USER MOD reduce.3.24.130724 H: found=0, std=0, add=1228, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1226 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: A 125 HIS : no HD1:sc= 0.066 K(o=0.066,f=-1.8!) USER MOD Set 1.2: A 130 ASN : amide:sc= 0 K(o=0.066,f=-0.99) USER MOD Set 2.1: A 82 ASN : amide:sc= -2.75 K(o=-4.2,f=-10!) USER MOD Set 2.2: A 83 ASN :FLIP amide:sc= -1.34 F(o=-9.8!,f=-4.2) USER MOD Set 2.3: A 84 ASN : amide:sc= -0.0594 X(o=-4.2,f=-4.3) USER MOD Set 3.1: A 45 SER OG : rot -81:sc= 1.31 USER MOD Set 3.2: A 153 HIS : no HE2:sc= 0.512 K(o=1.8,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= -0.358 (180deg=-1.15!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.642 F(o=-4.8!,f=-0.64) USER MOD Single : A 13 GLN : amide:sc= 0.0112 K(o=0.011,f=-4.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -140:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.654 X(o=-0.65,f=-0.98) USER MOD Single : A 32 GLN : amide:sc= -0.0402 K(o=-0.04,f=-0.68) USER MOD Single : A 36 MET CE :methyl -171:sc= -1.03 (180deg=-1.18) USER MOD Single : A 37 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.9) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0586 USER MOD Single : A 47 HIS : no HE2:sc= -0.571 X(o=-0.57,f=-0.15) USER MOD Single : A 55 THR OG1 : rot -172:sc= -0.459 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0794 USER MOD Single : A 68 THR OG1 : rot 109:sc= 0.725 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= -0.148 F(o=-0.78,f=-0.15) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.29 F(o=-3.4!,f=-1.3) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 124:sc= 0.345 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl 155:sc= -0.599 (180deg=-1.82) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 165:sc= 0 USER MOD Single : A 136 SER OG : rot -102:sc= -0.58 USER MOD Single : A 143 GLN :FLIP amide:sc= -0.97 F(o=-1.5,f=-0.97) USER MOD Single : A 144 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 149 SER OG : rot 169:sc= 0.961 USER MOD Single : A 152 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 154 HIS :FLIP no HE2:sc= 0.199 F(o=-0.91,f=0.2) USER MOD Single : A 155 HIS : no HD1:sc= -0.0556 X(o=-0.056,f=-0.04) USER MOD Single : A 156 HIS : no HD1:sc= -0.415 K(o=-0.41,f=-1.3) USER MOD Single : A 157 HIS : no HE2:sc= -0.619 K(o=-0.62,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.324 0.251 22.749 1.00 44.45 N ATOM 2 CA MET A 1 4.311 0.124 21.641 1.00 72.21 C ATOM 3 C MET A 1 4.685 -1.347 21.383 1.00 31.33 C ATOM 4 O MET A 1 5.262 -2.008 22.245 1.00 72.40 O ATOM 5 CB MET A 1 5.581 0.927 21.971 1.00 53.30 C ATOM 6 CG MET A 1 6.649 0.879 20.881 1.00 14.10 C ATOM 7 SD MET A 1 8.184 1.691 21.373 1.00 72.34 S ATOM 8 CE MET A 1 9.160 1.502 19.880 1.00 1.01 C ATOM 0 H1 MET A 1 3.094 1.255 22.896 1.00 44.45 H new ATOM 0 H2 MET A 1 2.458 -0.270 22.504 1.00 44.45 H new ATOM 0 H3 MET A 1 3.730 -0.143 23.622 1.00 44.45 H new ATOM 0 HA MET A 1 3.848 0.522 20.738 1.00 72.21 H new ATOM 0 HB2 MET A 1 5.305 1.966 22.149 1.00 53.30 H new ATOM 0 HB3 MET A 1 6.007 0.547 22.899 1.00 53.30 H new ATOM 0 HG2 MET A 1 6.858 -0.161 20.628 1.00 14.10 H new ATOM 0 HG3 MET A 1 6.264 1.355 19.979 1.00 14.10 H new ATOM 0 HE1 MET A 1 10.140 1.955 20.026 1.00 1.01 H new ATOM 0 HE2 MET A 1 9.280 0.442 19.655 1.00 1.01 H new ATOM 0 HE3 MET A 1 8.653 1.994 19.050 1.00 1.01 H new ATOM 20 N ARG A 2 4.342 -1.855 20.197 1.00 20.32 N ATOM 21 CA ARG A 2 4.750 -3.201 19.773 1.00 71.31 C ATOM 22 C ARG A 2 5.455 -3.141 18.407 1.00 23.33 C ATOM 23 O ARG A 2 4.889 -2.656 17.425 1.00 23.14 O ATOM 24 CB ARG A 2 3.534 -4.141 19.710 1.00 42.42 C ATOM 25 CG ARG A 2 3.898 -5.596 19.414 1.00 0.24 C ATOM 26 CD ARG A 2 2.676 -6.514 19.439 1.00 70.24 C ATOM 27 NE ARG A 2 1.990 -6.493 20.731 1.00 74.40 N ATOM 28 CZ ARG A 2 2.360 -7.186 21.777 1.00 62.31 C ATOM 29 NH1 ARG A 2 3.427 -7.923 21.742 1.00 54.03 N ATOM 30 NH2 ARG A 2 1.658 -7.141 22.863 1.00 41.53 N ATOM 0 H ARG A 2 3.780 -1.354 19.509 1.00 20.32 H new ATOM 0 HA ARG A 2 5.451 -3.596 20.508 1.00 71.31 H new ATOM 0 HB2 ARG A 2 3.000 -4.095 20.659 1.00 42.42 H new ATOM 0 HB3 ARG A 2 2.849 -3.783 18.942 1.00 42.42 H new ATOM 0 HG2 ARG A 2 4.376 -5.657 18.436 1.00 0.24 H new ATOM 0 HG3 ARG A 2 4.626 -5.943 20.147 1.00 0.24 H new ATOM 0 HD2 ARG A 2 1.981 -6.210 18.656 1.00 70.24 H new ATOM 0 HD3 ARG A 2 2.986 -7.534 19.212 1.00 70.24 H new ATOM 0 HE ARG A 2 1.167 -5.897 20.822 1.00 74.40 H new ATOM 0 HH11 ARG A 2 3.989 -7.967 20.892 1.00 54.03 H new ATOM 0 HH12 ARG A 2 3.704 -8.458 22.565 1.00 54.03 H new ATOM 0 HH21 ARG A 2 0.817 -6.566 22.903 1.00 41.53 H new ATOM 0 HH22 ARG A 2 1.946 -7.681 23.679 1.00 41.53 H new ATOM 44 N VAL A 3 6.692 -3.628 18.356 1.00 3.31 N ATOM 45 CA VAL A 3 7.527 -3.531 17.152 1.00 32.51 C ATOM 46 C VAL A 3 7.320 -4.714 16.187 1.00 2.25 C ATOM 47 O VAL A 3 7.445 -5.882 16.569 1.00 51.32 O ATOM 48 CB VAL A 3 9.027 -3.437 17.533 1.00 73.11 C ATOM 49 CG1 VAL A 3 9.918 -3.425 16.291 1.00 44.12 C ATOM 50 CG2 VAL A 3 9.284 -2.199 18.394 1.00 53.23 C ATOM 0 H VAL A 3 7.145 -4.098 19.139 1.00 3.31 H new ATOM 0 HA VAL A 3 7.216 -2.623 16.636 1.00 32.51 H new ATOM 0 HB VAL A 3 9.281 -4.324 18.114 1.00 73.11 H new ATOM 0 HG11 VAL A 3 10.963 -3.358 16.594 1.00 44.12 H new ATOM 0 HG12 VAL A 3 9.762 -4.342 15.723 1.00 44.12 H new ATOM 0 HG13 VAL A 3 9.665 -2.566 15.670 1.00 44.12 H new ATOM 0 HG21 VAL A 3 10.342 -2.149 18.652 1.00 53.23 H new ATOM 0 HG22 VAL A 3 9.003 -1.304 17.838 1.00 53.23 H new ATOM 0 HG23 VAL A 3 8.690 -2.261 19.306 1.00 53.23 H new ATOM 60 N TYR A 4 7.006 -4.396 14.934 1.00 13.01 N ATOM 61 CA TYR A 4 6.867 -5.404 13.876 1.00 73.12 C ATOM 62 C TYR A 4 7.991 -5.299 12.835 1.00 65.23 C ATOM 63 O TYR A 4 8.237 -4.233 12.273 1.00 70.33 O ATOM 64 CB TYR A 4 5.512 -5.260 13.171 1.00 1.02 C ATOM 65 CG TYR A 4 4.350 -5.884 13.921 1.00 35.22 C ATOM 66 CD1 TYR A 4 3.608 -5.154 14.844 1.00 14.04 C ATOM 67 CD2 TYR A 4 3.991 -7.208 13.692 1.00 52.13 C ATOM 68 CE1 TYR A 4 2.545 -5.729 15.516 1.00 53.40 C ATOM 69 CE2 TYR A 4 2.932 -7.787 14.358 1.00 71.32 C ATOM 70 CZ TYR A 4 2.212 -7.045 15.268 1.00 13.22 C ATOM 71 OH TYR A 4 1.160 -7.626 15.938 1.00 32.31 O ATOM 0 H TYR A 4 6.841 -3.440 14.620 1.00 13.01 H new ATOM 0 HA TYR A 4 6.932 -6.381 14.355 1.00 73.12 H new ATOM 0 HB2 TYR A 4 5.305 -4.201 13.020 1.00 1.02 H new ATOM 0 HB3 TYR A 4 5.579 -5.716 12.183 1.00 1.02 H new ATOM 0 HD1 TYR A 4 3.866 -4.123 15.038 1.00 14.04 H new ATOM 0 HD2 TYR A 4 4.552 -7.794 12.979 1.00 52.13 H new ATOM 0 HE1 TYR A 4 1.978 -5.151 16.231 1.00 53.40 H new ATOM 0 HE2 TYR A 4 2.668 -8.817 14.167 1.00 71.32 H new ATOM 0 HH TYR A 4 1.059 -8.556 15.645 1.00 32.31 H new ATOM 81 N LYS A 5 8.669 -6.417 12.588 1.00 3.13 N ATOM 82 CA LYS A 5 9.643 -6.523 11.496 1.00 45.43 C ATOM 83 C LYS A 5 9.047 -7.360 10.342 1.00 63.22 C ATOM 84 O LYS A 5 8.046 -8.054 10.535 1.00 55.52 O ATOM 85 CB LYS A 5 10.966 -7.144 12.002 1.00 51.34 C ATOM 86 CG LYS A 5 11.773 -6.240 12.943 1.00 15.43 C ATOM 87 CD LYS A 5 11.216 -6.214 14.372 1.00 61.44 C ATOM 88 CE LYS A 5 11.718 -7.384 15.220 1.00 12.30 C ATOM 89 NZ LYS A 5 11.320 -8.705 14.666 1.00 20.33 N ATOM 0 H LYS A 5 8.562 -7.272 13.133 1.00 3.13 H new ATOM 0 HA LYS A 5 9.866 -5.523 11.123 1.00 45.43 H new ATOM 0 HB2 LYS A 5 10.741 -8.077 12.519 1.00 51.34 H new ATOM 0 HB3 LYS A 5 11.586 -7.398 11.142 1.00 51.34 H new ATOM 0 HG2 LYS A 5 12.808 -6.582 12.968 1.00 15.43 H new ATOM 0 HG3 LYS A 5 11.783 -5.226 12.544 1.00 15.43 H new ATOM 0 HD2 LYS A 5 11.497 -5.276 14.851 1.00 61.44 H new ATOM 0 HD3 LYS A 5 10.127 -6.238 14.334 1.00 61.44 H new ATOM 0 HE2 LYS A 5 12.805 -7.336 15.291 1.00 12.30 H new ATOM 0 HE3 LYS A 5 11.328 -7.287 16.233 1.00 12.30 H new ATOM 0 HZ1 LYS A 5 11.342 -9.419 15.422 1.00 20.33 H new ATOM 0 HZ2 LYS A 5 10.358 -8.643 14.277 1.00 20.33 H new ATOM 0 HZ3 LYS A 5 11.981 -8.979 13.911 1.00 20.33 H new ATOM 103 N PRO A 6 9.631 -7.310 9.119 1.00 53.43 N ATOM 104 CA PRO A 6 9.080 -8.018 7.945 1.00 34.53 C ATOM 105 C PRO A 6 8.792 -9.515 8.189 1.00 63.33 C ATOM 106 O PRO A 6 7.894 -10.085 7.570 1.00 31.41 O ATOM 107 CB PRO A 6 10.159 -7.839 6.856 1.00 5.11 C ATOM 108 CG PRO A 6 11.361 -7.292 7.558 1.00 13.04 C ATOM 109 CD PRO A 6 10.851 -6.561 8.770 1.00 10.32 C ATOM 0 HA PRO A 6 8.108 -7.607 7.674 1.00 34.53 H new ATOM 0 HB2 PRO A 6 10.387 -8.789 6.372 1.00 5.11 H new ATOM 0 HB3 PRO A 6 9.818 -7.158 6.076 1.00 5.11 H new ATOM 0 HG2 PRO A 6 12.041 -8.094 7.846 1.00 13.04 H new ATOM 0 HG3 PRO A 6 11.919 -6.620 6.906 1.00 13.04 H new ATOM 0 HD2 PRO A 6 11.577 -6.571 9.583 1.00 10.32 H new ATOM 0 HD3 PRO A 6 10.634 -5.516 8.549 1.00 10.32 H new ATOM 117 N GLU A 7 9.551 -10.152 9.085 1.00 61.43 N ATOM 118 CA GLU A 7 9.337 -11.577 9.400 1.00 13.15 C ATOM 119 C GLU A 7 8.212 -11.789 10.435 1.00 72.32 C ATOM 120 O GLU A 7 7.692 -12.901 10.571 1.00 1.22 O ATOM 121 CB GLU A 7 10.640 -12.266 9.868 1.00 62.23 C ATOM 122 CG GLU A 7 11.551 -11.416 10.754 1.00 21.04 C ATOM 123 CD GLU A 7 12.446 -10.479 9.954 1.00 13.42 C ATOM 124 OE1 GLU A 7 13.398 -10.968 9.304 1.00 11.31 O ATOM 125 OE2 GLU A 7 12.194 -9.262 9.953 1.00 44.32 O ATOM 0 H GLU A 7 10.313 -9.714 9.603 1.00 61.43 H new ATOM 0 HA GLU A 7 9.020 -12.047 8.469 1.00 13.15 H new ATOM 0 HB2 GLU A 7 10.376 -13.173 10.412 1.00 62.23 H new ATOM 0 HB3 GLU A 7 11.204 -12.575 8.988 1.00 62.23 H new ATOM 0 HG2 GLU A 7 10.939 -10.829 11.439 1.00 21.04 H new ATOM 0 HG3 GLU A 7 12.172 -12.072 11.363 1.00 21.04 H new ATOM 132 N ASP A 8 7.840 -10.736 11.167 1.00 32.04 N ATOM 133 CA ASP A 8 6.677 -10.799 12.065 1.00 44.14 C ATOM 134 C ASP A 8 5.369 -10.775 11.256 1.00 64.13 C ATOM 135 O ASP A 8 4.382 -11.416 11.623 1.00 2.12 O ATOM 136 CB ASP A 8 6.684 -9.629 13.059 1.00 45.23 C ATOM 137 CG ASP A 8 7.902 -9.633 13.961 1.00 11.34 C ATOM 138 OD1 ASP A 8 8.947 -9.105 13.546 1.00 44.11 O ATOM 139 OD2 ASP A 8 7.818 -10.143 15.097 1.00 32.01 O ATOM 0 H ASP A 8 8.320 -9.836 11.159 1.00 32.04 H new ATOM 0 HA ASP A 8 6.740 -11.734 12.622 1.00 44.14 H new ATOM 0 HB2 ASP A 8 6.649 -8.689 12.508 1.00 45.23 H new ATOM 0 HB3 ASP A 8 5.784 -9.673 13.672 1.00 45.23 H new ATOM 144 N VAL A 9 5.383 -10.030 10.151 1.00 65.44 N ATOM 145 CA VAL A 9 4.219 -9.914 9.264 1.00 11.31 C ATOM 146 C VAL A 9 3.873 -11.266 8.607 1.00 13.03 C ATOM 147 O VAL A 9 4.738 -11.912 8.007 1.00 30.33 O ATOM 148 CB VAL A 9 4.472 -8.856 8.156 1.00 24.21 C ATOM 149 CG1 VAL A 9 3.266 -8.729 7.220 1.00 34.14 C ATOM 150 CG2 VAL A 9 4.820 -7.503 8.775 1.00 43.33 C ATOM 0 H VAL A 9 6.194 -9.492 9.844 1.00 65.44 H new ATOM 0 HA VAL A 9 3.377 -9.598 9.880 1.00 11.31 H new ATOM 0 HB VAL A 9 5.320 -9.193 7.560 1.00 24.21 H new ATOM 0 HG11 VAL A 9 3.476 -7.980 6.456 1.00 34.14 H new ATOM 0 HG12 VAL A 9 3.073 -9.690 6.743 1.00 34.14 H new ATOM 0 HG13 VAL A 9 2.390 -8.426 7.794 1.00 34.14 H new ATOM 0 HG21 VAL A 9 4.994 -6.775 7.983 1.00 43.33 H new ATOM 0 HG22 VAL A 9 3.995 -7.167 9.402 1.00 43.33 H new ATOM 0 HG23 VAL A 9 5.720 -7.601 9.382 1.00 43.33 H new ATOM 160 N PRO A 10 2.608 -11.722 8.718 1.00 70.55 N ATOM 161 CA PRO A 10 2.174 -12.998 8.122 1.00 62.34 C ATOM 162 C PRO A 10 2.205 -12.986 6.580 1.00 2.13 C ATOM 163 O PRO A 10 1.718 -12.052 5.939 1.00 40.20 O ATOM 164 CB PRO A 10 0.736 -13.166 8.643 1.00 64.31 C ATOM 165 CG PRO A 10 0.281 -11.783 8.963 1.00 61.41 C ATOM 166 CD PRO A 10 1.505 -11.042 9.430 1.00 23.45 C ATOM 0 HA PRO A 10 2.838 -13.817 8.397 1.00 62.34 H new ATOM 0 HB2 PRO A 10 0.095 -13.629 7.893 1.00 64.31 H new ATOM 0 HB3 PRO A 10 0.707 -13.806 9.525 1.00 64.31 H new ATOM 0 HG2 PRO A 10 -0.155 -11.303 8.087 1.00 61.41 H new ATOM 0 HG3 PRO A 10 -0.487 -11.794 9.736 1.00 61.41 H new ATOM 0 HD2 PRO A 10 1.455 -9.983 9.176 1.00 23.45 H new ATOM 0 HD3 PRO A 10 1.625 -11.105 10.512 1.00 23.45 H new ATOM 174 N ASN A 11 2.774 -14.038 5.993 1.00 64.13 N ATOM 175 CA ASN A 11 2.882 -14.153 4.534 1.00 22.53 C ATOM 176 C ASN A 11 1.514 -14.500 3.912 1.00 41.20 C ATOM 177 O ASN A 11 1.247 -15.649 3.546 1.00 33.12 O ATOM 178 CB ASN A 11 3.943 -15.208 4.175 1.00 75.42 C ATOM 179 CG ASN A 11 4.196 -15.317 2.681 1.00 0.13 C ATOM 180 OD1 ASN A 11 3.489 -16.210 2.026 1.00 43.43 O flip ATOM 181 ND2 ASN A 11 5.025 -14.613 2.124 1.00 73.14 N flip ATOM 0 H ASN A 11 3.169 -14.827 6.505 1.00 64.13 H new ATOM 0 HA ASN A 11 3.194 -13.194 4.122 1.00 22.53 H new ATOM 0 HB2 ASN A 11 4.878 -14.960 4.678 1.00 75.42 H new ATOM 0 HB3 ASN A 11 3.624 -16.179 4.555 1.00 75.42 H new ATOM 0 HD21 ASN A 11 5.557 -13.929 2.662 1.00 73.14 H new ATOM 0 HD22 ASN A 11 5.185 -14.709 1.121 1.00 73.14 H new ATOM 188 N VAL A 12 