 51.40 H new ATOM 0 HA ARG A 61 0.170 1.581 14.335 1.00 53.13 H new ATOM 0 HB2 ARG A 61 -0.912 0.618 16.354 1.00 12.34 H new ATOM 0 HB3 ARG A 61 -0.126 1.827 17.349 1.00 12.34 H new ATOM 0 HG2 ARG A 61 -1.310 3.615 16.028 1.00 34.22 H new ATOM 0 HG3 ARG A 61 -2.161 2.358 15.153 1.00 34.22 H new ATOM 0 HD2 ARG A 61 -3.037 1.487 17.334 1.00 51.21 H new ATOM 0 HD3 ARG A 61 -2.255 2.826 18.151 1.00 51.21 H new ATOM 0 HE ARG A 61 -4.193 3.453 15.977 1.00 31.52 H new ATOM 0 HH11 ARG A 61 -3.223 3.685 19.381 1.00 2.12 H new ATOM 0 HH12 ARG A 61 -4.637 4.639 19.842 1.00 2.12 H new ATOM 0 HH21 ARG A 61 -6.045 4.632 16.603 1.00 32.40 H new ATOM 0 HH22 ARG A 61 -6.227 5.172 18.275 1.00 32.40 H new ATOM 982 N ASN A 62 2.014 3.407 16.386 1.00 55.23 N ATOM 983 CA ASN A 62 2.670 4.697 16.534 1.00 65.11 C ATOM 984 C ASN A 62 3.632 4.894 15.397 1.00 30.24 C ATOM 985 O ASN A 62 3.642 5.940 14.759 1.00 51.45 O ATOM 986 CB ASN A 62 3.426 4.793 17.867 1.00 63.22 C ATOM 987 CG ASN A 62 4.152 6.128 18.048 1.00 33.41 C ATOM 988 OD1 ASN A 62 3.716 7.157 17.554 1.00 34.10 O ATOM 989 ND2 ASN A 62 5.260 6.112 18.738 1.00 20.50 N ATOM 0 H ASN A 62 2.253 2.726 17.107 1.00 55.23 H new ATOM 0 HA ASN A 62 1.906 5.474 16.523 1.00 65.11 H new ATOM 0 HB2 ASN A 62 2.723 4.654 18.688 1.00 63.22 H new ATOM 0 HB3 ASN A 62 4.150 3.981 17.927 1.00 63.22 H new ATOM 0 HD21 ASN A 62 5.787 6.974 18.877 1.00 20.50 H new ATOM 0 HD22 ASN A 62 5.599 5.237 19.138 1.00 20.50 H new ATOM 996 N LEU A 63 4.406 3.857 15.121 1.00 23.01 N ATOM 997 CA LEU A 63 5.404 3.877 14.069 1.00 5.34 C ATOM 998 C LEU A 63 4.801 4.246 12.712 1.00 24.11 C ATOM 999 O LEU A 63 5.309 5.130 12.025 1.00 2.15 O ATOM 1000 CB LEU A 63 6.112 2.523 13.960 1.00 62.33 C ATOM 1001 CG LEU A 63 6.881 2.030 15.190 1.00 54.35 C ATOM 1002 CD1 LEU A 63 7.514 0.683 14.893 1.00 25.40 C ATOM 1003 CD2 LEU A 63 7.952 3.032 15.589 1.00 51.23 C ATOM 0 H LEU A 63 4.357 2.972 15.626 1.00 23.01 H new ATOM 0 HA LEU A 63 6.129 4.644 14.341 1.00 5.34 H new ATOM 0 HB2 LEU A 63 5.365 1.771 13.706 1.00 62.33 H new ATOM 0 HB3 LEU A 63 6.810 2.574 13.124 1.00 62.33 H new ATOM 0 HG LEU A 63 6.182 1.925 16.020 1.00 54.35 H new ATOM 0 HD11 LEU A 63 8.060 0.336 15.770 1.00 25.40 H new ATOM 0 HD12 LEU A 63 6.736 -0.037 14.642 1.00 25.40 H new ATOM 0 HD13 LEU A 63 8.202 0.781 14.053 1.00 25.40 H new ATOM 0 HD21 LEU A 63 8.487 2.664 16.464 1.00 51.23 H new ATOM 0 HD22 LEU A 63 8.653 3.163 14.764 1.00 51.23 H new ATOM 0 HD23 LEU A 63 7.486 3.989 15.825 1.00 51.23 H new ATOM 1015 N ILE A 64 3.711 3.593 12.342 1.00 42.44 N ATOM 1016 CA ILE A 64 3.104 3.820 11.042 1.00 11.44 C ATOM 1017 C ILE A 64 2.515 5.240 10.944 1.00 31.32 C ATOM 1018 O ILE A 64 2.586 5.875 9.899 1.00 35.02 O ATOM 1019 CB ILE A 64 2.023 2.740 10.699 1.00 44.55 C ATOM 1020 CG1 ILE A 64 1.574 2.861 9.232 1.00 30.14 C ATOM 1021 CG2 ILE A 64 0.818 2.859 11.632 1.00 53.24 C ATOM 1022 CD1 ILE A 64 0.575 1.799 8.801 1.00 2.23 C ATOM 0 H ILE A 64 3.231 2.904 12.921 1.00 42.44 H new ATOM 0 HA ILE A 64 3.897 3.728 10.300 1.00 11.44 H new ATOM 0 HB ILE A 64 2.475 1.759 10.843 1.00 44.55 H new ATOM 0 HG12 ILE A 64 1.131 3.845 9.078 1.00 30.14 H new ATOM 0 HG13 ILE A 64 2.452 2.802 8.588 1.00 30.14 H new ATOM 0 HG21 ILE A 64 0.081 2.098 11.374 1.00 53.24 H new ATOM 0 HG22 ILE A 64 1.141 2.716 12.663 1.00 53.24 H new ATOM 0 HG23 ILE A 64 0.371 3.848 11.525 1.00 53.24 H new ATOM 0 HD11 ILE A 64 0.309 1.953 7.755 1.00 2.23 H new ATOM 0 HD12 ILE A 64 1.020 0.811 8.920 1.00 2.23 H new ATOM 0 HD13 ILE A 64 -0.321 1.870 9.418 1.00 2.23 H new ATOM 1034 N ARG A 65 1.990 5.762 12.058 1.00 52.42 N ATOM 1035 CA ARG A 65 1.412 7.094 12.035 1.00 75.30 C ATOM 1036 C ARG A 65 2.455 8.166 12.299 1.00 73.24 C ATOM 1037 O ARG A 65 2.156 9.355 12.328 1.00 2.11 O ATOM 1038 CB ARG A 65 0.121 7.215 12.916 1.00 25.32 C ATOM 1039 CG ARG A 65 0.245 6.994 14.433 1.00 30.31 C ATOM 1040 CD ARG A 65 0.939 8.134 15.136 1.00 14.41 C ATOM 1041 NE ARG A 65 0.913 7.980 16.585 1.00 33.02 N ATOM 1042 CZ ARG A 65 1.216 8.937 17.474 1.00 2.25 C ATOM 1043 NH1 ARG A 65 1.574 10.157 17.065 1.00 15.30 N ATOM 1044 NH2 ARG A 65 1.149 8.667 18.770 1.00 63.43 N ATOM 0 H ARG A 65 1.957 5.290 12.962 1.00 52.42 H new ATOM 0 HA ARG A 65 1.059 7.275 11.020 1.00 75.30 H new ATOM 0 HB2 ARG A 65 -0.296 8.210 12.759 1.00 25.32 H new ATOM 0 HB3 ARG A 65 -0.608 6.500 12.535 1.00 25.32 H new ATOM 0 HG2 ARG A 65 -0.750 6.863 14.859 1.00 30.31 H new ATOM 0 HG3 ARG A 65 0.795 6.071 14.617 1.00 30.31 H new ATOM 0 HD2 ARG A 65 1.973 8.193 14.796 1.00 14.41 H new ATOM 0 HD3 ARG A 65 0.459 9.074 14.863 1.00 14.41 H new ATOM 0 HE ARG A 65 0.642 7.068 16.954 1.00 33.02 H new ATOM 0 HH11 ARG A 65 1.619 10.368 16.068 1.00 15.30 H new ATOM 0 HH12 ARG A 65 1.802 10.878 17.750 1.00 15.30 H new ATOM 0 HH21 ARG A 65 0.869 7.738 19.084 1.00 63.43 H new ATOM 0 HH22 ARG A 65 1.378 9.389 19.454 1.00 63.43 H new ATOM 1058 N ARG A 66 3.680 7.722 12.468 1.00 34.45 N ATOM 1059 CA ARG A 66 4.816 8.598 12.638 1.00 50.43 C ATOM 1060 C ARG A 66 5.382 8.936 11.249 1.00 1.25 C ATOM 1061 O ARG A 66 6.299 9.748 11.098 1.00 64.43 O ATOM 1062 CB ARG A 66 5.875 7.899 13.521 1.00 35.40 C ATOM 1063 CG ARG A 66 7.151 8.688 13.772 1.00 15.31 C ATOM 1064 CD ARG A 66 8.102 7.908 14.655 1.00 73.31 C ATOM 1065 NE ARG A 66 9.408 8.563 14.775 1.00 4.32 N ATOM 1066 CZ ARG A 66 10.532 7.936 15.144 1.00 61.32 C ATOM 1067 NH1 ARG A 66 10.479 6.691 15.602 1.00 23.34 N ATOM 1068 NH2 ARG A 66 11.695 8.568 15.094 1.00 0.05 N ATOM 0 H ARG A 66 3.918 6.730 12.491 1.00 34.45 H new ATOM 0 HA ARG A 66 4.522 9.523 13.134 1.00 50.43 H new ATOM 0 HB2 ARG A 66 5.420 7.663 14.483 1.00 35.40 H new ATOM 0 HB3 ARG A 66 6.142 6.951 13.054 1.00 35.40 H new ATOM 0 HG2 ARG A 66 7.635 8.917 12.822 1.00 15.31 H new ATOM 0 HG3 ARG A 66 6.908 9.640 14.244 1.00 15.31 H new ATOM 0 HD2 ARG A 66 7.663 7.792 15.646 1.00 73.31 H new ATOM 0 HD3 ARG A 66 8.236 6.906 14.247 1.00 73.31 H new ATOM 0 HE ARG A 66 9.464 9.559 14.564 1.00 4.32 H new ATOM 0 HH11 ARG A 66 9.582 6.211 15.673 1.00 23.34 H new ATOM 0 HH12 ARG A 66 11.336 6.214 15.883 1.00 23.34 H new ATOM 0 HH21 ARG A 66 11.736 9.535 14.774 1.00 0.05 H new ATOM 0 HH22 ARG A 66 12.549 8.087 15.376 1.00 0.05 H new ATOM 1082 N HIS A 67 4.819 8.308 10.238 1.00 41.23 N ATOM 1083 CA HIS A 67 5.231 8.525 8.868 1.00 4.15 C ATOM 1084 C HIS A 67 4.047 8.988 8.054 1.00 63.01 C ATOM 1085 O HIS A 67 2.894 8.837 8.483 1.00 74.13 O ATOM 1086 CB HIS A 67 5.788 7.236 8.230 1.00 14.21 C ATOM 1087 CG HIS A 67 7.017 6.675 8.875 1.00 51.34 C ATOM 1088 ND1 HIS A 67 7.181 5.633 9.728 1.00 4.50 N flip ATOM 1089 CD2 HIS A 67 8.271 7.175 8.648 1.00 53.52 C flip ATOM 1090 CE1 HIS A 67 8.522 5.530 9.988 1.00 32.14 C flip ATOM 1091 NE2 HIS A 67 9.155 6.465 9.327 1.00 53.22 N flip ATOM 0 H HIS A 67 4.062 7.632 10.344 1.00 41.23 H new ATOM 0 HA HIS A 67 6.018 9.279 8.875 1.00 4.15 H new ATOM 0 HB2 HIS A 67 5.008 6.475 8.252 1.00 14.21 H new ATOM 0 HB3 HIS A 67 6.009 7.437 7.182 1.00 14.21 H new ATOM 0 HD1 HIS A 67 6.444 5.038 10.105 1.00 4.50 H new ATOM 0 HD2 HIS A 67 8.502 8.018 8.013 1.00 53.52 H new ATOM 0 HE1 HIS A 67 8.982 4.796 10.634 1.00 32.14 H new ATOM 1100 N GLU A 68 4.313 9.558 6.901 1.00 24.05 N ATOM 1101 CA GLU A 68 3.248 9.931 5.999 1.00 45.14 C ATOM 1102 C GLU A 68 2.865 8.731 5.154 1.00 53.12 C ATOM 1103 O GLU A 68 3.661 7.797 4.992 1.00 71.35 O ATOM 1104 CB GLU A 68 3.629 11.123 5.115 1.00 70.35 C ATOM 1105 CG GLU A 68 3.878 12.413 5.878 1.00 50.10 C ATOM 1106 CD GLU A 68 2.699 12.814 6.739 1.00 42.51 C ATOM 1107 OE1 GLU A 68 1.647 13.200 6.187 1.00 20.42 O ATOM 1108 OE2 GLU A 68 2.809 12.752 7.972 1.00 4.33 O ATOM 0 H GLU A 68 5.253 9.773 6.567 1.00 24.05 H new ATOM 0 HA GLU A 68 2.392 10.248 6.594 1.00 45.14 H new ATOM 0 HB2 GLU A 68 4.526 10.870 4.550 1.00 70.35 H new ATOM 0 HB3 GLU A 68 2.833 11.291 4.390 1.00 70.35 H new ATOM 0 HG2 GLU A 68 4.760 12.295 6.508 1.00 50.10 H new ATOM 0 HG3 GLU A 68 4.096 13.213 5.171 1.00 50.10 H new ATOM 1115 N ARG A 69 1.680 8.758 4.592 1.00 55.51 N ATOM 1116 CA ARG A 69 1.180 7.606 3.872 1.00 40.43 C ATOM 1117 C ARG A 69 1.784 7.539 2.496 1.00 24.41 C ATOM 1118 O ARG A 69 2.087 6.465 2.004 1.00 71.11 O ATOM 1119 CB ARG A 69 -0.382 7.540 3.815 1.00 64.41 C ATOM 1120 CG ARG A 69 -1.067 7.510 5.193 1.00 2.31 C ATOM 1121 CD ARG A 69 -1.114 8.880 5.827 1.00 14.42 C ATOM 1122 NE ARG A 69 -1.268 8.838 7.278 1.00 34.34 N ATOM 1123 CZ ARG A 69 -1.616 9.888 8.034 1.00 25.21 C ATOM 1124 NH1 ARG A 69 -2.008 11.029 7.467 1.00 1.22 N ATOM 1125 NH2 ARG A 69 -1.587 9.778 9.353 1.00 5.21 N ATOM 0 H ARG A 69 1.047 9.557 4.617 1.00 55.51 H new ATOM 0 HA ARG A 69 1.492 6.726 4.435 1.00 40.43 H new ATOM 0 HB2 ARG A 69 -0.750 8.402 3.258 1.00 64.41 H new ATOM 0 HB3 ARG A 69 -0.676 6.651 3.257 1.00 64.41 H new ATOM 0 HG2 ARG A 69 -2.081 7.124 5.086 1.00 2.31 H new ATOM 0 HG3 ARG A 69 -0.532 6.824 5.850 1.00 2.31 H new ATOM 0 HD2 ARG A 69 -0.199 9.419 5.581 1.00 14.42 H new ATOM 0 HD3 ARG A 69 -1.941 9.444 5.397 1.00 14.42 H new ATOM 0 HE ARG A 69 -1.099 7.949 7.748 1.00 34.34 H new ATOM 0 HH11 ARG A 69 -2.045 11.107 6.451 1.00 1.22 H new ATOM 0 HH12 ARG A 69 -2.271 11.824 8.049 1.00 1.22 H new ATOM 0 HH21 ARG A 69 -1.301 8.899 9.785 1.00 5.21 H new ATOM 0 HH22 ARG A 69 -1.850 10.572 9.937 1.00 5.21 H new ATOM 1139 N ASP A 70 2.000 8.704 1.900 1.00 22.32 N ATOM 1140 CA ASP A 70 2.581 8.804 0.547 1.00 51.24 C ATOM 1141 C ASP A 70 3.998 8.207 0.528 1.00 53.44 C ATOM 1142 O ASP A 70 4.371 7.470 -0.397 1.00 3.44 O ATOM 1143 CB ASP A 70 2.622 10.271 0.104 1.00 64.11 C ATOM 1144 CG ASP A 70 3.080 10.457 -1.333 1.00 13.44 C ATOM 1145 OD1 ASP A 70 2.217 10.581 -2.224 1.00 55.24 O ATOM 1146 OD2 ASP A 70 4.301 10.510 -1.589 1.00 3.25 O ATOM 0 H ASP A 70 1.783 9.605 2.327 1.00 22.32 H new ATOM 0 HA ASP A 70 1.957 8.240 -0.146 1.00 51.24 H new ATOM 0 HB2 ASP A 70 1.629 10.705 0.220 1.00 64.11 H new ATOM 0 HB3 ASP A 70 3.290 10.823 0.765 1.00 64.11 H new ATOM 1151 N GLU A 71 4.762 8.506 1.579 1.00 61.50 N ATOM 1152 CA GLU A 71 6.139 8.018 1.757 1.00 1.42 C ATOM 1153 C GLU A 71 6.196 6.506 1.647 1.00 43.45 C ATOM 1154 O GLU A 71 6.955 5.956 0.842 1.00 51.44 O ATOM 1155 CB GLU A 71 6.646 8.442 3.139 1.00 45.10 C ATOM 1156 CG GLU A 71 6.783 9.943 3.331 1.00 31.23 C ATOM 1157 CD GLU A 71 7.903 10.524 2.509 1.00 72.23 C ATOM 1158 OE1 GLU A 71 7.672 10.928 1.370 1.00 62.44 O ATOM 1159 OE2 GLU A 71 9.036 10.561 3.010 1.00 33.53 O ATOM 0 H GLU A 71 4.442 9.101 2.343 1.00 61.50 H new ATOM 0 HA GLU A 71 6.765 8.447 0.975 1.00 1.42 H new ATOM 0 HB2 GLU A 71 5.965 8.053 3.896 1.00 45.10 H new ATOM 0 HB3 GLU A 71 7.616 7.977 3.314 1.00 45.10 H new ATOM 0 HG2 GLU A 71 5.846 10.429 3.059 1.00 31.23 H new ATOM 0 HG3 GLU A 71 6.959 10.158 4.385 1.00 31.23 H new ATOM 1166 N ILE A 72 5.363 5.858 2.429 1.00 31.32 N ATOM 1167 CA ILE A 72 5.306 4.408 2.506 1.00 42.34 C ATOM 1168 C ILE A 72 4.697 3.821 1.233 1.00 5.43 C ATOM 1169 O ILE A 72 5.129 2.781 0.740 1.00 73.14 O ATOM 1170 CB ILE A 72 4.435 3.980 3.721 1.00 1.43 C ATOM 1171 CG1 ILE A 72 5.011 4.557 5.028 1.00 33.35 C ATOM 1172 CG2 ILE A 72 4.316 2.459 3.806 1.00 22.15 C ATOM 1173 CD1 ILE A 72 4.187 4.239 6.262 1.00 13.31 C ATOM 0 H ILE A 72 4.694 6.326 3.040 1.00 31.32 H new ATOM 0 HA ILE A 72 6.323 4.033 2.622 1.00 42.34 H new ATOM 0 HB ILE A 72 3.433 4.384 3.577 1.00 1.43 H new ATOM 0 HG12 ILE A 72 6.021 4.171 5.169 1.00 33.35 H new ATOM 0 HG13 ILE A 72 5.094 5.639 4.929 1.00 33.35 H new ATOM 0 HG21 ILE A 72 3.702 2.190 4.665 1.00 22.15 H new ATOM 0 HG22 ILE A 72 3.853 2.079 2.895 1.00 22.15 H new ATOM 0 HG23 ILE A 72 5.308 2.022 3.918 1.00 22.15 H new ATOM 0 HD11 ILE A 72 4.660 4.681 7.139 1.00 13.31 H new ATOM 0 HD12 ILE A 72 3.184 4.649 6.145 1.00 13.31 H new ATOM 0 HD13 ILE A 72 4.124 3.158 6.389 1.00 13.31 H new ATOM 1185 N MET A 73 3.725 4.512 0.706 1.00 73.24 N ATOM 1186 CA MET A 73 2.952 4.031 -0.411 1.00 11.31 C ATOM 1187 C MET A 73 3.820 3.883 -1.686 1.00 25.13 C ATOM 1188 O MET A 73 3.658 2.907 -2.441 1.00 41.31 O ATOM 1189 CB MET A 73 1.763 4.961 -0.628 1.00 72.41 C ATOM 1190 CG MET A 73 0.523 4.295 -1.185 1.00 2.21 C ATOM 1191 SD MET A 73 0.732 3.586 -2.804 1.00 34.01 S ATOM 1192 CE MET A 73 -0.859 2.851 -2.992 1.00 62.25 C ATOM 0 H MET A 73 3.443 5.433 1.041 1.00 73.24 H new ATOM 0 HA MET A 73 2.579 3.032 -0.187 1.00 11.31 H new ATOM 0 HB2 MET A 73 1.509 5.430 0.323 1.00 72.41 H new ATOM 0 HB3 MET A 73 2.064 5.759 -1.306 1.00 72.41 H new ATOM 0 HG2 MET A 73 0.206 3.511 -0.497 1.00 2.21 H new ATOM 0 HG3 MET A 73 -0.282 5.029 -1.224 1.00 2.21 H new ATOM 0 HE1 MET A 73 -0.836 2.140 -3.818 1.00 62.25 H new ATOM 0 HE2 MET A 73 -1.130 2.331 -2.073 1.00 62.25 H new ATOM 0 HE3 MET A 73 -1.596 3.627 -3.201 1.00 62.25 H new ATOM 1202 N GLU A 74 4.763 4.828 -1.915 1.00 11.04 N ATOM 1203 CA GLU A 74 5.670 4.710 -3.076 1.00 73.52 C ATOM 1204 C GLU A 74 6.439 3.404 -2.955 1.00 72.24 C ATOM 1205 O GLU A 74 6.528 2.634 -3.904 1.00 74.45 O ATOM 1206 CB GLU A 74 6.692 5.858 -3.144 1.00 52.24 C ATOM 1207 CG GLU A 74 7.541 5.832 -4.418 1.00 64.20 C ATOM 1208 CD GLU A 74 8.698 6.810 -4.418 1.00 61.21 C ATOM 1209 OE1 GLU A 74 9.844 6.382 -4.140 1.00 11.51 O ATOM 1210 OE2 GLU A 74 8.494 7.996 -4.703 1.00 71.24 O ATOM 0 H GLU A 74 4.912 5.652 -1.333 1.00 11.04 H new ATOM 0 HA GLU A 74 5.059 4.746 -3.978 1.00 73.52 H new ATOM 0 HB2 GLU A 74 6.164 6.810 -3.086 1.00 52.24 H new ATOM 0 HB3 GLU A 74 7.349 5.804 -2.276 1.00 52.24 H new ATOM 0 HG2 GLU A 74 7.933 4.825 -4.559 1.00 64.20 H new ATOM 0 HG3 GLU A 74 6.899 6.047 -5.272 1.00 64.20 H new ATOM 1217 N GLU A 75 6.959 3.161 -1.753 1.00 51.41 N ATOM 1218 CA GLU A 75 7.745 1.969 -1.448 1.00 72.41 C ATOM 1219 C GLU A 75 6.978 0.704 -1.811 1.00 62.43 C ATOM 1220 O GLU A 75 7.514 -0.193 -2.477 1.00 42.14 O ATOM 1221 CB GLU A 75 8.107 1.935 0.040 1.00 25.10 C ATOM 1222 CG GLU A 75 8.862 3.157 0.532 1.00 45.11 C ATOM 1223 CD GLU A 75 10.141 3.386 -0.219 1.00 63.51 C ATOM 1224 OE1 GLU A 75 10.163 4.217 -1.114 1.00 54.12 O ATOM 1225 OE2 GLU A 75 11.144 2.724 0.077 1.00 73.32 O ATOM 0 H GLU A 75 6.845 3.791 -0.959 1.00 51.41 H new ATOM 0 HA GLU A 75 8.658 2.010 -2.042 1.00 72.41 H new ATOM 0 HB2 GLU A 75 7.191 1.831 0.622 1.00 25.10 H new ATOM 0 HB3 GLU A 75 8.710 1.048 0.234 1.00 25.10 H new ATOM 0 HG2 GLU A 75 8.225 4.036 0.435 1.00 45.11 H new ATOM 0 HG3 GLU A 75 9.084 3.040 1.593 1.00 45.11 H new ATOM 1232 N LEU A 76 5.717 0.653 -1.388 1.00 35.34 N ATOM 1233 CA LEU A 76 4.842 -0.495 -1.654 1.00 10.44 C ATOM 1234 C LEU A 76 4.716 -0.736 -3.154 1.00 75.44 C ATOM 1235 O LEU A 76 4.920 -1.856 -3.645 1.00 52.51 O ATOM 1236 CB LEU A 76 3.437 -0.235 -1.088 1.00 63.13 C ATOM 1237 CG LEU A 76 3.335 0.075 0.405 1.00 53.05 C ATOM 1238 CD1 LEU A 76 1.895 0.319 0.789 1.00 53.11 C ATOM 1239 CD2 LEU A 76 3.907 -1.048 1.232 1.00 73.00 C ATOM 0 H LEU A 76 5.272 1.399 -0.854 1.00 35.34 H new ATOM 0 HA LEU A 76 5.284 -1.369 -1.175 1.00 10.44 H new ATOM 0 HB2 LEU A 76 3.000 0.599 -1.637 1.00 63.13 H new ATOM 0 HB3 LEU A 76 2.822 -1.111 -1.295 1.00 63.13 H new ATOM 0 HG LEU A 76 3.916 0.975 0.604 1.00 53.05 H new ATOM 0 HD11 LEU A 76 1.835 0.539 1.855 1.00 53.11 H new ATOM 0 HD12 LEU A 76 1.505 1.164 0.222 1.00 53.11 H new ATOM 0 HD13 LEU A 76 1.304 -0.570 0.568 1.00 53.11 H new ATOM 0 HD21 LEU A 76 3.821 -0.801 2.290 1.00 73.00 H new ATOM 0 HD22 LEU A 76 3.357 -1.967 1.028 1.00 73.00 H new ATOM 0 HD23 LEU A 76 4.957 -1.190 0.976 1.00 73.00 H new ATOM 1251 N THR A 77 4.422 0.328 -3.868 1.00 73.13 N ATOM 1252 CA THR A 77 4.202 0.278 -5.294 1.00 22.21 C ATOM 1253 C THR A 77 5.484 -0.143 -6.045 1.00 1.52 C ATOM 1254 O THR A 77 5.433 -0.929 -7.008 1.00 12.24 O ATOM 1255 CB THR A 77 3.715 1.656 -5.799 1.00 44.15 C ATOM 1256 OG1 THR A 77 2.573 2.066 -5.030 1.00 23.01 O ATOM 1257 CG2 THR A 77 3.316 1.588 -7.269 1.00 10.41 C ATOM 0 H THR A 77 4.328 1.262 -3.469 1.00 73.13 H new ATOM 0 HA THR A 77 3.436 -0.471 -5.495 1.00 22.21 H new ATOM 0 HB THR A 77 4.530 2.371 -5.687 1.00 44.15 H new ATOM 0 HG1 THR A 77 2.869 2.406 -4.160 1.00 23.01 H new ATOM 0 HG21 THR A 77 2.977 2.570 -7.600 1.00 10.41 H new ATOM 0 HG22 THR A 77 4.175 1.281 -7.865 1.00 10.41 H new ATOM 0 HG23 THR A 77 2.510 0.865 -7.394 1.00 10.41 H new ATOM 1265 N LYS A 78 6.625 0.359 -5.584 1.00 23.34 N ATOM 1266 CA LYS A 78 7.899 0.063 -6.219 1.00 1.30 C ATOM 1267 C LYS A 78 8.246 -1.398 -6.146 1.00 31.13 C ATOM 1268 O LYS A 78 8.618 -1.976 -7.138 1.00 3.21 O ATOM 1269 CB LYS A 78 9.030 0.923 -5.672 1.00 25.30 C ATOM 1270 CG LYS A 78 8.797 2.393 -5.909 1.00 1.20 C ATOM 1271 CD LYS A 78 9.953 3.264 -5.481 1.00 53.45 C ATOM 1272 CE LYS A 78 10.186 3.174 -3.996 1.00 5.53 C ATOM 1273 NZ LYS A 78 11.167 4.161 -3.527 1.00 1.13 N ATOM 0 H LYS A 78 6.691 0.973 -4.772 1.00 23.34 H new ATOM 0 HA LYS A 78 7.778 0.317 -7.272 1.00 1.30 H new ATOM 0 HB2 LYS A 78 9.136 0.742 -4.602 1.00 25.30 H new ATOM 0 HB3 LYS A 78 9.968 0.626 -6.140 1.00 25.30 H new ATOM 0 HG2 LYS A 78 8.603 2.555 -6.969 1.00 1.20 H new ATOM 0 HG3 LYS A 78 7.901 2.702 -5.370 1.00 1.20 H new ATOM 0 HD2 LYS A 78 10.855 2.961 -6.012 1.00 53.45 H new ATOM 0 HD3 LYS A 78 9.753 4.299 -5.758 1.00 53.45 H new ATOM 0 HE2 LYS A 78 9.242 3.325 -3.472 1.00 5.53 H new ATOM 0 HE3 LYS A 78 10.533 2.172 -3.745 1.00 5.53 H new ATOM 0 HZ1 LYS A 78 11.147 4.203 -2.488 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 12.118 3.883 -3.844 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 10.932 5.096 -3.916 1.00 1.13 H new ATOM 1287 N TYR A 79 8.104 -1.991 -4.981 1.00 3.01 N ATOM 1288 CA TYR A 79 8.401 -3.429 -4.815 1.00 4.22 C ATOM 1289 C TYR A 79 7.532 -4.291 -5.697 1.00 24.12 C ATOM 1290 O TYR A 79 8.005 -5.256 -6.282 1.00 43.11 O ATOM 1291 CB TYR A 79 8.277 -3.877 -3.362 1.00 55.24 C ATOM 1292 CG TYR A 79 9.426 -3.475 -2.471 1.00 11.14 C ATOM 1293 CD1 TYR A 79 10.026 -2.232 -2.570 1.00 15.03 C ATOM 1294 CD2 TYR A 79 9.913 -4.362 -1.525 1.00 13.44 C ATOM 1295 CE1 TYR A 79 11.076 -1.881 -1.745 1.00 23.13 C ATOM 1296 CE2 TYR A 79 10.954 -4.026 -0.698 1.00 21.04 C ATOM 1297 CZ TYR A 79 11.536 -2.783 -0.807 1.00 21.23 C ATOM 1298 OH TYR A 79 12.583 -2.439 0.028 1.00 53.40 O ATOM 0 H TYR A 79 7.789 -1.521 -4.132 1.00 3.01 H new ATOM 0 HA TYR A 79 9.438 -3.560 -5.124 1.00 4.22 H new ATOM 0 HB2 TYR A 79 7.356 -3.467 -2.948 1.00 55.24 H new ATOM 0 HB3 TYR A 79 8.182 -4.963 -3.339 1.00 55.24 H new ATOM 0 HD1 TYR A 79 9.667 -1.526 -3.304 1.00 15.03 H new ATOM 0 HD2 TYR A 79 9.463 -5.340 -1.437 1.00 13.44 H new ATOM 0 HE1 TYR A 79 11.534 -0.907 -1.833 1.00 23.13 H new ATOM 0 HE2 TYR A 79 11.315 -4.732 0.035 1.00 21.04 H new ATOM 0 HH TYR A 79 12.781 -3.187 0.629 1.00 53.40 H new ATOM 1308 N TYR A 80 6.274 -3.919 -5.803 1.00 74.14 N ATOM 1309 CA TYR A 80 5.311 -4.635 -6.620 1.00 4.20 C ATOM 1310 C TYR A 80 5.813 -4.711 -8.061 1.00 32.44 C ATOM 1311 O TYR A 80 5.832 -5.781 -8.684 1.00 71.31 O ATOM 1312 CB TYR A 80 3.976 -3.893 -6.560 1.00 32.34 C ATOM 1313 CG TYR A 80 2.823 -4.598 -7.221 1.00 13.54 C ATOM 1314 CD1 TYR A 80 2.147 -5.586 -6.549 1.00 13.04 C ATOM 1315 CD2 TYR A 80 2.399 -4.269 -8.502 1.00 33.41 C ATOM 1316 CE1 TYR A 80 1.091 -6.239 -7.111 1.00 41.31 C ATOM 1317 CE2 TYR A 80 1.328 -4.922 -9.077 1.00 20.12 C ATOM 1318 CZ TYR A 80 0.680 -5.910 -8.365 1.00 40.14 C ATOM 1319 OH TYR A 80 -0.379 -6.566 -8.916 1.00 44.32 O ATOM 0 H TYR A 80 5.886 -3.107 -5.323 1.00 74.14 H new ATOM 0 HA TYR A 80 5.181 -5.651 -6.247 1.00 4.20 H new ATOM 0 HB2 TYR A 80 3.723 -3.717 -5.515 1.00 32.34 H new ATOM 0 HB3 TYR A 80 4.100 -2.916 -7.027 1.00 32.34 H new ATOM 0 HD1 TYR A 80 2.460 -5.852 -5.550 1.00 13.04 H new ATOM 0 HD2 TYR A 80 2.912 -3.495 -9.053 1.00 33.41 H new ATOM 0 HE1 TYR A 80 0.581 -7.017 -6.561 1.00 41.31 H new ATOM 0 HE2 TYR A 80 1.001 -4.663 -10.073 1.00 20.12 H new ATOM 0 HH TYR A 80 -1.173 -6.432 -8.358 1.00 44.32 H new ATOM 1329 N LEU A 81 6.213 -3.577 -8.579 1.00 22.25 N ATOM 1330 CA LEU A 81 6.748 -3.491 -9.913 1.00 72.20 C ATOM 1331 C LEU A 81 8.159 -4.052 -10.037 1.00 13.21 C ATOM 1332 O LEU A 81 8.476 -4.730 -11.023 1.00 22.25 O ATOM 1333 CB LEU A 81 6.632 -2.082 -10.456 1.00 72.34 C ATOM 1334 CG LEU A 81 5.199 -1.607 -10.670 1.00 63.14 C ATOM 1335 CD1 LEU A 81 5.173 -0.195 -11.190 1.00 33.44 C ATOM 1336 CD2 LEU A 81 4.473 -2.541 -11.623 1.00 44.42 C ATOM 0 H LEU A 81 6.176 -2.685 -8.085 1.00 22.25 H new ATOM 0 HA LEU A 81 6.133 -4.137 -10.539 1.00 72.20 H new ATOM 0 HB2 LEU A 81 7.130 -1.398 -9.769 1.00 72.34 H new ATOM 0 HB3 LEU A 81 7.166 -2.026 -11.404 1.00 72.34 H new ATOM 0 HG LEU A 81 4.686 -1.621 -9.709 1.00 63.14 H new ATOM 0 HD11 LEU A 81 4.140 0.121 -11.334 1.00 33.44 H new ATOM 0 HD12 LEU A 81 5.657 0.466 -10.472 1.00 33.44 H new ATOM 0 HD13 LEU A 81 5.703 -0.148 -12.141 1.00 33.44 H new ATOM 0 HD21 LEU A 81 3.451 -2.191 -11.767 1.00 44.42 H new ATOM 0 HD22 LEU A 81 4.990 -2.556 -12.582 1.00 44.42 H new ATOM 0 HD23 LEU A 81 4.456 -3.547 -11.204 1.00 44.42 H new ATOM 1348 N ALA A 82 8.991 -3.807 -9.030 1.00 13.24 N ATOM 1349 CA ALA A 82 10.385 -4.259 -9.033 1.00 1.11 C ATOM 1350 C ALA A 82 10.485 -5.770 -9.118 1.00 21.34 C ATOM 1351 O ALA A 82 11.432 -6.306 -9.702 1.00 44.04 O ATOM 1352 CB ALA A 82 11.131 -3.744 -7.811 1.00 53.34 C ATOM 0 H ALA A 82 8.723 -3.292 -8.191 1.00 13.24 H new ATOM 0 HA ALA A 82 10.855 -3.843 -9.924 1.00 1.11 H new ATOM 0 HB1 ALA A 82 12.163 -4.095 -7.840 1.00 53.34 H new ATOM 0 HB2 ALA A 82 11.118 -2.654 -7.810 1.00 53.34 H new ATOM 0 HB3 ALA A 82 10.647 -4.114 -6.907 1.00 53.34 H new ATOM 1358 N ASN A 83 9.486 -6.463 -8.573 1.00 0.40 N ATOM 1359 CA ASN A 83 9.462 -7.930 -8.598 1.00 14.35 C ATOM 1360 C ASN A 83 9.190 -8.485 -10.000 1.00 2.32 C ATOM 1361 O ASN A 83 9.115 -9.697 -10.193 1.00 12.11 O ATOM 1362 CB ASN A 83 8.466 -8.522 -7.578 1.00 64.12 C ATOM 1363 CG ASN A 83 8.807 -8.182 -6.132 1.00 13.13 C ATOM 1364 OD1 ASN A 83 9.970 -7.950 -5.786 1.00 53.00 O ATOM 1365 ND2 ASN A 83 7.815 -8.190 -5.271 1.00 10.52 N ATOM 0 H ASN A 83 8.684 -6.036 -8.110 1.00 0.40 H new ATOM 0 HA ASN A 83 10.463 -8.245 -8.304 1.00 14.35 H new ATOM 0 HB2 ASN A 83 7.465 -8.155 -7.804 1.00 64.12 H new ATOM 0 HB3 ASN A 83 8.441 -9.606 -7.693 1.00 64.12 H new ATOM 0 HD21 ASN A 83 7.994 -8.001 -4.285 1.00 10.52 H new ATOM 0 HD22 ASN A 83 6.866 -8.385 -5.589 1.00 10.52 H new ATOM 1372 N HIS A 84 9.018 -7.600 -10.975 1.00 32.03 N ATOM 1373 CA HIS A 84 8.870 -8.016 -12.372 1.00 33.35 C ATOM 1374 C HIS A 84 10.202 -7.903 -13.097 1.00 54.34 C ATOM 1375 O HIS A 84 10.284 -8.111 -14.307 1.00 5.32 O ATOM 1376 CB HIS A 84 7.810 -7.191 -13.135 1.00 62.35 C ATOM 1377 CG HIS A 84 6.386 -7.396 -12.709 1.00 50.04 C ATOM 1378 ND1 HIS A 84 5.612 -6.721 -11.833 1.00 25.21 N flip ATOM 1379 CD2 HIS A 84 5.581 -8.360 -13.250 1.00 0.24 C flip ATOM 1380 CE1 HIS A 84 4.360 -7.288 -11.872 1.00 74.22 C flip ATOM 1381 NE2 HIS A 84 4.379 -8.279 -12.739 1.00 42.02 N flip ATOM 0 H HIS A 84 8.977 -6.591 -10.829 1.00 32.03 H new ATOM 0 HA HIS A 84 8.532 -9.052 -12.352 1.00 33.35 H new ATOM 0 HB2 HIS A 84 8.053 -6.134 -13.025 1.00 62.35 H new ATOM 0 HB3 HIS A 84 7.889 -7.428 -14.196 1.00 62.35 H new ATOM 0 HD2 HIS A 84 5.892 -9.082 -13.990 1.00 0.24 H new ATOM 0 HE1 HIS A 84 3.506 -6.974 -11.290 1.00 74.22 H new ATOM 0 HE2 HIS A 84 3.590 -8.882 -12.973 1.00 42.02 H new ATOM 1390 N GLY A 85 11.245 -7.584 -12.352 1.00 73.32 N ATOM 1391 CA GLY A 85 12.559 -7.408 -12.941 1.00 44.32 C ATOM 1392 C GLY A 85 12.770 -5.979 -13.366 1.00 23.03 C ATOM 1393 O GLY A 85 13.735 -5.653 -14.052 1.00 2.31 O ATOM 0 H GLY A 85 11.208 -7.442 -11.343 1.00 73.32 H new ATOM 0 HA2 GLY A 85 13.326 -7.695 -12.221 1.00 44.32 H new ATOM 0 HA3 GLY A 85 12.667 -8.068 -13.802 1.00 44.32 H new ATOM 1397 N ILE A 86 11.863 -5.130 -12.951 1.00 72.14 N ATOM 1398 CA ILE A 86 11.907 -3.731 -13.282 1.00 4.44 C ATOM 1399 C ILE A 86 12.769 -3.004 -12.280 1.00 63.21 C ATOM 1400 O ILE A 86 12.627 -3.202 -11.072 1.00 33.35 O ATOM 1401 CB ILE A 86 10.485 -3.103 -13.265 1.00 12.33 C ATOM 1402 CG1 ILE A 86 9.567 -3.815 -14.261 1.00 64.12 C ATOM 1403 CG2 ILE A 86 10.544 -1.607 -13.569 1.00 35.30 C ATOM 1404 CD1 ILE A 86 8.158 -3.270 -14.289 1.00 14.01 C ATOM 0 H ILE A 86 11.068 -5.394 -12.369 1.00 72.14 H new ATOM 0 HA ILE A 86 12.321 -3.635 -14.286 1.00 4.44 H new ATOM 0 HB ILE A 86 10.074 -3.231 -12.264 1.00 12.33 H new ATOM 0 HG12 ILE A 86 9.998 -3.735 -15.259 1.00 64.12 H new ATOM 0 HG13 ILE A 86 9.531 -4.876 -14.014 1.00 64.12 H new ATOM 0 HG21 ILE A 86 9.536 -1.192 -13.551 1.00 35.30 H new ATOM 0 HG22 ILE A 86 11.156 -1.107 -12.818 1.00 35.30 H new ATOM 0 HG23 ILE A 86 10.982 -1.453 -14.555 1.00 35.30 H new ATOM 0 HD11 ILE A 86 7.568 -3.825 -15.018 1.00 14.01 H new ATOM 0 HD12 ILE A 86 7.708 -3.375 -13.302 1.00 14.01 H new ATOM 0 HD13 ILE A 86 8.181 -2.216 -14.567 1.00 14.01 H new ATOM 1416 N ASP A 87 13.653 -2.183 -12.767 1.00 32.12 N ATOM 1417 CA ASP A 87 14.484 -1.396 -11.891 1.00 72.20 C ATOM 1418 C ASP A 87 13.926 -0.005 -11.807 1.00 64.22 C ATOM 1419 O ASP A 87 13.833 0.701 -12.813 1.00 2.02 O ATOM 1420 CB ASP A 87 15.937 -1.356 -12.374 1.00 30.31 C ATOM 1421 CG ASP A 87 16.827 -0.502 -11.479 1.00 51.25 C ATOM 1422 OD1 ASP A 87 17.028 0.682 -11.777 1.00 1.14 O ATOM 1423 OD2 ASP A 87 17.340 -1.018 -10.468 1.00 32.35 O ATOM 0 H ASP A 87 13.820 -2.038 -13.763 1.00 32.12 H new ATOM 0 HA ASP A 87 14.484 -1.859 -10.904 1.00 72.20 H new ATOM 0 HB2 ASP A 87 16.332 -2.371 -12.411 1.00 30.31 H new ATOM 0 HB3 ASP A 87 15.968 -0.965 -13.391 1.00 30.31 H new ATOM 1428 N ILE A 88 13.555 0.381 -10.628 1.00 22.43 N ATOM 1429 CA ILE A 88 12.989 1.681 -10.391 1.00 71.15 C ATOM 1430 C ILE A 88 14.021 2.498 -9.654 1.00 64.11 C ATOM 1431 O ILE A 88 14.684 1.983 -8.747 1.00 52.44 O ATOM 1432 CB ILE A 88 11.713 1.557 -9.529 1.00 60.45 C ATOM 1433 CG1 ILE A 88 10.715 0.612 -10.202 1.00 52.34 C ATOM 1434 CG2 ILE A 88 11.077 2.925 -9.276 1.00 21.21 C ATOM 1435 CD1 ILE A 88 9.488 0.335 -9.380 1.00 42.13 C ATOM 0 H ILE A 88 13.635 -0.198 -9.792 1.00 22.43 H new ATOM 0 HA ILE A 88 12.719 2.155 -11.335 1.00 71.15 H new ATOM 0 HB ILE A 88 11.994 1.142 -8.561 1.00 60.45 H new ATOM 0 HG12 ILE A 88 10.411 1.041 -11.157 1.00 52.34 H new ATOM 0 HG13 ILE A 88 11.214 -0.332 -10.421 1.00 52.34 H new ATOM 0 HG21 ILE A 88 10.181 2.803 -8.667 1.00 21.21 H new ATOM 0 HG22 ILE A 88 11.787 3.565 -8.753 1.00 21.21 H new ATOM 0 HG23 ILE A 88 10.808 3.383 -10.228 1.00 21.21 H new ATOM 0 HD11 ILE A 88 8.830 -0.342 -9.925 1.00 42.13 H new ATOM 0 HD12 ILE A 88 9.779 -0.124 -8.435 1.00 42.13 H new ATOM 0 HD13 ILE A 88 8.963 1.270 -9.183 1.00 42.13 H new ATOM 1447 N LYS A 89 14.175 3.729 -10.030 1.00 21.13 N ATOM 1448 CA LYS A 89 15.161 4.563 -9.435 1.00 44.44 C ATOM 1449 C LYS A 89 14.488 5.802 -8.844 1.00 45.35 C ATOM 1450 O LYS A 89 13.302 6.065 -9.118 1.00 54.42 O ATOM 1451 CB LYS A 89 16.191 4.922 -10.515 1.00 73.45 C ATOM 1452 CG LYS A 89 17.516 5.447 -9.999 1.00 11.15 C ATOM 1453 CD LYS A 89 17.482 6.872 -9.449 1.00 34.15 C ATOM 1454 CE LYS A 89 17.233 7.892 -10.546 1.00 23.12 C ATOM 1455 NZ LYS A 89 17.298 9.280 -10.042 1.00 24.13 N ATOM 0 H LYS A 89 13.620 4.180 -10.757 1.00 21.13 H new ATOM 0 HA LYS A 89 15.674 4.055 -8.619 1.00 44.44 H new ATOM 0 HB2 LYS A 89 16.381 4.036 -11.121 1.00 73.45 H new ATOM 0 HB3 LYS A 89 15.754 5.672 -11.175 1.00 73.45 H new ATOM 0 HG2 LYS A 89 17.872 4.780 -9.214 1.00 11.15 H new ATOM 0 HG3 LYS A 89 18.245 5.404 -10.808 1.00 11.15 H new ATOM 0 HD2 LYS A 89 16.700 6.952 -8.694 1.00 34.15 H new ATOM 0 HD3 LYS A 89 18.427 7.094 -8.954 1.00 34.15 H new ATOM 0 HE2 LYS A 89 17.971 7.760 -11.337 1.00 23.12 H new ATOM 0 HE3 LYS A 89 16.254 7.714 -10.990 1.00 23.12 H new ATOM 0 HZ1 LYS A 89 17.122 9.942 -10.825 1.00 24.13 H new ATOM 0 HZ2 LYS A 89 16.577 9.416 -9.305 1.00 24.13 H new ATOM 0 HZ3 LYS A 89 18.241 9.460 -9.641 1.00 24.13 H new TER 1469 LYS A 89 ATOM 