0.645 -13.493 3.812 1.00 73.43 N ATOM 189 CA VAL A 12 -0.743 -13.698 3.355 1.00 20.13 C ATOM 190 C VAL A 12 -0.832 -14.289 1.937 1.00 14.51 C ATOM 191 O VAL A 12 -1.760 -15.041 1.632 1.00 42.42 O ATOM 192 CB VAL A 12 -1.565 -12.387 3.407 1.00 41.31 C ATOM 193 CG1 VAL A 12 -1.660 -11.869 4.840 1.00 52.54 C ATOM 194 CG2 VAL A 12 -0.967 -11.328 2.483 1.00 61.24 C ATOM 0 H VAL A 12 0.871 -12.525 4.040 1.00 73.43 H new ATOM 0 HA VAL A 12 -1.167 -14.422 4.051 1.00 20.13 H new ATOM 0 HB VAL A 12 -2.573 -12.605 3.055 1.00 41.31 H new ATOM 0 HG11 VAL A 12 -2.241 -10.947 4.856 1.00 52.54 H new ATOM 0 HG12 VAL A 12 -2.148 -12.617 5.466 1.00 52.54 H new ATOM 0 HG13 VAL A 12 -0.659 -11.673 5.223 1.00 52.54 H new ATOM 0 HG21 VAL A 12 -1.564 -10.418 2.539 1.00 61.24 H new ATOM 0 HG22 VAL A 12 0.056 -11.111 2.792 1.00 61.24 H new ATOM 0 HG23 VAL A 12 -0.966 -11.698 1.458 1.00 61.24 H new ATOM 204 N GLN A 13 0.142 -13.972 1.083 1.00 10.41 N ATOM 205 CA GLN A 13 0.140 -14.449 -0.311 1.00 14.31 C ATOM 206 C GLN A 13 0.237 -15.983 -0.404 1.00 53.42 C ATOM 207 O GLN A 13 0.086 -16.558 -1.483 1.00 73.51 O ATOM 208 CB GLN A 13 1.286 -13.798 -1.096 1.00 74.11 C ATOM 209 CG GLN A 13 1.159 -12.284 -1.220 1.00 12.12 C ATOM 210 CD GLN A 13 -0.129 -11.861 -1.911 1.00 1.41 C ATOM 211 OE1 GLN A 13 -1.154 -11.656 -1.271 1.00 50.30 O ATOM 212 NE2 GLN A 13 -0.087 -11.732 -3.220 1.00 51.05 N ATOM 0 H GLN A 13 0.943 -13.389 1.326 1.00 10.41 H new ATOM 0 HA GLN A 13 -0.814 -14.157 -0.751 1.00 14.31 H new ATOM 0 HB2 GLN A 13 2.231 -14.036 -0.607 1.00 74.11 H new ATOM 0 HB3 GLN A 13 1.325 -14.234 -2.094 1.00 74.11 H new ATOM 0 HG2 GLN A 13 1.198 -11.837 -0.227 1.00 12.12 H new ATOM 0 HG3 GLN A 13 2.011 -11.896 -1.778 1.00 12.12 H new ATOM 0 HE21 GLN A 13 0.783 -11.910 -3.722 1.00 51.05 H new ATOM 0 HE22 GLN A 13 -0.924 -11.454 -3.732 1.00 51.05 H new ATOM 221 N LEU A 14 0.493 -16.634 0.728 1.00 45.35 N ATOM 222 CA LEU A 14 0.522 -18.100 0.795 1.00 71.33 C ATOM 223 C LEU A 14 -0.908 -18.665 0.784 1.00 41.01 C ATOM 224 O LEU A 14 -1.199 -19.656 0.108 1.00 64.35 O ATOM 225 CB LEU A 14 1.277 -18.536 2.069 1.00 44.11 C ATOM 226 CG LEU A 14 1.620 -20.037 2.204 1.00 15.10 C ATOM 227 CD1 LEU A 14 2.762 -20.231 3.200 1.00 14.03 C ATOM 228 CD2 LEU A 14 0.403 -20.855 2.642 1.00 55.21 C ATOM 0 H LEU A 14 0.684 -16.171 1.616 1.00 45.35 H new ATOM 0 HA LEU A 14 1.043 -18.494 -0.078 1.00 71.33 H new ATOM 0 HB2 LEU A 14 2.207 -17.970 2.122 1.00 44.11 H new ATOM 0 HB3 LEU A 14 0.679 -18.247 2.933 1.00 44.11 H new ATOM 0 HG LEU A 14 1.931 -20.394 1.222 1.00 15.10 H new ATOM 0 HD11 LEU A 14 2.994 -21.293 3.286 1.00 14.03 H new ATOM 0 HD12 LEU A 14 3.644 -19.694 2.851 1.00 14.03 H new ATOM 0 HD13 LEU A 14 2.464 -19.845 4.175 1.00 14.03 H new ATOM 0 HD21 LEU A 14 0.682 -21.905 2.726 1.00 55.21 H new ATOM 0 HD22 LEU A 14 0.051 -20.494 3.608 1.00 55.21 H new ATOM 0 HD23 LEU A 14 -0.392 -20.749 1.904 1.00 55.21 H new ATOM 240 N ALA A 15 -1.798 -18.015 1.527 1.00 1.21 N ATOM 241 CA ALA A 15 -3.174 -18.493 1.690 1.00 4.21 C ATOM 242 C ALA A 15 -4.171 -17.716 0.816 1.00 52.15 C ATOM 243 O ALA A 15 -4.958 -18.313 0.074 1.00 70.44 O ATOM 244 CB ALA A 15 -3.578 -18.403 3.156 1.00 22.13 C ATOM 0 H ALA A 15 -1.593 -17.151 2.030 1.00 1.21 H new ATOM 0 HA ALA A 15 -3.203 -19.532 1.361 1.00 4.21 H new ATOM 0 HB1 ALA A 15 -4.601 -18.759 3.274 1.00 22.13 H new ATOM 0 HB2 ALA A 15 -2.908 -19.019 3.756 1.00 22.13 H new ATOM 0 HB3 ALA A 15 -3.514 -17.367 3.488 1.00 22.13 H new ATOM 250 N ASP A 16 -4.140 -16.385 0.905 1.00 33.31 N ATOM 251 CA ASP A 16 -5.132 -15.541 0.227 1.00 52.33 C ATOM 252 C ASP A 16 -4.518 -14.656 -0.874 1.00 74.30 C ATOM 253 O ASP A 16 -4.163 -13.499 -0.638 1.00 31.25 O ATOM 254 CB ASP A 16 -5.860 -14.664 1.251 1.00 72.21 C ATOM 255 CG ASP A 16 -6.616 -15.479 2.281 1.00 22.31 C ATOM 256 OD1 ASP A 16 -7.655 -16.072 1.922 1.00 2.54 O ATOM 257 OD2 ASP A 16 -6.190 -15.519 3.453 1.00 31.14 O ATOM 0 H ASP A 16 -3.441 -15.867 1.438 1.00 33.31 H new ATOM 0 HA ASP A 16 -5.837 -16.214 -0.261 1.00 52.33 H new ATOM 0 HB2 ASP A 16 -5.136 -14.026 1.758 1.00 72.21 H new ATOM 0 HB3 ASP A 16 -6.556 -14.006 0.731 1.00 72.21 H new ATOM 262 N SER A 17 -4.407 -15.208 -2.082 1.00 52.11 N ATOM 263 CA SER A 17 -3.987 -14.431 -3.260 1.00 75.21 C ATOM 264 C SER A 17 -5.162 -13.601 -3.801 1.00 14.23 C ATOM 265 O SER A 17 -5.013 -12.796 -4.719 1.00 51.53 O ATOM 266 CB SER A 17 -3.461 -15.355 -4.367 1.00 13.45 C ATOM 267 OG SER A 17 -4.492 -16.197 -4.871 1.00 54.31 O ATOM 0 H SER A 17 -4.601 -16.190 -2.276 1.00 52.11 H new ATOM 0 HA SER A 17 -3.184 -13.762 -2.950 1.00 75.21 H new ATOM 0 HB2 SER A 17 -3.049 -14.756 -5.179 1.00 13.45 H new ATOM 0 HB3 SER A 17 -2.647 -15.966 -3.977 1.00 13.45 H new ATOM 0 HG SER A 17 -4.129 -16.773 -5.576 1.00 54.31 H new ATOM 273 N THR A 18 -6.343 -13.826 -3.228 1.00 3.53 N ATOM 274 CA THR A 18 -7.548 -13.055 -3.560 1.00 44.22 C ATOM 275 C THR A 18 -7.723 -11.864 -2.607 1.00 15.20 C ATOM 276 O THR A 18 -8.673 -11.086 -2.733 1.00 23.14 O ATOM 277 CB THR A 18 -8.810 -13.940 -3.461 1.00 3.44 C ATOM 278 OG1 THR A 18 -8.935 -14.447 -2.125 1.00 12.12 O ATOM 279 CG2 THR A 18 -8.749 -15.103 -4.446 1.00 4.43 C ATOM 0 H THR A 18 -6.495 -14.546 -2.521 1.00 3.53 H new ATOM 0 HA THR A 18 -7.424 -12.694 -4.581 1.00 44.22 H new ATOM 0 HB THR A 18 -9.677 -13.328 -3.710 1.00 3.44 H new ATOM 0 HG1 THR A 18 -9.737 -15.007 -2.061 1.00 12.12 H new ATOM 0 HG21 THR A 18 -9.651 -15.707 -4.352 1.00 4.43 H new ATOM 0 HG22 THR A 18 -8.676 -14.716 -5.462 1.00 4.43 H new ATOM 0 HG23 THR A 18 -7.876 -15.718 -4.229 1.00 4.43 H new ATOM 287 N ARG A 19 -6.796 -11.729 -1.661 1.00 72.21 N ATOM 288 CA ARG A 19 -6.889 -10.718 -0.601 1.00 75.31 C ATOM 289 C ARG A 19 -5.782 -9.658 -0.740 1.00 43.31 C ATOM 290 O ARG A 19 -6.061 -8.481 -0.955 1.00 54.42 O ATOM 291 CB ARG A 19 -6.798 -11.421 0.762 1.00 32.33 C ATOM 292 CG ARG A 19 -7.205 -10.569 1.960 1.00 73.12 C ATOM 293 CD ARG A 19 -7.200 -11.394 3.244 1.00 1.01 C ATOM 294 NE ARG A 19 -7.840 -10.704 4.363 1.00 12.04 N ATOM 295 CZ ARG A 19 -8.745 -11.250 5.132 1.00 11.45 C ATOM 296 NH1 ARG A 19 -9.196 -12.441 4.885 1.00 24.34 N ATOM 297 NH2 ARG A 19 -9.222 -10.596 6.138 1.00 64.24 N ATOM 0 H ARG A 19 -5.961 -12.313 -1.604 1.00 72.21 H new ATOM 0 HA ARG A 19 -7.844 -10.199 -0.686 1.00 75.31 H new ATOM 0 HB2 ARG A 19 -7.429 -12.310 0.737 1.00 32.33 H new ATOM 0 HB3 ARG A 19 -5.773 -11.761 0.910 1.00 32.33 H new ATOM 0 HG2 ARG A 19 -6.520 -9.727 2.062 1.00 73.12 H new ATOM 0 HG3 ARG A 19 -8.199 -10.153 1.794 1.00 73.12 H new ATOM 0 HD2 ARG A 19 -7.712 -12.339 3.065 1.00 1.01 H new ATOM 0 HD3 ARG A 19 -6.171 -11.635 3.512 1.00 1.01 H new ATOM 0 HE ARG A 19 -7.564 -9.741 4.555 1.00 12.04 H new ATOM 0 HH11 ARG A 19 -8.844 -12.963 4.083 1.00 24.34 H new ATOM 0 HH12 ARG A 19 -9.902 -12.855 5.493 1.00 24.34 H new ATOM 0 HH21 ARG A 19 -8.893 -9.651 6.334 1.00 64.24 H new ATOM 0 HH22 ARG A 19 -9.928 -11.025 6.736 1.00 64.24 H new ATOM 311 N LEU A 20 -4.521 -10.098 -0.614 1.00 52.12 N ATOM 312 CA LEU A 20 -3.340 -9.212 -0.709 1.00 2.41 C ATOM 313 C LEU A 20 -3.290 -8.168 0.432 1.00 23.25 C ATOM 314 O LEU A 20 -2.361 -7.361 0.507 1.00 2.54 O ATOM 315 CB LEU A 20 -3.270 -8.499 -2.079 1.00 54.42 C ATOM 316 CG LEU A 20 -3.118 -9.418 -3.312 1.00 22.32 C ATOM 317 CD1 LEU A 20 -4.469 -9.963 -3.773 1.00 31.44 C ATOM 318 CD2 LEU A 20 -2.417 -8.687 -4.452 1.00 24.14 C ATOM 0 H LEU A 20 -4.286 -11.076 -0.444 1.00 52.12 H new ATOM 0 HA LEU A 20 -2.470 -9.860 -0.607 1.00 2.41 H new ATOM 0 HB2 LEU A 20 -4.174 -7.903 -2.203 1.00 54.42 H new ATOM 0 HB3 LEU A 20 -2.430 -7.804 -2.062 1.00 54.42 H new ATOM 0 HG LEU A 20 -2.500 -10.266 -3.015 1.00 22.32 H new ATOM 0 HD11 LEU A 20 -4.325 -10.605 -4.642 1.00 31.44 H new ATOM 0 HD12 LEU A 20 -4.923 -10.539 -2.967 1.00 31.44 H new ATOM 0 HD13 LEU A 20 -5.124 -9.134 -4.040 1.00 31.44 H new ATOM 0 HD21 LEU A 20 -2.322 -9.355 -5.308 1.00 24.14 H new ATOM 0 HD22 LEU A 20 -3.001 -7.812 -4.737 1.00 24.14 H new ATOM 0 HD23 LEU A 20 -1.426 -8.371 -4.127 1.00 24.14 H new ATOM 330 N VAL A 21 -4.279 -8.197 1.322 1.00 21.25 N ATOM 331 CA VAL A 21 -4.352 -7.249 2.438 1.00 63.20 C ATOM 332 C VAL A 21 -3.934 -7.898 3.767 1.00 21.22 C ATOM 333 O VAL A 21 -4.425 -8.968 4.135 1.00 22.10 O ATOM 334 CB VAL A 21 -5.781 -6.664 2.577 1.00 65.13 C ATOM 335 CG1 VAL A 21 -5.911 -5.811 3.839 1.00 11.44 C ATOM 336 CG2 VAL A 21 -6.147 -5.848 1.336 1.00 3.31 C ATOM 0 H VAL A 21 -5.046 -8.869 1.294 1.00 21.25 H new ATOM 0 HA VAL A 21 -3.653 -6.443 2.213 1.00 63.20 H new ATOM 0 HB VAL A 21 -6.478 -7.497 2.665 1.00 65.13 H new ATOM 0 HG11 VAL A 21 -6.924 -5.415 3.908 1.00 11.44 H new ATOM 0 HG12 VAL A 21 -5.700 -6.424 4.716 1.00 11.44 H new ATOM 0 HG13 VAL A 21 -5.201 -4.985 3.795 1.00 11.44 H new ATOM 0 HG21 VAL A 21 -7.153 -5.444 1.450 1.00 3.31 H new ATOM 0 HG22 VAL A 21 -5.438 -5.028 1.218 1.00 3.31 H new ATOM 0 HG23 VAL A 21 -6.111 -6.489 0.455 1.00 3.31 H new ATOM 346 N THR A 22 -3.033 -7.231 4.483 1.00 54.42 N ATOM 347 CA THR A 22 -2.534 -7.707 5.779 1.00 23.35 C ATOM 348 C THR A 22 -2.721 -6.620 6.848 1.00 25.14 C ATOM 349 O THR A 22 -2.088 -5.567 6.787 1.00 21.23 O ATOM 350 CB THR A 22 -1.034 -8.079 5.688 1.00 73.42 C ATOM 351 OG1 THR A 22 -0.783 -8.807 4.477 1.00 31.53 O ATOM 352 CG2 THR A 22 -0.599 -8.926 6.878 1.00 45.31 C ATOM 0 H THR A 22 -2.625 -6.345 4.185 1.00 54.42 H new ATOM 0 HA THR A 22 -3.103 -8.595 6.055 1.00 23.35 H new ATOM 0 HB THR A 22 -0.461 -7.152 5.693 1.00 73.42 H new ATOM 0 HG1 THR A 22 -0.149 -9.533 4.657 1.00 31.53 H new ATOM 0 HG21 THR A 22 0.459 -9.170 6.783 1.00 45.31 H new ATOM 0 HG22 THR A 22 -0.762 -8.368 7.800 1.00 45.31 H new ATOM 0 HG23 THR A 22 -1.183 -9.846 6.902 1.00 45.31 H new ATOM 360 N ASP A 23 -3.600 -6.865 7.817 1.00 43.25 N ATOM 361 CA ASP A 23 -3.962 -5.839 8.804 1.00 50.41 C ATOM 362 C ASP A 23 -3.583 -6.248 10.241 1.00 64.23 C ATOM 363 O ASP A 23 -4.281 -7.038 10.884 1.00 62.23 O ATOM 364 CB ASP A 23 -5.466 -5.539 8.702 1.00 32.34 C ATOM 365 CG ASP A 23 -5.950 -4.526 9.731 1.00 54.11 C ATOM 366 OD1 ASP A 23 -5.662 -3.319 9.578 1.00 4.43 O ATOM 367 OD2 ASP A 23 -6.623 -4.934 10.700 1.00 24.33 O ATOM 0 H ASP A 23 -4.075 -7.759 7.943 1.00 43.25 H new ATOM 0 HA ASP A 23 -3.392 -4.938 8.577 1.00 50.41 H new ATOM 0 HB2 ASP A 23 -5.688 -5.165 7.702 1.00 32.34 H new ATOM 0 HB3 ASP A 23 -6.024 -6.467 8.826 1.00 32.34 H new ATOM 372 N GLU A 24 -2.463 -5.717 10.732 1.00 21.11 N ATOM 373 CA GLU A 24 -2.055 -5.901 12.135 1.00 4.24 C ATOM 374 C GLU A 24 -2.442 -4.682 12.983 1.00 2.21 C ATOM 375 O GLU A 24 -2.836 -4.817 14.145 1.00 75.34 O ATOM 376 CB GLU A 24 -0.536 -6.140 12.241 1.00 63.35 C ATOM 377 CG GLU A 24 -0.083 -7.537 11.825 1.00 11.02 C ATOM 378 CD GLU A 24 -0.442 -7.880 10.388 1.00 34.33 C ATOM 379 OE1 GLU A 24 0.142 -7.271 9.472 1.00 40.33 O ATOM 380 OE2 GLU A 24 -1.309 -8.761 10.181 1.00 53.31 O ATOM 0 H GLU A 24 -1.816 -5.153 10.181 1.00 21.11 H new ATOM 0 HA GLU A 24 -2.579 -6.778 12.515 1.00 4.24 H new ATOM 0 HB2 GLU A 24 -0.022 -5.406 11.621 1.00 63.35 H new ATOM 0 HB3 GLU A 24 -0.224 -5.963 13.270 1.00 63.35 H new ATOM 0 HG2 GLU A 24 0.997 -7.614 11.951 1.00 11.02 H new ATOM 0 HG3 GLU A 24 -0.535 -8.272 12.491 1.00 11.02 H new ATOM 387 N ALA A 25 -2.315 -3.491 12.396 1.00 13.24 N ATOM 388 CA ALA A 25 -2.655 -2.236 13.080 1.00 2.15 C ATOM 389 C ALA A 25 -4.111 -2.205 13.577 1.00 61.12 C ATOM 390 O ALA A 25 -4.413 -1.576 14.592 1.00 32.23 O ATOM 391 CB ALA A 25 -2.397 -1.052 12.155 1.00 5.31 C ATOM 0 H ALA A 25 -1.977 -3.366 11.442 1.00 13.24 H new ATOM 0 HA ALA A 25 -2.015 -2.169 13.960 1.00 2.15 H new ATOM 0 HB1 ALA A 25 -2.652 -0.126 12.670 1.00 5.31 H new ATOM 0 HB2 ALA A 25 -1.344 -1.033 11.873 1.00 5.31 H new ATOM 0 HB3 ALA A 25 -3.010 -1.150 11.259 1.00 5.31 H new ATOM 397 N GLY A 26 -5.009 -2.880 12.860 1.00 61.10 N ATOM 398 CA GLY A 26 -6.425 -2.860 13.222 1.00 32.42 C ATOM 399 C GLY A 26 -7.156 -1.659 12.634 1.00 41.44 C ATOM 400 O GLY A 26 -8.010 -1.054 13.284 1.00 13.11 O ATOM 0 H GLY A 26 -4.786 -3.440 12.037 1.00 61.10 H new ATOM 0 HA2 GLY A 26 -6.900 -3.777 12.874 1.00 32.42 H new ATOM 0 HA3 GLY A 26 -6.520 -2.844 14.308 1.00 32.42 H new ATOM 404 N LEU A 27 -6.814 -1.320 11.394 1.00 54.31 N ATOM 405 CA LEU A 27 -7.385 -0.154 10.710 1.00 43.51 C ATOM 406 C LEU A 27 -8.376 -0.579 9.617 1.00 41.12 C ATOM 407 O LEU A 27 -9.413 0.055 9.418 1.00 43.13 O ATOM 408 CB LEU A 27 -6.257 0.690 10.098 1.00 44.41 C ATOM 409 CG LEU A 27 -5.219 1.218 11.107 1.00 35.13 C ATOM 410 CD1 LEU A 27 -4.068 1.921 10.393 1.00 71.54 C ATOM 411 CD2 LEU A 27 -5.874 2.156 12.122 1.00 55.15 C ATOM 0 H LEU A 27 -6.138 -1.840 10.834 1.00 54.31 H new ATOM 0 HA LEU A 27 -7.929 0.440 11.444 1.00 43.51 H new ATOM 0 HB2 LEU A 27 -5.741 0.090 9.348 1.00 44.41 H new ATOM 0 HB3 LEU A 27 -6.700 1.539 9.577 1.00 44.41 H new ATOM 0 HG LEU A 27 -4.812 0.362 11.645 1.00 35.13 H new ATOM 0 HD11 LEU A 27 -3.350 2.284 11.129 1.00 71.54 H new ATOM 0 HD12 LEU A 27 -3.575 1.220 9.720 1.00 71.54 H new ATOM 0 HD13 LEU A 27 -4.456 2.763 9.819 1.00 71.54 H new ATOM 0 HD21 LEU A 27 -5.121 2.516 12.824 1.00 55.15 H new ATOM 0 HD22 LEU A 27 -6.318 3.004 11.600 1.00 55.15 H new ATOM 0 HD23 LEU A 27 -6.650 1.618 12.667 1.00 55.15 H new ATOM 423 N LEU A 28 -8.052 -1.658 8.910 1.00 63.45 N ATOM 424 CA LEU A 28 -8.903 -2.160 7.829 1.00 54.44 C ATOM 425 C LEU A 28 -9.921 -3.187 8.349 1.00 75.44 C ATOM 426 O LEU A 28 -9.596 -4.355 8.562 1.00 42.55 O ATOM 427 CB LEU A 28 -8.037 -2.780 6.722 1.00 43.53 C ATOM 428 CG LEU A 28 -7.057 -1.807 6.043 1.00 40.11 C ATOM 429 CD1 LEU A 28 -6.164 -2.537 5.045 1.00 61.32 C ATOM 430 CD2 LEU A 28 -7.811 -0.669 5.357 1.00 62.51 C ATOM 0 H LEU A 28 -7.205 -2.204 9.065 1.00 63.45 H new ATOM 0 HA LEU A 28 -9.460 -1.318 7.418 1.00 54.44 H new ATOM 0 HB2 LEU A 28 -7.469 -3.608 7.146 1.00 43.53 H new ATOM 0 HB3 LEU A 28 -8.693 -3.201 5.961 1.00 43.53 H new ATOM 0 HG LEU A 28 -6.420 -1.379 6.817 1.00 40.11 H new ATOM 0 HD11 LEU A 28 -5.481 -1.826 4.580 1.00 61.32 H new ATOM 0 HD12 LEU A 28 -5.590 -3.305 5.564 1.00 61.32 H new ATOM 0 HD13 LEU A 28 -6.782 -3.003 4.277 1.00 61.32 H new ATOM 0 HD21 LEU A 28 -7.098 0.006 4.884 1.00 62.51 H new ATOM 0 HD22 LEU A 28 -8.479 -1.080 4.600 1.00 62.51 H new ATOM 0 HD23 LEU A 28 -8.394 -0.121 6.097 1.00 62.51 H new ATOM 442 N SER A 29 -11.151 -2.735 8.583 1.00 32.05 N ATOM 443 CA SER A 29 -12.237 -3.622 9.032 1.00 52.13 C ATOM 444 C SER A 29 -12.719 -4.545 7.899 1.00 12.34 C ATOM 445 O SER A 29 -12.306 -4.388 6.750 1.00 5.02 O ATOM 446 CB SER A 29 -13.410 -2.791 9.561 1.00 64.44 C ATOM 447 OG SER A 29 -13.026 -2.009 10.685 1.00 53.12 O ATOM 0 H SER A 29 -11.427 -1.759 8.471 1.00 32.05 H new ATOM 0 HA SER A 29 -11.844 -4.249 9.832 1.00 52.13 H new ATOM 0 HB2 SER A 29 -13.781 -2.138 8.771 1.00 64.44 H new ATOM 0 HB3 SER A 29 -14.230 -3.453 9.839 1.00 64.44 H new ATOM 0 HG SER A 29 -13.795 -1.488 10.999 1.00 53.12 H new ATOM 453 N ASN A 30 -13.605 -5.495 8.225 1.00 5.01 N ATOM 454 CA ASN A 30 -14.087 -6.491 7.249 1.00 4.42 C ATOM 455 C ASN A 30 -14.568 -5.839 5.937 1.00 71.53 C ATOM 456 O ASN A 30 -14.194 -6.271 4.845 1.00 63.50 O ATOM 457 CB ASN A 30 -15.208 -7.353 7.859 1.00 15.44 C ATOM 458 CG ASN A 30 -16.485 -6.572 8.136 1.00 41.24 C ATOM 459 OD1 ASN A 30 -17.366 -6.477 7.287 1.00 44.00 O ATOM 460 ND2 ASN A 30 -16.597 -6.008 9.318 1.00 1.11 N ATOM 0 H ASN A 30 -14.005 -5.598 9.158 1.00 5.01 H new ATOM 0 HA ASN A 30 -13.239 -7.131 7.003 1.00 4.42 H new ATOM 0 HB2 ASN A 30 -15.434 -8.176 7.181 1.00 15.44 H new ATOM 0 HB3 ASN A 30 -14.852 -7.795 8.789 1.00 15.44 H new ATOM 0 HD21 ASN A 30 -17.434 -5.473 9.551 1.00 1.11 H new ATOM 0 HD22 ASN A 30 -15.847 -6.105 10.003 1.00 1.11 H new ATOM 467 N ALA A 31 -15.383 -4.786 6.050 1.00 3.22 N ATOM 468 CA ALA A 31 -15.892 -4.076 4.869 1.00 41.32 C ATOM 469 C ALA A 31 -14.758 -3.385 4.099 1.00 25.31 C ATOM 470 O ALA A 31 -14.661 -3.500 2.877 1.00 62.13 O ATOM 471 CB ALA A 31 -16.951 -3.058 5.278 1.00 32.42 C ATOM 0 H ALA A 31 -15.704 -4.407 6.941 1.00 3.22 H new ATOM 0 HA ALA A 31 -16.346 -4.813 4.206 1.00 41.32 H new ATOM 0 HB1 ALA A 31 -17.319 -2.540 4.392 1.00 32.42 H new ATOM 0 HB2 ALA A 31 -17.779 -3.571 5.768 1.00 32.42 H new ATOM 0 HB3 ALA A 31 -16.514 -2.335 5.966 1.00 32.42 H new ATOM 477 N GLN A 32 -13.898 -2.673 4.830 1.00 2.20 N ATOM 478 CA GLN A 32 -12.738 -1.995 4.237 1.00 53.12 C ATOM 479 C GLN A 32 -11.856 -2.984 3.460 1.00 43.11 C ATOM 480 O GLN A 32 -11.406 -2.693 2.347 1.00 41.43 O ATOM 481 CB GLN A 32 -11.914 -1.303 5.333 1.00 52.30 C ATOM 482 CG GLN A 32 -12.660 -0.183 6.055 1.00 43.14 C ATOM 483 CD GLN A 32 -12.966 1.003 5.150 1.00 22.11 C ATOM 484 OE1 GLN A 32 -12.234 1.293 4.214 1.00 1.12 O ATOM 485 NE2 GLN A 32 -14.052 1.698 5.423 1.00 25.23 N ATOM 0 H GLN A 32 -13.982 -2.549 5.839 1.00 2.20 H new ATOM 0 HA GLN A 32 -13.105 -1.245 3.537 1.00 53.12 H new ATOM 0 HB2 GLN A 32 -11.602 -2.049 6.064 1.00 52.30 H new ATOM 0 HB3 GLN A 32 -11.007 -0.894 4.888 1.00 52.30 H new ATOM 0 HG2 GLN A 32 -13.593 -0.576 6.459 1.00 43.14 H new ATOM 0 HG3 GLN A 32 -12.064 0.157 6.902 1.00 43.14 H new ATOM 0 HE21 GLN A 32 -14.643 1.432 6.210 1.00 25.23 H new ATOM 0 HE22 GLN A 32 -14.301 2.502 4.847 1.00 25.23 H new ATOM 494 N GLU A 33 -11.620 -4.158 4.050 1.00 60.52 N ATOM 495 CA GLU A 33 -10.849 -5.209 3.385 1.00 34.03 C ATOM 496 C GLU A 33 -11.525 -5.651 2.087 1.00 10.10 C ATOM 497 O GLU A 33 -10.917 -5.605 1.035 1.00 75.12 O ATOM 498 CB GLU A 33 -10.658 -6.433 4.292 1.00 63.43 C ATOM 499 CG GLU A 33 -9.724 -6.207 5.474 1.00 42.23 C ATOM 500 CD GLU A 33 -9.348 -7.511 6.160 1.00 74.52 C ATOM 501 OE1 GLU A 33 -10.171 -8.038 6.941 1.00 2.11 O ATOM 502 OE2 GLU A 33 -8.241 -8.035 5.900 1.00 42.22 O ATOM 0 H GLU A 33 -11.951 -4.404 4.983 1.00 60.52 H new ATOM 0 HA GLU A 33 -9.872 -4.783 3.158 1.00 34.03 H new ATOM 0 HB2 GLU A 33 -11.632 -6.744 4.670 1.00 63.43 H new ATOM 0 HB3 GLU A 33 -10.271 -7.256 3.692 1.00 63.43 H new ATOM 0 HG2 GLU A 33 -8.820 -5.704 5.131 1.00 42.23 H new ATOM 0 HG3 GLU A 33 -10.204 -5.544 6.194 1.00 42.23 H new ATOM 509 N GLU A 34 -12.793 -6.057 2.163 1.00 5.33 N ATOM 510 CA GLU A 34 -13.507 -6.589 0.987 1.00 53.32 C ATOM 511 C GLU A 34 -13.427 -5.628 -0.216 1.00 23.41 C ATOM 512 O GLU A 34 -13.273 -6.056 -1.364 1.00 23.12 O ATOM 513 CB GLU A 34 -14.975 -6.877 1.339 1.00 3.13 C ATOM 514 CG GLU A 34 -15.713 -7.713 0.296 1.00 52.31 C ATOM 515 CD GLU A 34 -15.115 -9.106 0.130 1.00 63.31 C ATOM 516 OE1 GLU A 34 -15.209 -9.914 1.080 1.00 24.14 O ATOM 517 OE2 GLU A 34 -14.535 -9.395 -0.936 1.00 10.53 O ATOM 0 H GLU A 34 -13.349 -6.031 3.018 1.00 5.33 H new ATOM 0 HA GLU A 34 -13.017 -7.519 0.700 1.00 53.32 H new ATOM 0 HB2 GLU A 34 -15.013 -7.395 2.297 1.00 3.13 H new ATOM 0 HB3 GLU A 34 -15.499 -5.930 1.467 1.00 3.13 H new ATOM 0 HG2 GLU A 34 -16.761 -7.803 0.583 1.00 52.31 H new ATOM 0 HG3 GLU A 34 -15.689 -7.195 -0.663 1.00 52.31 H new ATOM 524 N VAL A 35 -13.520 -4.326 0.054 1.00 1.03 N ATOM 525 CA VAL A 35 -13.412 -3.305 -0.996 1.00 24.41 C ATOM 526 C VAL A 35 -11.989 -3.248 -1.589 1.00 33.41 C ATOM 527 O VAL A 35 -11.811 -3.154 -2.807 1.00 4.44 O ATOM 528 CB VAL A 35 -13.805 -1.902 -0.460 1.00 62.42 C ATOM 529 CG1 VAL A 35 -13.705 -0.846 -1.561 1.00 34.20 C ATOM 530 CG2 VAL A 35 -15.213 -1.928 0.137 1.00 63.13 C ATOM 0 H VAL A 35 -13.670 -3.950 0.990 1.00 1.03 H new ATOM 0 HA VAL A 35 -14.107 -3.591 -1.785 1.00 24.41 H new ATOM 0 HB VAL A 35 -13.102 -1.633 0.328 1.00 62.42 H new ATOM 0 HG11 VAL A 35 -13.986 0.127 -1.158 1.00 34.20 H new ATOM 0 HG12 VAL A 35 -12.681 -0.803 -1.932 1.00 34.20 H new ATOM 0 HG13 VAL A 35 -14.377 -1.108 -2.378 1.00 34.20 H new ATOM 0 HG21 VAL A 35 -15.470 -0.935 0.507 1.00 63.13 H new ATOM 0 HG22 VAL A 35 -15.928 -2.225 -0.630 1.00 63.13 H new ATOM 0 HG23 VAL A 35 -15.246 -2.642 0.960 1.00 63.13 H new ATOM 540 N MET A 36 -10.977 -3.313 -0.724 1.00 54.32 N ATOM 541 CA MET A 36 -9.577 -3.271 -1.169 1.00 42.23 C ATOM 542 C MET A 36 -9.167 -4.596 -1.842 1.00 1.21 C ATOM 543 O MET A 36 -8.555 -4.594 -2.912 1.00 55.23 O ATOM 544 CB MET A 36 -8.660 -2.958 0.021 1.00 24.30 C ATOM 545 CG MET A 36 -7.205 -2.717 -0.363 1.00 54.20 C ATOM 546 SD MET A 36 -6.198 -2.187 1.038 1.00 0.52 S ATOM 547 CE MET A 36 -7.024 -0.667 1.502 1.00 20.05 C ATOM 0 H MET A 36 -11.096 -3.395 0.286 1.00 54.32 H new ATOM 0 HA MET A 36 -9.474 -2.480 -1.911 1.00 42.23 H new ATOM 0 HB2 MET A 36 -9.040 -2.076 0.537 1.00 24.30 H new ATOM 0 HB3 MET A 36 -8.706 -3.785 0.729 1.00 24.30 H new ATOM 0 HG2 MET A 36 -6.787 -3.633 -0.781 1.00 54.20 H new ATOM 0 HG3 MET A 36 -7.160 -1.960 -1.146 1.00 54.20 H new ATOM 0 HE1 MET A 36 -6.427 -0.142 2.248 1.00 20.05 H new ATOM 0 HE2 MET A 36 -7.144 -0.035 0.622 1.00 20.05 H new ATOM 0 HE3 MET A 36 -8.004 -0.898 1.919 1.00 20.05 H new ATOM 557 N ASN A 37 -9.520 -5.717 -1.211 1.00 43.42 N ATOM 558 CA ASN A 37 -9.305 -7.055 -1.780 1.00 60.11 C ATOM 559 C ASN A 37 -9.851 -7.139 -3.209 1.00 4.11 C ATOM 560 O ASN A 37 -9.214 -7.700 -4.094 1.00 0.43 O ATOM 561 CB ASN A 37 -9.999 -8.126 -0.918 1.00 13.12 C ATOM 562 CG ASN A 37 -9.480 -8.179 0.507 1.00 54.23 C ATOM 563 OD1 ASN A 37 -8.329 -7.878 0.774 1.00 13.11 O ATOM 564 ND2 ASN A 37 -10.323 -8.579 1.440 1.00 33.31 N ATOM 0 H ASN A 37 -9.963 -5.727 -0.292 1.00 43.42 H new ATOM 0 HA ASN A 37 -8.230 -7.235 -1.796 1.00 60.11 H new ATOM 0 HB2 ASN A 37 -11.071 -7.929 -0.900 1.00 13.12 H new ATOM 0 HB3 ASN A 37 -9.862 -9.102 -1.384 1.00 13.12 H new ATOM 0 HD21 ASN A 37 -10.017 -8.642 2.411 1.00 33.31 H new ATOM 0 HD22 ASN A 37 -11.281 -8.825 1.190 1.00 33.31 H new ATOM 571 N GLY A 38 -11.038 -6.573 -3.418 1.00 63.04 N ATOM 572 CA GLY A 38 -11.657 -6.576 -4.738 1.00 13.13 C ATOM 573 C GLY A 38 -10.822 -5.870 -5.806 1.00 12.53 C ATOM 574 O GLY A 38 -10.617 -6.407 -6.899 1.00 32.21 O ATOM 0 H GLY A 38 -11.586 -6.109 -2.694 1.00 63.04 H new ATOM 0 HA2 GLY A 38 -11.830 -7.607 -5.047 1.00 13.13 H new ATOM 0 HA3 GLY A 38 -12.633 -6.094 -4.674 1.00 13.13 H new ATOM 578 N ARG A 39 -10.330 -4.670 -5.495 1.00 31.53 N ATOM 579 CA ARG A 39 -9.550 -3.884 -6.463 1.00 61.34 C ATOM 580 C ARG A 39 -8.129 -4.444 -6.651 1.00 74.42 C ATOM 581 O ARG A 39 -7.586 -4.407 -7.753 1.00 70.42 O ATOM 582 CB ARG A 39 -9.518 -2.396 -6.061 1.00 72.21 C ATOM 583 CG ARG A 39 -8.970 -2.118 -4.665 1.00 71.11 C ATOM 584 CD ARG A 39 -9.202 -0.667 -4.246 1.00 13.50 C ATOM 585 NE ARG A 39 -10.620 -0.308 -4.295 1.00 32.11 N ATOM 586 CZ ARG A 39 -11.131 0.769 -3.763 1.00 21.42 C ATOM 587 NH1 ARG A 39 -10.382 1.631 -3.156 1.00 41.41 N ATOM 588 NH2 ARG A 39 -12.400 0.988 -3.853 1.00 22.40 N ATOM 0 H ARG A 39 -10.454 -4.220 -4.588 1.00 31.53 H new ATOM 0 HA ARG A 39 -10.051 -3.965 -7.428 1.00 61.34 H new ATOM 0 HB2 ARG A 39 -8.914 -1.852 -6.787 1.00 72.21 H new ATOM 0 HB3 ARG A 39 -10.530 -1.996 -6.124 1.00 72.21 H new ATOM 0 HG2 ARG A 39 -9.447 -2.785 -3.947 1.00 71.11 H new ATOM 0 HG3 ARG A 39 -7.902 -2.337 -4.643 1.00 71.11 H new ATOM 0 HD2 ARG A 39 -8.823 -0.515 -3.235 1.00 13.50 H new ATOM 0 HD3 ARG A 39 -8.636 -0.004 -4.901 1.00 13.50 H new ATOM 0 HE ARG A 39 -11.254 -0.944 -4.779 1.00 32.11 H new ATOM 0 HH11 ARG A 39 -9.376 1.474 -3.088 1.00 41.41 H new ATOM 0 HH12 ARG A 39 -10.797 2.468 -2.746 1.00 41.41 H new ATOM 0 HH21 ARG A 39 -13.000 0.321 -4.338 1.00 22.40 H new ATOM 0 HH22 ARG A 39 -12.803 1.828 -3.439 1.00 22.40 H new ATOM 602 N LEU A 40 -7.534 -4.976 -5.585 1.00 34.31 N ATOM 603 CA LEU A 40 -6.230 -5.652 -5.692 1.00 14.43 C ATOM 604 C LEU A 40 -6.364 -6.954 -6.494 1.00 72.04 C ATOM 605 O LEU A 40 -5.520 -7.285 -7.333 1.00 60.10 O ATOM 606 CB LEU A 40 -5.661 -5.936 -4.296 1.00 22.33 C ATOM 607 CG LEU A 40 -5.336 -4.685 -3.468 1.00 51.52 C ATOM 608 CD1 LEU A 40 -4.796 -5.068 -2.092 1.00 71.44 C ATOM 609 CD2 LEU A 40 -4.344 -3.797 -4.216 1.00 64.31 C ATOM 0 H LEU A 40 -7.925 -4.956 -4.643 1.00 34.31 H new ATOM 0 HA LEU A 40 -5.540 -4.994 -6.220 1.00 14.43 H new ATOM 0 HB2 LEU A 40 -6.377 -6.544 -3.744 1.00 22.33 H new ATOM 0 HB3 LEU A 40 -4.753 -6.530 -4.403 1.00 22.33 H new ATOM 0 HG LEU A 40 -6.257 -4.121 -3.319 1.00 51.52 H new ATOM 0 HD11 LEU A 40 -4.573 -4.165 -1.524 1.00 71.44 H new ATOM 0 HD12 LEU A 40 -5.543 -5.657 -1.559 1.00 71.44 H new ATOM 0 HD13 LEU A 40 -3.886 -5.657 -2.209 1.00 71.44 H new ATOM 0 HD21 LEU A 40 -4.123 -2.914 -3.617 1.00 64.31 H new ATOM 0 HD22 LEU A 40 -3.424 -4.352 -4.397 1.00 64.31 H new ATOM 0 HD23 LEU A 40 -4.776 -3.490 -5.168 1.00 64.31 H new ATOM 621 N ARG A 41 -7.444 -7.682 -6.223 1.00 53.55 N ATOM 622 CA ARG A 41 -7.806 -8.878 -6.985 1.00 52.32 C ATOM 623 C ARG A 41 -8.006 -8.527 -8.467 1.00 53.20 C ATOM 624 O ARG A 41 -7.597 -9.274 -9.354 1.00 11.14 O ATOM 625 CB ARG A 41 -9.090 -9.473 -6.393 1.00 20.55 C ATOM 626 CG ARG A 41 -9.446 -10.870 -6.883 1.00 32.25 C ATOM 627 CD ARG A 41 -10.714 -11.376 -6.201 1.00 30.03 C ATOM 628 NE ARG A 41 -10.633 -11.247 -4.742 1.00 11.02 N ATOM 629 CZ ARG A 41 -11.590 -11.566 -3.912 1.00 55.34 C ATOM 630 NH1 ARG A 41 -12.707 -12.061 -4.337 1.00 30.32 N ATOM 631 NH2 ARG A 41 -11.418 -11.387 -2.646 1.00 62.33 N ATOM 0 H ARG A 41 -8.094 -7.461 -5.469 1.00 53.55 H new ATOM 0 HA ARG A 41 -7.003 -9.612 -6.920 1.00 52.32 H new ATOM 0 HB2 ARG A 41 -8.991 -9.501 -5.308 1.00 20.55 H new ATOM 0 HB3 