1470 N MET B 1 -16.685 26.078 8.563 1.00 61.34 N ATOM 1471 CA MET B 1 -15.671 25.049 8.469 1.00 33.53 C ATOM 1472 C MET B 1 -16.350 23.710 8.321 1.00 32.32 C ATOM 1473 O MET B 1 -17.544 23.591 8.601 1.00 62.24 O ATOM 1474 CB MET B 1 -14.750 25.033 9.718 1.00 71.20 C ATOM 1475 CG MET B 1 -15.413 24.623 11.047 1.00 4.12 C ATOM 1476 SD MET B 1 -16.702 25.756 11.622 1.00 31.54 S ATOM 1477 CE MET B 1 -17.200 24.944 13.141 1.00 42.32 C ATOM 0 H1 MET B 1 -16.384 26.912 8.020 1.00 61.34 H new ATOM 0 H2 MET B 1 -17.581 25.718 8.177 1.00 61.34 H new ATOM 0 H3 MET B 1 -16.819 26.343 9.560 1.00 61.34 H new ATOM 0 HA MET B 1 -15.045 25.259 7.602 1.00 33.53 H new ATOM 0 HB2 MET B 1 -13.922 24.352 9.524 1.00 71.20 H new ATOM 0 HB3 MET B 1 -14.322 26.028 9.841 1.00 71.20 H new ATOM 0 HG2 MET B 1 -15.845 23.629 10.932 1.00 4.12 H new ATOM 0 HG3 MET B 1 -14.643 24.548 11.815 1.00 4.12 H new ATOM 0 HE1 MET B 1 -18.231 25.209 13.374 1.00 42.32 H new ATOM 0 HE2 MET B 1 -17.122 23.864 13.019 1.00 42.32 H new ATOM 0 HE3 MET B 1 -16.550 25.265 13.955 1.00 42.32 H new ATOM 1487 N GLY B 2 -15.614 22.725 7.868 1.00 71.13 N ATOM 1488 CA GLY B 2 -16.160 21.403 7.721 1.00 3.54 C ATOM 1489 C GLY B 2 -17.061 21.276 6.514 1.00 63.04 C ATOM 1490 O GLY B 2 -17.894 20.381 6.444 1.00 13.30 O ATOM 0 H GLY B 2 -14.635 22.816 7.595 1.00 71.13 H new ATOM 0 HA2 GLY B 2 -15.345 20.685 7.638 1.00 3.54 H new ATOM 0 HA3 GLY B 2 -16.722 21.145 8.618 1.00 3.54 H new ATOM 1494 N PHE B 3 -16.909 22.171 5.568 1.00 65.21 N ATOM 1495 CA PHE B 3 -17.707 22.109 4.376 1.00 54.33 C ATOM 1496 C PHE B 3 -16.981 21.276 3.334 1.00 54.35 C ATOM 1497 O PHE B 3 -16.219 21.789 2.507 1.00 32.32 O ATOM 1498 CB PHE B 3 -18.052 23.512 3.856 1.00 74.20 C ATOM 1499 CG PHE B 3 -18.980 23.542 2.670 1.00 21.21 C ATOM 1500 CD1 PHE B 3 -20.335 23.354 2.836 1.00 21.13 C ATOM 1501 CD2 PHE B 3 -18.493 23.765 1.394 1.00 52.22 C ATOM 1502 CE1 PHE B 3 -21.191 23.385 1.758 1.00 1.34 C ATOM 1503 CE2 PHE B 3 -19.342 23.799 0.309 1.00 1.34 C ATOM 1504 CZ PHE B 3 -20.694 23.611 0.491 1.00 21.32 C ATOM 0 H PHE B 3 -16.244 22.944 5.603 1.00 65.21 H new ATOM 0 HA PHE B 3 -18.658 21.629 4.605 1.00 54.33 H new ATOM 0 HB2 PHE B 3 -18.505 24.082 4.667 1.00 74.20 H new ATOM 0 HB3 PHE B 3 -17.126 24.021 3.587 1.00 74.20 H new ATOM 0 HD1 PHE B 3 -20.731 23.180 3.826 1.00 21.13 H new ATOM 0 HD2 PHE B 3 -17.434 23.914 1.247 1.00 52.22 H new ATOM 0 HE1 PHE B 3 -22.250 23.233 1.904 1.00 1.34 H new ATOM 0 HE2 PHE B 3 -18.948 23.973 -0.681 1.00 1.34 H new ATOM 0 HZ PHE B 3 -21.364 23.640 -0.356 1.00 21.32 H new ATOM 1514 N THR B 4 -17.139 19.992 3.450 1.00 34.15 N ATOM 1515 CA THR B 4 -16.523 19.036 2.573 1.00 61.23 C ATOM 1516 C THR B 4 -17.367 17.772 2.612 1.00 14.14 C ATOM 1517 O THR B 4 -17.713 17.302 3.695 1.00 53.22 O ATOM 1518 CB THR B 4 -15.085 18.691 3.074 1.00 3.21 C ATOM 1519 OG1 THR B 4 -14.310 19.899 3.219 1.00 10.23 O ATOM 1520 CG2 THR B 4 -14.372 17.755 2.102 1.00 10.10 C ATOM 0 H THR B 4 -17.715 19.566 4.176 1.00 34.15 H new ATOM 0 HA THR B 4 -16.457 19.444 1.564 1.00 61.23 H new ATOM 0 HB THR B 4 -15.179 18.191 4.038 1.00 3.21 H new ATOM 0 HG1 THR B 4 -13.410 19.674 3.535 1.00 10.23 H new ATOM 0 HG21 THR B 4 -13.373 17.533 2.478 1.00 10.10 H new ATOM 0 HG22 THR B 4 -14.939 16.829 2.007 1.00 10.10 H new ATOM 0 HG23 THR B 4 -14.294 18.234 1.126 1.00 10.10 H new ATOM 1528 N ASP B 5 -17.721 17.241 1.470 1.00 50.21 N ATOM 1529 CA ASP B 5 -18.492 16.022 1.452 1.00 2.14 C ATOM 1530 C ASP B 5 -17.563 14.849 1.372 1.00 23.53 C ATOM 1531 O ASP B 5 -16.624 14.830 0.556 1.00 41.12 O ATOM 1532 CB ASP B 5 -19.535 15.975 0.306 1.00 73.43 C ATOM 1533 CG ASP B 5 -18.939 15.957 -1.090 1.00 24.43 C ATOM 1534 OD1 ASP B 5 -18.637 17.051 -1.630 1.00 20.25 O ATOM 1535 OD2 ASP B 5 -18.794 14.853 -1.682 1.00 22.20 O ATOM 0 H ASP B 5 -17.493 17.625 0.553 1.00 50.21 H new ATOM 0 HA ASP B 5 -19.064 15.984 2.379 1.00 2.14 H new ATOM 0 HB2 ASP B 5 -20.156 15.088 0.433 1.00 73.43 H new ATOM 0 HB3 ASP B 5 -20.193 16.840 0.395 1.00 73.43 H new ATOM 1540 N GLU B 6 -17.770 13.896 2.235 1.00 43.34 N ATOM 1541 CA GLU B 6 -16.981 12.715 2.220 1.00 42.13 C ATOM 1542 C GLU B 6 -17.589 11.757 1.243 1.00 4.33 C ATOM 1543 O GLU B 6 -18.728 11.305 1.421 1.00 20.14 O ATOM 1544 CB GLU B 6 -16.884 12.089 3.614 1.00 72.44 C ATOM 1545 CG GLU B 6 -16.061 10.811 3.645 1.00 1.54 C ATOM 1546 CD GLU B 6 -15.928 10.229 5.024 1.00 51.35 C ATOM 1547 OE1 GLU B 6 -14.927 10.518 5.704 1.00 1.41 O ATOM 1548 OE2 GLU B 6 -16.811 9.462 5.446 1.00 53.21 O ATOM 0 H GLU B 6 -18.487 13.922 2.960 1.00 43.34 H new ATOM 0 HA GLU B 6 -15.964 12.961 1.916 1.00 42.13 H new ATOM 0 HB2 GLU B 6 -16.444 12.813 4.300 1.00 72.44 H new ATOM 0 HB3 GLU B 6 -17.889 11.875 3.979 1.00 72.44 H new ATOM 0 HG2 GLU B 6 -16.522 10.073 2.989 1.00 1.54 H new ATOM 0 HG3 GLU B 6 -15.067 11.016 3.246 1.00 1.54 H new ATOM 1555 N THR B 7 -16.876 11.473 0.202 1.00 53.43 N ATOM 1556 CA THR B 7 -17.363 10.587 -0.777 1.00 35.33 C ATOM 1557 C THR B 7 -17.148 9.156 -0.328 1.00 2.40 C ATOM 1558 O THR B 7 -16.037 8.635 -0.364 1.00 45.42 O ATOM 1559 CB THR B 7 -16.695 10.825 -2.134 1.00 50.20 C ATOM 1560 OG1 THR B 7 -16.910 12.194 -2.535 1.00 32.11 O ATOM 1561 CG2 THR B 7 -17.290 9.903 -3.187 1.00 4.44 C ATOM 0 H THR B 7 -15.947 11.851 0.016 1.00 53.43 H new ATOM 0 HA THR B 7 -18.430 10.771 -0.899 1.00 35.33 H new ATOM 0 HB THR B 7 -15.628 10.620 -2.042 1.00 50.20 H new ATOM 0 HG1 THR B 7 -16.483 12.352 -3.403 1.00 32.11 H new ATOM 0 HG21 THR B 7 -16.804 10.085 -4.146 1.00 4.44 H new ATOM 0 HG22 THR B 7 -17.134 8.865 -2.892 1.00 4.44 H new ATOM 0 HG23 THR B 7 -18.359 10.097 -3.279 1.00 4.44 H new ATOM 1569 N VAL B 8 -18.193 8.557 0.141 1.00 21.22 N ATOM 1570 CA VAL B 8 -18.146 7.193 0.546 1.00 0.24 C ATOM 1571 C VAL B 8 -18.283 6.291 -0.674 1.00 21.21 C ATOM 1572 O VAL B 8 -19.266 6.368 -1.430 1.00 40.30 O ATOM 1573 CB VAL B 8 -19.207 6.863 1.639 1.00 64.30 C ATOM 1574 CG1 VAL B 8 -18.863 7.587 2.926 1.00 1.14 C ATOM 1575 CG2 VAL B 8 -20.605 7.279 1.192 1.00 53.32 C ATOM 0 H VAL B 8 -19.104 9.001 0.254 1.00 21.22 H new ATOM 0 HA VAL B 8 -17.177 7.007 1.009 1.00 0.24 H new ATOM 0 HB VAL B 8 -19.197 5.785 1.802 1.00 64.30 H new ATOM 0 HG11 VAL B 8 -19.608 7.352 3.686 1.00 1.14 H new ATOM 0 HG12 VAL B 8 -17.880 7.268 3.271 1.00 1.14 H new ATOM 0 HG13 VAL B 8 -18.853 8.662 2.747 1.00 1.14 H new ATOM 0 HG21 VAL B 8 -21.324 7.037 1.974 1.00 53.32 H new ATOM 0 HG22 VAL B 8 -20.622 8.352 1.003 1.00 53.32 H new ATOM 0 HG23 VAL B 8 -20.869 6.746 0.279 1.00 53.32 H new ATOM 1585 N ARG B 9 -17.286 5.484 -0.907 1.00 43.23 N ATOM 1586 CA ARG B 9 -17.301 4.603 -2.041 1.00 0.14 C ATOM 1587 C ARG B 9 -18.017 3.311 -1.751 1.00 44.34 C ATOM 1588 O ARG B 9 -17.426 2.361 -1.258 1.00 45.13 O ATOM 1589 CB ARG B 9 -15.902 4.321 -2.656 1.00 32.35 C ATOM 1590 CG ARG B 9 -15.264 5.457 -3.477 1.00 64.13 C ATOM 1591 CD ARG B 9 -14.902 6.688 -2.660 1.00 61.12 C ATOM 1592 NE ARG B 9 -14.295 7.732 -3.510 1.00 11.03 N ATOM 1593 CZ ARG B 9 -13.685 8.842 -3.070 1.00 75.40 C ATOM 1594 NH1 ARG B 9 -13.609 9.091 -1.770 1.00 41.33 N ATOM 1595 NH2 ARG B 9 -13.165 9.707 -3.943 1.00 54.44 N ATOM 0 H ARG B 9 -16.451 5.418 -0.325 1.00 43.23 H new ATOM 0 HA ARG B 9 -17.862 5.152 -2.797 1.00 0.14 H new ATOM 0 HB2 ARG B 9 -15.220 4.063 -1.846 1.00 32.35 H new ATOM 0 HB3 ARG B 9 -15.983 3.443 -3.296 1.00 32.35 H new ATOM 0 HG2 ARG B 9 -14.364 5.079 -3.962 1.00 64.13 H new ATOM 0 HG3 ARG B 9 -15.954 5.750 -4.269 1.00 64.13 H new ATOM 0 HD2 ARG B 9 -15.796 7.083 -2.176 1.00 61.12 H new ATOM 0 HD3 ARG B 9 -14.207 6.411 -1.868 1.00 61.12 H new ATOM 0 HE ARG B 9 -14.344 7.597 -4.520 1.00 11.03 H new ATOM 0 HH11 ARG B 9 -14.015 8.437 -1.101 1.00 41.33 H new ATOM 0 HH12 ARG B 9 -13.144 9.936 -1.439 1.00 41.33 H new ATOM 0 HH21 ARG B 9 -13.232 9.524 -4.944 1.00 54.44 H new ATOM 0 HH22 ARG B 9 -12.701 10.552 -3.609 1.00 54.44 H new ATOM 1609 N PHE B 10 -19.314 3.307 -1.992 1.00 24.55 N ATOM 1610 CA PHE B 10 -20.083 2.072 -1.960 1.00 11.23 C ATOM 1611 C PHE B 10 -20.167 1.539 -3.367 1.00 13.32 C ATOM 1612 O PHE B 10 -20.755 0.498 -3.637 1.00 23.22 O ATOM 1613 CB PHE B 10 -21.479 2.257 -1.357 1.00 42.34 C ATOM 1614 CG PHE B 10 -21.474 2.567 0.113 1.00 63.22 C ATOM 1615 CD1 PHE B 10 -21.789 3.827 0.579 1.00 1.30 C ATOM 1616 CD2 PHE B 10 -21.151 1.583 1.030 1.00 73.53 C ATOM 1617 CE1 PHE B 10 -21.784 4.098 1.936 1.00 23.34 C ATOM 1618 CE2 PHE B 10 -21.142 1.847 2.382 1.00 53.21 C ATOM 1619 CZ PHE B 10 -21.459 3.107 2.836 1.00 4.41 C ATOM 0 H PHE B 10 -19.859 4.141 -2.212 1.00 24.55 H new ATOM 0 HA PHE B 10 -19.576 1.360 -1.310 1.00 11.23 H new ATOM 0 HB2 PHE B 10 -21.988 3.063 -1.886 1.00 42.34 H new ATOM 0 HB3 PHE B 10 -22.059 1.349 -1.524 1.00 42.34 H new ATOM 0 HD1 PHE B 10 -22.042 4.609 -0.122 1.00 1.30 H new ATOM 0 HD2 PHE B 10 -20.902 0.592 0.680 1.00 73.53 H new ATOM 0 HE1 PHE B 10 -22.035 5.087 2.290 1.00 23.34 H new ATOM 0 HE2 PHE B 10 -20.887 1.067 3.084 1.00 53.21 H new ATOM 0 HZ PHE B 10 -21.453 3.318 3.895 1.00 4.41 H new ATOM 1629 N ASP B 11 -19.583 2.302 -4.258 1.00 20.32 N ATOM 1630 CA ASP B 11 -19.440 1.950 -5.634 1.00 10.14 C ATOM 1631 C ASP B 11 -18.139 1.214 -5.763 1.00 23.14 C ATOM 1632 O ASP B 11 -17.059 1.813 -5.678 1.00 11.53 O ATOM 1633 CB ASP B 11 -19.422 3.208 -6.498 1.00 31.01 C ATOM 1634 CG ASP B 11 -19.267 2.920 -7.969 1.00 44.34 C ATOM 1635 OD1 ASP B 11 -18.148 3.041 -8.495 1.00 74.40 O ATOM 1636 OD2 ASP B 11 -20.273 2.597 -8.635 1.00 62.33 O ATOM 0 H ASP B 11 -19.184 3.213 -4.030 1.00 20.32 H new ATOM 0 HA ASP B 11 -20.272 1.330 -5.967 1.00 10.14 H new ATOM 0 HB2 ASP B 11 -20.347 3.762 -6.339 1.00 31.01 H new ATOM 0 HB3 ASP B 11 -18.605 3.852 -6.173 1.00 31.01 H new ATOM 1641 N PHE B 12 -18.235 -0.067 -5.891 1.00 51.43 N ATOM 1642 CA PHE B 12 -17.089 -0.911 -5.937 1.00 30.22 C ATOM 1643 C PHE B 12 -17.377 -2.069 -6.859 1.00 42.21 C ATOM 1644 O PHE B 12 -18.214 -2.926 -6.558 1.00 11.33 O ATOM 1645 CB PHE B 12 -16.792 -1.412 -4.513 1.00 32.25 C ATOM 1646 CG PHE B 12 -15.578 -2.282 -4.363 1.00 41.00 C ATOM 1647 CD1 PHE B 12 -14.342 -1.719 -4.119 1.00 50.14 C ATOM 1648 CD2 PHE B 12 -15.678 -3.664 -4.446 1.00 21.30 C ATOM 1649 CE1 PHE B 12 -13.229 -2.511 -3.964 1.00 40.12 C ATOM 1650 CE2 PHE B 12 -14.567 -4.458 -4.290 1.00 72.04 C ATOM 1651 CZ PHE B 12 -13.339 -3.880 -4.049 1.00 44.31 C ATOM 0 H PHE B 12 -19.123 -0.563 -5.968 1.00 51.43 H new ATOM 0 HA PHE B 12 -16.221 -0.369 -6.312 1.00 30.22 H new ATOM 0 HB2 PHE B 12 -16.677 -0.546 -3.861 1.00 32.25 H new ATOM 0 HB3 PHE B 12 -17.659 -1.967 -4.156 1.00 32.25 H new ATOM 0 HD1 PHE B 12 -14.248 -0.645 -4.049 1.00 50.14 H new ATOM 0 HD2 PHE B 12 -16.639 -4.120 -4.635 1.00 21.30 H new ATOM 0 HE1 PHE B 12 -12.267 -2.058 -3.775 1.00 40.12 H new ATOM 0 HE2 PHE B 12 -14.656 -5.532 -4.356 1.00 72.04 H new ATOM 0 HZ PHE B 12 -12.464 -4.501 -3.927 1.00 44.31 H new ATOM 1661 N ASP B 13 -16.741 -2.081 -7.990 1.00 73.44 N ATOM 1662 CA ASP B 13 -16.923 -3.167 -8.917 1.00 20.15 C ATOM 1663 C ASP B 13 -15.734 -4.084 -8.842 1.00 50.02 C ATOM 1664 O ASP B 13 -14.628 -3.709 -9.240 1.00 42.02 O ATOM 1665 CB ASP B 13 -17.156 -2.660 -10.342 1.00 33.14 C ATOM 1666 CG ASP B 13 -17.404 -3.783 -11.330 1.00 61.03 C ATOM 1667 OD1 ASP B 13 -18.405 -4.523 -11.168 1.00 23.55 O ATOM 1668 OD2 ASP B 13 -16.641 -3.908 -12.310 1.00 61.51 O ATOM 0 H ASP B 13 -16.092 -1.356 -8.297 1.00 73.44 H new ATOM 0 HA ASP B 13 -17.818 -3.724 -8.639 1.00 20.15 H new ATOM 0 HB2 ASP B 13 -18.010 -1.982 -10.347 1.00 33.14 H new ATOM 0 HB3 ASP B 13 -16.289 -2.083 -10.664 1.00 33.14 H new ATOM 1673 N ASP B 14 -15.956 -5.268 -8.292 1.00 22.31 N ATOM 1674 CA ASP B 14 -14.891 -6.244 -8.077 1.00 75.32 C ATOM 1675 C ASP B 14 -14.281 -6.661 -9.391 1.00 13.41 C ATOM 1676 O ASP B 14 -14.966 -7.194 -10.282 1.00 12.05 O ATOM 1677 CB ASP B 14 -15.407 -7.469 -7.320 1.00 1.33 C ATOM 1678 CG ASP B 14 -14.305 -8.468 -6.981 1.00 54.52 C ATOM 1679 OD1 ASP B 14 -13.951 -9.318 -7.846 1.00 21.34 O ATOM 1680 OD2 ASP B 14 -13.809 -8.444 -5.829 1.00 72.24 O ATOM 0 H ASP B 14 -16.876 -5.582 -7.982 1.00 22.31 H new ATOM 0 HA ASP B 14 -14.122 -5.769 -7.468 1.00 75.32 H new ATOM 0 HB2 ASP B 14 -15.890 -7.143 -6.399 1.00 1.33 H new ATOM 0 HB3 ASP B 14 -16.168 -7.966 -7.921 1.00 1.33 H new ATOM 1685 N ASN B 15 -13.019 -6.413 -9.512 1.00 65.25 N ATOM 1686 CA ASN B 15 -12.275 -6.706 -10.713 1.00 34.12 C ATOM 1687 C ASN B 15 -10.916 -7.176 -10.239 1.00 33.23 C ATOM 1688 O ASN B 15 -9.876 -7.012 -10.899 1.00 12.14 O ATOM 1689 CB ASN B 15 -12.158 -5.420 -11.567 1.00 61.21 C ATOM 1690 CG ASN B 15 -11.751 -5.653 -13.022 1.00 50.23 C ATOM 1691 OD1 ASN B 15 -11.056 -6.605 -13.364 1.00 43.53 O ATOM 1692 ND2 ASN B 15 -12.172 -4.766 -13.884 1.00 45.22 N ATOM 0 H ASN B 15 -12.457 -5.994 -8.771 1.00 65.25 H new ATOM 0 HA ASN B 15 -12.754 -7.463 -11.334 1.00 34.12 H new ATOM 0 HB2 ASN B 15 -13.117 -4.901 -11.551 1.00 61.21 H new ATOM 0 HB3 ASN B 15 -11.429 -4.757 -11.102 1.00 61.21 H new ATOM 0 HD21 ASN B 15 -11.924 -4.855 -14.869 1.00 45.22 H new ATOM 0 HD22 ASN B 15 -12.749 -3.985 -13.572 1.00 45.22 H new ATOM 1699 N ARG B 16 -10.932 -7.757 -9.059 1.00 5.14 N ATOM 1700 CA ARG B 16 -9.762 -8.312 -8.467 1.00 64.10 C ATOM 1701 C ARG B 16 -9.441 -9.602 -9.167 1.00 14.12 C ATOM 1702 O ARG B 16 -10.227 -10.556 -9.141 1.00 73.31 O ATOM 1703 CB ARG B 16 -9.969 -8.529 -6.978 1.00 13.12 C ATOM 1704 CG ARG B 16 -8.757 -9.088 -6.264 1.00 51.10 C ATOM 1705 CD ARG B 16 -8.983 -9.143 -4.776 1.00 3.44 C ATOM 1706 NE ARG B 16 -9.247 -7.809 -4.236 1.00 41.21 N ATOM 1707 CZ ARG B 16 -8.799 -7.343 -3.077 1.00 54.34 C ATOM 1708 NH1 ARG B 16 -8.031 -8.094 -2.295 1.00 15.35 N ATOM 1709 NH2 ARG B 16 -9.128 -6.119 -2.705 1.00 42.24 N ATOM 0 H ARG B 16 -11.772 -7.852 -8.488 1.00 5.14 H new ATOM 0 HA ARG B 16 -8.924 -7.624 -8.578 1.00 64.10 H new ATOM 0 HB2 ARG B 16 -10.244 -7.580 -6.518 1.00 13.12 H new ATOM 0 HB3 ARG B 16 -10.809 -9.209 -6.833 1.00 13.12 H new ATOM 0 HG2 ARG B 16 -8.539 -10.088 -6.639 1.00 51.10 H new ATOM 0 HG3 ARG B 16 -7.886 -8.469 -6.480 1.00 51.10 H new ATOM 0 HD2 ARG B 16 -9.824 -9.801 -4.556 1.00 3.44 H new ATOM 0 HD3 ARG B 16 -8.108 -9.570 -4.287 1.00 3.44 H new ATOM 0 HE ARG B 16 -9.825 -7.184 -4.798 1.00 41.21 H new ATOM 0 HH11 ARG B 16 -7.780 -9.040 -2.583 1.00 15.35 H new ATOM 0 HH12 ARG B 16 -7.693 -7.725 -1.406 1.00 15.35 H new ATOM 0 HH21 ARG B 16 -9.719 -5.545 -3.306 1.00 42.24 H new ATOM 0 HH22 ARG B 16 -8.791 -5.748 -1.817 1.00 42.24 H new ATOM 1723 N LYS B 17 -8.326 -9.609 -9.815 1.00 33.51 N ATOM 1724 CA LYS B 17 -7.890 -10.710 -10.595 1.00 23.13 C ATOM 1725 C LYS B 17 -6.408 -10.514 -10.787 1.00 64.11 C ATOM 1726 O LYS B 17 -5.926 -9.379 -10.643 1.00 73.12 O ATOM 1727 CB LYS B 17 -8.666 -10.697 -11.932 1.00 20.52 C ATOM 1728 CG LYS B 17 -8.416 -11.879 -12.855 1.00 61.44 C ATOM 1729 CD LYS B 17 -9.349 -11.855 -14.068 1.00 21.44 C ATOM 1730 CE LYS B 17 -10.817 -11.969 -13.643 1.00 43.33 C ATOM 1731 NZ LYS B 17 -11.744 -11.975 -14.793 1.00 65.33 N ATOM 0 H LYS B 17 -7.675 -8.824 -9.815 1.00 33.51 H new ATOM 0 HA LYS B 17 -8.074 -11.677 -10.127 1.00 23.13 H new ATOM 0 HB2 LYS B 17 -9.732 -10.652 -11.711 1.00 20.52 H new ATOM 0 HB3 LYS B 17 -8.413 -9.782 -12.468 1.00 20.52 H new ATOM 0 HG2 LYS B 17 -7.380 -11.865 -13.192 1.00 61.44 H new ATOM 0 HG3 LYS B 17 -8.559 -12.808 -12.304 1.00 61.44 H new ATOM 0 HD2 LYS B 17 -9.200 -10.930 -14.626 1.00 21.44 H new ATOM 0 HD3 LYS B 17 -9.098 -12.676 -14.739 1.00 21.44 H new ATOM 0 HE2 LYS B 17 -10.954 -12.884 -13.066 1.00 43.33 H new ATOM 0 HE3 LYS B 17 -11.066 -11.137 -12.985 1.00 43.33 H new ATOM 0 HZ1 LYS B 17 -12.723 -12.054 -14.450 1.00 65.33 H new ATOM 0 HZ2 LYS B 17 -11.636 -11.091 -15.331 1.00 65.33 H new ATOM 0 HZ3 LYS B 17 -11.527 -12.784 -15.409 1.00 65.33 H new ATOM 1745 N LYS B 18 -5.684 -11.564 -11.130 1.00 33.10 N ATOM 1746 CA LYS B 18 -4.219 -11.506 -11.210 1.00 51.21 C ATOM 1747 C LYS B 18 -3.704 -10.681 -12.403 1.00 32.11 C ATOM 1748 O LYS B 18 -2.527 -10.686 -12.712 1.00 13.23 O ATOM 1749 CB LYS B 18 -3.618 -12.908 -11.178 1.00 10.33 C ATOM 1750 CG LYS B 18 -3.979 -13.671 -9.903 1.00 13.53 C ATOM 1751 CD LYS B 18 -3.372 -15.064 -9.861 1.00 31.41 C ATOM 1752 CE LYS B 18 -3.893 -15.960 -10.977 1.00 51.24 C ATOM 1753 NZ LYS B 18 -3.276 -17.303 -10.925 1.00 3.32 N ATOM 0 H LYS B 18 -6.080 -12.475 -11.360 1.00 33.10 H new ATOM 0 HA LYS B 18 -3.878 -10.971 -10.324 1.00 51.21 H new ATOM 0 HB2 LYS B 18 -3.967 -13.469 -12.045 1.00 10.33 H new ATOM 0 HB3 LYS B 18 -2.533 -12.837 -11.260 1.00 10.33 H new ATOM 0 HG2 LYS B 18 -3.638 -13.104 -9.037 1.00 13.53 H new ATOM 0 HG3 LYS B 18 -5.063 -13.749 -9.826 1.00 13.53 H new ATOM 0 HD2 LYS B 18 -2.287 -14.987 -9.938 1.00 31.41 H new ATOM 0 HD3 LYS B 18 -3.592 -15.524 -8.897 1.00 31.41 H new ATOM 0 HE2 LYS B 18 -4.976 -16.052 -10.895 1.00 51.24 H new ATOM 0 HE3 LYS B 18 -3.684 -15.499 -11.943 1.00 51.24 H new ATOM 0 HZ1 LYS B 18 -3.652 -17.888 -11.698 1.00 3.32 H new ATOM 0 HZ2 LYS B 18 -2.245 -17.215 -11.027 1.00 3.32 H new ATOM 0 HZ3 LYS B 18 -3.497 -17.751 -10.013 1.00 3.32 H new ATOM 1767 N ALA B 19 -4.601 -9.975 -13.041 1.00 52.42 N ATOM 1768 CA ALA B 19 -4.278 -9.069 -14.114 1.00 52.34 C ATOM 1769 C ALA B 19 -3.624 -7.810 -13.588 1.00 33.24 C ATOM 1770 O ALA B 19 -2.879 -7.167 -14.299 1.00 65.25 O ATOM 1771 CB ALA B 19 -5.502 -8.684 -14.861 1.00 3.13 C ATOM 0 H ALA B 19 -5.597 -10.014 -12.825 1.00 52.42 H new ATOM 0 HA ALA B 19 -3.585 -9.589 -14.776 1.00 52.34 H new ATOM 0 HB1 ALA B 19 -5.236 -8.000 -15.667 1.00 3.13 H new ATOM 0 HB2 ALA B 19 -5.968 -9.576 -15.281 1.00 3.13 H new ATOM 0 HB3 ALA B 19 -6.202 -8.194 -14.184 1.00 3.13 H new ATOM 1777 N ILE B 20 -3.930 -7.455 -12.327 1.00 45.44 N ATOM 1778 CA ILE B 20 -3.439 -6.204 -11.707 1.00 42.20 C ATOM 1779 C ILE B 20 -1.915 -6.090 -11.828 1.00 51.22 C ATOM 1780 O ILE B 20 -1.366 -5.000 -12.051 1.00 42.24 O ATOM 1781 CB ILE B 20 -3.851 -6.105 -10.196 1.00 30.34 C ATOM 1782 CG1 ILE B 20 -5.382 -6.130 -10.043 1.00 54.22 C ATOM 1783 CG2 ILE B 20 -3.274 -4.845 -9.546 1.00 23.34 C ATOM 1784 CD1 ILE B 20 -5.861 -6.047 -8.599 1.00 20.01 C ATOM 0 H ILE B 20 -4.518 -8.018 -11.712 1.00 45.44 H new ATOM 0 HA ILE B 20 -3.904 -5.380 -12.248 1.00 42.20 H new ATOM 0 HB ILE B 20 -3.436 -6.973 -9.684 1.00 30.34 H new ATOM 0 HG12 ILE B 20 -5.807 -5.298 -10.604 1.00 54.22 H new ATOM 0 HG13 ILE B 20 -5.767 -7.046 -10.491 1.00 54.22 H new ATOM 0 HG21 ILE B 20 -3.577 -4.804 -8.500 1.00 23.34 H new ATOM 0 HG22 ILE B 20 -2.186 -4.869 -9.608 1.00 23.34 H new ATOM 0 HG23 ILE B 20 -3.648 -3.963 -10.066 1.00 23.34 H new ATOM 0 HD11 ILE B 20 -6.950 -6.070 -8.575 1.00 20.01 H new ATOM 0 HD12 ILE B 20 -5.468 -6.893 -8.036 1.00 20.01 H new ATOM 0 HD13 ILE B 20 -5.508 -5.118 -8.151 1.00 20.01 H new ATOM 1796 N SER B 21 -1.265 -7.213 -11.766 1.00 43.32 N ATOM 1797 CA SER B 21 0.181 -7.258 -11.801 1.00 34.04 C ATOM 1798 C SER B 21 0.708 -6.929 -13.188 1.00 61.43 C ATOM 1799 O SER B 21 1.768 -6.299 -13.341 1.00 33.30 O ATOM 1800 CB SER B 21 0.672 -8.611 -11.283 1.00 62.13 C ATOM 1801 OG SER B 21 -0.054 -9.667 -11.889 1.00 50.14 O ATOM 0 H SER B 21 -1.713 -8.126 -11.690 1.00 43.32 H new ATOM 0 HA SER B 21 0.581 -6.490 -11.138 1.00 34.04 H new ATOM 0 HB2 SER B 21 1.735 -8.724 -11.495 1.00 62.13 H new ATOM 0 HB3 SER B 21 0.556 -8.656 -10.200 1.00 62.13 H new ATOM 0 HG SER B 21 0.273 -10.526 -11.549 1.00 50.14 H new ATOM 1807 N GLU B 22 -0.052 -7.338 -14.171 1.00 35.22 N ATOM 1808 CA GLU B 22 0.207 -7.081 -15.567 1.00 15.11 C ATOM 1809 C GLU B 22 -0.162 -5.624 -15.886 1.00 52.21 C ATOM 1810 O GLU B 22 0.545 -4.924 -16.633 1.00 41.51 O ATOM 1811 CB GLU B 22 -0.654 -8.045 -16.381 1.00 23.41 C ATOM 1812 CG GLU B 22 -0.503 -7.971 -17.879 1.00 44.42 C ATOM 1813 CD GLU B 22 -1.417 -8.946 -18.567 1.00 31.24 C ATOM 1814 OE1 GLU B 22 -2.468 -8.521 -19.091 1.00 30.21 O ATOM 1815 OE2 GLU B 22 -1.114 -10.169 -18.573 1.00 20.30 O ATOM 0 H GLU B 22 -0.902 -7.881 -14.016 1.00 35.22 H new ATOM 0 HA GLU B 22 1.259 -7.230 -15.810 1.00 15.11 H new ATOM 0 HB2 GLU B 22 -0.423 -9.062 -16.063 1.00 23.41 H new ATOM 0 HB3 GLU B 22 -1.700 -7.863 -16.133 1.00 23.41 H new ATOM 0 HG2 GLU B 22 -0.724 -6.959 -18.220 1.00 44.42 H new ATOM 0 HG3 GLU B 22 0.531 -8.182 -18.154 1.00 44.42 H new ATOM 1822 N THR B 23 -1.260 -5.177 -15.289 1.00 10.21 N ATOM 1823 CA THR B 23 -1.776 -3.844 -15.478 1.00 21.54 C ATOM 1824 C THR B 23 -0.753 -2.776 -15.073 1.00 73.54 C ATOM 1825 O THR B 23 -0.391 -1.926 -15.883 1.00 75.53 O ATOM 1826 CB THR B 23 -3.080 -3.658 -14.658 1.00 44.22 C ATOM 1827 OG1 THR B 23 -4.086 -4.583 -15.111 1.00 30.10 O ATOM 1828 CG2 THR B 23 -3.602 -2.235 -14.755 1.00 75.22 C ATOM 0 H THR B 23 -1.819 -5.745 -14.652 1.00 10.21 H new ATOM 0 HA THR B 23 -1.988 -3.720 -16.540 1.00 21.54 H new ATOM 0 HB THR B 23 -2.847 -3.859 -13.612 1.00 44.22 H new ATOM 0 HG1 THR B 23 -3.814 -5.498 -14.887 1.00 30.10 H new ATOM 0 HG21 THR B 23 -4.516 -2.142 -14.168 1.00 75.22 H new ATOM 0 HG22 THR B 23 -2.851 -1.545 -14.369 1.00 75.22 H new ATOM 0 HG23 THR B 23 -3.814 -1.995 -15.797 1.00 75.22 H new ATOM 1836 N LEU B 24 -0.242 -2.858 -13.853 1.00 65.44 N ATOM 1837 CA LEU B 24 0.710 -1.858 -13.377 1.00 13.31 C ATOM 1838 C LEU B 24 2.051 -1.954 -14.070 1.00 30.23 C ATOM 1839 O LEU B 24 2.744 -0.953 -14.220 1.00 0.33 O ATOM 1840 CB LEU B 24 0.849 -1.808 -11.847 1.00 12.25 C ATOM 1841 CG LEU B 24 -0.312 -1.165 -11.054 1.00 34.25 C ATOM 1842 CD1 LEU B 24 -1.621 -1.917 -11.211 1.00 24.52 C ATOM 1843 CD2 LEU B 24 0.062 -1.038 -9.597 1.00 73.45 C ATOM 0 H LEU B 24 -0.464 -3.593 -13.182 1.00 65.44 H new ATOM 0 HA LEU B 24 0.275 -0.900 -13.660 1.00 13.31 H new ATOM 0 HB2 LEU B 24 0.981 -2.828 -11.486 1.00 12.25 H new ATOM 0 HB3 LEU B 24 1.763 -1.265 -11.608 1.00 12.25 H new ATOM 0 HG LEU B 24 -0.476 -0.172 -11.473 1.00 34.25 H new ATOM 0 HD11 LEU B 24 -2.399 -1.419 -10.632 1.00 24.52 H new ATOM 0 HD12 LEU B 24 -1.907 -1.934 -12.263 1.00 24.52 H new ATOM 0 HD13 LEU B 24 -1.499 -2.939 -10.851 1.00 24.52 H new ATOM 0 HD21 LEU B 24 -0.763 -0.584 -9.048 1.00 73.45 H new ATOM 0 HD22 LEU B 24 0.270 -2.026 -9.187 1.00 73.45 H new ATOM 0 HD23 LEU B 24 0.949 -0.412 -9.502 1.00 73.45 H new ATOM 1855 N GLU B 25 2.409 -3.156 -14.499 1.00 3.42 N ATOM 1856 CA GLU B 25 3.640 -3.382 -15.246 1.00 15.42 C ATOM 1857 C GLU B 25 3.552 -2.548 -16.544 1.00 14.50 C ATOM 1858 O GLU B 25 4.504 -1.877 -16.943 1.00 54.34 O ATOM 1859 CB GLU B 25 3.768 -4.912 -15.499 1.00 33.14 C ATOM 1860 CG GLU B 25 5.078 -5.440 -16.105 1.00 1.23 C ATOM 1861 CD GLU B 25 5.293 -5.096 -17.558 1.00 44.43 C ATOM 1862 OE1 GLU B 25 6.178 -4.296 -17.864 1.00 12.22 O ATOM 1863 OE2 GLU B 25 4.579 -5.654 -18.422 1.00 62.01 O ATOM 0 H GLU B 25 1.858 -3.999 -14.340 1.00 3.42 H new ATOM 0 HA GLU B 25 4.535 -3.067 -14.710 1.00 15.42 H new ATOM 0 HB2 GLU B 25 3.612 -5.421 -14.548 1.00 33.14 H new ATOM 0 HB3 GLU B 25 2.952 -5.210 -16.158 1.00 33.14 H new ATOM 0 HG2 GLU B 25 5.913 -5.045 -15.526 1.00 1.23 H new ATOM 0 HG3 GLU B 25 5.099 -6.524 -15.997 1.00 1.23 H new ATOM 1870 N THR B 26 2.367 -2.545 -17.125 1.00 51.23 N ATOM 1871 CA THR B 26 2.068 -1.776 -18.309 1.00 71.30 C ATOM 1872 C THR B 26 2.007 -0.260 -17.986 1.00 61.35 C ATOM 1873 O THR B 26 2.504 0.577 -18.765 1.00 62.23 O ATOM 1874 CB THR B 26 0.729 -2.257 -18.896 1.00 34.22 C ATOM 1875 OG1 THR B 26 0.840 -3.665 -19.177 1.00 60.53 O ATOM 1876 CG2 THR B 26 0.393 -1.514 -20.180 1.00 40.20 C ATOM 0 H THR B 26 1.575 -3.087 -16.779 1.00 51.23 H new ATOM 0 HA THR B 26 2.862 -1.925 -19.041 1.00 71.30 H new ATOM 0 HB THR B 26 -0.066 -2.064 -18.176 1.00 34.22 H new ATOM 0 HG1 THR B 26 0.766 -4.172 -18.342 1.00 60.53 H new ATOM 0 HG21 THR B 26 -0.558 -1.875 -20.571 1.00 40.20 H new ATOM 0 HG22 THR B 26 0.318 -0.446 -19.974 1.00 40.20 H new ATOM 0 HG23 THR B 26 1.178 -1.687 -20.917 1.00 40.20 H new ATOM 1884 N VAL B 27 1.418 0.081 -16.833 1.00 74.40 N ATOM 1885 CA VAL B 27 1.302 1.478 -16.394 1.00 42.23 C ATOM 1886 C VAL B 27 2.689 2.096 -16.204 1.00 2.12 C ATOM 1887 O VAL B 27 2.914 3.259 -16.550 1.00 64.33 O ATOM 1888 CB VAL B 27 0.474 1.627 -15.073 1.00 40.25 C ATOM 1889 CG1 VAL B 27 0.349 3.087 -14.686 1.00 64.52 C ATOM 1890 CG2 VAL B 27 -0.913 1.023 -15.215 1.00 32.32 C ATOM 0 H VAL B 27 1.013 -0.594 -16.185 1.00 74.40 H new ATOM 0 HA VAL B 27 0.765 2.009 -17.180 1.00 42.23 H new ATOM 0 HB VAL B 27 1.009 1.087 -14.292 1.00 40.25 H new ATOM 0 HG11 VAL B 27 -0.229 3.171 -13.766 1.00 64.52 H new ATOM 0 HG12 VAL B 27 1.342 3.508 -14.530 1.00 64.52 H new ATOM 0 HG13 VAL B 27 -0.156 3.633 -15.483 1.00 64.52 H new ATOM 0 HG21 VAL B 27 -1.460 1.144 -14.280 1.00 32.32 H new ATOM 0 HG22 VAL B 27 -1.450 1.529 -16.018 1.00 32.32 H new ATOM 0 HG23 VAL B 27 -0.826 -0.038 -15.450 1.00 32.32 H new ATOM 1900 N TYR B 28 3.620 1.301 -15.689 1.00 40.01 N ATOM 1901 CA TYR B 28 4.980 1.764 -15.471 1.00 22.33 C ATOM 1902 C TYR B 28 5.602 2.207 -16.790 1.00 62.31 C ATOM 1903 O TYR B 28 6.180 3.288 -16.883 1.00 50.33 O ATOM 1904 CB TYR B 28 5.856 0.669 -14.811 1.00 71.25 C ATOM 1905 CG TYR B 28 7.291 1.126 -14.516 1.00 41.53 C ATOM 1906 CD1 TYR B 28 8.293 0.984 -15.466 1.00 30.45 C ATOM 1907 CD2 TYR B 28 7.629 1.722 -13.298 1.00 34.31 C ATOM 1908 CE1 TYR B 28 9.579 1.417 -15.222 1.00 72.12 C ATOM 1909 CE2 TYR B 28 8.922 2.170 -13.050 1.00 70.20 C ATOM 1910 CZ TYR B 28 9.890 2.011 -14.019 1.00 44.35 C ATOM 1911 OH TYR B 28 11.168 2.471 -13.801 1.00 63.12 O ATOM 0 H TYR B 28 3.455 0.332 -15.415 1.00 40.01 H new ATOM 0 HA TYR B 28 4.937 2.613 -14.789 1.00 22.33 H new ATOM 0 HB2 TYR B 28 5.386 0.351 -13.880 1.00 71.25 H new ATOM 0 HB3 TYR B 28 5.888 -0.202 -15.465 1.00 71.25 H new ATOM 0 HD1 TYR B 28 8.061 0.525 -16.416 1.00 30.45 H new ATOM 0 HD2 TYR B 28 6.873 1.837 -12.536 1.00 34.31 H new ATOM 0 HE1 TYR B 28 10.343 1.290 -15.975 1.00 72.12 H new ATOM 0 HE2 TYR B 28 9.166 2.638 -12.108 1.00 70.20 H new ATOM 0 HH TYR B 28 11.428 3.072 -14.530 1.00 63.12 H new ATOM 1921 N ARG B 29 5.433 1.379 -17.808 1.00 41.22 N ATOM 1922 CA ARG B 29 6.019 1.628 -19.122 1.00 64.24 C ATOM 1923 C ARG B 29 5.461 2.912 -19.714 1.00 72.00 C ATOM 1924 O ARG B 29 6.183 3.680 -20.331 1.00 63.02 O ATOM 1925 CB ARG B 29 5.719 0.462 -20.072 1.00 63.22 C ATOM 1926 CG ARG B 29 6.069 -0.907 -19.517 1.00 12.34 C ATOM 1927 CD ARG B 29 7.534 -1.031 -19.139 1.00 25.31 C ATOM 1928 NE ARG B 29 7.806 -2.332 -18.535 1.00 44.02 N ATOM 1929 CZ ARG B 29 8.991 -2.805 -18.153 1.00 62.22 C ATOM 1930 NH1 ARG B 29 10.093 -2.058 -18.253 1.00 71.31 N ATOM 1931 NH2 ARG B 29 9.059 -4.029 -17.657 1.00 24.53 N ATOM 0 H ARG B 29 4.889 0.518 -17.751 1.00 41.22 H new ATOM 0 HA ARG B 29 7.098 1.724 -19.000 1.00 64.24 H new ATOM 0 HB2 ARG B 29 4.659 0.478 -20.323 1.00 63.22 H new ATOM 0 HB3 ARG B 29 6.269 0.615 -21.000 1.00 63.22 H new ATOM 0 HG2 ARG B 29 5.454 -1.106 -18.640 1.00 12.34 H new ATOM 0 HG3 ARG B 29 5.824 -1.668 -20.258 1.00 12.34 H new ATOM 0 HD2 ARG B 29 8.155 -0.900 -20.025 1.00 25.31 H new ATOM 0 HD3 ARG B 29 7.802 -0.238 -18.441 1.00 25.31 H new ATOM 0 HE ARG B 29 7.003 -2.944 -18.390 1.00 44.02 H new ATOM 0 HH11 ARG B 29 10.035 -1.111 -18.626 1.00 71.31 H new ATOM 0 HH12 ARG B 29 10.993 -2.435 -17.956 1.00 71.31 H new ATOM 0 HH21 ARG B 29 8.213 -4.593 -17.573 1.00 24.53 H new ATOM 0 HH22 ARG B 29 9.957 -4.409 -17.359 1.00 24.53 H new ATOM 1945 N ALA B 30 4.172 3.146 -19.474 1.00 35.14 N ATOM 1946 CA ALA B 30 3.467 4.309 -19.998 1.00 31.13 C ATOM 1947 C ALA B 30 4.140 5.618 -19.594 1.00 60.50 C ATOM 1948 O ALA B 30 4.408 6.472 -20.442 1.00 2.23 O ATOM 1949 CB ALA B 30 2.015 4.297 -19.544 1.00 41.24 C ATOM 0 H ALA B 30 3.587 2.531 -18.908 1.00 35.14 H new ATOM 0 HA ALA B 30 3.502 4.248 -21.086 1.00 31.13 H new ATOM 0 HB1 ALA B 30 1.502 5.172 -19.943 1.00 41.24 H new ATOM 0 HB2 ALA B 30 1.527 3.393 -19.908 1.00 41.24 H new ATOM 0 HB3 ALA B 30 1.974 4.318 -18.455 