ARG A 41 -9.920 -8.804 -6.621 1.00 20.55 H new ATOM 0 HG2 ARG A 41 -9.590 -10.856 -7.963 1.00 32.25 H new ATOM 0 HG3 ARG A 41 -8.621 -11.553 -6.680 1.00 32.25 H new ATOM 0 HD2 ARG A 41 -11.574 -10.816 -6.569 1.00 30.03 H new ATOM 0 HD3 ARG A 41 -10.878 -12.421 -6.466 1.00 30.03 H new ATOM 0 HE ARG A 41 -9.766 -10.882 -4.347 1.00 11.02 H new ATOM 0 HH11 ARG A 41 -12.852 -12.208 -5.336 1.00 30.32 H new ATOM 0 HH12 ARG A 41 -13.442 -12.304 -3.673 1.00 30.32 H new ATOM 0 HH21 ARG A 41 -10.540 -10.999 -2.300 1.00 62.33 H new ATOM 0 HH22 ARG A 41 -12.160 -11.633 -1.991 1.00 62.33 H new ATOM 645 N ALA A 42 -8.623 -7.369 -8.715 1.00 70.43 N ATOM 646 CA ALA A 42 -8.812 -6.857 -10.077 1.00 60.24 C ATOM 647 C ALA A 42 -7.466 -6.645 -10.789 1.00 74.41 C ATOM 648 O ALA A 42 -7.279 -7.064 -11.933 1.00 60.34 O ATOM 649 CB ALA A 42 -9.604 -5.549 -10.043 1.00 1.44 C ATOM 0 H ALA A 42 -9.003 -6.764 -7.987 1.00 70.43 H new ATOM 0 HA ALA A 42 -9.374 -7.602 -10.640 1.00 60.24 H new ATOM 0 HB1 ALA A 42 -9.738 -5.178 -11.059 1.00 1.44 H new ATOM 0 HB2 ALA A 42 -10.579 -5.726 -9.590 1.00 1.44 H new ATOM 0 HB3 ALA A 42 -9.060 -4.809 -9.456 1.00 1.44 H new ATOM 655 N ILE A 43 -6.531 -5.999 -10.096 1.00 21.42 N ATOM 656 CA ILE A 43 -5.187 -5.754 -10.633 1.00 21.43 C ATOM 657 C ILE A 43 -4.474 -7.065 -11.003 1.00 64.21 C ATOM 658 O ILE A 43 -3.981 -7.218 -12.124 1.00 21.22 O ATOM 659 CB ILE A 43 -4.319 -4.964 -9.622 1.00 74.13 C ATOM 660 CG1 ILE A 43 -4.975 -3.610 -9.306 1.00 4.34 C ATOM 661 CG2 ILE A 43 -2.902 -4.763 -10.163 1.00 1.34 C ATOM 662 CD1 ILE A 43 -4.254 -2.809 -8.247 1.00 24.41 C ATOM 0 H ILE A 43 -6.677 -5.632 -9.155 1.00 21.42 H new ATOM 0 HA ILE A 43 -5.313 -5.161 -11.539 1.00 21.43 H new ATOM 0 HB ILE A 43 -4.249 -5.542 -8.700 1.00 74.13 H new ATOM 0 HG12 ILE A 43 -5.026 -3.020 -10.221 1.00 4.34 H new ATOM 0 HG13 ILE A 43 -6.001 -3.782 -8.981 1.00 4.34 H new ATOM 0 HG21 ILE A 43 -2.311 -4.206 -9.436 1.00 1.34 H new ATOM 0 HG22 ILE A 43 -2.439 -5.734 -10.340 1.00 1.34 H new ATOM 0 HG23 ILE A 43 -2.945 -4.206 -11.099 1.00 1.34 H new ATOM 0 HD11 ILE A 43 -4.779 -1.868 -8.082 1.00 24.41 H new ATOM 0 HD12 ILE A 43 -4.226 -3.377 -7.317 1.00 24.41 H new ATOM 0 HD13 ILE A 43 -3.236 -2.603 -8.577 1.00 24.41 H new ATOM 674 N ARG A 44 -4.427 -8.013 -10.064 1.00 22.11 N ATOM 675 CA ARG A 44 -3.784 -9.308 -10.318 1.00 45.10 C ATOM 676 C ARG A 44 -4.530 -10.108 -11.400 1.00 12.21 C ATOM 677 O ARG A 44 -3.917 -10.833 -12.181 1.00 72.32 O ATOM 678 CB ARG A 44 -3.680 -10.141 -9.030 1.00 34.01 C ATOM 679 CG ARG A 44 -2.976 -11.482 -9.242 1.00 42.42 C ATOM 680 CD ARG A 44 -2.819 -12.281 -7.949 1.00 45.11 C ATOM 681 NE ARG A 44 -4.100 -12.609 -7.321 1.00 42.22 N ATOM 682 CZ ARG A 44 -4.976 -13.452 -7.806 1.00 12.22 C ATOM 683 NH1 ARG A 44 -4.814 -13.995 -8.968 1.00 60.15 N ATOM 684 NH2 ARG A 44 -6.028 -13.746 -7.116 1.00 61.14 N ATOM 0 H ARG A 44 -4.822 -7.912 -9.129 1.00 22.11 H new ATOM 0 HA ARG A 44 -2.778 -9.097 -10.680 1.00 45.10 H new ATOM 0 HB2 ARG A 44 -3.140 -9.568 -8.276 1.00 34.01 H new ATOM 0 HB3 ARG A 44 -4.681 -10.320 -8.638 1.00 34.01 H new ATOM 0 HG2 ARG A 44 -3.541 -12.073 -9.963 1.00 42.42 H new ATOM 0 HG3 ARG A 44 -1.992 -11.306 -9.676 1.00 42.42 H new ATOM 0 HD2 ARG A 44 -2.278 -13.203 -8.161 1.00 45.11 H new ATOM 0 HD3 ARG A 44 -2.212 -11.710 -7.247 1.00 45.11 H new ATOM 0 HE ARG A 44 -4.327 -12.147 -6.441 1.00 42.22 H new ATOM 0 HH11 ARG A 44 -3.991 -13.769 -9.526 1.00 60.15 H new ATOM 0 HH12 ARG A 44 -5.509 -14.649 -9.327 1.00 60.15 H new ATOM 0 HH21 ARG A 44 -6.172 -13.322 -6.200 1.00 61.14 H new ATOM 0 HH22 ARG A 44 -6.715 -14.402 -7.488 1.00 61.14 H new ATOM 698 N SER A 45 -5.852 -9.970 -11.446 1.00 43.50 N ATOM 699 CA SER A 45 -6.665 -10.674 -12.449 1.00 20.24 C ATOM 700 C SER A 45 -6.560 -10.012 -13.829 1.00 35.12 C ATOM 701 O SER A 45 -6.806 -10.647 -14.853 1.00 23.41 O ATOM 702 CB SER A 45 -8.138 -10.722 -12.019 1.00 60.30 C ATOM 703 OG SER A 45 -8.926 -11.453 -12.948 1.00 31.24 O ATOM 0 H SER A 45 -6.386 -9.382 -10.807 1.00 43.50 H new ATOM 0 HA SER A 45 -6.274 -11.689 -12.521 1.00 20.24 H new ATOM 0 HB2 SER A 45 -8.216 -11.181 -11.033 1.00 60.30 H new ATOM 0 HB3 SER A 45 -8.526 -9.707 -11.930 1.00 60.30 H new ATOM 0 HG SER A 45 -9.146 -10.880 -13.712 1.00 31.24 H new ATOM 709 N SER A 46 -6.212 -8.725 -13.854 1.00 63.41 N ATOM 710 CA SER A 46 -6.077 -7.989 -15.121 1.00 73.12 C ATOM 711 C SER A 46 -4.607 -7.868 -15.553 1.00 33.23 C ATOM 712 O SER A 46 -4.186 -8.503 -16.518 1.00 10.22 O ATOM 713 CB SER A 46 -6.709 -6.591 -15.010 1.00 3.15 C ATOM 714 OG SER A 46 -6.670 -5.909 -16.254 1.00 41.34 O ATOM 0 H SER A 46 -6.019 -8.170 -13.020 1.00 63.41 H new ATOM 0 HA SER A 46 -6.608 -8.559 -15.884 1.00 73.12 H new ATOM 0 HB2 SER A 46 -7.742 -6.682 -14.675 1.00 3.15 H new ATOM 0 HB3 SER A 46 -6.179 -6.008 -14.256 1.00 3.15 H new ATOM 0 HG SER A 46 -7.079 -5.024 -16.155 1.00 41.34 H new ATOM 720 N HIS A 47 -3.826 -7.069 -14.824 1.00 12.53 N ATOM 721 CA HIS A 47 -2.422 -6.807 -15.184 1.00 53.12 C ATOM 722 C HIS A 47 -1.458 -7.859 -14.604 1.00 24.23 C ATOM 723 O HIS A 47 -0.262 -7.831 -14.897 1.00 61.35 O ATOM 724 CB HIS A 47 -2.006 -5.408 -14.705 1.00 51.45 C ATOM 725 CG HIS A 47 -2.707 -4.288 -15.419 1.00 30.04 C ATOM 726 ND1 HIS A 47 -2.126 -3.647 -16.488 1.00 64.43 N ATOM 727 CD2 HIS A 47 -3.921 -3.734 -15.180 1.00 10.12 C ATOM 728 CE1 HIS A 47 -2.991 -2.728 -16.871 1.00 0.11 C ATOM 729 NE2 HIS A 47 -4.093 -2.741 -16.111 1.00 1.13 N ATOM 0 H HIS A 47 -4.138 -6.590 -13.979 1.00 12.53 H new ATOM 0 HA HIS A 47 -2.356 -6.865 -16.270 1.00 53.12 H new ATOM 0 HB2 HIS A 47 -2.205 -5.326 -13.637 1.00 51.45 H new ATOM 0 HB3 HIS A 47 -0.930 -5.294 -14.838 1.00 51.45 H new ATOM 0 HD1 HIS A 47 -1.214 -3.842 -16.900 1.00 64.43 H new ATOM 0 HD2 HIS A 47 -4.618 -4.019 -14.406 1.00 10.12 H new ATOM 0 HE1 HIS A 47 -2.830 -2.049 -17.695 1.00 0.11 H new ATOM 737 N ALA A 48 -1.981 -8.773 -13.781 1.00 14.55 N ATOM 738 CA ALA A 48 -1.177 -9.855 -13.177 1.00 20.31 C ATOM 739 C ALA A 48 -0.137 -9.325 -12.169 1.00 42.12 C ATOM 740 O ALA A 48 0.825 -10.019 -11.828 1.00 33.55 O ATOM 741 CB ALA A 48 -0.501 -10.692 -14.265 1.00 54.42 C ATOM 0 H ALA A 48 -2.965 -8.790 -13.513 1.00 14.55 H new ATOM 0 HA ALA A 48 -1.863 -10.490 -12.617 1.00 20.31 H new ATOM 0 HB1 ALA A 48 0.087 -11.484 -13.802 1.00 54.42 H new ATOM 0 HB2 ALA A 48 -1.261 -11.134 -14.909 1.00 54.42 H new ATOM 0 HB3 ALA A 48 0.153 -10.055 -14.860 1.00 54.42 H new ATOM 747 N VAL A 49 -0.353 -8.107 -11.674 1.00 10.24 N ATOM 748 CA VAL A 49 0.551 -7.487 -10.695 1.00 64.03 C ATOM 749 C VAL A 49 0.127 -7.805 -9.251 1.00 21.23 C ATOM 750 O VAL A 49 -1.050 -7.704 -8.905 1.00 12.15 O ATOM 751 CB VAL A 49 0.599 -5.948 -10.874 1.00 21.04 C ATOM 752 CG1 VAL A 49 1.525 -5.296 -9.845 1.00 70.35 C ATOM 753 CG2 VAL A 49 1.030 -5.593 -12.294 1.00 32.24 C ATOM 0 H VAL A 49 -1.149 -7.524 -11.934 1.00 10.24 H new ATOM 0 HA VAL A 49 1.541 -7.906 -10.876 1.00 64.03 H new ATOM 0 HB VAL A 49 -0.405 -5.557 -10.707 1.00 21.04 H new ATOM 0 HG11 VAL A 49 1.536 -4.217 -9.998 1.00 70.35 H new ATOM 0 HG12 VAL A 49 1.165 -5.516 -8.840 1.00 70.35 H new ATOM 0 HG13 VAL A 49 2.535 -5.690 -9.963 1.00 70.35 H new ATOM 0 HG21 VAL A 49 1.059 -4.509 -12.405 1.00 32.24 H new ATOM 0 HG22 VAL A 49 2.021 -6.004 -12.487 1.00 32.24 H new ATOM 0 HG23 VAL A 49 0.318 -6.012 -13.006 1.00 32.24 H new ATOM 763 N GLU A 50 1.089 -8.187 -8.413 1.00 21.40 N ATOM 764 CA GLU A 50 0.820 -8.426 -6.994 1.00 52.24 C ATOM 765 C GLU A 50 0.975 -7.130 -6.188 1.00 74.21 C ATOM 766 O GLU A 50 2.085 -6.736 -5.824 1.00 41.14 O ATOM 767 CB GLU A 50 1.748 -9.513 -6.434 1.00 32.34 C ATOM 768 CG GLU A 50 1.533 -10.892 -7.052 1.00 23.35 C ATOM 769 CD GLU A 50 2.289 -11.988 -6.315 1.00 41.50 C ATOM 770 OE1 GLU A 50 1.787 -12.463 -5.273 1.00 31.32 O ATOM 771 OE2 GLU A 50 3.380 -12.388 -6.776 1.00 71.42 O ATOM 0 H GLU A 50 2.059 -8.338 -8.690 1.00 21.40 H new ATOM 0 HA GLU A 50 -0.209 -8.773 -6.902 1.00 52.24 H new ATOM 0 HB2 GLU A 50 2.783 -9.211 -6.595 1.00 32.34 H new ATOM 0 HB3 GLU A 50 1.601 -9.582 -5.356 1.00 32.34 H new ATOM 0 HG2 GLU A 50 0.468 -11.125 -7.049 1.00 23.35 H new ATOM 0 HG3 GLU A 50 1.852 -10.873 -8.094 1.00 23.35 H new ATOM 778 N PHE A 51 -0.148 -6.467 -5.939 1.00 42.44 N ATOM 779 CA PHE A 51 -0.181 -5.221 -5.169 1.00 70.11 C ATOM 780 C PHE A 51 -0.703 -5.501 -3.748 1.00 41.32 C ATOM 781 O PHE A 51 -1.906 -5.608 -3.531 1.00 23.41 O ATOM 782 CB PHE A 51 -1.074 -4.203 -5.901 1.00 65.43 C ATOM 783 CG PHE A 51 -1.089 -2.796 -5.334 1.00 64.31 C ATOM 784 CD1 PHE A 51 -0.267 -2.417 -4.277 1.00 53.42 C ATOM 785 CD2 PHE A 51 -1.940 -1.844 -5.880 1.00 74.01 C ATOM 786 CE1 PHE A 51 -0.302 -1.125 -3.783 1.00 63.24 C ATOM 787 CE2 PHE A 51 -1.976 -0.557 -5.391 1.00 74.13 C ATOM 788 CZ PHE A 51 -1.159 -0.195 -4.345 1.00 1.24 C ATOM 0 H PHE A 51 -1.064 -6.775 -6.264 1.00 42.44 H new ATOM 0 HA PHE A 51 0.823 -4.806 -5.082 1.00 70.11 H new ATOM 0 HB2 PHE A 51 -0.752 -4.150 -6.941 1.00 65.43 H new ATOM 0 HB3 PHE A 51 -2.096 -4.583 -5.903 1.00 65.43 H new ATOM 0 HD1 PHE A 51 0.405 -3.139 -3.838 1.00 53.42 H new ATOM 0 HD2 PHE A 51 -2.585 -2.118 -6.702 1.00 74.01 H new ATOM 0 HE1 PHE A 51 0.338 -0.843 -2.960 1.00 63.24 H new ATOM 0 HE2 PHE A 51 -2.646 0.168 -5.829 1.00 74.13 H new ATOM 0 HZ PHE A 51 -1.186 0.815 -3.963 1.00 1.24 H new ATOM 798 N ALA A 52 0.212 -5.647 -2.793 1.00 41.12 N ATOM 799 CA ALA A 52 -0.153 -6.016 -1.418 1.00 2.00 C ATOM 800 C ALA A 52 -0.113 -4.812 -0.466 1.00 74.42 C ATOM 801 O ALA A 52 0.760 -3.954 -0.572 1.00 40.35 O ATOM 802 CB ALA A 52 0.772 -7.119 -0.915 1.00 12.04 C ATOM 0 H ALA A 52 1.213 -5.517 -2.941 1.00 41.12 H new ATOM 0 HA ALA A 52 -1.180 -6.380 -1.435 1.00 2.00 H new ATOM 0 HB1 ALA A 52 0.496 -7.388 0.105 1.00 12.04 H new ATOM 0 HB2 ALA A 52 0.679 -7.994 -1.559 1.00 12.04 H new ATOM 0 HB3 ALA A 52 1.803 -6.765 -0.931 1.00 12.04 H new ATOM 808 N VAL A 53 -1.066 -4.759 0.465 1.00 25.03 N ATOM 809 CA VAL A 53 -1.145 -3.671 1.449 1.00 32.31 C ATOM 810 C VAL A 53 -1.034 -4.213 2.885 1.00 71.22 C ATOM 811 O VAL A 53 -1.806 -5.077 3.288 1.00 20.33 O ATOM 812 CB VAL A 53 -2.470 -2.877 1.305 1.00 33.31 C ATOM 813 CG1 VAL A 53 -2.525 -1.720 2.303 1.00 43.14 C ATOM 814 CG2 VAL A 53 -2.643 -2.367 -0.126 1.00 61.50 C ATOM 0 H VAL A 53 -1.800 -5.461 0.561 1.00 25.03 H new ATOM 0 HA VAL A 53 -0.307 -3.002 1.253 1.00 32.31 H new ATOM 0 HB VAL A 53 -3.295 -3.554 1.528 1.00 33.31 H new ATOM 0 HG11 VAL A 53 -3.464 -1.179 2.182 1.00 43.14 H new ATOM 0 HG12 VAL A 53 -2.461 -2.112 3.318 1.00 43.14 H new ATOM 0 HG13 VAL A 53 -1.690 -1.043 2.122 1.00 43.14 H new ATOM 0 HG21 VAL A 53 -3.579 -1.813 -0.204 1.00 61.50 H new ATOM 0 HG22 VAL A 53 -1.811 -1.711 -0.382 1.00 61.50 H new ATOM 0 HG23 VAL A 53 -2.663 -3.212 -0.814 1.00 61.50 H new ATOM 824 N VAL A 54 -0.066 -3.704 3.648 1.00 3.44 N ATOM 825 CA VAL A 54 0.156 -4.141 5.039 1.00 4.01 C ATOM 826 C VAL A 54 0.049 -2.960 6.023 1.00 14.34 C ATOM 827 O VAL A 54 0.584 -1.882 5.768 1.00 25.30 O ATOM 828 CB VAL A 54 1.551 -4.804 5.199 1.00 72.42 C ATOM 829 CG1 VAL A 54 1.759 -5.315 6.627 1.00 63.12 C ATOM 830 CG2 VAL A 54 1.739 -5.931 4.183 1.00 64.05 C ATOM 0 H VAL A 54 0.583 -2.985 3.330 1.00 3.44 H new ATOM 0 HA VAL A 54 -0.621 -4.869 5.270 1.00 4.01 H new ATOM 0 HB VAL A 54 2.307 -4.043 5.004 1.00 72.42 H new ATOM 0 HG11 VAL A 54 2.744 -5.774 6.709 1.00 63.12 H new ATOM 0 HG12 VAL A 54 1.688 -4.481 7.326 1.00 63.12 H new ATOM 0 HG13 VAL A 54 0.993 -6.054 6.864 1.00 63.12 H new ATOM 0 HG21 VAL A 54 2.724 -6.380 4.315 1.00 64.05 H new ATOM 0 HG22 VAL A 54 0.971 -6.690 4.335 1.00 64.05 H new ATOM 0 HG23 VAL A 54 1.656 -5.528 3.173 1.00 64.05 H new ATOM 840 N THR A 55 -0.641 -3.169 7.147 1.00 52.52 N ATOM 841 CA THR A 55 -0.794 -2.125 8.180 1.00 1.43 C ATOM 842 C THR A 55 -0.222 -2.584 9.532 1.00 45.05 C ATOM 843 O THR A 55 -0.632 -3.609 10.077 1.00 61.22 O ATOM 844 CB THR A 55 -2.279 -1.730 8.390 1.00 50.12 C ATOM 845 OG1 THR A 55 -3.000 -2.809 9.004 1.00 43.33 O ATOM 846 CG2 THR A 55 -2.946 -1.364 7.068 1.00 72.11 C ATOM 0 H THR A 55 -1.105 -4.049 7.371 1.00 52.52 H new ATOM 0 HA THR A 55 -0.239 -1.260 7.817 1.00 1.43 H new ATOM 0 HB THR A 55 -2.299 -0.858 9.044 1.00 50.12 H new ATOM 0 HG1 THR A 55 -3.957 -2.596 9.019 1.00 43.33 H new ATOM 0 HG21 THR A 55 -3.986 -1.092 7.248 1.00 72.11 H new ATOM 0 HG22 THR A 55 -2.423 -0.520 6.618 1.00 72.11 H new ATOM 0 HG23 THR A 55 -2.906 -2.218 6.392 1.00 72.11 H new ATOM 854 N LEU A 56 0.713 -1.813 10.084 1.00 3.02 N ATOM 855 CA LEU A 56 1.348 -2.161 11.365 1.00 62.22 C ATOM 856 C LEU A 56 1.205 -1.032 12.398 1.00 4.12 C ATOM 857 O LEU