1.00 41.24 H new ATOM 1955 N LEU B 31 4.430 5.772 -18.311 1.00 64.42 N ATOM 1956 CA LEU B 31 5.056 6.994 -17.853 1.00 10.51 C ATOM 1957 C LEU B 31 6.509 7.103 -18.239 1.00 44.12 C ATOM 1958 O LEU B 31 7.019 8.209 -18.383 1.00 12.41 O ATOM 1959 CB LEU B 31 4.819 7.339 -16.384 1.00 60.14 C ATOM 1960 CG LEU B 31 3.377 7.657 -15.992 1.00 13.04 C ATOM 1961 CD1 LEU B 31 2.527 6.418 -15.799 1.00 1.25 C ATOM 1962 CD2 LEU B 31 3.317 8.570 -14.805 1.00 40.01 C ATOM 0 H LEU B 31 4.245 5.080 -17.585 1.00 64.42 H new ATOM 0 HA LEU B 31 4.523 7.768 -18.405 1.00 10.51 H new ATOM 0 HB2 LEU B 31 5.163 6.503 -15.775 1.00 60.14 H new ATOM 0 HB3 LEU B 31 5.441 8.197 -16.128 1.00 60.14 H new ATOM 0 HG LEU B 31 2.940 8.189 -16.837 1.00 13.04 H new ATOM 0 HD11 LEU B 31 1.514 6.711 -15.522 1.00 1.25 H new ATOM 0 HD12 LEU B 31 2.498 5.848 -16.728 1.00 1.25 H new ATOM 0 HD13 LEU B 31 2.956 5.802 -15.008 1.00 1.25 H new ATOM 0 HD21 LEU B 31 2.276 8.774 -14.555 1.00 40.01 H new ATOM 0 HD22 LEU B 31 3.808 8.095 -13.955 1.00 40.01 H new ATOM 0 HD23 LEU B 31 3.824 9.506 -15.040 1.00 40.01 H new ATOM 1974 N GLU B 32 7.180 5.973 -18.389 1.00 15.11 N ATOM 1975 CA GLU B 32 8.570 5.966 -18.844 1.00 10.43 C ATOM 1976 C GLU B 32 8.675 6.551 -20.253 1.00 53.54 C ATOM 1977 O GLU B 32 9.640 7.249 -20.586 1.00 53.20 O ATOM 1978 CB GLU B 32 9.139 4.557 -18.803 1.00 24.12 C ATOM 1979 CG GLU B 32 9.239 3.983 -17.404 1.00 55.41 C ATOM 1980 CD GLU B 32 10.247 4.708 -16.534 1.00 75.25 C ATOM 1981 OE1 GLU B 32 11.379 4.176 -16.345 1.00 1.14 O ATOM 1982 OE2 GLU B 32 9.949 5.812 -16.042 1.00 1.53 O ATOM 0 H GLU B 32 6.791 5.049 -18.204 1.00 15.11 H new ATOM 0 HA GLU B 32 9.157 6.590 -18.170 1.00 10.43 H new ATOM 0 HB2 GLU B 32 8.513 3.904 -19.411 1.00 24.12 H new ATOM 0 HB3 GLU B 32 10.130 4.561 -19.257 1.00 24.12 H new ATOM 0 HG2 GLU B 32 8.259 4.028 -16.929 1.00 55.41 H new ATOM 0 HG3 GLU B 32 9.514 2.930 -17.469 1.00 55.41 H new ATOM 1989 N GLU B 33 7.662 6.288 -21.062 1.00 32.33 N ATOM 1990 CA GLU B 33 7.593 6.806 -22.425 1.00 63.52 C ATOM 1991 C GLU B 33 7.274 8.309 -22.401 1.00 63.23 C ATOM 1992 O GLU B 33 7.666 9.064 -23.299 1.00 31.32 O ATOM 1993 CB GLU B 33 6.488 6.079 -23.205 1.00 30.51 C ATOM 1994 CG GLU B 33 6.636 4.565 -23.261 1.00 21.55 C ATOM 1995 CD GLU B 33 7.879 4.110 -23.972 1.00 25.11 C ATOM 1996 OE1 GLU B 33 8.950 4.041 -23.347 1.00 15.20 O ATOM 1997 OE2 GLU B 33 7.802 3.798 -25.173 1.00 75.03 O ATOM 0 H GLU B 33 6.864 5.711 -20.796 1.00 32.33 H new ATOM 0 HA GLU B 33 8.556 6.642 -22.908 1.00 63.52 H new ATOM 0 HB2 GLU B 33 5.526 6.319 -22.753 1.00 30.51 H new ATOM 0 HB3 GLU B 33 6.467 6.466 -24.224 1.00 30.51 H new ATOM 0 HG2 GLU B 33 6.643 4.171 -22.245 1.00 21.55 H new ATOM 0 HG3 GLU B 33 5.765 4.141 -23.761 1.00 21.55 H new ATOM 2004 N LYS B 34 6.581 8.731 -21.355 1.00 33.41 N ATOM 2005 CA LYS B 34 6.123 10.111 -21.217 1.00 0.13 C ATOM 2006 C LYS B 34 7.088 10.969 -20.399 1.00 51.14 C ATOM 2007 O LYS B 34 6.906 12.182 -20.289 1.00 12.31 O ATOM 2008 CB LYS B 34 4.724 10.129 -20.595 1.00 62.33 C ATOM 2009 CG LYS B 34 3.664 9.449 -21.455 1.00 45.42 C ATOM 2010 CD LYS B 34 3.416 10.207 -22.755 1.00 0.22 C ATOM 2011 CE LYS B 34 2.707 11.526 -22.507 1.00 34.13 C ATOM 2012 NZ LYS B 34 2.522 12.296 -23.750 1.00 73.12 N ATOM 0 H LYS B 34 6.318 8.128 -20.575 1.00 33.41 H new ATOM 0 HA LYS B 34 6.086 10.549 -22.214 1.00 0.13 H new ATOM 0 HB2 LYS B 34 4.761 9.637 -19.623 1.00 62.33 H new ATOM 0 HB3 LYS B 34 4.428 11.163 -20.418 1.00 62.33 H new ATOM 0 HG2 LYS B 34 3.979 8.431 -21.683 1.00 45.42 H new ATOM 0 HG3 LYS B 34 2.733 9.376 -20.894 1.00 45.42 H new ATOM 0 HD2 LYS B 34 4.366 10.393 -23.255 1.00 0.22 H new ATOM 0 HD3 LYS B 34 2.817 9.592 -23.427 1.00 0.22 H new ATOM 0 HE2 LYS B 34 1.736 11.335 -22.051 1.00 34.13 H new ATOM 0 HE3 LYS B 34 3.282 12.119 -21.796 1.00 34.13 H new ATOM 0 HZ1 LYS B 34 2.034 13.189 -23.536 1.00 73.12 H new ATOM 0 HZ2 LYS B 34 3.450 12.501 -24.173 1.00 73.12 H new ATOM 0 HZ3 LYS B 34 1.951 11.742 -24.420 1.00 73.12 H new ATOM 2026 N GLY B 35 8.089 10.338 -19.824 1.00 53.44 N ATOM 2027 CA GLY B 35 9.084 11.055 -19.050 1.00 71.15 C ATOM 2028 C GLY B 35 8.558 11.544 -17.717 1.00 24.44 C ATOM 2029 O GLY B 35 8.922 12.626 -17.260 1.00 60.35 O ATOM 0 H GLY B 35 8.237 9.330 -19.877 1.00 53.44 H new ATOM 0 HA2 GLY B 35 9.941 10.404 -18.879 1.00 71.15 H new ATOM 0 HA3 GLY B 35 9.441 11.907 -19.628 1.00 71.15 H new ATOM 2033 N TYR B 36 7.705 10.764 -17.097 1.00 1.32 N ATOM 2034 CA TYR B 36 7.159 11.126 -15.799 1.00 41.24 C ATOM 2035 C TYR B 36 7.528 10.077 -14.780 1.00 43.35 C ATOM 2036 O TYR B 36 8.265 9.155 -15.095 1.00 64.55 O ATOM 2037 CB TYR B 36 5.640 11.315 -15.854 1.00 11.15 C ATOM 2038 CG TYR B 36 5.189 12.405 -16.786 1.00 14.21 C ATOM 2039 CD1 TYR B 36 4.345 12.126 -17.839 1.00 42.13 C ATOM 2040 CD2 TYR B 36 5.622 13.715 -16.619 1.00 4.11 C ATOM 2041 CE1 TYR B 36 3.937 13.115 -18.705 1.00 64.23 C ATOM 2042 CE2 TYR B 36 5.219 14.712 -17.481 1.00 32.15 C ATOM 2043 CZ TYR B 36 4.376 14.405 -18.522 1.00 41.22 C ATOM 2044 OH TYR B 36 3.972 15.393 -19.390 1.00 65.43 O ATOM 0 H TYR B 36 7.370 9.874 -17.465 1.00 1.32 H new ATOM 0 HA TYR B 36 7.592 12.082 -15.504 1.00 41.24 H new ATOM 0 HB2 TYR B 36 5.179 10.376 -16.161 1.00 11.15 H new ATOM 0 HB3 TYR B 36 5.276 11.536 -14.851 1.00 11.15 H new ATOM 0 HD1 TYR B 36 3.998 11.114 -17.987 1.00 42.13 H new ATOM 0 HD2 TYR B 36 6.285 13.956 -15.801 1.00 4.11 H new ATOM 0 HE1 TYR B 36 3.275 12.879 -19.525 1.00 64.23 H new ATOM 0 HE2 TYR B 36 5.563 15.726 -17.340 1.00 32.15 H new ATOM 0 HH TYR B 36 4.370 16.247 -19.121 1.00 65.43 H new ATOM 2054 N ASN B 37 7.051 10.223 -13.571 1.00 4.01 N ATOM 2055 CA ASN B 37 7.331 9.259 -12.518 1.00 64.42 C ATOM 2056 C ASN B 37 6.162 8.301 -12.369 1.00 35.13 C ATOM 2057 O ASN B 37 5.138 8.652 -11.770 1.00 64.40 O ATOM 2058 CB ASN B 37 7.634 9.961 -11.184 1.00 0.41 C ATOM 2059 CG ASN B 37 8.918 10.766 -11.209 1.00 24.21 C ATOM 2060 OD1 ASN B 37 8.918 11.949 -11.547 1.00 13.21 O ATOM 2061 ND2 ASN B 37 10.015 10.144 -10.854 1.00 54.33 N ATOM 0 H ASN B 37 6.462 11.004 -13.282 1.00 4.01 H new ATOM 0 HA ASN B 37 8.219 8.692 -12.799 1.00 64.42 H new ATOM 0 HB2 ASN B 37 6.804 10.621 -10.932 1.00 0.41 H new ATOM 0 HB3 ASN B 37 7.697 9.213 -10.394 1.00 0.41 H new ATOM 0 HD21 ASN B 37 10.905 10.641 -10.852 1.00 54.33 H new ATOM 0 HD22 ASN B 37 9.979 9.162 -10.579 1.00 54.33 H new ATOM 2068 N PRO B 38 6.287 7.073 -12.934 1.00 45.53 N ATOM 2069 CA PRO B 38 5.199 6.095 -12.952 1.00 51.33 C ATOM 2070 C PRO B 38 4.673 5.745 -11.583 1.00 55.33 C ATOM 2071 O PRO B 38 3.471 5.688 -11.380 1.00 34.22 O ATOM 2072 CB PRO B 38 5.819 4.854 -13.594 1.00 0.42 C ATOM 2073 CG PRO B 38 7.059 5.312 -14.279 1.00 22.11 C ATOM 2074 CD PRO B 38 7.506 6.564 -13.593 1.00 42.41 C ATOM 0 HA PRO B 38 4.340 6.498 -13.489 1.00 51.33 H new ATOM 0 HB2 PRO B 38 6.047 4.100 -12.841 1.00 0.42 H new ATOM 0 HB3 PRO B 38 5.129 4.398 -14.304 1.00 0.42 H new ATOM 0 HG2 PRO B 38 7.833 4.547 -14.226 1.00 22.11 H new ATOM 0 HG3 PRO B 38 6.868 5.499 -15.336 1.00 22.11 H new ATOM 0 HD2 PRO B 38 8.295 6.361 -12.869 1.00 42.41 H new ATOM 0 HD3 PRO B 38 7.905 7.287 -14.305 1.00 42.41 H new ATOM 2082 N ILE B 39 5.563 5.586 -10.636 1.00 24.13 N ATOM 2083 CA ILE B 39 5.180 5.152 -9.306 1.00 15.52 C ATOM 2084 C ILE B 39 4.407 6.239 -8.607 1.00 12.21 C ATOM 2085 O ILE B 39 3.335 6.000 -8.042 1.00 22.02 O ATOM 2086 CB ILE B 39 6.417 4.801 -8.453 1.00 1.34 C ATOM 2087 CG1 ILE B 39 7.287 3.761 -9.167 1.00 4.31 C ATOM 2088 CG2 ILE B 39 5.981 4.285 -7.090 1.00 34.25 C ATOM 2089 CD1 ILE B 39 6.607 2.434 -9.379 1.00 4.54 C ATOM 0 H ILE B 39 6.562 5.750 -10.757 1.00 24.13 H new ATOM 0 HA ILE B 39 4.561 4.262 -9.418 1.00 15.52 H new ATOM 0 HB ILE B 39 7.012 5.704 -8.313 1.00 1.34 H new ATOM 0 HG12 ILE B 39 7.592 4.160 -10.135 1.00 4.31 H new ATOM 0 HG13 ILE B 39 8.196 3.603 -8.587 1.00 4.31 H new ATOM 0 HG21 ILE B 39 6.861 4.040 -6.495 1.00 34.25 H new ATOM 0 HG22 ILE B 39 5.400 5.053 -6.579 1.00 34.25 H new ATOM 0 HG23 ILE B 39 5.369 3.392 -7.218 1.00 34.25 H new ATOM 0 HD11 ILE B 39 7.288 1.754 -9.890 1.00 4.54 H new ATOM 0 HD12 ILE B 39 6.327 2.011 -8.414 1.00 4.54 H new ATOM 0 HD13 ILE B 39 5.713 2.576 -9.986 1.00 4.54 H new ATOM 2101 N ASN B 40 4.936 7.435 -8.689 1.00 64.32 N ATOM 2102 CA ASN B 40 4.378 8.576 -7.996 1.00 15.23 C ATOM 2103 C ASN B 40 3.012 8.943 -8.511 1.00 44.53 C ATOM 2104 O ASN B 40 2.155 9.400 -7.754 1.00 3.44 O ATOM 2105 CB ASN B 40 5.339 9.758 -8.024 1.00 2.21 C ATOM 2106 CG ASN B 40 6.655 9.378 -7.392 1.00 1.33 C ATOM 2107 OD1 ASN B 40 7.586 8.937 -8.076 1.00 31.52 O ATOM 2108 ND2 ASN B 40 6.739 9.506 -6.100 1.00 14.24 N ATOM 0 H ASN B 40 5.768 7.648 -9.239 1.00 64.32 H new ATOM 0 HA ASN B 40 4.243 8.289 -6.953 1.00 15.23 H new ATOM 0 HB2 ASN B 40 5.501 10.079 -9.053 1.00 2.21 H new ATOM 0 HB3 ASN B 40 4.903 10.603 -7.491 1.00 2.21 H new ATOM 0 HD21 ASN B 40 7.596 9.238 -5.616 1.00 14.24 H new ATOM 0 HD22 ASN B 40 5.948 9.874 -5.571 1.00 14.24 H new ATOM 2115 N GLN B 41 2.788 8.745 -9.784 1.00 55.43 N ATOM 2116 CA GLN B 41 1.487 9.004 -10.328 1.00 63.51 C ATOM 2117 C GLN B 41 0.481 7.901 -9.933 1.00 54.13 C ATOM 2118 O GLN B 41 -0.697 8.180 -9.704 1.00 5.30 O ATOM 2119 CB GLN B 41 1.560 9.242 -11.820 1.00 51.31 C ATOM 2120 CG GLN B 41 2.434 10.450 -12.190 1.00 20.14 C ATOM 2121 CD GLN B 41 1.939 11.777 -11.617 1.00 4.33 C ATOM 2122 OE1 GLN B 41 2.736 12.672 -11.315 1.00 24.35 O ATOM 2123 NE2 GLN B 41 0.647 11.942 -11.517 1.00 73.32 N ATOM 0 H GLN B 41 3.481 8.410 -10.453 1.00 55.43 H new ATOM 0 HA GLN B 41 1.107 9.926 -9.889 1.00 63.51 H new ATOM 0 HB2 GLN B 41 1.956 8.351 -12.306 1.00 51.31 H new ATOM 0 HB3 GLN B 41 0.553 9.396 -12.208 1.00 51.31 H new ATOM 0 HG2 GLN B 41 3.450 10.271 -11.838 1.00 20.14 H new ATOM 0 HG3 GLN B 41 2.482 10.531 -13.276 1.00 20.14 H new ATOM 0 HE21 GLN B 41 0.015 11.184 -11.774 1.00 73.32 H new ATOM 0 HE22 GLN B 41 0.271 12.829 -11.182 1.00 73.32 H new ATOM 2132 N ILE B 42 0.965 6.651 -9.823 1.00 34.53 N ATOM 2133 CA ILE B 42 0.117 5.524 -9.391 1.00 32.31 C ATOM 2134 C ILE B 42 -0.353 5.733 -7.947 1.00 2.23 C ATOM 2135 O ILE B 42 -1.550 5.646 -7.660 1.00 33.43 O ATOM 2136 CB ILE B 42 0.835 4.138 -9.526 1.00 75.24 C ATOM 2137 CG1 ILE B 42 1.139 3.834 -11.001 1.00 60.32 C ATOM 2138 CG2 ILE B 42 -0.014 3.016 -8.917 1.00 61.23 C ATOM 2139 CD1 ILE B 42 1.883 2.526 -11.228 1.00 13.14 C ATOM 0 H ILE B 42 1.932 6.396 -10.025 1.00 34.53 H new ATOM 0 HA ILE B 42 -0.744 5.505 -10.059 1.00 32.31 H new ATOM 0 HB ILE B 42 1.775 4.190 -8.976 1.00 75.24 H new ATOM 0 HG12 ILE B 42 0.201 3.806 -11.555 1.00 60.32 H new ATOM 0 HG13 ILE B 42 1.730 4.651 -11.415 1.00 60.32 H new ATOM 0 HG21 ILE B 42 0.508 2.065 -9.025 1.00 61.23 H new ATOM 0 HG22 ILE B 42 -0.182 3.220 -7.860 1.00 61.23 H new ATOM 0 HG23 ILE B 42 -0.973 2.964 -9.433 1.00 61.23 H new ATOM 0 HD11 ILE B 42 2.058 2.387 -12.295 1.00 13.14 H new ATOM 0 HD12 ILE B 42 2.839 2.555 -10.704 1.00 13.14 H new ATOM 0 HD13 ILE B 42 1.286 1.697 -10.848 1.00 13.14 H new ATOM 2151 N VAL B 43 0.589 6.035 -7.048 1.00 60.23 N ATOM 2152 CA VAL B 43 0.242 6.321 -5.648 1.00 42.20 C ATOM 2153 C VAL B 43 -0.720 7.511 -5.557 1.00 74.20 C ATOM 2154 O VAL B 43 -1.666 7.502 -4.760 1.00 73.51 O ATOM 2155 CB VAL B 43 1.511 6.521 -4.727 1.00 52.24 C ATOM 2156 CG1 VAL B 43 2.485 7.489 -5.324 1.00 12.02 C ATOM 2157 CG2 VAL B 43 1.113 7.017 -3.354 1.00 21.33 C ATOM 0 H VAL B 43 1.586 6.088 -7.258 1.00 60.23 H new ATOM 0 HA VAL B 43 -0.270 5.439 -5.262 1.00 42.20 H new ATOM 0 HB VAL B 43 1.989 5.545 -4.642 1.00 52.24 H new ATOM 0 HG11 VAL B 43 3.343 7.598 -4.660 1.00 12.02 H new ATOM 0 HG12 VAL B 43 2.821 7.117 -6.292 1.00 12.02 H new ATOM 0 HG13 VAL B 43 2.002 8.457 -5.455 1.00 12.02 H new ATOM 0 HG21 VAL B 43 2.005 7.146 -2.741 1.00 21.33 H new ATOM 0 HG22 VAL B 43 0.596 7.972 -3.448 1.00 21.33 H new ATOM 0 HG23 VAL B 43 0.451 6.291 -2.883 1.00 21.33 H new ATOM 2167 N GLY B 44 -0.506 8.496 -6.419 1.00 25.35 N ATOM 2168 CA GLY B 44 -1.370 9.659 -6.464 1.00 42.25 C ATOM 2169 C GLY B 44 -2.784 9.266 -6.831 1.00 40.55 C ATOM 2170 O GLY B 44 -3.753 9.724 -6.213 1.00 73.13 O ATOM 0 H GLY B 44 0.258 8.509 -7.094 1.00 25.35 H new ATOM 0 HA2 GLY B 44 -1.367 10.157 -5.495 1.00 42.25 H new ATOM 0 HA3 GLY B 44 -0.986 10.374 -7.192 1.00 42.25 H new ATOM 2174 N TYR B 45 -2.896 8.397 -7.832 1.00 42.21 N ATOM 2175 CA TYR B 45 -4.179 7.864 -8.260 1.00 42.42 C ATOM 2176 C TYR B 45 -4.873 7.132 -7.130 1.00 31.35 C ATOM 2177 O TYR B 45 -6.041 7.360 -6.860 1.00 13.21 O ATOM 2178 CB TYR B 45 -4.026 6.911 -9.479 1.00 4.04 C ATOM 2179 CG TYR B 45 -5.285 6.099 -9.753 1.00 11.20 C ATOM 2180 CD1 TYR B 45 -5.365 4.766 -9.382 1.00 13.45 C ATOM 2181 CD2 TYR B 45 -6.389 6.671 -10.334 1.00 33.03 C ATOM 2182 CE1 TYR B 45 -6.513 4.036 -9.589 1.00 40.51 C ATOM 2183 CE2 TYR B 45 -7.547 5.957 -10.537 1.00 63.14 C ATOM 2184 CZ TYR B 45 -7.600 4.635 -10.162 1.00 24.13 C ATOM 2185 OH TYR B 45 -8.757 3.919 -10.344 1.00 42.44 O ATOM 0 H TYR B 45 -2.101 8.046 -8.365 1.00 42.21 H new ATOM 0 HA TYR B 45 -4.789 8.716 -8.559 1.00 42.42 H new ATOM 0 HB2 TYR B 45 -3.777 7.497 -10.364 1.00 4.04 H new ATOM 0 HB3 TYR B 45 -3.192 6.232 -9.301 1.00 4.04 H new ATOM 0 HD1 TYR B 45 -4.511 4.292 -8.922 1.00 13.45 H new ATOM 0 HD2 TYR B 45 -6.348 7.706 -10.639 1.00 33.03 H new ATOM 0 HE1 TYR B 45 -6.555 2.996 -9.300 1.00 40.51 H new ATOM 0 HE2 TYR B 45 -8.407 6.430 -10.987 1.00 63.14 H new ATOM 0 HH TYR B 45 -9.350 4.406 -10.953 1.00 42.44 H new ATOM 2195 N LEU B 46 -4.149 6.272 -6.486 1.00 32.10 N ATOM 2196 CA LEU B 46 -4.690 5.418 -5.457 1.00 41.41 C ATOM 2197 C LEU B 46 -5.114 6.176 -4.197 1.00 50.44 C ATOM 2198 O LEU B 46 -6.132 5.855 -3.601 1.00 23.34 O ATOM 2199 CB LEU B 46 -3.706 4.295 -5.160 1.00 51.03 C ATOM 2200 CG LEU B 46 -3.424 3.362 -6.355 1.00 3.53 C ATOM 2201 CD1 LEU B 46 -2.298 2.422 -6.053 1.00 33.44 C ATOM 2202 CD2 LEU B 46 -4.665 