A 56 1.233 0.151 12.046 1.00 62.03 O ATOM 858 CB LEU A 56 2.837 -2.456 11.157 1.00 51.21 C ATOM 859 CG LEU A 56 3.165 -3.574 10.160 1.00 71.42 C ATOM 860 CD1 LEU A 56 4.669 -3.666 9.949 1.00 14.45 C ATOM 861 CD2 LEU A 56 2.610 -4.914 10.637 1.00 32.03 C ATOM 0 H LEU A 56 1.051 -0.944 9.670 1.00 3.02 H new ATOM 0 HA LEU A 56 0.839 -3.047 11.745 1.00 62.22 H new ATOM 0 HB2 LEU A 56 3.325 -1.541 10.821 1.00 51.21 H new ATOM 0 HB3 LEU A 56 3.274 -2.715 12.121 1.00 51.21 H new ATOM 0 HG LEU A 56 2.690 -3.333 9.209 1.00 71.42 H new ATOM 0 HD11 LEU A 56 4.889 -4.463 9.239 1.00 14.45 H new ATOM 0 HD12 LEU A 56 5.040 -2.719 9.557 1.00 14.45 H new ATOM 0 HD13 LEU A 56 5.157 -3.882 10.899 1.00 14.45 H new ATOM 0 HD21 LEU A 56 2.857 -5.689 9.911 1.00 32.03 H new ATOM 0 HD22 LEU A 56 3.049 -5.167 11.602 1.00 32.03 H new ATOM 0 HD23 LEU A 56 1.527 -4.844 10.739 1.00 32.03 H new ATOM 873 N PRO A 57 1.056 -1.383 13.694 1.00 21.31 N ATOM 874 CA PRO A 57 1.013 -0.395 14.788 1.00 33.50 C ATOM 875 C PRO A 57 2.328 0.395 14.922 1.00 2.02 C ATOM 876 O PRO A 57 2.334 1.624 14.867 1.00 41.22 O ATOM 877 CB PRO A 57 0.764 -1.250 16.045 1.00 72.45 C ATOM 878 CG PRO A 57 0.238 -2.551 15.534 1.00 33.33 C ATOM 879 CD PRO A 57 0.891 -2.758 14.196 1.00 41.43 C ATOM 0 HA PRO A 57 0.247 0.361 14.617 1.00 33.50 H new ATOM 0 HB2 PRO A 57 1.683 -1.392 16.613 1.00 72.45 H new ATOM 0 HB3 PRO A 57 0.048 -0.770 16.712 1.00 72.45 H new ATOM 0 HG2 PRO A 57 0.479 -3.366 16.217 1.00 33.33 H new ATOM 0 HG3 PRO A 57 -0.848 -2.524 15.440 1.00 33.33 H new ATOM 0 HD2 PRO A 57 1.848 -3.272 14.289 1.00 41.43 H new ATOM 0 HD3 PRO A 57 0.270 -3.359 13.532 1.00 41.43 H new ATOM 887 N SER A 58 3.444 -0.319 15.091 1.00 54.02 N ATOM 888 CA SER A 58 4.762 0.321 15.249 1.00 1.22 C ATOM 889 C SER A 58 5.889 -0.579 14.720 1.00 15.20 C ATOM 890 O SER A 58 5.795 -1.803 14.777 1.00 73.22 O ATOM 891 CB SER A 58 5.026 0.658 16.726 1.00 2.05 C ATOM 892 OG SER A 58 4.013 1.504 17.260 1.00 34.53 O ATOM 0 H SER A 58 3.466 -1.338 15.123 1.00 54.02 H new ATOM 0 HA SER A 58 4.749 1.241 14.665 1.00 1.22 H new ATOM 0 HB2 SER A 58 5.075 -0.263 17.307 1.00 2.05 H new ATOM 0 HB3 SER A 58 5.996 1.146 16.821 1.00 2.05 H new ATOM 0 HG SER A 58 4.210 1.697 18.200 1.00 34.53 H new ATOM 898 N ILE A 59 6.957 0.036 14.205 1.00 74.25 N ATOM 899 CA ILE A 59 8.120 -0.718 13.702 1.00 31.33 C ATOM 900 C ILE A 59 9.404 -0.382 14.489 1.00 40.31 C ATOM 901 O ILE A 59 10.450 -1.006 14.293 1.00 13.13 O ATOM 902 CB ILE A 59 8.346 -0.475 12.185 1.00 44.54 C ATOM 903 CG1 ILE A 59 8.529 1.025 11.888 1.00 43.52 C ATOM 904 CG2 ILE A 59 7.182 -1.054 11.376 1.00 50.41 C ATOM 905 CD1 ILE A 59 8.733 1.338 10.416 1.00 50.11 C ATOM 0 H ILE A 59 7.045 1.049 14.123 1.00 74.25 H new ATOM 0 HA ILE A 59 7.895 -1.774 13.852 1.00 31.33 H new ATOM 0 HB ILE A 59 9.262 -0.986 11.887 1.00 44.54 H new ATOM 0 HG12 ILE A 59 7.654 1.566 12.247 1.00 43.52 H new ATOM 0 HG13 ILE A 59 9.386 1.395 12.451 1.00 43.52 H new ATOM 0 HG21 ILE A 59 7.353 -0.877 10.314 1.00 50.41 H new ATOM 0 HG22 ILE A 59 7.110 -2.126 11.558 1.00 50.41 H new ATOM 0 HG23 ILE A 59 6.253 -0.572 11.679 1.00 50.41 H new ATOM 0 HD11 ILE A 59 8.854 2.413 10.286 1.00 50.11 H new ATOM 0 HD12 ILE A 59 9.625 0.826 10.055 1.00 50.11 H new ATOM 0 HD13 ILE A 59 7.866 1.000 9.849 1.00 50.11 H new ATOM 917 N GLY A 60 9.314 0.605 15.380 1.00 1.31 N ATOM 918 CA GLY A 60 10.431 0.945 16.260 1.00 22.32 C ATOM 919 C GLY A 60 11.651 1.490 15.525 1.00 44.23 C ATOM 920 O GLY A 60 11.595 2.557 14.909 1.00 62.02 O ATOM 0 H GLY A 60 8.483 1.181 15.511 1.00 1.31 H new ATOM 0 HA2 GLY A 60 10.096 1.685 16.987 1.00 22.32 H new ATOM 0 HA3 GLY A 60 10.723 0.057 16.820 1.00 22.32 H new ATOM 924 N ASP A 61 12.760 0.757 15.597 1.00 55.14 N ATOM 925 CA ASP A 61 14.010 1.157 14.944 1.00 71.40 C ATOM 926 C ASP A 61 14.045 0.727 13.467 1.00 44.24 C ATOM 927 O ASP A 61 14.901 1.176 12.700 1.00 2.24 O ATOM 928 CB ASP A 61 15.200 0.553 15.693 1.00 33.11 C ATOM 929 CG ASP A 61 15.247 1.005 17.140 1.00 15.05 C ATOM 930 OD1 ASP A 61 14.618 0.347 17.996 1.00 73.23 O ATOM 931 OD2 ASP A 61 15.907 2.026 17.426 1.00 71.53 O ATOM 0 H ASP A 61 12.821 -0.125 16.105 1.00 55.14 H new ATOM 0 HA ASP A 61 14.070 2.245 14.973 1.00 71.40 H new ATOM 0 HB2 ASP A 61 15.139 -0.535 15.654 1.00 33.11 H new ATOM 0 HB3 ASP A 61 16.126 0.838 15.193 1.00 33.11 H new ATOM 936 N ALA A 62 13.118 -0.144 13.078 1.00 22.22 N ATOM 937 CA ALA A 62 13.037 -0.623 11.698 1.00 24.55 C ATOM 938 C ALA A 62 12.672 0.516 10.731 1.00 64.12 C ATOM 939 O ALA A 62 11.674 1.210 10.927 1.00 34.23 O ATOM 940 CB ALA A 62 12.023 -1.757 11.587 1.00 41.13 C ATOM 0 H ALA A 62 12.410 -0.534 13.700 1.00 22.22 H new ATOM 0 HA ALA A 62 14.020 -1.000 11.417 1.00 24.55 H new ATOM 0 HB1 ALA A 62 11.975 -2.102 10.554 1.00 41.13 H new ATOM 0 HB2 ALA A 62 12.328 -2.582 12.231 1.00 41.13 H new ATOM 0 HB3 ALA A 62 11.041 -1.399 11.896 1.00 41.13 H new ATOM 946 N PRO A 63 13.493 0.743 9.692 1.00 32.50 N ATOM 947 CA PRO A 63 13.200 1.749 8.661 1.00 45.42 C ATOM 948 C PRO A 63 12.193 1.244 7.610 1.00 73.13 C ATOM 949 O PRO A 63 12.347 0.152 7.062 1.00 12.00 O ATOM 950 CB PRO A 63 14.571 2.003 8.032 1.00 0.23 C ATOM 951 CG PRO A 63 15.316 0.717 8.202 1.00 33.41 C ATOM 952 CD PRO A 63 14.781 0.062 9.453 1.00 22.25 C ATOM 0 HA PRO A 63 12.733 2.643 9.075 1.00 45.42 H new ATOM 0 HB2 PRO A 63 14.479 2.270 6.979 1.00 0.23 H new ATOM 0 HB3 PRO A 63 15.086 2.827 8.526 1.00 0.23 H new ATOM 0 HG2 PRO A 63 15.173 0.070 7.336 1.00 33.41 H new ATOM 0 HG3 PRO A 63 16.387 0.900 8.290 1.00 33.41 H new ATOM 0 HD2 PRO A 63 14.645 -1.011 9.315 1.00 22.25 H new ATOM 0 HD3 PRO A 63 15.463 0.191 10.294 1.00 22.25 H new ATOM 960 N LEU A 64 11.177 2.058 7.322 1.00 64.02 N ATOM 961 CA LEU A 64 10.093 1.671 6.406 1.00 21.33 C ATOM 962 C LEU A 64 10.609 1.328 4.998 1.00 11.03 C ATOM 963 O LEU A 64 10.168 0.354 4.386 1.00 64.34 O ATOM 964 CB LEU A 64 9.052 2.798 6.323 1.00 64.21 C ATOM 965 CG LEU A 64 7.872 2.541 5.367 1.00 34.45 C ATOM 966 CD1 LEU A 64 7.091 1.295 5.779 1.00 24.34 C ATOM 967 CD2 LEU A 64 6.953 3.759 5.303 1.00 23.43 C ATOM 0 H LEU A 64 11.078 2.996 7.710 1.00 64.02 H new ATOM 0 HA LEU A 64 9.633 0.769 6.810 1.00 21.33 H new ATOM 0 HB2 LEU A 64 8.655 2.977 7.322 1.00 64.21 H new ATOM 0 HB3 LEU A 64 9.556 3.713 6.012 1.00 64.21 H new ATOM 0 HG LEU A 64 8.279 2.367 4.371 1.00 34.45 H new ATOM 0 HD11 LEU A 64 6.264 1.138 5.086 1.00 24.34 H new ATOM 0 HD12 LEU A 64 7.751 0.428 5.758 1.00 24.34 H new ATOM 0 HD13 LEU A 64 6.699 1.428 6.787 1.00 24.34 H new ATOM 0 HD21 LEU A 64 6.126 3.556 4.622 1.00 23.43 H new ATOM 0 HD22 LEU A 64 6.560 3.971 6.297 1.00 23.43 H new ATOM 0 HD23 LEU A 64 7.516 4.621 4.944 1.00 23.43 H new ATOM 979 N GLU A 65 11.543 2.127 4.493 1.00 21.42 N ATOM 980 CA GLU A 65 12.086 1.936 3.140 1.00 44.20 C ATOM 981 C GLU A 65 12.749 0.559 2.989 1.00 54.45 C ATOM 982 O GLU A 65 12.560 -0.130 1.986 1.00 30.00 O ATOM 983 CB GLU A 65 13.098 3.045 2.802 1.00 22.21 C ATOM 984 CG GLU A 65 12.507 4.458 2.763 1.00 44.45 C ATOM 985 CD GLU A 65 11.980 4.930 4.111 1.00 52.33 C ATOM 986 OE1 GLU A 65 12.777 4.998 5.072 1.00 24.34 O ATOM 987 OE2 GLU A 65 10.772 5.235 4.218 1.00 54.21 O ATOM 0 H GLU A 65 11.945 2.917 4.997 1.00 21.42 H new ATOM 0 HA GLU A 65 11.251 1.989 2.442 1.00 44.20 H new ATOM 0 HB2 GLU A 65 13.902 3.022 3.538 1.00 22.21 H new ATOM 0 HB3 GLU A 65 13.547 2.826 1.833 1.00 22.21 H new ATOM 0 HG2 GLU A 65 13.271 5.154 2.416 1.00 44.45 H new ATOM 0 HG3 GLU A 65 11.697 4.485 2.035 1.00 44.45 H new ATOM 994 N ASP A 66 13.536 0.170 3.986 1.00 54.34 N ATOM 995 CA ASP A 66 14.165 -1.152 3.998 1.00 63.31 C ATOM 996 C ASP A 66 13.135 -2.244 4.331 1.00 75.35 C ATOM 997 O ASP A 66 13.220 -3.368 3.834 1.00 4.34 O ATOM 998 CB ASP A 66 15.310 -1.173 5.013 1.00 32.14 C ATOM 999 CG ASP A 66 16.356 -0.117 4.709 1.00 44.35 C ATOM 1000 OD1 ASP A 66 16.160 1.053 5.106 1.00 11.53 O ATOM 1001 OD2 ASP A 66 17.374 -0.444 4.062 1.00 23.44 O ATOM 0 H ASP A 66 13.755 0.748 4.797 1.00 54.34 H new ATOM 0 HA ASP A 66 14.565 -1.356 3.005 1.00 63.31 H new ATOM 0 HB2 ASP A 66 14.911 -1.010 6.014 1.00 32.14 H new ATOM 0 HB3 ASP A 66 15.778 -2.158 5.012 1.00 32.14 H new ATOM 1006 N PHE A 67 12.157 -1.898 5.170 1.00 40.31 N ATOM 1007 CA PHE A 67 11.083 -2.822 5.547 1.00 30.24 C ATOM 1008 C PHE A 67 10.335 -3.347 4.310 1.00 41.21 C ATOM 1009 O PHE A 67 10.223 -4.560 4.110 1.00 63.23 O ATOM 1010 CB PHE A 67 10.097 -2.120 6.495 1.00 22.22 C ATOM 1011 CG PHE A 67 8.984 -3.012 6.988 1.00 42.05 C ATOM 1012 CD1 PHE A 67 7.865 -3.258 6.201 1.00 74.31 C ATOM 1013 CD2 PHE A 67 9.060 -3.609 8.236 1.00 54.01 C ATOM 1014 CE1 PHE A 67 6.855 -4.082 6.648 1.00 11.23 C ATOM 1015 CE2 PHE A 67 8.049 -4.431 8.687 1.00 2.24 C ATOM 1016 CZ PHE A 67 6.948 -4.668 7.892 1.00 71.15 C ATOM 0 H PHE A 67 12.086 -0.978 5.605 1.00 40.31 H new ATOM 0 HA PHE A 67 11.535 -3.674 6.055 1.00 30.24 H new ATOM 0 HB2 PHE A 67 10.646 -1.733 7.353 1.00 22.22 H new ATOM 0 HB3 PHE A 67 9.662 -1.263 5.981 1.00 22.22 H new ATOM 0 HD1 PHE A 67 7.786 -2.798 5.227 1.00 74.31 H new ATOM 0 HD2 PHE A 67 9.921 -3.428 8.863 1.00 54.01 H new ATOM 0 HE1 PHE A 67 5.993 -4.268 6.025 1.00 11.23 H new ATOM 0 HE2 PHE A 67 8.120 -4.889 9.663 1.00 2.24 H new ATOM 0 HZ PHE A 67 6.157 -5.314 8.244 1.00 71.15 H new ATOM 1026 N THR A 68 9.825 -2.425 3.493 1.00 52.52 N ATOM 1027 CA THR A 68 9.069 -2.779 2.282 1.00 74.34 C ATOM 1028 C THR A 68 9.869 -3.714 1.369 1.00 24.22 C ATOM 1029 O THR A 68 9.350 -4.723 0.888 1.00 5.14 O ATOM 1030 CB THR A 68 8.662 -1.523 1.474 1.00 11.42 C ATOM 1031 OG1 THR A 68 9.823 -0.749 1.142 1.00 23.31 O ATOM 1032 CG2 THR A 68 7.682 -0.659 2.262 1.00 73.33 C ATOM 0 H THR A 68 9.920 -1.421 3.646 1.00 52.52 H new ATOM 0 HA THR A 68 8.171 -3.293 2.624 1.00 74.34 H new ATOM 0 HB THR A 68 8.174 -1.857 0.558 1.00 11.42 H new ATOM 0 HG1 THR A 68 10.000 -0.820 0.181 1.00 23.31 H new ATOM 0 HG21 THR A 68 7.413 0.217 1.671 1.00 73.33 H new ATOM 0 HG22 THR A 68 6.785 -1.237 2.484 1.00 73.33 H new ATOM 0 HG23 THR A 68 8.147 -0.339 3.194 1.00 73.33 H new ATOM 1040 N LEU A 69 11.138 -3.381 1.148 1.00 2.33 N ATOM 1041 CA LEU A 69 12.026 -4.210 0.328 1.00 51.53 C ATOM 1042 C LEU A 69 12.157 -5.632 0.906 1.00 13.12 C ATOM 1043 O LEU A 69 11.897 -6.620 0.218 1.00 33.50 O ATOM 1044 CB LEU A 69 13.412 -3.551 0.230 1.00 75.40 C ATOM 1045 CG LEU A 69 14.429 -4.278 -0.667 1.00 32.13 C ATOM 1046 CD1 LEU A 69 13.942 -4.329 -2.112 1.00 70.04 C ATOM 1047 CD2 LEU A 69 15.800 -3.606 -0.582 1.00 43.32 C ATOM 0 H LEU A 69 11.578 -2.542 1.525 1.00 2.33 H new ATOM 0 HA LEU A 69 11.591 -4.291 -0.668 1.00 51.53 H new ATOM 0 HB2 LEU A 69 13.286 -2.535 -0.143 1.00 75.40 H new ATOM 0 HB3 LEU A 69 13.830 -3.473 1.234 1.00 75.40 H new ATOM 0 HG LEU A 69 14.526 -5.302 -0.307 1.00 32.13 H new ATOM 0 HD11 LEU A 69 14.678 -4.848 -2.726 1.00 70.04 H new ATOM 0 HD12 LEU A 69 12.992 -4.861 -2.157 1.00 70.04 H new ATOM 0 HD13 LEU A 69 13.807 -3.314 -2.487 1.00 70.04 H new ATOM 0 HD21 LEU A 69 16.505 -4.135 -1.223 1.00 43.32 H new ATOM 0 HD22 LEU A 69 15.718 -2.570 -0.910 1.00 43.32 H new ATOM 0 HD23 LEU A 69 16.155 -3.634 0.448 1.00 43.32 H new ATOM 1059 N LYS A 70 12.542 -5.725 2.181 1.00 55.14 N ATOM 1060 CA LYS A 70 12.750 -7.023 2.846 1.00 3.53 C ATOM 1061 C LYS A 70 11.474 -7.890 2.839 1.00 64.40 C ATOM 1062 O LYS A 70 11.530 -9.087 2.552 1.00 10.23 O ATOM 1063 CB LYS A 70 13.237 -6.808 4.290 1.00 1.12 C ATOM 1064 CG LYS A 70 14.588 -6.101 4.377 1.00 72.15 C ATOM 1065 CD LYS A 70 14.984 -5.792 5.822 1.00 62.50 C ATOM 1066 CE LYS A 70 15.160 -7.056 6.656 1.00 51.23 C ATOM 1067 NZ LYS A 70 15.562 -6.746 8.053 1.00 35.12 N ATOM 0 H LYS A 70 12.718 -4.917 2.779 1.00 55.14 H new ATOM 0 HA LYS A 70 13.513 -7.560 2.282 1.00 3.53 H new ATOM 0 HB2 LYS A 70 12.494 -6.223 4.833 1.00 1.12 H new ATOM 0 HB3 LYS A 70 13.309 -7.774 4.789 1.00 1.12 H new ATOM 0 HG2 LYS A 70 15.354 -6.726 3.917 1.00 72.15 H new ATOM 0 HG3 LYS A 70 14.549 -5.173 3.806 1.00 72.15 H new ATOM 0 HD2 LYS A 70 15.914 -5.223 5.828 1.00 62.50 H new ATOM 0 HD3 LYS A 70 14.221 -5.161 6.279 1.00 62.50 H new ATOM 0 HE2 LYS A 70 14.227 -7.619 6.663 1.00 51.23 H new ATOM 0 HE3 LYS A 70 15.914 -7.694 6.194 1.00 51.23 H new ATOM 0 HZ1 LYS A 70 15.671 -7.631 8.587 1.00 35.12 H new ATOM 0 HZ2 LYS A 70 16.465 -6.231 8.048 1.00 35.12 H new ATOM 0 HZ3 LYS A 70 14.831 -6.159 8.502 1.00 35.12 H new ATOM 1081 N LEU A 71 10.330 -7.278 3.143 1.00 63.22 N ATOM 1082 CA LEU A 71 9.045 -7.992 3.142 1.00 1.12 C ATOM 1083 C LEU A 71 8.710 -8.520 1.734 1.00 74.35 C ATOM 1084 O LEU A 71 8.310 -9.673 1.564 1.00 42.25 O ATOM 1085 