2.570 -6.721 1.00 53.42 C ATOM 0 H LEU B 46 -3.153 6.136 -6.656 1.00 32.10 H new ATOM 0 HA LEU B 46 -5.615 4.983 -5.836 1.00 41.41 H new ATOM 0 HB2 LEU B 46 -2.765 4.732 -4.826 1.00 51.03 H new ATOM 0 HB3 LEU B 46 -4.092 3.699 -4.333 1.00 51.03 H new ATOM 0 HG LEU B 46 -3.138 3.988 -7.200 1.00 3.53 H new ATOM 0 HD11 LEU B 46 -2.122 1.777 -6.914 1.00 33.44 H new ATOM 0 HD12 LEU B 46 -1.395 2.993 -5.837 1.00 33.44 H new ATOM 0 HD13 LEU B 46 -2.556 1.811 -5.188 1.00 33.44 H new ATOM 0 HD21 LEU B 46 -4.444 1.918 -7.566 1.00 53.42 H new ATOM 0 HD22 LEU B 46 -4.976 1.966 -5.868 1.00 53.42 H new ATOM 0 HD23 LEU B 46 -5.468 3.256 -6.992 1.00 53.42 H new ATOM 2214 N LEU B 47 -4.355 7.189 -3.812 1.00 53.50 N ATOM 2215 CA LEU B 47 -4.686 7.961 -2.608 1.00 1.11 C ATOM 2216 C LEU B 47 -5.888 8.889 -2.824 1.00 31.33 C ATOM 2217 O LEU B 47 -6.697 9.107 -1.897 1.00 51.25 O ATOM 2218 CB LEU B 47 -3.481 8.779 -2.107 1.00 73.30 C ATOM 2219 CG LEU B 47 -2.233 7.993 -1.676 1.00 23.11 C ATOM 2220 CD1 LEU B 47 -1.148 8.940 -1.194 1.00 15.44 C ATOM 2221 CD2 LEU B 47 -2.571 6.980 -0.592 1.00 2.24 C ATOM 0 H LEU B 47 -3.516 7.499 -4.302 1.00 53.50 H new ATOM 0 HA LEU B 47 -4.955 7.229 -1.846 1.00 1.11 H new ATOM 0 HB2 LEU B 47 -3.189 9.470 -2.897 1.00 73.30 H new ATOM 0 HB3 LEU B 47 -3.810 9.382 -1.261 1.00 73.30 H new ATOM 0 HG LEU B 47 -1.862 7.449 -2.545 1.00 23.11 H new ATOM 0 HD11 LEU B 47 -0.272 8.366 -0.893 1.00 15.44 H new ATOM 0 HD12 LEU B 47 -0.876 9.622 -2.000 1.00 15.44 H new ATOM 0 HD13 LEU B 47 -1.517 9.513 -0.343 1.00 15.44 H new ATOM 0 HD21 LEU B 47 -1.669 6.438 -0.306 1.00 2.24 H new ATOM 0 HD22 LEU B 47 -2.974 7.499 0.278 1.00 2.24 H new ATOM 0 HD23 LEU B 47 -3.313 6.276 -0.970 1.00 2.24 H new ATOM 2233 N SER B 48 -6.009 9.437 -4.020 1.00 3.53 N ATOM 2234 CA SER B 48 -7.076 10.375 -4.309 1.00 33.01 C ATOM 2235 C SER B 48 -8.298 9.704 -4.961 1.00 14.43 C ATOM 2236 O SER B 48 -9.415 10.206 -4.842 1.00 73.20 O ATOM 2237 CB SER B 48 -6.550 11.494 -5.208 1.00 2.12 C ATOM 2238 OG SER B 48 -5.434 12.149 -4.610 1.00 22.14 O ATOM 0 H SER B 48 -5.384 9.249 -4.803 1.00 3.53 H new ATOM 0 HA SER B 48 -7.411 10.786 -3.357 1.00 33.01 H new ATOM 0 HB2 SER B 48 -6.259 11.082 -6.174 1.00 2.12 H new ATOM 0 HB3 SER B 48 -7.343 12.218 -5.395 1.00 2.12 H new ATOM 0 HG SER B 48 -5.028 12.762 -5.258 1.00 22.14 H new ATOM 2244 N GLY B 49 -8.095 8.568 -5.617 1.00 22.31 N ATOM 2245 CA GLY B 49 -9.166 7.935 -6.328 1.00 4.11 C ATOM 2246 C GLY B 49 -9.566 8.721 -7.562 1.00 10.14 C ATOM 2247 O GLY B 49 -10.748 8.855 -7.860 1.00 23.24 O ATOM 0 H GLY B 49 -7.201 8.080 -5.664 1.00 22.31 H new ATOM 0 HA2 GLY B 49 -8.864 6.929 -6.620 1.00 4.11 H new ATOM 0 HA3 GLY B 49 -10.028 7.830 -5.669 1.00 4.11 H new ATOM 2251 N ASP B 50 -8.582 9.246 -8.283 1.00 43.13 N ATOM 2252 CA ASP B 50 -8.873 10.045 -9.469 1.00 52.03 C ATOM 2253 C ASP B 50 -7.966 9.631 -10.633 1.00 33.25 C ATOM 2254 O ASP B 50 -6.741 9.630 -10.506 1.00 21.55 O ATOM 2255 CB ASP B 50 -8.712 11.536 -9.183 1.00 42.42 C ATOM 2256 CG ASP B 50 -9.188 12.390 -10.334 1.00 21.03 C ATOM 2257 OD1 ASP B 50 -10.321 12.904 -10.269 1.00 61.21 O ATOM 2258 OD2 ASP B 50 -8.449 12.553 -11.322 1.00 62.43 O ATOM 0 H ASP B 50 -7.590 9.136 -8.072 1.00 43.13 H new ATOM 0 HA ASP B 50 -9.911 9.861 -9.747 1.00 52.03 H new ATOM 0 HB2 ASP B 50 -9.272 11.795 -8.284 1.00 42.42 H new ATOM 0 HB3 ASP B 50 -7.664 11.754 -8.979 1.00 42.42 H new ATOM 2263 N PRO B 51 -8.569 9.280 -11.783 1.00 14.21 N ATOM 2264 CA PRO B 51 -7.858 8.767 -12.974 1.00 43.20 C ATOM 2265 C PRO B 51 -6.856 9.743 -13.618 1.00 72.20 C ATOM 2266 O PRO B 51 -5.932 9.312 -14.322 1.00 23.21 O ATOM 2267 CB PRO B 51 -8.982 8.413 -13.949 1.00 13.34 C ATOM 2268 CG PRO B 51 -10.129 9.254 -13.518 1.00 21.10 C ATOM 2269 CD PRO B 51 -10.023 9.357 -12.027 1.00 35.42 C ATOM 0 HA PRO B 51 -7.224 7.926 -12.693 1.00 43.20 H new ATOM 0 HB2 PRO B 51 -8.697 8.629 -14.979 1.00 13.34 H new ATOM 0 HB3 PRO B 51 -9.228 7.352 -13.902 1.00 13.34 H new ATOM 0 HG2 PRO B 51 -10.087 10.239 -13.982 1.00 21.10 H new ATOM 0 HG3 PRO B 51 -11.077 8.803 -13.812 1.00 21.10 H new ATOM 0 HD2 PRO B 51 -10.444 10.292 -11.658 1.00 35.42 H new ATOM 0 HD3 PRO B 51 -10.558 8.548 -11.529 1.00 35.42 H new ATOM 2277 N ALA B 52 -7.040 11.050 -13.396 1.00 71.03 N ATOM 2278 CA ALA B 52 -6.189 12.090 -14.031 1.00 54.15 C ATOM 2279 C ALA B 52 -4.716 11.994 -13.619 1.00 23.31 C ATOM 2280 O ALA B 52 -3.849 12.649 -14.214 1.00 44.23 O ATOM 2281 CB ALA B 52 -6.721 13.479 -13.757 1.00 73.52 C ATOM 0 H ALA B 52 -7.766 11.422 -12.784 1.00 71.03 H new ATOM 0 HA ALA B 52 -6.234 11.899 -15.103 1.00 54.15 H new ATOM 0 HB1 ALA B 52 -6.076 14.216 -14.235 1.00 73.52 H new ATOM 0 HB2 ALA B 52 -7.731 13.567 -14.157 1.00 73.52 H new ATOM 0 HB3 ALA B 52 -6.739 13.656 -12.682 1.00 73.52 H new ATOM 2287 N TYR B 53 -4.441 11.204 -12.602 1.00 43.42 N ATOM 2288 CA TYR B 53 -3.086 10.987 -12.147 1.00 13.30 C ATOM 2289 C TYR B 53 -2.225 10.214 -13.131 1.00 50.31 C ATOM 2290 O TYR B 53 -1.011 10.293 -13.070 1.00 21.34 O ATOM 2291 CB TYR B 53 -3.061 10.354 -10.779 1.00 71.25 C ATOM 2292 CG TYR B 53 -3.362 11.351 -9.718 1.00 44.10 C ATOM 2293 CD1 TYR B 53 -2.344 12.108 -9.199 1.00 22.51 C ATOM 2294 CD2 TYR B 53 -4.645 11.563 -9.252 1.00 21.22 C ATOM 2295 CE1 TYR B 53 -2.575 13.048 -8.250 1.00 30.24 C ATOM 2296 CE2 TYR B 53 -4.893 12.509 -8.287 1.00 30.42 C ATOM 2297 CZ TYR B 53 -3.850 13.253 -7.786 1.00 51.15 C ATOM 2298 OH TYR B 53 -4.083 14.220 -6.821 1.00 75.15 O ATOM 0 H TYR B 53 -5.148 10.697 -12.070 1.00 43.42 H new ATOM 0 HA TYR B 53 -2.636 11.977 -12.077 1.00 13.30 H new ATOM 0 HB2 TYR B 53 -3.789 9.544 -10.737 1.00 71.25 H new ATOM 0 HB3 TYR B 53 -2.081 9.912 -10.598 1.00 71.25 H new ATOM 0 HD1 TYR B 53 -1.336 11.952 -9.554 1.00 22.51 H new ATOM 0 HD2 TYR B 53 -5.462 10.979 -9.650 1.00 21.22 H new ATOM 0 HE1 TYR B 53 -1.757 13.635 -7.860 1.00 30.24 H new ATOM 0 HE2 TYR B 53 -5.898 12.667 -7.925 1.00 30.42 H new ATOM 0 HH TYR B 53 -5.038 14.240 -6.601 1.00 75.15 H new ATOM 2308 N ILE B 54 -2.839 9.474 -14.028 1.00 54.02 N ATOM 2309 CA ILE B 54 -2.074 8.757 -15.036 1.00 3.51 C ATOM 2310 C ILE B 54 -2.297 9.417 -16.389 1.00 20.20 C ATOM 2311 O ILE B 54 -3.439 9.545 -16.829 1.00 62.03 O ATOM 2312 CB ILE B 54 -2.444 7.235 -15.112 1.00 12.25 C ATOM 2313 CG1 ILE B 54 -2.180 6.545 -13.759 1.00 55.30 C ATOM 2314 CG2 ILE B 54 -1.668 6.528 -16.231 1.00 72.31 C ATOM 2315 CD1 ILE B 54 -0.738 6.622 -13.281 1.00 12.10 C ATOM 0 H ILE B 54 -3.850 9.351 -14.084 1.00 54.02 H new ATOM 0 HA ILE B 54 -1.023 8.808 -14.753 1.00 3.51 H new ATOM 0 HB ILE B 54 -3.507 7.163 -15.341 1.00 12.25 H new ATOM 0 HG12 ILE B 54 -2.824 6.996 -13.004 1.00 55.30 H new ATOM 0 HG13 ILE B 54 -2.467 5.497 -13.838 1.00 55.30 H new ATOM 0 HG21 ILE B 54 -1.947 5.475 -16.258 1.00 72.31 H new ATOM 0 HG22 ILE B 54 -1.907 6.991 -17.188 1.00 72.31 H new ATOM 0 HG23 ILE B 54 -0.598 6.615 -16.043 1.00 72.31 H new ATOM 0 HD11 ILE B 54 -0.645 6.111 -12.323 1.00 12.10 H new ATOM 0 HD12 ILE B 54 -0.086 6.144 -14.012 1.00 12.10 H new ATOM 0 HD13 ILE B 54 -0.448 7.666 -13.165 1.00 12.10 H new ATOM 2327 N PRO B 55 -1.217 9.883 -17.047 1.00 65.05 N ATOM 2328 CA PRO B 55 -1.317 10.540 -18.347 1.00 1.42 C ATOM 2329 C PRO B 55 -1.866 9.606 -19.432 1.00 10.54 C ATOM 2330 O PRO B 55 -1.472 8.427 -19.536 1.00 51.13 O ATOM 2331 CB PRO B 55 0.130 10.950 -18.674 1.00 70.33 C ATOM 2332 CG PRO B 55 0.981 10.096 -17.799 1.00 73.51 C ATOM 2333 CD PRO B 55 0.172 9.823 -16.564 1.00 21.24 C ATOM 0 HA PRO B 55 -2.008 11.382 -18.315 1.00 1.42 H new ATOM 0 HB2 PRO B 55 0.358 10.786 -19.727 1.00 70.33 H new ATOM 0 HB3 PRO B 55 0.295 12.009 -18.473 1.00 70.33 H new ATOM 0 HG2 PRO B 55 1.248 9.167 -18.303 1.00 73.51 H new ATOM 0 HG3 PRO B 55 1.913 10.602 -17.549 1.00 73.51 H new ATOM 0 HD2 PRO B 55 0.407 8.848 -16.137 1.00 21.24 H new ATOM 0 HD3 PRO B 55 0.360 10.565 -15.788 1.00 21.24 H new ATOM 2341 N ARG B 56 -2.743 10.134 -20.251 1.00 24.05 N ATOM 2342 CA ARG B 56 -3.366 9.358 -21.291 1.00 74.14 C ATOM 2343 C ARG B 56 -2.556 9.291 -22.574 1.00 4.44 C ATOM 2344 O ARG B 56 -2.684 10.113 -23.481 1.00 53.55 O ATOM 2345 CB ARG B 56 -4.844 9.719 -21.510 1.00 53.33 C ATOM 2346 CG ARG B 56 -5.141 11.203 -21.624 1.00 72.21 C ATOM 2347 CD ARG B 56 -6.631 11.429 -21.780 1.00 31.40 C ATOM 2348 NE ARG B 56 -6.996 12.841 -21.698 1.00 44.45 N ATOM 2349 CZ ARG B 56 -8.244 13.309 -21.809 1.00 72.10 C ATOM 2350 NH1 ARG B 56 -9.245 12.492 -22.157 1.00 14.24 N ATOM 2351 NH2 ARG B 56 -8.489 14.595 -21.587 1.00 12.14 N ATOM 0 H ARG B 56 -3.042 11.108 -20.215 1.00 24.05 H new ATOM 0 HA ARG B 56 -3.372 8.333 -20.919 1.00 74.14 H new ATOM 0 HB2 ARG B 56 -5.190 9.225 -22.418 1.00 53.33 H new ATOM 0 HB3 ARG B 56 -5.426 9.311 -20.684 1.00 53.33 H new ATOM 0 HG2 ARG B 56 -4.778 11.723 -20.737 1.00 72.21 H new ATOM 0 HG3 ARG B 56 -4.611 11.623 -22.479 1.00 72.21 H new ATOM 0 HD2 ARG B 56 -6.957 11.028 -22.740 1.00 31.40 H new ATOM 0 HD3 ARG B 56 -7.162 10.875 -21.006 1.00 31.40 H new ATOM 0 HE ARG B 56 -6.247 13.517 -21.546 1.00 44.45 H new ATOM 0 HH11 ARG B 56 -9.059 11.506 -22.339 1.00 14.24 H new ATOM 0 HH12 ARG B 56 -10.194 12.855 -22.240 1.00 14.24 H new ATOM 0 HH21 ARG B 56 -7.727 15.223 -21.333 1.00 12.14 H new ATOM 0 HH22 ARG B 56 -9.440 14.955 -21.671 1.00 12.14 H new ATOM 2365 N TYR B 57 -1.652 8.356 -22.578 1.00 1.14 N ATOM 2366 CA TYR B 57 -0.862 8.032 -23.734 1.00 61.01 C ATOM 2367 C TYR B 57 -1.080 6.574 -24.119 1.00 4.42 C ATOM 2368 O TYR B 57 -1.159 6.234 -25.303 1.00 14.12 O ATOM 2369 CB TYR B 57 0.614 8.311 -23.447 1.00 24.23 C ATOM 2370 CG TYR B 57 1.578 7.915 -24.553 1.00 40.43 C ATOM 2371 CD1 TYR B 57 1.503 8.481 -25.818 1.00 40.55 C ATOM 2372 CD2 TYR B 57 2.563 6.966 -24.319 1.00 11.31 C ATOM 2373 CE1 TYR B 57 2.385 8.109 -26.818 1.00 5.11 C ATOM 2374 CE2 TYR B 57 3.441 6.589 -25.307 1.00 15.21 C ATOM 2375 CZ TYR B 57 3.351 7.160 -26.554 1.00 32.23 C ATOM 2376 OH TYR B 57 4.229 6.774 -27.543 1.00 55.03 O ATOM 0 H TYR B 57 -1.437 7.784 -21.761 1.00 1.14 H new ATOM 0 HA TYR B 57 -1.171 8.655 -24.573 1.00 61.01 H new ATOM 0 HB2 TYR B 57 0.733 9.376 -23.248 1.00 24.23 H new ATOM 0 HB3 TYR B 57 0.896 7.783 -22.536 1.00 24.23 H new ATOM 0 HD1 TYR B 57 0.746 9.222 -26.025 1.00 40.55 H new ATOM 0 HD2 TYR B 57 2.641 6.515 -23.341 1.00 11.31 H new ATOM 0 HE1 TYR B 57 2.317 8.558 -27.798 1.00 5.11 H new ATOM 0 HE2 TYR B 57 4.199 5.847 -25.104 1.00 15.21 H new ATOM 0 HH TYR B 57 4.844 6.099 -27.189 1.00 55.03 H new ATOM 2386 N GLN B 58 -1.212 5.731 -23.113 1.00 11.52 N ATOM 2387 CA GLN B 58 -1.379 4.310 -23.301 1.00 40.42 C ATOM 2388 C GLN B 58 -2.693 3.883 -22.686 1.00 61.34 C ATOM 2389 O GLN B 58 -3.273 4.619 -21.875 1.00 64.12 O ATOM 2390 CB GLN B 58 -0.237 3.549 -22.603 1.00 40.41 C ATOM 2391 CG GLN B 58 1.155 3.886 -23.110 1.00 1.40 C ATOM 2392 CD GLN B 58 1.373 3.494 -24.552 1.00 3.14 C ATOM 2393 OE1 GLN B 58 1.112 4.266 -25.461 1.00 11.32 O ATOM 2394 NE2 GLN B 58 1.862 2.312 -24.765 1.00 70.52 N ATOM 0 H GLN B 58 -1.206 6.020 -22.135 1.00 11.52 H new ATOM 0 HA GLN B 58 -1.367 4.086 -24.368 1.00 40.42 H new ATOM 0 HB2 GLN B 58 -0.280 3.758 -21.534 1.00 40.41 H new ATOM 0 HB3 GLN B 58 -0.404 2.479 -22.725 1.00 40.41 H new ATOM 0 HG2 GLN B 58 1.325 4.957 -23.002 1.00 1.40 H new ATOM 0 HG3 GLN B 58 1.894 3.381 -22.487 1.00 1.40 H new ATOM 0 HE21 GLN B 58 2.067 1.696 -23.979 1.00 70.52 H new ATOM 0 HE22 GLN B 58 2.042 1.999 -25.719 1.00 70.52 H new ATOM 2403 N ASP B 59 -3.130 2.681 -23.025 1.00 64.24 N ATOM 2404 CA ASP B 59 -4.378 2.086 -22.492 1.00 52.02 C ATOM 2405 C ASP B 59 -4.272 1.848 -20.990 1.00 62.45 C ATOM 2406 O ASP B 59 -5.262 1.582 -20.315 1.00 32.33 O ATOM 2407 CB ASP B 59 -4.754 0.772 -23.226 1.00 54.41 C ATOM 2408 CG ASP B 59 -3.739 -0.359 -23.071 1.00 1.10 C ATOM 2409 OD1 ASP B 59 -2.733 -0.383 -23.819 1.00 72.44 O ATOM 2410 OD2 ASP B 59 -3.951 -1.250 -22.246 1.00 1.30 O ATOM 0 H ASP B 59 -2.637 2.075 -23.681 1.00 64.24 H new ATOM 0 HA ASP B 59 -5.177 2.804 -22.674 1.00 52.02 H new ATOM 0 HB2 ASP B 59 -5.720 0.428 -22.855 1.00 54.41 H new ATOM 0 HB3 ASP B 59 -4.878 0.987 -24.287 1.00 54.41 H new ATOM 2415 N ALA B 60 -3.055 1.954 -20.491 1.00 44.14 N ATOM 2416 CA ALA B 60 -2.730 1.802 -19.087 1.00 3.32 C ATOM 2417 C ALA B 60 -3.617 2.669 -18.169 1.00 52.24 C ATOM 2418 O ALA B 60 -3.986 2.229 -17.085 1.00 3.34 O ATOM 2419 CB ALA B 60 -1.271 2.137 -18.871 1.00 75.25 C ATOM 0 H ALA B 60 -2.240 2.155 -21.071 1.00 44.14 H new ATOM 0 HA ALA B 60 -2.923 0.764 -18.817 1.00 3.32 H new ATOM 0 HB1 ALA B 60 -1.024 2.023 -17.815 1.00 75.25 H new ATOM 0 HB2 ALA B 60 -0.652 1.463 -19.463 1.00 75.25 H new ATOM 0 HB3 ALA B 60 -1.085 3.166 -19.179 1.00 75.25 H new ATOM 2425 N ARG B 61 -3.962 3.895 -18.610 1.00 34.10 N ATOM 2426 CA ARG B 61 -4.820 4.774 -17.806 1.00 3.31 C ATOM 2427 C ARG B 61 -6.209 4.154 -17.649 1.00 24.14 C ATOM 2428 O ARG B 61 -6.823 4.228 -16.586 1.00 23.34 O ATOM 2429 CB ARG B 61 -4.951 6.164 -18.439 1.00 32.33 C ATOM 2430 CG ARG B 61 -5.746 7.146 -17.585 1.00 74.35 C ATOM 2431 CD ARG B 61 -5.951 8.468 -18.294 1.00 54.31 C ATOM 2432 NE ARG B 61 -6.651 9.448 -17.452 1.00 71.34 N ATOM 2433 CZ ARG B 61 -7.740 10.151 -17.824 1.00 33.23 C ATOM 2434 NH1 ARG B 61 -8.336 9.908 -18.992 1.00 52.13 N ATOM 2435 NH2 ARG B 61 -8.243 11.076 -17.014 1.00 35.44 N ATOM 0 H ARG B 61 -3.664 4.290 -19.502 1.00 34.10 H new ATOM 0 HA ARG B 61 -4.353 4.885 -16.827 1.00 3.31 H new ATOM 0 HB2 ARG B 61 -3.955 6.570 -18.615 1.00 32.33 H new ATOM 0 HB3 ARG B 61 -5.432 6.068 -19.412 1.00 32.33 H new ATOM 0 HG2 ARG B 61 -6.715 6.712 -17.338 1.00 74.35 H new ATOM 0 HG3 ARG B 61 -5.223 7.315 -16.644 1.00 74.35 H new ATOM 0 HD2 ARG B 61 -4.983 8.873 -18.591 1.00 54.31 H new ATOM 0 HD3 ARG B 61 -6.522 8.303 -19.208 1.00 54.31 H new ATOM 0 HE ARG B 61 -6.285 9.609 -16.514 1.00 71.34 H new ATOM 0 HH11 ARG B 61 -7.969 9.186 -19.612 1.00 52.13 H new ATOM 0 HH12 ARG B 61 -9.159 10.444 -19.266 1.00 52.13 H new ATOM 0 HH21 ARG B 61 -7.805 11.255 -16.110 1.00 35.44 H new ATOM 0 HH22 ARG B 61 -9.067 11.607 -17.296 1.00 35.44 H new ATOM 2449 N ASN B 62 -6.681 3.528 -18.709 1.00 33.13 N ATOM 2450 CA ASN B 62 -7.977 2.864 -18.707 1.00 31.03 C ATOM 2451 C ASN B 62 -7.921 1.671 -17.787 1.00 51.14 C ATOM 2452 O ASN B 62 -8.804 1.464 -16.972 1.00 5.22 O ATOM 2453 CB ASN B 62 -8.361 2.402 -20.126 1.00 72.34 C ATOM 2454 CG ASN B 62 -8.508 3.547 -21.108 1.00 62.24 C ATOM 2455 OD1 ASN B 62 -7.541 3.971 -21.738 1.00 61.01 O ATOM 2456 ND2 ASN B 62 -9.704 4.038 -21.268 1.00 62.41 N ATOM 0 H ASN B 62 -6.181 3.463 -19.596 1.00 33.13 H new ATOM 0 HA ASN B 62 -8.731 3.570 -18.360 1.00 31.03 H new ATOM 0 HB2 ASN B 62 -7.602 1.712 -20.494 1.00 72.34 H new ATOM 0 HB3 ASN B 62 -9.299 1.849 -20.080 1.00 72.34 H new ATOM 0 HD21 ASN B 62 -9.859 4.797 -21.932 1.00 62.41 H new ATOM 0 HD22 ASN B 62 -10.485 3.664 -20.730 1.00 62.41 H new ATOM 2463 N LEU B 63 -6.842 0.918 -17.909 1.00 3.01 N ATOM 2464 CA LEU B 63 -6.620 -0.284 -17.124 1.00 23.22 C ATOM 2465 C LEU B 63 -6.523 0.008 -15.632 1.00 72.05 C ATOM 2466 O LEU B 63 -7.120 -0.700 -14.820 1.00 63.24 O ATOM 2467 CB LEU B 63 -5.343 -0.987 -17.559 1.00 33.22 C ATOM 2468 CG LEU B 63 -5.270 -1.502 -18.986 1.00 13.32 C ATOM 2469 CD1 LEU B 63 -3.903 -2.105 -19.227 1.00 1.10 C ATOM 2470 CD2 LEU B 63 -6.341 -2.549 -19.220 1.00 42.21 C ATOM 0 H LEU B 63 -6.087 1.126 -18.563 1.00 3.01 H new ATOM 0 HA LEU B 63 -7.484 -0.925 -17.300 1.00 23.22 H new ATOM 0 HB2 LEU B 63 -4.513 -0.297 -17.409 1.00 33.22 H new ATOM 0 HB3 LEU B 63 -5.181 -1.831 -16.889 1.00 33.22 H new ATOM 0 HG LEU B 63 -5.434 -0.675 -19.676 1.00 13.32 H new ATOM 0 HD11 LEU B 63 -3.844 -2.477 -20.250 1.00 1.10 H new ATOM 0 HD12 LEU B 63 -3.138 -1.344 -19.073 1.00 1.10 H new ATOM 0 HD13 LEU B 63 -3.741 -2.929 -18.532 1.00 1.10 H new ATOM 0 HD21 LEU B 63 -6.278 -2.910 -20.246 1.00 42.21 H new ATOM 0 HD22 LEU B 63 -6.192 -3.382 -18.532 1.00 42.21 H new ATOM 0 HD23 LEU B 63 -7.324 -2.109 -19.050 1.00 42.21 H new ATOM 2482 N ILE B 64 -5.787 1.042 -15.264 1.00 34.31 N ATOM 2483 CA ILE B 64 -5.575 1.335 -13.858 1.00 31.20 C ATOM 2484 C ILE B 64 -6.886 1.765 -13.182 1.00 51.02 C ATOM 2485 O ILE B 64 -7.134 1.424 -12.034 1.00 52.40 O ATOM 2486 CB ILE B 64 -4.431 2.379 -13.620 1.00 13.11 C ATOM 2487 CG1 ILE B 64 -4.094 2.489 -12.121 1.00 14.33 C ATOM 2488 CG2 ILE B 64 -4.815 3.742 -14.179 1.00 52.24 C ATOM 2489 CD1 ILE B 64 -2.929 3.412 -11.815 1.00 4.33 C ATOM 0 H ILE B 64 -5.331 1.686 -15.911 1.00 34.31 H new ATOM 0 HA ILE B 64 -5.240 0.409 -13.390 1.00 31.20 H new ATOM 0 HB ILE B 64 -3.544 2.030 -14.148 1.00 13.11 H new ATOM 0 HG12 ILE B 64 -4.975 2.844 -11.586 1.00 14.33 H new ATOM 0 HG13 ILE B 64 -3.867 1.495 -11.737 1.00 14.33 H new ATOM 0 HG21 ILE B 64 -4.005 4.449 -14.002 1.00 52.24 H new ATOM 0 HG22 ILE B 64 -4.995 3.658 -15.251 1.00 52.24 H new ATOM 0 HG23 ILE B 64 -5.720 4.096 -13.685 1.00 52.24 H new ATOM 0 HD11 ILE B 64 -2.756 3.435 -10.739 1.00 4.33 H new ATOM 0 HD12 ILE B 64 -2.034 3.048 -12.319 1.00 4.33 H new ATOM 0 HD13 ILE B 64 -3.159 4.418 -12.167 1.00 4.33 H new ATOM 2501 N ARG B 65 -7.752 2.463 -13.915 1.00 61.20 N ATOM 2502 CA ARG B 65 -9.025 2.845 -13.345 1.00 24.45 C ATOM 2503 C ARG B 65 -10.101 1.807 -13.604 1.00 62.00 C ATOM 2504 O ARG B 65 -11.241 1.957 -13.179 1.00 2.41 O ATOM 2505 CB ARG B 65 -9.454 4.303 -13.682 1.00 74.54 C ATOM 2506 CG ARG B 65 -9.568 4.712 -15.159 1.00 21.21 C ATOM 2507 CD ARG B 65 -10.675 3.996 -15.920 1.00 14.34 C ATOM 2508 NE ARG B 65 -10.863 4.594 -17.248 1.00 2.42 N ATOM 2509 CZ ARG B 65 -11.701 4.153 -18.189 1.00 22.53 C ATOM 2510 NH1 ARG B 65 -12.340 3.004 -18.034 1.00 41.41 N ATOM 2511 NH2 ARG B 65 -11.885 4.864 -19.291 1.00 33.31 N ATOM 0 H ARG B 65 -7.595 2.764 -14.877 1.00 61.20 H new ATOM 0 HA ARG B 65 -8.881 2.861 -12.265 1.00 24.45 H new ATOM 0 HB2 ARG B 65 -10.422 4.480 -13.214 1.00 74.54 H new ATOM 0 HB3 ARG B 65 -8.741 4.976 -13.206 1.00 74.54 H new ATOM 0 HG2 ARG B 65 -9.740 5.787 -15.215 1.00 21.21 H new ATOM 0 HG3 ARG B 65 -8.617 4.516 -15.653 1.00 21.21 H new ATOM 0 HD2 ARG B 65 -10.427 2.940 -16.023 1.00 14.34 H new ATOM 0 HD3 ARG B 65 -11.606 4.052 -15.356 1.00 14.34 H new ATOM 0 HE ARG B 65 -10.305 5.418 -17.471 1.00 2.42 H new ATOM 0 HH11 ARG B 65 -12.194 2.449 -17.191 1.00 41.41 H new ATOM 0 HH12 ARG B 65 -12.979 2.674 -18.758 1.00 41.41 H new ATOM 0 HH21 ARG B 65 -11.387 5.745 -19.418 1.00 33.31 H new ATOM 0 HH22 ARG B 65 -12.524 4.530 -20.012 1.00 33.31 H new ATOM 2525 N ARG B 66 -9.708 0.737 -14.276 1.00 63.22 N ATOM 2526 CA ARG B 66 -10.589 -0.383 -14.570 1.00 24.14 C ATOM 2527 C ARG B 66 -10.697 -1.260 -13.328 1.00 34.34 C ATOM 2528 O ARG B 66 -11.557 -2.106 -13.225 1.00 14.35 O ATOM 2529 CB ARG B 66 -10.032 -1.188 -15.766 1.00 42.14 C ATOM 2530 CG ARG B 66 -10.880 -2.363 -16.239 1.00 21.54 C ATOM 2531 CD ARG B 66 -12.248 -1.907 -16.707 1.00 52.24 C ATOM 2532 NE ARG B 66 -13.046 -3.008 -17.251 1.00 12.54 N ATOM 2533 CZ ARG B 66 -14.383 -3.040 -17.279 1.00 15.04 C ATOM 2534 NH1 ARG B 66 -15.091 -2.071 -16.703 1.00 55.42 N ATOM 2535 NH2 ARG B 66 -15.008 -4.053 -17.874 1.00 4.42 N ATOM 0 H ARG B 66 -8.761 0.620 -14.636 1.00 63.22 H new ATOM 0 HA ARG B 66 -11.581 -0.021 -14.839 1.00 24.14 H new ATOM 0 HB2 ARG B 66 -9.894 -0.505 -16.604 1.00 42.14 H new ATOM 0 HB3 ARG B 66 -9.045 -1.564 -15.496 1.00 42.14 H new ATOM 0 HG2 ARG B 66 -10.369 -2.878 -17.052 1.00 21.54 H new ATOM 0 HG3 ARG B 66 -10.993 -3.082 -15.427 1.00 21.54 H new ATOM 0 HD2 ARG B 66 -12.782 -1.452 -15.873 1.00 52.24 H new ATOM 0 HD3 ARG B 66 -12.130 -1.136 -17.468 1.00 52.24 H new ATOM 0 HE ARG B 66 -12.546 -3.809 -17.637 1.00 12.54 H new ATOM 0 HH11 ARG B 66 -14.614 -1.299 -16.237 1.00 55.42 H new ATOM 0 HH12 ARG B 66 -16.110 -2.101 -16.727 1.00 55.42 H new ATOM 0 HH21 ARG B 66 -14.468 -4.802 -18.307 1.00 4.42 H new ATOM 0 HH22 ARG B 66 -16.027 -4.080 -17.897 1.00 4.42 H new ATOM 2549 N HIS B 67 -9.803 -1.041 -12.395 1.00 35.44 N ATOM 2550 CA HIS B 67 -9.816 -1.762 -11.147 1.00 71.31 C ATOM 2551 C HIS B 67 -10.008 -0.745 -10.054 1.00 53.34 C ATOM 2552 O HIS B 67 -9.693 0.441 -10.252 1.00 32.42 O ATOM 2553 CB HIS B 67 -8.497 -2.529 -10.917 1.00 5.21 C ATOM 2554 CG HIS B 67 -8.115 -3.499 -12.008 1.00 73.13 C ATOM 2555 ND1 HIS B 67 -8.502 -4.827 -12.029 1.00 1.05 N ATOM 2556 CD2 HIS B 67 -7.352 -3.323 -13.115 1.00 61.44 C ATOM 2557 CE1 HIS B 67 -7.987 -5.412 -13.094 1.00 54.15 C ATOM 2558 NE2 HIS B 67 -7.291 -4.524 -13.764 1.00 1.54 N ATOM 0 H HIS B 67 -9.048 -0.360 -12.479 1.00 35.44 H new ATOM 0 HA HIS B 67 -10.617 -2.501 -11.157 1.00 71.31 H new ATOM 0 HB2 HIS B 67 -7.691 -1.805 -10.799 1.00 5.21 H new ATOM 0 HB3 HIS B 67 -8.574 -3.076 -9.978 1.00 5.21 H new ATOM 0 HD1 HIS B 67 -9.092 -5.282 -11.332 1.00 1.05 H new ATOM 0 HD2 HIS B 67 -6.880 -2.403 -13.426 1.00 61.44 H new ATOM 0 HE1 HIS B 67 -8.117 -6.449 -13.368 1.00 54.15 H new ATOM 2567 N GLU B 68 -10.529 -1.160 -8.934 1.00 44.41 N ATOM 2568 CA GLU B 68 -10.735 -0.252 -7.844 1.00 13.32 C ATOM 2569 C GLU B 68 -9.416 0.009 -7.104 1.00 41.15 C ATOM 2570 O GLU B 68 -8.499 -0.826 -7.140 1.00 45.33 O ATOM 2571 CB GLU B 68 -11.853 -0.740 -6.916 1.00 3.44 C ATOM 2572 CG GLU B 68 -13.205 -0.922 -7.621 1.00 33.11 C ATOM 2573 CD GLU B 68 -13.685 0.336 -8.321 1.00 44.14 C ATOM 2574 OE1 GLU B 68 -14.290 1.202 -7.666 1.00 2.44 O ATOM 2575 OE2 GLU B 68 -13.450 0.482 -9.534 1.00 60.04 O ATOM 0 H GLU B 68 -10.818 -2.121 -8.753 1.00 44.41 H new ATOM 0 HA GLU B 68 -11.070 0.705 -8.245 1.00 13.32 H new ATOM 0 HB2 GLU B 68 -11.555 -1.689 -6.470 1.00 3.44 H new ATOM 0 HB3 GLU B 68 -11.972 -0.028 -6.099 1.00 3.44 H new ATOM 0 HG2 GLU B 68 -13.122 -1.728 -8.351 1.00 33.11 H new ATOM 0 HG3 GLU B 68 -13.951 -1.231 -6.889 1.00 33.11 H new ATOM 2582 N ARG B 69 -9.320 1.162 -6.441 1.00 51.10 N ATOM 2583 CA ARG B 69 -8.085 1.574 -5.780 1.00 41.15 C ATOM 2584 C ARG B 69 -7.729 0.600 -4.653 1.00 71.42 C ATOM 2585 O ARG B 69 -6.560 0.256 -4.453 1.00 0.00 O ATOM 2586 CB ARG B 69 -8.137 3.039 -5.203 1.00 42.41 C ATOM 2587 CG ARG B 69 -8.326 4.247 -6.174 1.00 30.14 C ATOM 2588 CD ARG B 69 -9.757 4.424 -6.738 1.00 61.21 C ATOM 2589 NE ARG B 69 -10.093 3.524 -7.845 1.00 31.12 N ATOM 2590 CZ ARG B 69 -11.328 3.077 -8.129 1.00 63.40 C ATOM 2591 NH1 ARG B 69 -12.355 3.340 -7.316 1.00 45.34 N ATOM 2592 NH2 ARG B 69 -11.518 2.347 -9.215 1.00 72.03 N ATOM 0 H ARG B 69 -10.087 1.828 -6.348 1.00 51.10 H new ATOM 0 HA ARG B 69 -7.316 1.560 -6.552 1.00 41.15 H new ATOM 0 HB2 ARG B 69 -8.950 3.074 -4.477 1.00 42.41 H new ATOM 0 HB3 ARG B 69 -7.211 3.205 -4.653 1.00 42.41 H new ATOM 0 HG2 ARG B 69 -8.044 5.160 -5.651 1.00 30.14 H new ATOM 0 HG3 ARG B 69 -7.635 4.132 -7.009 1.00 30.14 H new ATOM 0 HD2 ARG B 69 -10.473 4.269 -5.931 1.00 61.21 H new ATOM 0 HD3 ARG B 69 -9.875 5.454 -7.076 1.00 61.21 H new ATOM 0 HE ARG B 69 -9.330 3.213 -8.446 1.00 31.12 H new ATOM 0 HH11 ARG B 69 -12.207 3.886 -6.468 1.00 45.34 H new ATOM 0 HH12 ARG B 69 -13.287 2.994 -7.544 1.00 45.34 H new ATOM 0 HH21 ARG B 69 -10.732 2.129 -9.827 1.00 72.03 H new ATOM 0 HH22 ARG B 69 -12.451 2.002 -9.441 1.00 72.03 H new ATOM 2606 N ASP B 70 -8.756 0.147 -3.954 1.00 22.33 N ATOM 2607 CA ASP B 70 -8.626 -0.773 -2.806 1.00 72.25 C ATOM 2608 C ASP B 70 -7.971 -2.091 -3.244 1.00 63.13 C ATOM 2609 O ASP B 70 -7.055 -2.598 -2.595 1.00 42.03 O ATOM 2610 CB ASP B 70 -10.029 -1.045 -2.251 1.00 33.44 C ATOM 2611 CG ASP B 70 -10.050 -1.839 -0.962 1.00 62.30 C ATOM 2612 OD1 ASP B 70 -9.849 -1.239 0.116 1.00 32.40 O ATOM 2613 OD2 ASP B 70 -10.329 -3.050 -0.995 1.00 31.05 O ATOM 0 H ASP B 70 -9.722 0.403 -4.160 1.00 22.33 H new ATOM 0 HA ASP B 70 -7.995 -0.322 -2.040 1.00 72.25 H new ATOM 0 HB2 ASP B 70 -10.531 -0.092 -2.084 1.00 33.44 H new ATOM 0 HB3 ASP B 70 -10.606 -1.582 -3.004 1.00 33.44 H new ATOM 2618 N GLU B 71 -8.433 -2.587 -4.379 1.00 64.55 N ATOM 2619 CA GLU B 71 -7.978 -3.840 -5.004 1.00 53.41 C ATOM 2620 C GLU B 71 -6.471 -3.802 -5.235 1.00 41.33 C ATOM 2621 O GLU B 71 -5.725 -4.673 -4.784 1.00 33.30 O ATOM 2622 CB GLU B 71 -8.640 -3.924 -6.372 1.00 54.34 C ATOM 2623 CG GLU B 71 -10.145 -3.819 -6.349 1.00 1.23 C ATOM 2624 CD GLU B 71 -10.856 -5.105 -6.059 1.00 72.31 C ATOM 2625 OE1 GLU B 71 -10.739 -5.621 -4.933 1.00 43.22 O ATOM 2626 OE2 GLU B 71 -11.570 -5.604 -6.969 1.00 54.14 O ATOM 0 H GLU B 71 -9.162 -2.120 -4.918 1.00 64.55 H new ATOM 0 HA GLU B 71 -8.229 -4.684 -4.361 1.00 53.41 H new ATOM 0 HB2 GLU B 71 -8.243 -3.129 -7.003 1.00 54.34 H new ATOM 0 HB3 GLU B 71 -8.362 -4.869 -6.838 1.00 54.34 H new ATOM 0 HG2 GLU B 71 -10.433 -3.083 -5.599 1.00 1.23 H new ATOM 0 HG3 GLU B 71 -10.484 -3.441 -7.313 1.00 1.23 H new ATOM 2633 N ILE B 72 -6.048 -2.767 -5.939 1.00 12.23 N ATOM 2634 CA ILE B 72 -4.670 -2.600 -6.352 1.00 12.51 C ATOM 2635 C ILE B 72 -3.751 -2.392 -5.155 1.00 52.43 C ATOM 2636 O ILE B 72 -2.659 -2.963 -5.089 1.00 40.04 O ATOM 2637 CB ILE B 72 -4.537 -1.383 -7.318 1.00 13.34 C ATOM 2638 CG1 ILE B 72 -5.421 -1.579 -8.562 1.00 11.20 C ATOM 2639 CG2 ILE B 72 -3.081 -1.163 -7.724 1.00 72.33 C ATOM 2640 CD1 ILE B 72 -5.394 -0.408 -9.532 1.00 43.31 C ATOM 0 H ILE B 72 -6.661 -2.011 -6.243 1.00 12.23 H new ATOM 0 HA ILE B 72 -4.370 -3.513 -6.866 1.00 12.51 H new ATOM 0 HB ILE B 72 -4.879 -0.494 -6.788 1.00 13.34 H new ATOM 0 HG12 ILE B 72 -5.098 -2.479 -9.086 1.00 11.20 H new ATOM 0 HG13 ILE B 72 -6.449 -1.748 -8.241 1.00 11.20 H new ATOM 0 HG21 ILE B 72 -3.016 -0.309 -8.398 1.00 72.33 H new ATOM 0 HG22 ILE B 72 -2.480 -0.971 -6.835 1.00 72.33 H new ATOM 0 HG23 ILE B 72 -2.706 -2.053 -8.230 1.00 72.33 H new ATOM 0 HD11 ILE B 72 -6.042 -0.624 -10.381 1.00 43.31 H new ATOM 0 HD12 ILE B 72 -5.746 0.491 -9.027 1.00 43.31 H new ATOM 0 HD13 ILE B 72 -4.375 -0.251 -9.884 1.00 43.31 H new ATOM 2652 N MET B 73 -4.214 -1.606 -4.207 1.00 32.21 N ATOM 2653 CA MET B 73 -3.408 -1.215 -3.069 1.00 41.34 C ATOM 2654 C MET B 73 -3.028 -2.450 -2.216 1.00 73.21 C ATOM 2655 O MET B 73 -1.868 -2.588 -1.785 1.00 30.21 O ATOM 2656 CB MET B 73 -4.163 -0.154 -2.258 1.00 0.11 C ATOM 2657 CG MET B 73 -3.312 0.686 -1.308 1.00 14.11 C ATOM 2658 SD MET B 73 -2.488 -0.240 -0.010 1.00 12.13 S ATOM 2659 CE MET B 73 -1.620 1.068 0.818 1.00 43.41 C ATOM 0 H MET B 73 -5.158 -1.220 -4.203 1.00 32.21 H new ATOM 0 HA MET B 73 -2.471 -0.776 -3.412 1.00 41.34 H new ATOM 0 HB2 MET B 73 -4.667 0.517 -2.953 1.00 0.11 H new ATOM 0 HB3 MET B 73 -4.939 -0.652 -1.677 1.00 0.11 H new ATOM 0 HG2 MET B 73 -2.558 1.215 -1.891 1.00 14.11 H new ATOM 0 HG3 MET B 73 -3.947 1.442 -0.847 1.00 14.11 H new ATOM 0 HE1 MET B 73 -1.402 0.768 1.843 1.00 43.41 H new ATOM 0 HE2 MET B 73 -0.687 1.274 0.294 1.00 43.41 H new ATOM 0 HE3 MET B 73 -2.238 1.966 0.826 1.00 43.41 H new ATOM 2669 N GLU B 74 -3.987 -3.360 -2.002 1.00 52.05 N ATOM 2670 CA GLU B 74 -3.709 -4.599 -1.262 1.00 71.00 C ATOM 2671 C GLU B 74 -2.597 -5.402 -1.921 1.00 41.51 C ATOM 2672 O GLU B 74 -1.682 -5.902 -1.246 1.00 33.11 O ATOM 2673 CB GLU B 74 -4.938 -5.480 -1.140 1.00 4.34 C ATOM 2674 CG GLU B 74 -6.030 -4.960 -0.234 1.00 32.13 C ATOM 2675 CD GLU B 74 -7.161 -5.943 -0.137 1.00 70.44 C ATOM 2676 OE1 GLU B 74 -6.893 -7.162 -0.012 1.00 22.34 O ATOM 2677 OE2 GLU B 74 -8.333 -5.539 -0.192 1.00 0.25 O ATOM 0 H GLU B 74 -4.950 -3.265 -2.325 1.00 52.05 H new ATOM 0 HA GLU B 74 -3.396 -4.290 -0.265 1.00 71.00 H new ATOM 0 HB2 GLU B 74 -5.357 -5.628 -2.135 1.00 4.34 H new ATOM 0 HB3 GLU B 74 -4.626 -6.459 -0.777 1.00 4.34 H new ATOM 0 HG2 GLU B 74 -5.623 -4.769 0.759 1.00 32.13 H new ATOM 0 HG3 GLU B 74 -6.402 -4.009 -0.615 1.00 32.13 H new ATOM 2684 N GLU B 75 -2.674 -5.508 -3.237 1.00 22.23 N ATOM 2685 CA GLU B 75 -1.688 -6.229 -4.017 1.00 23.21 C ATOM 2686 C GLU B 75 -0.303 -5.630 -3.818 1.00 4.11 C ATOM 2687 O GLU B 75 0.678 -6.358 -3.605 1.00 72.42 O ATOM 2688 CB GLU B 75 -2.069 -6.217 -5.496 1.00 73.30 C ATOM 2689 CG GLU