CB LEU A 71 7.922 -7.070 3.651 1.00 42.21 C ATOM 1086 CG LEU A 71 6.529 -7.721 3.775 1.00 54.53 C ATOM 1087 CD1 LEU A 71 6.546 -8.872 4.779 1.00 24.34 C ATOM 1088 CD2 LEU A 71 5.482 -6.680 4.168 1.00 10.01 C ATOM 0 H LEU A 71 10.262 -6.291 3.393 1.00 63.22 H new ATOM 0 HA LEU A 71 9.129 -8.847 3.813 1.00 1.12 H new ATOM 0 HB2 LEU A 71 8.210 -6.682 4.628 1.00 42.21 H new ATOM 0 HB3 LEU A 71 7.845 -6.216 2.979 1.00 42.21 H new ATOM 0 HG LEU A 71 6.262 -8.130 2.801 1.00 54.53 H new ATOM 0 HD11 LEU A 71 5.551 -9.312 4.845 1.00 24.34 H new ATOM 0 HD12 LEU A 71 7.257 -9.631 4.451 1.00 24.34 H new ATOM 0 HD13 LEU A 71 6.843 -8.496 5.758 1.00 24.34 H new ATOM 0 HD21 LEU A 71 4.506 -7.159 4.250 1.00 10.01 H new ATOM 0 HD22 LEU A 71 5.751 -6.237 5.127 1.00 10.01 H new ATOM 0 HD23 LEU A 71 5.441 -5.900 3.407 1.00 10.01 H new ATOM 1100 N ALA A 72 8.893 -7.671 0.724 1.00 22.10 N ATOM 1101 CA ALA A 72 8.659 -8.066 -0.669 1.00 40.33 C ATOM 1102 C ALA A 72 9.608 -9.199 -1.110 1.00 13.43 C ATOM 1103 O ALA A 72 9.224 -10.084 -1.881 1.00 10.41 O ATOM 1104 CB ALA A 72 8.808 -6.853 -1.584 1.00 42.02 C ATOM 0 H ALA A 72 9.202 -6.706 0.841 1.00 22.10 H new ATOM 0 HA ALA A 72 7.642 -8.450 -0.744 1.00 40.33 H new ATOM 0 HB1 ALA A 72 8.633 -7.153 -2.617 1.00 42.02 H new ATOM 0 HB2 ALA A 72 8.082 -6.091 -1.299 1.00 42.02 H new ATOM 0 HB3 ALA A 72 9.815 -6.448 -1.490 1.00 42.02 H new ATOM 1110 N ARG A 73 10.848 -9.164 -0.616 1.00 53.25 N ATOM 1111 CA ARG A 73 11.849 -10.194 -0.936 1.00 15.42 C ATOM 1112 C ARG A 73 11.403 -11.586 -0.455 1.00 43.05 C ATOM 1113 O ARG A 73 11.356 -12.539 -1.238 1.00 43.01 O ATOM 1114 CB ARG A 73 13.209 -9.831 -0.312 1.00 30.43 C ATOM 1115 CG ARG A 73 13.843 -8.569 -0.897 1.00 0.41 C ATOM 1116 CD ARG A 73 15.111 -8.161 -0.149 1.00 23.12 C ATOM 1117 NE ARG A 73 16.167 -9.166 -0.260 1.00 11.34 N ATOM 1118 CZ ARG A 73 17.375 -9.026 0.223 1.00 33.42 C ATOM 1119 NH1 ARG A 73 17.720 -7.948 0.855 1.00 21.04 N ATOM 1120 NH2 ARG A 73 18.242 -9.974 0.067 1.00 24.44 N ATOM 0 H ARG A 73 11.187 -8.433 0.009 1.00 53.25 H new ATOM 0 HA ARG A 73 11.950 -10.230 -2.021 1.00 15.42 H new ATOM 0 HB2 ARG A 73 13.080 -9.697 0.762 1.00 30.43 H new ATOM 0 HB3 ARG A 73 13.895 -10.667 -0.449 1.00 30.43 H new ATOM 0 HG2 ARG A 73 14.081 -8.737 -1.947 1.00 0.41 H new ATOM 0 HG3 ARG A 73 13.123 -7.752 -0.860 1.00 0.41 H new ATOM 0 HD2 ARG A 73 15.473 -7.211 -0.543 1.00 23.12 H new ATOM 0 HD3 ARG A 73 14.874 -8.000 0.903 1.00 23.12 H new ATOM 0 HE ARG A 73 15.947 -10.035 -0.747 1.00 11.34 H new ATOM 0 HH11 ARG A 73 17.046 -7.193 0.982 1.00 21.04 H new ATOM 0 HH12 ARG A 73 18.666 -7.855 1.225 1.00 21.04 H new ATOM 0 HH21 ARG A 73 17.982 -10.826 -0.431 1.00 24.44 H new ATOM 0 HH22 ARG A 73 19.185 -9.869 0.442 1.00 24.44 H new ATOM 1134 N GLN A 74 11.066 -11.700 0.831 1.00 50.31 N ATOM 1135 CA GLN A 74 10.632 -12.983 1.403 1.00 3.13 C ATOM 1136 C GLN A 74 9.303 -13.469 0.789 1.00 74.21 C ATOM 1137 O GLN A 74 9.093 -14.670 0.626 1.00 64.32 O ATOM 1138 CB GLN A 74 10.511 -12.888 2.932 1.00 14.11 C ATOM 1139 CG GLN A 74 9.578 -11.787 3.420 1.00 1.44 C ATOM 1140 CD GLN A 74 9.372 -11.812 4.924 1.00 74.22 C ATOM 1141 OE1 GLN A 74 10.225 -11.122 5.651 1.00 43.51 O flip ATOM 1142 NE2 GLN A 74 8.460 -12.459 5.428 1.00 11.35 N flip ATOM 0 H GLN A 74 11.084 -10.926 1.496 1.00 50.31 H new ATOM 0 HA GLN A 74 11.398 -13.718 1.156 1.00 3.13 H new ATOM 0 HB2 GLN A 74 10.158 -13.845 3.317 1.00 14.11 H new ATOM 0 HB3 GLN A 74 11.502 -12.721 3.354 1.00 14.11 H new ATOM 0 HG2 GLN A 74 9.984 -10.818 3.130 1.00 1.44 H new ATOM 0 HG3 GLN A 74 8.613 -11.889 2.924 1.00 1.44 H new ATOM 0 HE21 GLN A 74 7.817 -12.982 4.834 1.00 11.35 H new ATOM 0 HE22 GLN A 74 8.345 -12.474 6.441 1.00 11.35 H new ATOM 1151 N TRP A 75 8.417 -12.535 0.443 1.00 30.10 N ATOM 1152 CA TRP A 75 7.139 -12.879 -0.204 1.00 24.33 C ATOM 1153 C TRP A 75 7.330 -13.281 -1.680 1.00 33.23 C ATOM 1154 O TRP A 75 6.376 -13.665 -2.361 1.00 52.53 O ATOM 1155 CB TRP A 75 6.153 -11.700 -0.105 1.00 4.21 C ATOM 1156 CG TRP A 75 5.598 -11.477 1.278 1.00 60.23 C ATOM 1157 CD1 TRP A 75 6.150 -11.877 2.463 1.00 4.15 C ATOM 1158 CD2 TRP A 75 4.382 -10.793 1.618 1.00 51.34 C ATOM 1159 NE1 TRP A 75 5.346 -11.502 3.511 1.00 41.34 N ATOM 1160 CE2 TRP A 75 4.258 -10.832 3.019 1.00 40.11 C ATOM 1161 CE3 TRP A 75 3.386 -10.159 0.872 1.00 23.24 C ATOM 1162 CZ2 TRP A 75 3.182 -10.255 3.690 1.00 31.15 C ATOM 1163 CZ3 TRP A 75 2.317 -9.585 1.539 1.00 74.15 C ATOM 1164 CH2 TRP A 75 2.221 -9.640 2.934 1.00 34.32 C ATOM 0 H TRP A 75 8.555 -11.536 0.597 1.00 30.10 H new ATOM 0 HA TRP A 75 6.730 -13.740 0.325 1.00 24.33 H new ATOM 0 HB2 TRP A 75 6.656 -10.791 -0.434 1.00 4.21 H new ATOM 0 HB3 TRP A 75 5.326 -11.873 -0.793 1.00 4.21 H new ATOM 0 HD1 TRP A 75 7.084 -12.411 2.561 1.00 4.15 H new ATOM 0 HE1 TRP A 75 5.530 -11.692 4.496 1.00 41.34 H new ATOM 0 HE3 TRP A 75 3.448 -10.117 -0.205 1.00 23.24 H new ATOM 0 HZ2 TRP A 75 3.109 -10.292 4.767 1.00 31.15 H new ATOM 0 HZ3 TRP A 75 1.544 -9.086 0.973 1.00 74.15 H new ATOM 0 HH2 TRP A 75 1.371 -9.188 3.424 1.00 34.32 H new ATOM 1175 N GLY A 76 8.565 -13.174 -2.175 1.00 63.31 N ATOM 1176 CA GLY A 76 8.865 -13.551 -3.557 1.00 52.44 C ATOM 1177 C GLY A 76 8.442 -12.495 -4.581 1.00 35.52 C ATOM 1178 O GLY A 76 8.664 -12.657 -5.780 1.00 75.42 O ATOM 0 H GLY A 76 9.367 -12.833 -1.645 1.00 63.31 H new ATOM 0 HA2 GLY A 76 9.936 -13.730 -3.652 1.00 52.44 H new ATOM 0 HA3 GLY A 76 8.363 -14.491 -3.787 1.00 52.44 H new ATOM 1182 N VAL A 77 7.851 -11.405 -4.101 1.00 73.40 N ATOM 1183 CA VAL A 77 7.337 -10.336 -4.970 1.00 23.53 C ATOM 1184 C VAL A 77 8.290 -9.124 -4.975 1.00 15.44 C ATOM 1185 O VAL A 77 7.936 -8.034 -5.425 1.00 31.12 O ATOM 1186 CB VAL A 77 5.924 -9.893 -4.497 1.00 71.24 C ATOM 1187 CG1 VAL A 77 5.208 -9.074 -5.567 1.00 63.23 C ATOM 1188 CG2 VAL A 77 5.082 -11.101 -4.088 1.00 71.24 C ATOM 0 H VAL A 77 7.712 -11.232 -3.105 1.00 73.40 H new ATOM 0 HA VAL A 77 7.270 -10.728 -5.985 1.00 23.53 H new ATOM 0 HB VAL A 77 6.056 -9.255 -3.623 1.00 71.24 H new ATOM 0 HG11 VAL A 77 4.223 -8.781 -5.203 1.00 63.23 H new ATOM 0 HG12 VAL A 77 5.792 -8.182 -5.793 1.00 63.23 H new ATOM 0 HG13 VAL A 77 5.097 -9.674 -6.470 1.00 63.23 H new ATOM 0 HG21 VAL A 77 4.098 -10.765 -3.761 1.00 71.24 H new ATOM 0 HG22 VAL A 77 4.972 -11.773 -4.939 1.00 71.24 H new ATOM 0 HG23 VAL A 77 5.575 -11.628 -3.271 1.00 71.24 H new ATOM 1198 N GLY A 78 9.517 -9.323 -4.493 1.00 40.33 N ATOM 1199 CA GLY A 78 10.491 -8.236 -4.489 1.00 41.20 C ATOM 1200 C GLY A 78 11.942 -8.686 -4.348 1.00 71.32 C ATOM 1201 O GLY A 78 12.770 -7.934 -3.833 1.00 50.53 O ATOM 0 H GLY A 78 9.853 -10.206 -4.109 1.00 40.33 H new ATOM 0 HA2 GLY A 78 10.388 -7.670 -5.415 1.00 41.20 H new ATOM 0 HA3 GLY A 78 10.254 -7.556 -3.671 1.00 41.20 H new ATOM 1205 N ASN A 79 12.274 -9.897 -4.809 1.00 3.15 N ATOM 1206 CA ASN A 79 13.672 -10.350 -4.792 1.00 22.11 C ATOM 1207 C ASN A 79 14.510 -9.520 -5.771 1.00 73.45 C ATOM 1208 O ASN A 79 14.629 -9.862 -6.952 1.00 42.25 O ATOM 1209 CB ASN A 79 13.794 -11.846 -5.123 1.00 4.43 C ATOM 1210 CG ASN A 79 13.150 -12.730 -4.072 1.00 74.40 C ATOM 1211 OD1 ASN A 79 11.934 -13.161 -4.324 1.00 43.54 O flip ATOM 1212 ND2 ASN A 79 13.756 -13.045 -3.050 1.00 71.44 N flip ATOM 0 H ASN A 79 11.610 -10.570 -5.191 1.00 3.15 H new ATOM 0 HA ASN A 79 14.052 -10.206 -3.781 1.00 22.11 H new ATOM 0 HB2 ASN A 79 13.329 -12.040 -6.090 1.00 4.43 H new ATOM 0 HB3 ASN A 79 14.848 -12.109 -5.218 1.00 4.43 H new ATOM 0 HD21 ASN A 79 14.699 -12.692 -2.887 1.00 71.44 H new ATOM 0 HD22 ASN A 79 13.316 -13.660 -2.365 1.00 71.44 H new ATOM 1219 N GLU A 80 15.053 -8.411 -5.271 1.00 11.13 N ATOM 1220 CA GLU A 80 15.786 -7.447 -6.092 1.00 43.54 C ATOM 1221 C GLU A 80 14.900 -6.918 -7.239 1.00 13.23 C ATOM 1222 O GLU A 80 15.143 -7.192 -8.416 1.00 14.30 O ATOM 1223 CB GLU A 80 17.081 -8.065 -6.636 1.00 23.42 C ATOM 1224 CG GLU A 80 18.029 -7.051 -7.264 1.00 13.15 C ATOM 1225 CD GLU A 80 19.264 -7.700 -7.857 1.00 4.34 C ATOM 1226 OE1 GLU A 80 20.212 -7.994 -7.100 1.00 42.52 O ATOM 1227 OE2 GLU A 80 19.295 -7.918 -9.086 1.00 64.40 O ATOM 0 H GLU A 80 14.997 -8.155 -4.285 1.00 11.13 H new ATOM 0 HA GLU A 80 16.058 -6.601 -5.460 1.00 43.54 H new ATOM 0 HB2 GLU A 80 17.597 -8.577 -5.824 1.00 23.42 H new ATOM 0 HB3 GLU A 80 16.828 -8.821 -7.379 1.00 23.42 H new ATOM 0 HG2 GLU A 80 17.502 -6.500 -8.043 1.00 13.15 H new ATOM 0 HG3 GLU A 80 18.331 -6.325 -6.509 1.00 13.15 H new ATOM 1234 N LYS A 81 13.850 -6.183 -6.864 1.00 21.25 N ATOM 1235 CA LYS A 81 12.899 -5.592 -7.820 1.00 2.52 C ATOM 1236 C LYS A 81 12.197 -6.658 -8.690 1.00 61.13 C ATOM 1237 O LYS A 81 12.697 -7.044 -9.747 1.00 72.42 O ATOM 1238 CB LYS A 81 13.586 -4.545 -8.719 1.00 72.33 C ATOM 1239 CG LYS A 81 14.062 -3.284 -7.990 1.00 15.32 C ATOM 1240 CD LYS A 81 15.280 -3.537 -7.098 1.00 61.45 C ATOM 1241 CE LYS A 81 15.748 -2.259 -6.407 1.00 41.54 C ATOM 1242 NZ LYS A 81 16.959 -2.478 -5.571 1.00 10.24 N ATOM 0 H LYS A 81 13.632 -5.978 -5.889 1.00 21.25 H new ATOM 0 HA LYS A 81 12.133 -5.097 -7.223 1.00 2.52 H new ATOM 0 HB2 LYS A 81 14.443 -5.011 -9.206 1.00 72.33 H new ATOM 0 HB3 LYS A 81 12.892 -4.252 -9.507 1.00 72.33 H new ATOM 0 HG2 LYS A 81 14.308 -2.517 -8.724 1.00 15.32 H new ATOM 0 HG3 LYS A 81 13.247 -2.893 -7.381 1.00 15.32 H new ATOM 0 HD2 LYS A 81 15.032 -4.287 -6.347 1.00 61.45 H new ATOM 0 HD3 LYS A 81 16.093 -3.945 -7.699 1.00 61.45 H new ATOM 0 HE2 LYS A 81 15.961 -1.500 -7.159 1.00 41.54 H new ATOM 0 HE3 LYS A 81 14.943 -1.871 -5.782 1.00 41.54 H new ATOM 0 HZ1 LYS A 81 17.238 -1.582 -5.123 1.00 10.24 H new ATOM 0 HZ2 LYS A 81 16.750 -3.183 -4.835 1.00 10.24 H new ATOM 0 HZ3 LYS A 81 17.736 -2.822 -6.170 1.00 10.24 H new ATOM 1256 N ASN A 82 11.036 -7.129 -8.235 1.00 45.32 N ATOM 1257 CA ASN A 82 10.227 -8.090 -9.001 1.00 54.23 C ATOM 1258 C ASN A 82 9.341 -7.350 -10.011 1.00 75.51 C ATOM 1259 O ASN A 82 8.496 -6.545 -9.628 1.00 40.52 O ATOM 1260 CB ASN A 82 9.376 -8.935 -8.040 1.00 64.35 C ATOM 1261 CG ASN A 82 8.425 -9.913 -8.727 1.00 34.32 C ATOM 1262 OD1 ASN A 82 7.920 -9.664 -9.813 1.00 63.22 O ATOM 1263 ND2 ASN A 82 8.174 -11.042 -8.094 1.00 33.13 N ATOM 0 H ASN A 82 10.630 -6.863 -7.338 1.00 45.32 H new ATOM 0 HA ASN A 82 10.888 -8.756 -9.555 1.00 54.23 H new ATOM 0 HB2 ASN A 82 10.041 -9.496 -7.384 1.00 64.35 H new ATOM 0 HB3 ASN A 82 8.793 -8.266 -7.407 1.00 64.35 H new ATOM 0 HD21 ASN A 82 7.547 -11.731 -8.509 1.00 33.13 H new ATOM 0 HD22 ASN A 82 8.607 -11.227 -7.189 1.00 33.13 H new ATOM 1270 N ASN A 83 9.537 -7.644 -11.296 1.00 62.54 N ATOM 1271 CA ASN A 83 8.828 -6.970 -12.397 1.00 30.00 C ATOM 1272 C ASN A 83 7.353 -6.616 -12.073 1.00 51.31 C ATOM 1273 O ASN A 83 7.001 -5.439 -12.012 1.00 52.21 O ATOM 1274 CB ASN A 83 8.924 -7.812 -13.684 1.00 23.42 C ATOM 1275 CG ASN A 83 8.324 -9.210 -13.563 1.00 63.11 C ATOM 1276 OD1 ASN A 83 8.269 -9.756 -12.362 1.00 52.32 O flip ATOM 1277 ND2 ASN A 83 7.893 -9.795 -14.550 1.00 53.11 N flip ATOM 0 H ASN A 83 10.194 -8.359 -11.610 1.00 62.54 H new ATOM 0 HA ASN A 83 9.330 -6.014 -12.546 1.00 30.00 H new ATOM 0 HB2 ASN A 83 8.419 -7.281 -14.491 1.00 23.42 H new ATOM 0 HB3 ASN A 83 9.972 -7.902 -13.969 1.00 23.42 H new ATOM 0 HD21 ASN A 83 7.946 -9.354 -15.468 1.00 53.11 H new ATOM 0 HD22 ASN A 83 7.481 -10.723 -14.453 1.00 53.11 H new ATOM 1284 N ASN A 84 6.505 -7.616 -11.842 1.00 71.31 N ATOM 1285 CA ASN A 84 5.074 -7.368 -11.593 1.00 12.50 C ATOM 1286 C ASN A 84 4.760 -7.280 -10.085 1.00 32.35 C ATOM 1287 O ASN A 84 3.682 -7.687 -9.638 1.00 61.11 O ATOM 1288 CB ASN A 84 4.237 -8.474 -12.245 1.00 3.44 C ATOM 1289 CG ASN A 84 4.560 -9.848 -11.690 1.00 13.15 C ATOM 1290 OD1 ASN A 84 5.403 -10.564 -12.216 1.00 22.13 O ATOM 1291 ND2 ASN A 84 3.895 -10.224 -10.617 1.00 24.12 N ATOM 0 H ASN A 84 6.774 -8.600 -11.821 1.00 71.31 H new ATOM 0 HA ASN A 84 4.818 -6.405 -12.036 1.00 12.50 H new ATOM 0 HB2 ASN A 84 3.179 -8.263 -12.092 1.00 3.44 H new ATOM 0 HB3 ASN A 84 4.410 -8.470 -13.321 1.00 3.44 H new ATOM 0 HD21 ASN A 84 4.076 -11.137 -10.199 1.00 24.12 H new ATOM 0 HD22 ASN A 84 3.199 -9.603 -10.204 1.00 24.12 H new ATOM 1298 N GLY A 85 5.690 -6.725 -9.311 1.00 41.20 N ATOM 1299 CA GLY A 85 5.514 -6.637 -7.864 1.00 73.54 C ATOM 1300 C GLY A 85 5.318 -5.212 -7.349 1.00 72.44 C ATOM 1301 O GLY A 85 5.989 -4.281 -7.803 1.00 35.32 O ATOM 0 H GLY A 85 6.565 -6.333 -9.658 1.00 41.20 H new ATOM 0 HA2 GLY A 85 4.652 -7.239 -7.576 1.00 73.54 H new ATOM 0 HA3 GLY A 85 6.385 -7.073 -7.375 1.00 73.54 H new ATOM 1305 N LEU A 86 4.400 -5.047 -6.391 1.00 63.23 N ATOM 1306 CA LEU A 86 4.145 -3.743 -5.767 1.00 24.14 C ATOM 1307 C LEU A 86 3.672 -3.915 -4.312 1.00 72.30 C ATOM 1308 O LEU A 86 2.673 -4.586 -4.044 1.00 22.23 O ATOM 1309 CB LEU A 86 3.098 -2.964 -6.577 1.00 72.42 C ATOM 1310 CG LEU A 86 2.789 -1.542 -6.077 1.00 74.10 C ATOM 1311 CD1 LEU A 86 4.054 -0.689 -6.038 1.00 2.35 C ATOM 1312 CD2 LEU A 86 1.735 -0.888 -6.961 1.00 21.33 C ATOM 0 H LEU A 86 3.819 -5.803 -6.029 1.00 63.23 H new ATOM 0 HA LEU A 86 5.078 -3.179 -5.759 1.00 24.14 H new ATOM 0 HB2 LEU A 86 3.439 -2.900 -7.610 1.00 72.42 H new ATOM 0 HB3 LEU A 86 2.171 -3.537 -6.583 1.00 72.42 H new ATOM 0 HG LEU A 86 2.399 -1.616 -5.062 1.00 74.10 H new ATOM 0 HD11 LEU A 86 3.808 0.311 -5.681 1.00 2.35 H new ATOM 0 HD12 LEU A 86 4.780 -1.146 -5.365 1.00 2.35 H new ATOM 0 HD13 LEU A 86 4.479 -0.622 -7.040 1.00 2.35 H new ATOM 0 HD21 LEU A 86 1.526 0.117 -6.595 1.00 21.33 H new ATOM 0 HD22 LEU A 86 2.103 -0.832 -7.986 1.00 21.33 H new ATOM 0 HD23 LEU A 86 0.820 -1.480 -6.936 1.00 21.33 H new ATOM 1324 N LEU A 87 4.388 -3.306 -3.371 1.00 53.40 N ATOM 1325 CA LEU A 87 4.065 -3.450 -1.944 1.00 15.31 C ATOM 1326 C LEU A 87 3.812 -2.089 -1.272 1.00 23.44 C ATOM 1327 O LEU A 87 4.592 -1.154 -1.427 1.00 41.41 O ATOM 1328 CB LEU A 87 5.199 -4.194 -1.222 1.00 52.51 C ATOM 1329 CG LEU A 87 4.988 -4.420 0.286 1.00 50.40 C ATOM 1330 CD1 LEU A 87 3.754 -5.283 0.544 1.00 23.02 C ATOM 1331 CD2 LEU A 87 6.229 -5.050 0.911 1.00 44.20 C ATOM 0 H LEU A 87 5.193 -2.710 -3.563 1.00 53.40 H new ATOM 0 HA LEU A 87 3.144 -4.028 -1.870 1.00 15.31 H new ATOM 0 HB2 LEU A 87 5.337 -5.163 -1.701 1.00 52.51 H new ATOM 0 HB3 LEU A 87 6.124 -3.635 -1.362 1.00 52.51 H new ATOM 0 HG LEU A 87 4.821 -3.450 0.754 1.00 50.40 H new ATOM 0 HD11 LEU A 87 3.629 -5.427 1.617 1.00 23.02 H new ATOM 0 HD12 LEU A 87 2.872 -4.787 0.139 1.00 23.02 H new ATOM 0 HD13 LEU A 87 3.880 -6.252 0.060 1.00 23.02 H new ATOM 0 HD21 LEU A 87 6.062 -5.203 1.977 1.00 44.20 H new ATOM 0 HD22 LEU A 87 6.429 -6.009 0.434 1.00 44.20 H new ATOM 0 HD23 LEU A 87 7.084 -4.389 0.769 1.00 44.20 H new ATOM 1343 N LEU A 88 2.716 -1.999 -0.526 1.00 5.23 N ATOM 1344 CA LEU A 88 2.357 -0.780 0.208 1.00 35.44 C ATOM 1345 C LEU A 88 2.238 -1.062 1.713 1.00 61.55 C ATOM 1346 O LEU A 88 1.393 -1.845 2.141 1.00 2.43 O ATOM 1347 CB LEU A 88 1.030 -0.221 -0.326 1.00 33.45 C ATOM 1348 CG LEU A 88 0.448 0.970 0.456 1.00 2.34 C ATOM 1349 CD1 LEU A 88 1.391 2.170 0.415 1.00 72.25 C ATOM 1350 CD2 LEU A 88 -0.933 1.343 -0.085 1.00 64.42 C ATOM 0 H LEU A 88 2.050 -2.763 -0.410 1.00 5.23 H new ATOM 0 HA LEU A 88 3.146 -0.043 0.058 1.00 35.44 H new ATOM 0 HB2 LEU A 88 1.176 0.084 -1.362 1.00 33.45 H new ATOM 0 HB3 LEU A 88 0.293 -1.024 -0.331 1.00 33.45 H new ATOM 0 HG LEU A 88 0.339 0.670 1.498 1.00 2.34 H new ATOM 0 HD11 LEU A 88 0.953 2.996 0.976 1.00 72.25 H new ATOM 0 HD12 LEU A 88 2.348 1.896 0.860 1.00 72.25 H new ATOM 0 HD13 LEU A 88 1.546 2.476 -0.620 1.00 72.25 H new ATOM 0 HD21 LEU A 88 -1.329 2.187 0.480 1.00 64.42 H new ATOM 0 HD22 LEU A 88 -0.850 1.617 -1.137 1.00 64.42 H new ATOM 0 HD23 LEU A 88 -1.606 0.491 0.016 1.00 64.42 H new ATOM 1362 N VAL A 89 3.087 -0.424 2.514 1.00 31.25 N ATOM 1363 CA VAL A 89 3.058 -0.612 3.972 1.00 3.23 C ATOM 1364 C VAL A 89 2.745 0.699 4.712 1.00 73.35 C ATOM 1365 O VAL A 89 3.425 1.708 4.527 1.00 54.24 O ATOM 1366 CB VAL A 89 4.399 -1.187 4.500 1.00 44.42 C ATOM 1367 CG1 VAL A 89 4.352 -1.383 6.018 1.00 52.00 C ATOM 1368 CG2 VAL A 89 4.737 -2.500 3.797 1.00 64.22 C ATOM 0 H VAL A 89 3.802 0.225 2.186 1.00 31.25 H new ATOM 0 HA VAL A 89 2.260 -1.327 4.171 1.00 3.23 H new ATOM 0 HB VAL A 89 5.186 -0.466 4.277 1.00 44.42 H new ATOM 0 HG11 VAL A 89 5.304 -1.787 6.362 1.00 52.00 H new ATOM 0 HG12 VAL A 89 4.168 -0.424 6.503 1.00 52.00 H new ATOM 0 HG13 VAL A 89 3.551 -2.077 6.271 1.00 52.00 H new ATOM 0 HG21 VAL A 89 5.681 -2.886 4.182 1.00 64.22 H new ATOM 0 HG22 VAL A 89 3.945 -3.226 3.982 1.00 64.22 H new ATOM 0 HG23 VAL A 89 4.826 -2.326 2.725 1.00 64.22 H new ATOM 1378 N LEU A 90 1.706 0.667 5.545 1.00 53.24 N ATOM 1379 CA LEU A 90 1.332 1.808 6.391 1.00 62.43 C ATOM 1380 C LEU A 90 1.765 1.579 7.848 1.00 33.31 C ATOM 1381 O LEU A 90 1.316 0.632 8.503 1.00 4.11 O ATOM 1382 CB LEU A 90 -0.189 2.037 6.339 1.00 73.43 C ATOM 1383 CG LEU A 90 -0.748 3.011 7.395 1.00 52.24 C ATOM 1384 CD1 LEU A 90 -0.271 4.438 7.150 1.00 71.55 C ATOM 1385 CD2 LEU A 90 -2.273 2.947 7.441 1.00 74.01 C ATOM 0 H LEU A 90 1.099 -0.146 5.655 1.00 53.24 H new ATOM 0 HA LEU A 90 1.845 2.690 6.007 1.00 62.43 H new ATOM 0 HB2 LEU A 90 -0.449 2.413 5.349 1.00 73.43 H new ATOM 0 HB3 LEU A 90 -0.688 1.075 6.456 1.00 73.43 H new ATOM 0 HG LEU A 90 -0.363 2.699 8.366 1.00 52.24 H new ATOM 0 HD11 LEU A 90 -0.685 5.096 7.914 1.00 71.55 H new ATOM 0 HD12 LEU A 90 0.818 4.470 7.194 1.00 71.55 H new ATOM 0 HD13 LEU A 90 -0.604 4.769 6.166 1.00 71.55 H new ATOM 0 HD21 LEU A 90 -2.644 3.643 8.193 1.00 74.01 H new ATOM 0 HD22 LEU A 90 -2.678 3.217 6.466 1.00 74.01 H new ATOM 0 HD23 LEU A 90 -2.587 1.935 7.697 1.00 74.01 H new ATOM 1397 N VAL A 91 2.634 2.447 8.352 1.00 13.42 N ATOM 1398 CA VAL A 91 3.065 2.384 9.752 1.00 33.41 C ATOM 1399 C VAL A 91 2.297 3.402 10.607 1.00 1.11 C ATOM 1400 O VAL A 91 2.612 4.591 10.599 1.00 32.33 O ATOM 1401 CB VAL A 91 4.590 2.639 9.889 1.00 73.45 C ATOM 1402 CG1 VAL A 91 5.031 2.557 11.351 1.00 51.15 C ATOM 1403 CG2 VAL A 91 5.374 1.651 9.027 1.00 5.44 C ATOM 0 H VAL A 91 3.057 3.205 7.816 1.00 13.42 H new ATOM 0 HA VAL A 91 2.847 1.378 10.110 1.00 33.41 H new ATOM 0 HB VAL A 91 4.801 3.648 9.535 1.00 73.45 H new ATOM 0 HG11 VAL A 91 6.104 2.739 11.418 1.00 51.15 H new ATOM 0 HG12 VAL A 91 4.498 3.308 11.934 1.00 51.15 H new ATOM 0 HG13 VAL A 91 4.806 1.565 11.744 1.00 51.15 H new ATOM 0 HG21 VAL A 91 6.442 1.843 9.134 1.00 5.44 H new ATOM 0 HG22 VAL A 91 5.154 0.633 9.349 1.00 5.44 H new ATOM 0 HG23 VAL A 91 5.086 1.771 7.983 1.00 5.44 H new ATOM 1413 N LEU A 92 1.293 2.919 11.343 1.00 45.34 N ATOM 1414 CA LEU A 92 0.434 3.773 12.182 1.00 72.41 C ATOM 1415 C LEU A 92 1.258 4.726 13.069 1.00 53.13 C ATOM 1416 O LEU A 92 0.973 5.924 13.146 1.00 52.15 O ATOM 1417 CB LEU A 92 -0.472 2.888 13.054 1.00 53.43 C ATOM 1418 CG LEU A 92 -1.440 3.631 13.990 1.00 23.23 C ATOM 1419 CD1 LEU A 92 -2.429 4.476 13.191 1.00 24.25 C ATOM 1420 CD2 LEU A 92 -2.175 2.642 14.895 1.00 21.44 C ATOM 0 H LEU A 92 1.049 1.929 11.377 1.00 45.34 H new ATOM 0 HA LEU A 92 -0.175 4.391 11.522 1.00 72.41 H new ATOM 0 HB2 LEU A 92 -1.056 2.242 12.398 1.00 53.43 H new ATOM 0 HB3 LEU A 92 0.161 2.239 13.659 1.00 53.43 H new ATOM 0 HG LEU A 92 -0.858 4.303 14.620 1.00 23.23 H new ATOM 0 HD11 LEU A 92 -3.103 4.992 13.875 1.00 24.25 H new ATOM 0 HD12 LEU A 92 -1.884 5.210 12.597 1.00 24.25 H new ATOM 0 HD13 LEU A 92 -3.007 3.831 12.530 1.00 24.25 H new ATOM 0 HD21 LEU A 92 -2.856 3.185 15.551 1.00 21.44 H new ATOM 0 HD22 LEU A 92 -2.743 1.941 14.283 1.00 21.44 H new ATOM 0 HD23 LEU A 92 -1.451 2.093 15.498 1.00 21.44 H new ATOM 1432 N ASP A 93 2.284 4.176 13.718 1.00 53.31 N ATOM 1433 CA ASP A 93 3.194 4.941 14.583 1.00 11.00 C ATOM 1434 C ASP A 93 3.651 6.272 13.949 1.00 41.12 C ATOM 1435 O ASP A 93 3.603 7.323 14.587 1.00 73.11 O ATOM 1436 CB ASP A 93 4.411 4.066 14.905 1.00 13.25 C ATOM 1437 CG ASP A 93 5.446 4.780 15.753 1.00 4.41 C ATOM 1438 OD1 ASP A 93 5.243 4.891 16.978 1.00 31.55 O ATOM 1439 OD2 ASP A 93 6.473 5.217 15.200 1.00 5.31 O ATOM 0 H ASP A 93 2.512 3.183 13.661 1.00 53.31 H new ATOM 0 HA ASP A 93 2.652 5.204 15.491 1.00 11.00 H new ATOM 0 HB2 ASP A 93 4.079 3.168 15.426 1.00 13.25 H new ATOM 0 HB3 ASP A 93 4.874 3.740 13.974 1.00 13.25 H new ATOM 1444 N GLN A 94 4.092 6.217 12.695 1.00 52.32 N ATOM 1445 CA GLN A 94 4.608 7.407 11.997 1.00 12.04 C ATOM 1446 C GLN A 94 3.677 7.863 10.861 1.00 75.34 C ATOM 1447 O GLN A 94 4.007 8.792 10.125 1.00 73.33 O ATOM 1448 CB GLN A 94 6.013 7.112 11.444 1.00 21.34 C ATOM 1449 CG GLN A 94 7.102 7.079 12.513 1.00 13.13 C ATOM 1450 CD GLN A 94 8.414 6.494 12.008 1.00 71.43 C ATOM 1451 OE1 GLN A 94 9.258 7.195 11.454 1.00 73.11 O ATOM 1452 NE2 GLN A 94 8.608 5.209 12.222 1.00 44.31 N ATOM 0 H GLN A 94 4.105 5.364 12.135 1.00 52.32 H new ATOM 0 HA GLN A 94 4.657 8.221 12.720 1.00 12.04 H new ATOM 0 HB2 GLN A 94 5.996 6.153 10.927 1.00 21.34 H new ATOM 0 HB3 GLN A 94 6.268 7.869 10.703 1.00 21.34 H new ATOM 0 HG2 GLN A 94 7.278 8.092 12.876 1.00 13.13 H new ATOM 0 HG3 GLN A 94 6.752 6.492 13.362 1.00 13.13 H new ATOM 0 HE21 GLN A 94 7.888 4.655 12.685 1.00 44.31 H new ATOM 0 HE22 GLN A 94 9.479 4.768 11.925 1.00 44.31 H new ATOM 1461 N ARG A 95 2.521 7.196 10.735 1.00 22.35 N ATOM 1462 CA ARG A 95 1.504 7.474 9.691 1.00 63.12 C ATOM 1463 C ARG A 95 2.109 7.699 8.287 1.00 12.24 C ATOM 1464 O ARG A 95 1.502 8.349 7.436 1.00 43.34 O ATOM 1465 CB ARG A 95 0.596 8.657 10.094 1.00 33.22 C ATOM 1466 CG ARG A 95 1.307 9.999 10.230 1.00 42.14 C ATOM 1467 CD ARG A 95 0.362 11.096 10.706 1.00 52.31 C ATOM 1468 NE ARG A 95 1.063 12.360 10.915 1.00 23.30 N ATOM 1469 CZ ARG A 95 0.733 13.246 11.814 1.00 51.02 C ATOM 1470 NH1 ARG A 95 -0.279 13.048 12.598 1.00 42.15 N ATOM 1471 NH2 ARG A 95 1.429 14.325 11.933 1.00 44.24 N ATOM 0 H ARG A 95 2.255 6.436 11.361 1.00 22.35 H new ATOM 0 HA ARG A 95 0.895 6.573 9.621 1.00 63.12 H new ATOM 0 HB2 ARG A 95 -0.196 8.756 9.352 1.00 33.22 H new ATOM 0 HB3 ARG A 95 0.116 8.420 11.043 1.00 33.22 H new ATOM 0 HG2 ARG A 95 2.134 9.902 10.933 1.00 42.14 H new ATOM 0 HG3 ARG A 95 1.737 10.281 9.269 1.00 42.14 H new ATOM 0 HD2 ARG A 95 -0.431 11.237 9.972 1.00 52.31 H new ATOM 0 HD3 ARG A 95 -0.116 10.787 11.636 1.00 52.31 H new ATOM 0 HE ARG A 95 1.865 12.564 10.318 1.00 23.30 H new ATOM 0 HH11 ARG A 95 -0.828 12.192 12.516 1.00 42.15 H new ATOM 0 HH12 ARG A 95 -0.527 13.748 13.297 1.00 42.15 H new ATOM 0 HH21 ARG A 95 2.233 14.483 11.326 1.00 44.24 H new ATOM 0 HH22 ARG A 95 1.175 15.021 12.634 1.00 44.24 H new ATOM 1485 N ARG A 96 3.286 7.123 8.043 1.00 73.54 N ATOM 1486 CA ARG A 96 3.936 7.205 6.729 1.00 33.13 C ATOM 1487 C ARG A 96 3.816 5.878 5.972 1.00 32.31 C ATOM 1488 O ARG A 96 3.726 4.806 6.580 1.00 73.42 O ATOM 1489 CB ARG A 96 5.414 7.596 6.871 1.00 71.43 C ATOM 1490 CG ARG A 96 6.241 6.607 7.683 1.00 23.25 C ATOM 1491 CD ARG A 96 7.691 7.066 7.843 1.00 70.11 C ATOM 1492 NE ARG A 96 8.478 6.913 6.612 1.00 21.15 N ATOM 1493 CZ ARG A 96 8.978 7.905 5.915 1.00 42.42 C ATOM 1494 NH1 ARG A 96 8.757 9.138 6.254 1.00 54.52 N ATOM 1495 NH2 ARG A 96 9.712 7.657 4.878 1.00 12.04 N ATOM 0 H ARG A 96 3.812 6.593 8.738 1.00 73.54 H new ATOM 0 HA ARG A 96 3.424 7.979 6.157 1.00 33.13 H new ATOM 0 HB2 ARG A 96 5.852 7.690 5.877 1.00 71.43 H new ATOM 0 HB3 ARG A 96 5.476 8.578 7.341 1.00 71.43 H new ATOM 0 HG2 ARG A 96 5.790 6.480 8.667 1.00 23.25 H new ATOM 0 HG3 ARG A 96 6.221 5.632 7.196 1.00 23.25 H new ATOM 0 HD2 ARG A 96 7.704 8.112 8.149 1.00 70.11 H new ATOM 0 HD3 ARG A 96 8.162 6.494 8.643 1.00 70.11 H new ATOM 0 HE ARG A 96 8.648 5.966 6.275 1.00 21.15 H new ATOM 0 HH11 ARG A 96 8.187 9.347 7.074 1.00 54.52 H new ATOM 0 HH12 ARG A 96 9.153 9.898 5.701 1.00 54.52 H new ATOM 0 HH21 ARG A 96 9.900 6.692 4.605 1.00 12.04 H new ATOM 0 HH22 ARG A 96 10.102 8.426 4.334 1.00 12.04 H new ATOM 1509 N VAL A 97 3.825 5.957 4.644 1.00 22.43 N ATOM 1510 CA VAL A 97 3.681 4.772 3.788 1.00 34.41 C ATOM 1511 C VAL A 97 4.680 4.818 2.621 1.00 31.13 C ATOM 1512 O VAL A 97 5.281 5.859 2.349 1.00 64.45 O ATOM 1513 CB VAL A 97 2.239 4.647 3.212 1.00 64.23 C ATOM 1514 CG1 VAL A 97 1.195 4.876 4.290 1.00 11.24 C ATOM 1515 CG2 VAL A 97 2.019 5.605 2.044 1.00 1.12 C ATOM 0 H VAL A 97 3.931 6.832 4.131 1.00 22.43 H new ATOM 0 HA VAL A 97 3.885 3.904 4.415 1.00 34.41 H new ATOM 0 HB VAL A 97 2.128 3.629 2.839 1.00 64.23 H new ATOM 0 HG11 VAL A 97 0.199 4.782 3.858 1.00 11.24 H new ATOM 0 HG12 VAL A 97 1.319 4.135 5.080 1.00 11.24 H new ATOM 0 HG13 VAL A 97 1.317 5.875 4.708 1.00 11.24 H new ATOM 0 HG21 VAL A 97 1.003 5.491 1.667 1.00 1.12 H new ATOM 0 HG22 VAL A 97 2.168 6.631 2.382 1.00 1.12 H new ATOM 0 HG23 VAL A 97 2.729 5.378 1.249 1.00 1.12 H new ATOM 1525 N ARG A 98 4.861 3.689 1.941 1.00 33.43 N ATOM 1526 CA ARG A 98 5.696 3.639 0.733 1.00 1.31 C ATOM 1527 C ARG A 98 5.204 2.569 -0.250 1.00 35.15 C ATOM 1528 O ARG A 98 4.875 1.450 0.148 1.00 33.31 O ATOM 1529 CB ARG A 98 7.174 3.376 1.086 1.00 70.44 C ATOM 1530 CG ARG A 98 8.037 3.026 -0.130 1.00 73.33 C ATOM 1531 CD ARG A 98 9.517 2.884 0.211 1.00 35.11 C ATOM 1532 NE ARG A 98 10.262 2.237 -0.872 1.00 64.51 N ATOM 1533 CZ ARG A 98 10.654 2.829 -1.976 1.00 4.54 C ATOM 1534 NH1 ARG A 98 10.435 4.091 -2.174 1.00 12.41 N ATOM 