B 75 -3.362 -6.945 -5.806 1.00 2.14 C ATOM 2690 CD GLU B 75 -3.281 -8.416 -5.478 1.00 12.40 C ATOM 2691 OE1 GLU B 75 -3.642 -8.811 -4.364 1.00 53.14 O ATOM 2692 OE2 GLU B 75 -2.856 -9.202 -6.341 1.00 10.35 O ATOM 0 H GLU B 75 -3.423 -5.096 -3.793 1.00 22.23 H new ATOM 0 HA GLU B 75 -1.665 -7.263 -3.673 1.00 23.21 H new ATOM 0 HB2 GLU B 75 -2.157 -5.183 -5.829 1.00 73.30 H new ATOM 0 HB3 GLU B 75 -1.262 -6.670 -6.072 1.00 73.30 H new ATOM 0 HG2 GLU B 75 -4.176 -6.493 -5.240 1.00 2.14 H new ATOM 0 HG3 GLU B 75 -3.602 -6.823 -6.862 1.00 2.14 H new ATOM 2699 N LEU B 76 -0.236 -4.307 -3.865 1.00 63.41 N ATOM 2700 CA LEU B 76 1.020 -3.578 -3.675 1.00 75.21 C ATOM 2701 C LEU B 76 1.628 -3.907 -2.315 1.00 61.54 C ATOM 2702 O LEU B 76 2.813 -4.266 -2.219 1.00 24.24 O ATOM 2703 CB LEU B 76 0.782 -2.068 -3.745 1.00 22.53 C ATOM 2704 CG LEU B 76 0.117 -1.531 -5.008 1.00 61.41 C ATOM 2705 CD1 LEU B 76 -0.044 -0.042 -4.911 1.00 61.31 C ATOM 2706 CD2 LEU B 76 0.907 -1.892 -6.238 1.00 23.32 C ATOM 0 H LEU B 76 -1.043 -3.707 -4.035 1.00 63.41 H new ATOM 0 HA LEU B 76 1.702 -3.881 -4.469 1.00 75.21 H new ATOM 0 HB2 LEU B 76 0.168 -1.782 -2.891 1.00 22.53 H new ATOM 0 HB3 LEU B 76 1.743 -1.568 -3.629 1.00 22.53 H new ATOM 0 HG LEU B 76 -0.867 -1.992 -5.096 1.00 61.41 H new ATOM 0 HD11 LEU B 76 -0.520 0.332 -5.817 1.00 61.31 H new ATOM 0 HD12 LEU B 76 -0.664 0.201 -4.049 1.00 61.31 H new ATOM 0 HD13 LEU B 76 0.935 0.423 -4.796 1.00 61.31 H new ATOM 0 HD21 LEU B 76 0.407 -1.495 -7.121 1.00 23.32 H new ATOM 0 HD22 LEU B 76 1.908 -1.466 -6.166 1.00 23.32 H new ATOM 0 HD23 LEU B 76 0.979 -2.977 -6.319 1.00 23.32 H new ATOM 2718 N THR B 77 0.804 -3.814 -1.276 1.00 11.10 N ATOM 2719 CA THR B 77 1.245 -4.049 0.079 1.00 11.34 C ATOM 2720 C THR B 77 1.833 -5.478 0.261 1.00 44.34 C ATOM 2721 O THR B 77 2.866 -5.659 0.933 1.00 31.31 O ATOM 2722 CB THR B 77 0.077 -3.811 1.059 1.00 70.11 C ATOM 2723 OG1 THR B 77 -0.467 -2.502 0.825 1.00 0.41 O ATOM 2724 CG2 THR B 77 0.558 -3.881 2.502 1.00 13.43 C ATOM 0 H THR B 77 -0.184 -3.574 -1.358 1.00 11.10 H new ATOM 0 HA THR B 77 2.047 -3.344 0.297 1.00 11.34 H new ATOM 0 HB THR B 77 -0.676 -4.582 0.897 1.00 70.11 H new ATOM 0 HG1 THR B 77 -1.069 -2.531 0.052 1.00 0.41 H new ATOM 0 HG21 THR B 77 -0.283 -3.710 3.174 1.00 13.43 H new ATOM 0 HG22 THR B 77 0.984 -4.865 2.696 1.00 13.43 H new ATOM 0 HG23 THR B 77 1.318 -3.118 2.670 1.00 13.43 H new ATOM 2732 N LYS B 78 1.210 -6.474 -0.370 1.00 30.44 N ATOM 2733 CA LYS B 78 1.664 -7.858 -0.234 1.00 44.42 C ATOM 2734 C LYS B 78 3.016 -8.097 -0.850 1.00 52.32 C ATOM 2735 O LYS B 78 3.830 -8.791 -0.280 1.00 43.10 O ATOM 2736 CB LYS B 78 0.648 -8.851 -0.764 1.00 21.43 C ATOM 2737 CG LYS B 78 -0.630 -8.841 0.021 1.00 72.50 C ATOM 2738 CD LYS B 78 -1.623 -9.896 -0.443 1.00 53.23 C ATOM 2739 CE LYS B 78 -1.999 -9.721 -1.897 1.00 45.43 C ATOM 2740 NZ LYS B 78 -3.023 -10.692 -2.319 1.00 53.21 N ATOM 0 H LYS B 78 0.398 -6.350 -0.974 1.00 30.44 H new ATOM 0 HA LYS B 78 1.767 -8.025 0.838 1.00 44.42 H new ATOM 0 HB2 LYS B 78 0.431 -8.622 -1.807 1.00 21.43 H new ATOM 0 HB3 LYS B 78 1.077 -9.853 -0.740 1.00 21.43 H new ATOM 0 HG2 LYS B 78 -0.403 -9.002 1.075 1.00 72.50 H new ATOM 0 HG3 LYS B 78 -1.091 -7.856 -0.059 1.00 72.50 H new ATOM 0 HD2 LYS B 78 -1.194 -10.887 -0.297 1.00 53.23 H new ATOM 0 HD3 LYS B 78 -2.521 -9.844 0.172 1.00 53.23 H new ATOM 0 HE2 LYS B 78 -2.370 -8.709 -2.057 1.00 45.43 H new ATOM 0 HE3 LYS B 78 -1.111 -9.836 -2.518 1.00 45.43 H new ATOM 0 HZ1 LYS B 78 -3.400 -10.417 -3.248 1.00 53.21 H new ATOM 0 HZ2 LYS B 78 -2.598 -11.639 -2.385 1.00 53.21 H new ATOM 0 HZ3 LYS B 78 -3.795 -10.707 -1.622 1.00 53.21 H new ATOM 2754 N TYR B 79 3.256 -7.516 -1.996 1.00 74.11 N ATOM 2755 CA TYR B 79 4.553 -7.680 -2.685 1.00 43.25 C ATOM 2756 C TYR B 79 5.687 -7.029 -1.934 1.00 43.14 C ATOM 2757 O TYR B 79 6.824 -7.512 -1.960 1.00 60.33 O ATOM 2758 CB TYR B 79 4.508 -7.176 -4.115 1.00 62.10 C ATOM 2759 CG TYR B 79 3.798 -8.092 -5.082 1.00 35.22 C ATOM 2760 CD1 TYR B 79 2.604 -8.718 -4.751 1.00 2.12 C ATOM 2761 CD2 TYR B 79 4.338 -8.334 -6.331 1.00 2.50 C ATOM 2762 CE1 TYR B 79 1.968 -9.555 -5.645 1.00 13.21 C ATOM 2763 CE2 TYR B 79 3.717 -9.161 -7.230 1.00 2.33 C ATOM 2764 CZ TYR B 79 2.529 -9.772 -6.886 1.00 14.34 C ATOM 2765 OH TYR B 79 1.902 -10.602 -7.784 1.00 30.44 O ATOM 0 H TYR B 79 2.587 -6.923 -2.488 1.00 74.11 H new ATOM 0 HA TYR B 79 4.743 -8.753 -2.711 1.00 43.25 H new ATOM 0 HB2 TYR B 79 4.016 -6.203 -4.128 1.00 62.10 H new ATOM 0 HB3 TYR B 79 5.529 -7.021 -4.464 1.00 62.10 H new ATOM 0 HD1 TYR B 79 2.166 -8.547 -3.779 1.00 2.12 H new ATOM 0 HD2 TYR B 79 5.270 -7.861 -6.604 1.00 2.50 H new ATOM 0 HE1 TYR B 79 1.039 -10.036 -5.375 1.00 13.21 H new ATOM 0 HE2 TYR B 79 4.155 -9.333 -8.202 1.00 2.33 H new ATOM 0 HH TYR B 79 2.427 -10.646 -8.610 1.00 30.44 H new ATOM 2775 N TYR B 80 5.384 -5.944 -1.266 1.00 72.54 N ATOM 2776 CA TYR B 80 6.362 -5.250 -0.467 1.00 41.12 C ATOM 2777 C TYR B 80 6.793 -6.139 0.695 1.00 3.45 C ATOM 2778 O TYR B 80 7.987 -6.320 0.967 1.00 73.04 O ATOM 2779 CB TYR B 80 5.762 -3.945 0.050 1.00 2.10 C ATOM 2780 CG TYR B 80 6.721 -3.097 0.845 1.00 44.44 C ATOM 2781 CD1 TYR B 80 7.632 -2.290 0.203 1.00 2.11 C ATOM 2782 CD2 TYR B 80 6.715 -3.105 2.233 1.00 2.31 C ATOM 2783 CE1 TYR B 80 8.515 -1.513 0.903 1.00 53.44 C ATOM 2784 CE2 TYR B 80 7.601 -2.327 2.946 1.00 15.52 C ATOM 2785 CZ TYR B 80 8.497 -1.531 2.270 1.00 50.13 C ATOM 2786 OH TYR B 80 9.383 -0.769 2.961 1.00 61.31 O ATOM 0 H TYR B 80 4.457 -5.519 -1.261 1.00 72.54 H new ATOM 0 HA TYR B 80 7.238 -5.017 -1.073 1.00 41.12 H new ATOM 0 HB2 TYR B 80 5.398 -3.365 -0.798 1.00 2.10 H new ATOM 0 HB3 TYR B 80 4.898 -4.177 0.672 1.00 2.10 H new ATOM 0 HD1 TYR B 80 7.651 -2.269 -0.877 1.00 2.11 H new ATOM 0 HD2 TYR B 80 6.008 -3.728 2.760 1.00 2.31 H new ATOM 0 HE1 TYR B 80 9.223 -0.889 0.378 1.00 53.44 H new ATOM 0 HE2 TYR B 80 7.592 -2.342 4.026 1.00 15.52 H new ATOM 0 HH TYR B 80 9.065 0.157 2.990 1.00 61.31 H new ATOM 2796 N LEU B 81 5.820 -6.697 1.369 1.00 31.51 N ATOM 2797 CA LEU B 81 6.073 -7.568 2.484 1.00 31.55 C ATOM 2798 C LEU B 81 6.615 -8.928 2.040 1.00 22.53 C ATOM 2799 O LEU B 81 7.396 -9.548 2.764 1.00 74.13 O ATOM 2800 CB LEU B 81 4.828 -7.705 3.350 1.00 32.02 C ATOM 2801 CG LEU B 81 4.337 -6.401 3.997 1.00 1.40 C ATOM 2802 CD1 LEU B 81 3.057 -6.634 4.768 1.00 14.35 C ATOM 2803 CD2 LEU B 81 5.405 -5.821 4.916 1.00 22.30 C ATOM 0 H LEU B 81 4.831 -6.559 1.159 1.00 31.51 H new ATOM 0 HA LEU B 81 6.855 -7.112 3.092 1.00 31.55 H new ATOM 0 HB2 LEU B 81 4.023 -8.115 2.740 1.00 32.02 H new ATOM 0 HB3 LEU B 81 5.031 -8.430 4.139 1.00 32.02 H new ATOM 0 HG LEU B 81 4.136 -5.685 3.200 1.00 1.40 H new ATOM 0 HD11 LEU B 81 2.728 -5.697 5.218 1.00 14.35 H new ATOM 0 HD12 LEU B 81 2.286 -7.002 4.091 1.00 14.35 H new ATOM 0 HD13 LEU B 81 3.233 -7.371 5.552 1.00 14.35 H new ATOM 0 HD21 LEU B 81 5.037 -4.898 5.364 1.00 22.30 H new ATOM 0 HD22 LEU B 81 5.637 -6.539 5.703 1.00 22.30 H new ATOM 0 HD23 LEU B 81 6.306 -5.611 4.340 1.00 22.30 H new ATOM 2815 N ALA B 82 6.235 -9.364 0.838 1.00 4.33 N ATOM 2816 CA ALA B 82 6.682 -10.647 0.284 1.00 51.33 C ATOM 2817 C ALA B 82 8.199 -10.739 0.235 1.00 64.44 C ATOM 2818 O ALA B 82 8.773 -11.776 0.542 1.00 53.23 O ATOM 2819 CB ALA B 82 6.100 -10.873 -1.103 1.00 35.44 C ATOM 0 H ALA B 82 5.612 -8.842 0.222 1.00 4.33 H new ATOM 0 HA ALA B 82 6.317 -11.429 0.950 1.00 51.33 H new ATOM 0 HB1 ALA B 82 6.447 -11.831 -1.491 1.00 35.44 H new ATOM 0 HB2 ALA B 82 5.012 -10.878 -1.045 1.00 35.44 H new ATOM 0 HB3 ALA B 82 6.424 -10.073 -1.768 1.00 35.44 H new ATOM 2825 N ASN B 83 8.854 -9.626 -0.094 1.00 71.51 N ATOM 2826 CA ASN B 83 10.328 -9.597 -0.190 1.00 53.33 C ATOM 2827 C ASN B 83 11.024 -9.718 1.156 1.00 42.44 C ATOM 2828 O ASN B 83 12.243 -9.692 1.235 1.00 32.33 O ATOM 2829 CB ASN B 83 10.854 -8.394 -0.984 1.00 74.24 C ATOM 2830 CG ASN B 83 10.504 -8.473 -2.453 1.00 41.14 C ATOM 2831 OD1 ASN B 83 10.350 -9.562 -3.006 1.00 31.22 O ATOM 2832 ND2 ASN B 83 10.401 -7.340 -3.100 1.00 72.55 N ATOM 0 H ASN B 83 8.400 -8.736 -0.298 1.00 71.51 H new ATOM 0 HA ASN B 83 10.586 -10.492 -0.756 1.00 53.33 H new ATOM 0 HB2 ASN B 83 10.441 -7.477 -0.564 1.00 74.24 H new ATOM 0 HB3 ASN B 83 11.937 -8.336 -0.874 1.00 74.24 H new ATOM 0 HD21 ASN B 83 10.186 -7.340 -4.097 1.00 72.55 H new ATOM 0 HD22 ASN B 83 10.535 -6.457 -2.607 1.00 72.55 H new ATOM 2839 N HIS B 84 10.250 -9.870 2.206 1.00 14.41 N ATOM 2840 CA HIS B 84 10.792 -10.114 3.537 1.00 41.33 C ATOM 2841 C HIS B 84 10.880 -11.614 3.788 1.00 64.53 C ATOM 2842 O HIS B 84 11.274 -12.053 4.866 1.00 14.41 O ATOM 2843 CB HIS B 84 9.920 -9.467 4.624 1.00 60.55 C ATOM 2844 CG HIS B 84 9.980 -7.970 4.705 1.00 70.45 C ATOM 2845 ND1 HIS B 84 9.328 -7.120 3.830 1.00 34.24 N ATOM 2846 CD2 HIS B 84 10.601 -7.173 5.595 1.00 10.55 C ATOM 2847 CE1 HIS B 84 9.552 -5.873 4.192 1.00 70.14 C ATOM 2848 NE2 HIS B 84 10.319 -5.884 5.258 1.00 0.23 N ATOM 0 H HIS B 84 9.231 -9.830 2.170 1.00 14.41 H new ATOM 0 HA HIS B 84 11.785 -9.668 3.583 1.00 41.33 H new ATOM 0 HB2 HIS B 84 8.884 -9.762 4.455 1.00 60.55 H new ATOM 0 HB3 HIS B 84 10.214 -9.876 5.590 1.00 60.55 H new ATOM 0 HD2 HIS B 84 11.212 -7.497 6.425 1.00 10.55 H new ATOM 0 HE1 HIS B 84 9.170 -4.992 3.697 1.00 70.14 H new ATOM 0 HE2 HIS B 84 10.651 -5.058 5.755 1.00 0.23 H new ATOM 2857 N GLY B 85 10.496 -12.398 2.780 1.00 34.23 N ATOM 2858 CA GLY B 85 10.478 -13.844 2.919 1.00 23.02 C ATOM 2859 C GLY B 85 9.163 -14.290 3.501 1.00 21.32 C ATOM 2860 O GLY B 85 9.016 -15.419 3.968 1.00 72.21 O ATOM 0 H GLY B 85 10.197 -12.054 1.868 1.00 34.23 H new ATOM 0 HA2 GLY B 85 10.632 -14.313 1.947 1.00 23.02 H new ATOM 0 HA3 GLY B 85 11.297 -14.166 3.562 1.00 23.02 H new ATOM 2864 N ILE B 86 8.210 -13.387 3.465 1.00 55.33 N ATOM 2865 CA ILE B 86 6.907 -13.602 4.027 1.00 32.33 C ATOM 2866 C ILE B 86 5.920 -13.960 2.927 1.00 2.20 C ATOM 2867 O ILE B 86 5.910 -13.338 1.862 1.00 74.14 O ATOM 2868 CB ILE B 86 6.412 -12.324 4.768 1.00 21.42 C ATOM 2869 CG1 ILE B 86 7.374 -11.946 5.912 1.00 13.23 C ATOM 2870 CG2 ILE B 86 4.996 -12.511 5.297 1.00 33.34 C ATOM 2871 CD1 ILE B 86 6.962 -10.702 6.672 1.00 4.21 C ATOM 0 H ILE B 86 8.326 -12.469 3.036 1.00 55.33 H new ATOM 0 HA ILE B 86 6.973 -14.423 4.741 1.00 32.33 H new ATOM 0 HB ILE B 86 6.398 -11.506 4.048 1.00 21.42 H new ATOM 0 HG12 ILE B 86 7.440 -12.781 6.609 1.00 13.23 H new ATOM 0 HG13 ILE B 86 8.372 -11.795 5.500 1.00 13.23 H new ATOM 0 HG21 ILE B 86 4.676 -11.604 5.810 1.00 33.34 H new ATOM 0 HG22 ILE B 86 4.321 -12.715 4.466 1.00 33.34 H new ATOM 0 HG23 ILE B 86 4.976 -13.348 5.995 1.00 33.34 H new ATOM 0 HD11 ILE B 86 7.687 -10.500 7.460 1.00 4.21 H new ATOM 0 HD12 ILE B 86 6.924 -9.854 5.988 1.00 4.21 H new ATOM 0 HD13 ILE B 86 5.978 -10.855 7.115 1.00 4.21 H new ATOM 2883 N ASP B 87 5.124 -14.958 3.169 1.00 3.23 N ATOM 2884 CA ASP B 87 4.090 -15.357 2.230 1.00 75.32 C ATOM 2885 C ASP B 87 2.746 -14.863 2.694 1.00 51.23 C ATOM 2886 O ASP B 87 2.292 -15.212 3.801 1.00 10.33 O ATOM 2887 CB ASP B 87 4.048 -16.872 2.058 1.00 61.30 C ATOM 2888 CG ASP B 87 2.921 -17.325 1.156 1.00 23.25 C ATOM 2889 OD1 ASP B 87 1.854 -17.718 1.672 1.00 33.11 O ATOM 2890 OD2 ASP B 87 3.085 -17.290 -0.080 1.00 41.10 O ATOM 0 H ASP B 87 5.163 -15.524 4.017 1.00 3.23 H new ATOM 0 HA ASP B 87 4.329 -14.910 1.265 1.00 75.32 H new ATOM 0 HB2 ASP B 87 4.998 -17.213 1.646 1.00 61.30 H new ATOM 0 HB3 ASP B 87 3.937 -17.342 3.035 1.00 61.30 H new ATOM 2895 N ILE B 88 2.116 -14.051 1.886 1.00 50.33 N ATOM 2896 CA ILE B 88 0.803 -13.540 2.190 1.00 50.22 C ATOM 2897 C ILE B 88 -0.127 -13.988 1.066 1.00 32.34 C ATOM 2898 O ILE B 88 0.324 -14.165 -0.068 1.00 54.13 O ATOM 2899 CB ILE B 88 0.798 -11.985 2.259 1.00 63.31 C ATOM 2900 CG1 ILE B 88 1.943 -11.478 3.139 1.00 51.02 C ATOM 2901 CG2 ILE B 88 -0.541 -11.479 2.800 1.00 32.31 C ATOM 2902 CD1 ILE B 88 2.028 -9.975 3.199 1.00 34.05 C ATOM 0 H ILE B 88 2.498 -13.725 0.998 1.00 50.33 H new ATOM 0 HA ILE B 88 0.482 -13.917 3.161 1.00 50.22 H new ATOM 0 HB ILE B 88 0.939 -11.600 1.249 1.00 63.31 H new ATOM 0 HG12 ILE B 88 1.816 -11.868 4.149 1.00 51.02 H new ATOM 0 HG13 ILE B 88 2.886 -11.873 2.760 1.00 51.02 H new ATOM 0 HG21 ILE B 88 -0.528 -10.390 2.842 1.00 32.31 H new ATOM 0 HG22 ILE B 88 -1.346 -11.807 2.143 1.00 32.31 H new ATOM 0 HG23 ILE B 88 -0.704 -11.879 3.801 1.00 32.31 H new ATOM 0 HD11 ILE B 88 2.860 -9.683 3.839 1.00 34.05 H new ATOM 0 HD12 ILE B 88 2.185 -9.579 2.196 1.00 34.05 H new ATOM 0 HD13 ILE B 88 1.100 -9.574 3.606 1.00 34.05 H new ATOM 2914 N LYS B 89 -1.380 -14.203 1.373 1.00 64.22 N ATOM 2915 CA LYS B 89 -2.347 -14.617 0.396 1.00 21.45 C ATOM 2916 C LYS B 89 -2.797 -13.393 -0.415 1.00 50.44 C ATOM 2917 O LYS B 89 -2.304 -13.206 -1.555 1.00 37.64 O ATOM 2918 CB LYS B 89 -3.522 -15.332 1.125 1.00 61.02 C ATOM 2919 CG LYS B 89 -4.563 -16.028 0.232 1.00 71.41 C ATOM 2920 CD LYS B 89 -5.509 -15.075 -0.508 1.00 23.15 C ATOM 2921 CE LYS B 89 -6.404 -14.309 0.462 1.00 14.31 C ATOM 2922 NZ LYS B 89 -7.344 -13.407 -0.236 1.00 0.31 N ATOM 2923 OXT LYS B 89 -3.597 -12.599 0.091 1.00 37.64 O ATOM 0 H LYS B 89 -1.758 -14.094 2.314 1.00 64.22 H new ATOM 0 HA LYS B 89 -1.921 -15.330 -0.310 1.00 21.45 H new ATOM 0 HB2 LYS B 89 -3.101 -16.076 1.802 1.00 61.02 H new ATOM 0 HB3 LYS B 89 -4.039 -14.597 1.741 1.00 61.02 H new ATOM 0 HG2 LYS B 89 -4.041 -16.642 -0.501 1.00 71.41 H new ATOM 0 HG3 LYS B 89 -5.157 -16.703 0.848 1.00 71.41 H new ATOM 0 HD2 LYS B 89 -4.926 -14.370 -1.101 1.00 23.15 H new ATOM 0 HD3 LYS B 89 -6.127 -15.642 -1.204 1.00 23.15 H new ATOM 0 HE2 LYS B 89 -6.967 -15.017 1.070 1.00 14.31 H new ATOM 0 HE3 LYS B 89 -5.783 -13.727 1.143 1.00 14.31 H new ATOM 0 HZ1 LYS B 89 -7.931 -12.908 0.463 1.00 0.31 H new ATOM 0 HZ2 LYS B 89 -6.808 -12.713 -0.796 1.00 0.31 H new ATOM 0 HZ3 LYS B 89 -7.955 -13.964 -0.867 1.00 0.31 H new TER 2937 LYS B 89