1535 NH2 ARG A 98 11.270 2.147 -2.883 1.00 13.23 N ATOM 0 H ARG A 98 4.444 2.795 2.201 1.00 33.43 H new ATOM 0 HA ARG A 98 5.615 4.614 0.253 1.00 1.31 H new ATOM 0 HB2 ARG A 98 7.586 4.260 1.573 1.00 70.44 H new ATOM 0 HB3 ARG A 98 7.228 2.561 1.807 1.00 70.44 H new ATOM 0 HG2 ARG A 98 7.679 2.093 -0.566 1.00 73.33 H new ATOM 0 HG3 ARG A 98 7.917 3.799 -0.889 1.00 73.33 H new ATOM 0 HD2 ARG A 98 9.941 3.869 0.407 1.00 35.11 H new ATOM 0 HD3 ARG A 98 9.626 2.302 1.126 1.00 35.11 H new ATOM 0 HE ARG A 98 10.494 1.250 -0.759 1.00 64.51 H new ATOM 0 HH11 ARG A 98 9.950 4.642 -1.465 1.00 12.41 H new ATOM 0 HH12 ARG A 98 10.747 4.533 -3.038 1.00 12.41 H new ATOM 0 HH21 ARG A 98 11.450 1.153 -2.740 1.00 13.23 H new ATOM 0 HH22 ARG A 98 11.577 2.602 -3.743 1.00 13.23 H new ATOM 1549 N PHE A 99 5.145 2.932 -1.530 1.00 11.24 N ATOM 1550 CA PHE A 99 4.857 1.974 -2.600 1.00 30.20 C ATOM 1551 C PHE A 99 6.168 1.435 -3.190 1.00 24.31 C ATOM 1552 O PHE A 99 6.840 2.124 -3.954 1.00 61.44 O ATOM 1553 CB PHE A 99 4.035 2.637 -3.716 1.00 64.23 C ATOM 1554 CG PHE A 99 2.708 3.204 -3.271 1.00 3.30 C ATOM 1555 CD1 PHE A 99 2.628 4.485 -2.742 1.00 40.14 C ATOM 1556 CD2 PHE A 99 1.541 2.462 -3.399 1.00 1.44 C ATOM 1557 CE1 PHE A 99 1.414 5.013 -2.347 1.00 2.23 C ATOM 1558 CE2 PHE A 99 0.325 2.989 -3.007 1.00 52.52 C ATOM 1559 CZ PHE A 99 0.261 4.265 -2.480 1.00 51.01 C ATOM 0 H PHE A 99 5.293 3.888 -1.854 1.00 11.24 H new ATOM 0 HA PHE A 99 4.280 1.152 -2.175 1.00 30.20 H new ATOM 0 HB2 PHE A 99 4.627 3.438 -4.158 1.00 64.23 H new ATOM 0 HB3 PHE A 99 3.856 1.903 -4.502 1.00 64.23 H new ATOM 0 HD1 PHE A 99 3.526 5.076 -2.638 1.00 40.14 H new ATOM 0 HD2 PHE A 99 1.584 1.464 -3.809 1.00 1.44 H new ATOM 0 HE1 PHE A 99 1.367 6.010 -1.935 1.00 2.23 H new ATOM 0 HE2 PHE A 99 -0.576 2.403 -3.113 1.00 52.52 H new ATOM 0 HZ PHE A 99 -0.689 4.676 -2.173 1.00 51.01 H new ATOM 1569 N GLU A 100 6.544 0.220 -2.811 1.00 42.15 N ATOM 1570 CA GLU A 100 7.765 -0.401 -3.331 1.00 14.53 C ATOM 1571 C GLU A 100 7.500 -1.028 -4.709 1.00 10.32 C ATOM 1572 O GLU A 100 6.770 -2.016 -4.818 1.00 4.42 O ATOM 1573 CB GLU A 100 8.265 -1.473 -2.348 1.00 2.10 C ATOM 1574 CG GLU A 100 9.657 -2.017 -2.664 1.00 42.32 C ATOM 1575 CD GLU A 100 10.740 -0.954 -2.555 1.00 42.55 C ATOM 1576 OE1 GLU A 100 10.997 -0.475 -1.431 1.00 4.24 O ATOM 1577 OE2 GLU A 100 11.325 -0.573 -3.589 1.00 13.50 O ATOM 0 H GLU A 100 6.026 -0.357 -2.148 1.00 42.15 H new ATOM 0 HA GLU A 100 8.532 0.366 -3.441 1.00 14.53 H new ATOM 0 HB2 GLU A 100 8.272 -1.052 -1.343 1.00 2.10 H new ATOM 0 HB3 GLU A 100 7.557 -2.302 -2.342 1.00 2.10 H new ATOM 0 HG2 GLU A 100 9.887 -2.835 -1.982 1.00 42.32 H new ATOM 0 HG3 GLU A 100 9.661 -2.432 -3.672 1.00 42.32 H new ATOM 1584 N THR A 101 8.087 -0.449 -5.757 1.00 32.21 N ATOM 1585 CA THR A 101 7.889 -0.943 -7.127 1.00 31.35 C ATOM 1586 C THR A 101 8.962 -1.937 -7.551 1.00 21.44 C ATOM 1587 O THR A 101 10.143 -1.787 -7.232 1.00 60.00 O ATOM 1588 CB THR A 101 7.877 0.201 -8.175 1.00 51.44 C ATOM 1589 OG1 THR A 101 8.932 1.138 -7.912 1.00 4.11 O ATOM 1590 CG2 THR A 101 6.533 0.911 -8.205 1.00 44.24 C ATOM 0 H THR A 101 8.703 0.361 -5.687 1.00 32.21 H new ATOM 0 HA THR A 101 6.917 -1.435 -7.102 1.00 31.35 H new ATOM 0 HB THR A 101 8.042 -0.246 -9.155 1.00 51.44 H new ATOM 0 HG1 THR A 101 9.496 1.228 -8.709 1.00 4.11 H new ATOM 0 HG21 THR A 101 6.558 1.707 -8.950 1.00 44.24 H new ATOM 0 HG22 THR A 101 5.750 0.198 -8.463 1.00 44.24 H new ATOM 0 HG23 THR A 101 6.325 1.339 -7.224 1.00 44.24 H new ATOM 1598 N GLY A 102 8.539 -2.962 -8.276 1.00 43.34 N ATOM 1599 CA GLY A 102 9.479 -3.813 -8.968 1.00 31.54 C ATOM 1600 C GLY A 102 9.870 -3.239 -10.314 1.00 63.43 C ATOM 1601 O GLY A 102 9.215 -2.330 -10.830 1.00 70.44 O ATOM 0 H GLY A 102 7.559 -3.218 -8.396 1.00 43.34 H new ATOM 0 HA2 GLY A 102 10.371 -3.943 -8.355 1.00 31.54 H new ATOM 0 HA3 GLY A 102 9.041 -4.801 -9.107 1.00 31.54 H new ATOM 1605 N TYR A 103 10.915 -3.796 -10.896 1.00 45.33 N ATOM 1606 CA TYR A 103 11.465 -3.308 -12.157 1.00 11.54 C ATOM 1607 C TYR A 103 10.411 -3.221 -13.288 1.00 1.30 C ATOM 1608 O TYR A 103 10.591 -2.488 -14.259 1.00 31.41 O ATOM 1609 CB TYR A 103 12.622 -4.221 -12.571 1.00 21.33 C ATOM 1610 CG TYR A 103 13.105 -3.969 -13.974 1.00 25.14 C ATOM 1611 CD1 TYR A 103 13.943 -2.902 -14.259 1.00 75.55 C ATOM 1612 CD2 TYR A 103 12.698 -4.786 -15.017 1.00 12.22 C ATOM 1613 CE1 TYR A 103 14.366 -2.657 -15.547 1.00 72.02 C ATOM 1614 CE2 TYR A 103 13.117 -4.555 -16.309 1.00 70.15 C ATOM 1615 CZ TYR A 103 13.952 -3.485 -16.570 1.00 60.30 C ATOM 1616 OH TYR A 103 14.373 -3.238 -17.857 1.00 25.44 O ATOM 0 H TYR A 103 11.411 -4.600 -10.512 1.00 45.33 H new ATOM 0 HA TYR A 103 11.817 -2.289 -11.997 1.00 11.54 H new ATOM 0 HB2 TYR A 103 13.452 -4.082 -11.878 1.00 21.33 H new ATOM 0 HB3 TYR A 103 12.305 -5.260 -12.484 1.00 21.33 H new ATOM 0 HD1 TYR A 103 14.269 -2.253 -13.459 1.00 75.55 H new ATOM 0 HD2 TYR A 103 12.041 -5.618 -14.813 1.00 12.22 H new ATOM 0 HE1 TYR A 103 15.018 -1.821 -15.755 1.00 72.02 H new ATOM 0 HE2 TYR A 103 12.796 -5.204 -17.110 1.00 70.15 H new ATOM 0 HH TYR A 103 13.995 -3.912 -18.460 1.00 25.44 H new ATOM 1626 N GLY A 104 9.300 -3.938 -13.142 1.00 21.31 N ATOM 1627 CA GLY A 104 8.321 -4.032 -14.225 1.00 44.04 C ATOM 1628 C GLY A 104 7.335 -2.875 -14.230 1.00 0.12 C ATOM 1629 O GLY A 104 6.693 -2.588 -15.243 1.00 50.20 O ATOM 0 H GLY A 104 9.056 -4.456 -12.298 1.00 21.31 H new ATOM 0 HA2 GLY A 104 8.845 -4.061 -15.180 1.00 44.04 H new ATOM 0 HA3 GLY A 104 7.773 -4.970 -14.133 1.00 44.04 H new ATOM 1633 N LEU A 105 7.212 -2.217 -13.084 1.00 64.33 N ATOM 1634 CA LEU A 105 6.276 -1.107 -12.916 1.00 72.13 C ATOM 1635 C LEU A 105 6.986 0.251 -13.017 1.00 62.42 C ATOM 1636 O LEU A 105 6.339 1.296 -12.993 1.00 53.14 O ATOM 1637 CB LEU A 105 5.565 -1.238 -11.565 1.00 12.42 C ATOM 1638 CG LEU A 105 4.735 -2.522 -11.392 1.00 23.51 C ATOM 1639 CD1 LEU A 105 4.114 -2.590 -9.999 1.00 11.12 C ATOM 1640 CD2 LEU A 105 3.657 -2.617 -12.472 1.00 55.21 C ATOM 0 H LEU A 105 7.754 -2.434 -12.248 1.00 64.33 H new ATOM 0 HA LEU A 105 5.543 -1.152 -13.721 1.00 72.13 H new ATOM 0 HB2 LEU A 105 6.312 -1.196 -10.772 1.00 12.42 H new ATOM 0 HB3 LEU A 105 4.909 -0.378 -11.431 1.00 12.42 H new ATOM 0 HG LEU A 105 5.405 -3.374 -11.502 1.00 23.51 H new ATOM 0 HD11 LEU A 105 3.533 -3.507 -9.904 1.00 11.12 H new ATOM 0 HD12 LEU A 105 4.904 -2.581 -9.248 1.00 11.12 H new ATOM 0 HD13 LEU A 105 3.461 -1.730 -9.849 1.00 11.12 H new ATOM 0 HD21 LEU A 105 3.081 -3.532 -12.332 1.00 55.21 H new ATOM 0 HD22 LEU A 105 2.993 -1.756 -12.400 1.00 55.21 H new ATOM 0 HD23 LEU A 105 4.127 -2.631 -13.455 1.00 55.21 H new ATOM 1652 N GLU A 106 8.313 0.223 -13.146 1.00 33.12 N ATOM 1653 CA GLU A 106 9.122 1.447 -13.267 1.00 1.30 C ATOM 1654 C GLU A 106 8.600 2.384 -14.369 1.00 33.45 C ATOM 1655 O GLU A 106 8.573 3.602 -14.199 1.00 70.50 O ATOM 1656 CB GLU A 106 10.581 1.074 -13.560 1.00 74.44 C ATOM 1657 CG GLU A 106 11.283 0.370 -12.405 1.00 74.24 C ATOM 1658 CD GLU A 106 11.588 1.309 -11.249 1.00 63.30 C ATOM 1659 OE1 GLU A 106 10.730 1.474 -10.358 1.00 73.32 O ATOM 1660 OE2 GLU A 106 12.699 1.889 -11.230 1.00 51.31 O ATOM 0 H GLU A 106 8.858 -0.639 -13.170 1.00 33.12 H new ATOM 0 HA GLU A 106 9.051 1.981 -12.319 1.00 1.30 H new ATOM 0 HB2 GLU A 106 10.611 0.429 -14.438 1.00 74.44 H new ATOM 0 HB3 GLU A 106 11.134 1.979 -13.810 1.00 74.44 H new ATOM 0 HG2 GLU A 106 10.657 -0.448 -12.049 1.00 74.24 H new ATOM 0 HG3 GLU A 106 12.212 -0.072 -12.764 1.00 74.24 H new ATOM 1667 N GLY A 107 8.180 1.806 -15.492 1.00 53.14 N ATOM 1668 CA GLY A 107 7.688 2.601 -16.615 1.00 22.33 C ATOM 1669 C GLY A 107 6.384 3.346 -16.329 1.00 33.20 C ATOM 1670 O GLY A 107 5.985 4.227 -17.094 1.00 23.50 O ATOM 0 H GLY A 107 8.170 0.798 -15.648 1.00 53.14 H new ATOM 0 HA2 GLY A 107 8.453 3.325 -16.897 1.00 22.33 H new ATOM 0 HA3 GLY A 107 7.539 1.945 -17.473 1.00 22.33 H new ATOM 1674 N TYR A 108 5.719 3.000 -15.227 1.00 13.24 N ATOM 1675 CA TYR A 108 4.417 3.593 -14.883 1.00 70.23 C ATOM 1676 C TYR A 108 4.474 4.355 -13.548 1.00 62.04 C ATOM 1677 O TYR A 108 4.026 5.500 -13.449 1.00 11.44 O ATOM 1678 CB TYR A 108 3.349 2.492 -14.786 1.00 5.52 C ATOM 1679 CG TYR A 108 3.372 1.508 -15.941 1.00 40.32 C ATOM 1680 CD1 TYR A 108 2.899 1.869 -17.198 1.00 20.51 C ATOM 1681 CD2 TYR A 108 3.875 0.220 -15.776 1.00 32.05 C ATOM 1682 CE1 TYR A 108 2.926 0.977 -18.251 1.00 2.21 C ATOM 1683 CE2 TYR A 108 3.904 -0.676 -16.826 1.00 50.13 C ATOM 1684 CZ TYR A 108 3.429 -0.292 -18.062 1.00 4.05 C ATOM 1685 OH TYR A 108 3.455 -1.183 -19.113 1.00 13.43 O ATOM 0 H TYR A 108 6.057 2.312 -14.554 1.00 13.24 H new ATOM 0 HA TYR A 108 4.160 4.299 -15.672 1.00 70.23 H new ATOM 0 HB2 TYR A 108 3.489 1.945 -13.853 1.00 5.52 H new ATOM 0 HB3 TYR A 108 2.365 2.958 -14.738 1.00 5.52 H new ATOM 0 HD1 TYR A 108 2.505 2.862 -17.353 1.00 20.51 H new ATOM 0 HD2 TYR A 108 4.249 -0.083 -14.809 1.00 32.05 H new ATOM 0 HE1 TYR A 108 2.554 1.273 -19.221 1.00 2.21 H new ATOM 0 HE2 TYR A 108 4.296 -1.672 -16.680 1.00 50.13 H new ATOM 0 HH TYR A 108 3.841 -2.032 -18.812 1.00 13.43 H new ATOM 1695 N LEU A 109 5.035 3.704 -12.529 1.00 61.43 N ATOM 1696 CA LEU A 109 5.016 4.218 -11.153 1.00 20.32 C ATOM 1697 C LEU A 109 6.433 4.488 -10.610 1.00 21.13 C ATOM 1698 O LEU A 109 7.038 3.618 -9.985 1.00 42.20 O ATOM 1699 CB LEU A 109 4.314 3.199 -10.241 1.00 52.15 C ATOM 1700 CG LEU A 109 2.904 2.776 -10.680 1.00 20.05 C ATOM 1701 CD1 LEU A 109 2.443 1.551 -9.896 1.00 72.53 C ATOM 1702 CD2 LEU A 109 1.916 3.930 -10.513 1.00 55.24 C ATOM 0 H LEU A 109 5.514 2.809 -12.630 1.00 61.43 H new ATOM 0 HA LEU A 109 4.478 5.166 -11.163 1.00 20.32 H new ATOM 0 HB2 LEU A 109 4.937 2.307 -10.175 1.00 52.15 H new ATOM 0 HB3 LEU A 109 4.252 3.619 -9.237 1.00 52.15 H new ATOM 0 HG LEU A 109 2.940 2.511 -11.737 1.00 20.05 H new ATOM 0 HD11 LEU A 109 1.442 1.266 -10.221 1.00 72.53 H new ATOM 0 HD12 LEU A 109 3.131 0.725 -10.074 1.00 72.53 H new ATOM 0 HD13 LEU A 109 2.426 1.785 -8.832 1.00 72.53 H new ATOM 0 HD21 LEU A 109 0.924 3.608 -10.830 1.00 55.24 H new ATOM 0 HD22 LEU A 109 1.883 4.232 -9.466 1.00 55.24 H new ATOM 0 HD23 LEU A 109 2.236 4.774 -11.124 1.00 55.24 H new ATOM 1714 N PRO A 110 6.995 5.682 -10.863 1.00 55.43 N ATOM 1715 CA PRO A 110 8.269 6.096 -10.253 1.00 61.15 C ATOM 1716 C PRO A 110 8.082 6.669 -8.833 1.00 74.13 C ATOM 1717 O PRO A 110 6.984 7.117 -8.484 1.00 55.23 O ATOM 1718 CB PRO A 110 8.754 7.182 -11.218 1.00 41.13 C ATOM 1719 CG PRO A 110 7.500 7.810 -11.731 1.00 21.20 C ATOM 1720 CD PRO A 110 6.465 6.710 -11.785 1.00 74.11 C ATOM 0 HA PRO A 110 8.964 5.267 -10.124 1.00 61.15 H new ATOM 0 HB2 PRO A 110 9.385 7.912 -10.710 1.00 41.13 H new ATOM 0 HB3 PRO A 110 9.346 6.758 -12.029 1.00 41.13 H new ATOM 0 HG2 PRO A 110 7.174 8.618 -11.076 1.00 21.20 H new ATOM 0 HG3 PRO A 110 7.658 8.244 -12.718 1.00 21.20 H new ATOM 0 HD2 PRO A 110 5.485 7.066 -11.466 1.00 74.11 H new ATOM 0 HD3 PRO A 110 6.349 6.319 -12.796 1.00 74.11 H new ATOM 1728 N ASP A 111 9.150 6.667 -8.020 1.00 4.44 N ATOM 1729 CA ASP A 111 9.103 7.239 -6.661 1.00 51.13 C ATOM 1730 C ASP A 111 8.451 8.634 -6.647 1.00 54.03 C ATOM 1731 O ASP A 111 7.754 8.989 -5.698 1.00 71.23 O ATOM 1732 CB ASP A 111 10.512 7.329 -6.055 1.00 4.23 C ATOM 1733 CG ASP A 111 11.068 5.980 -5.627 1.00 51.12 C ATOM 1734 OD1 ASP A 111 11.617 5.258 -6.483 1.00 5.41 O ATOM 1735 OD2 ASP A 111 10.979 5.649 -4.420 1.00 40.34 O ATOM 0 H ASP A 111 10.056 6.277 -8.278 1.00 4.44 H new ATOM 0 HA ASP A 111 8.491 6.568 -6.058 1.00 51.13 H new ATOM 0 HB2 ASP A 111 11.186 7.777 -6.785 1.00 4.23 H new ATOM 0 HB3 ASP A 111 10.487 7.995 -5.192 1.00 4.23 H new ATOM 1740 N GLY A 112 8.680 9.413 -7.704 1.00 63.13 N ATOM 1741 CA GLY A 112 8.080 10.741 -7.807 1.00 15.33 C ATOM 1742 C GLY A 112 6.553 10.708 -7.847 1.00 30.45 C ATOM 1743 O GLY A 112 5.888 11.404 -7.074 1.00 65.53 O ATOM 0 H GLY A 112 9.271 9.150 -8.493 1.00 63.13 H new ATOM 0 HA2 GLY A 112 8.402 11.345 -6.959 1.00 15.33 H new ATOM 0 HA3 GLY A 112 8.450 11.232 -8.707 1.00 15.33 H new ATOM 1747 N LEU A 113 5.992 9.889 -8.736 1.00 30.22 N ATOM 1748 CA LEU A 113 4.533 9.739 -8.839 1.00 3.01 C ATOM 1749 C LEU A 113 3.954 9.168 -7.538 1.00 35.24 C ATOM 1750 O LEU A 113 2.953 9.664 -7.015 1.00 35.52 O ATOM 1751 CB LEU A 113 4.170 8.825 -10.020 1.00 71.13 C ATOM 1752 CG LEU A 113 2.672 8.507 -10.188 1.00 24.14 C ATOM 1753 CD1 LEU A 113 1.862 9.777 -10.447 1.00 14.52 C ATOM 1754 CD2 LEU A 113 2.466 7.497 -11.314 1.00 33.54 C ATOM 0 H LEU A 113 6.521 9.318 -9.396 1.00 30.22 H new ATOM 0 HA LEU A 113 4.101 10.725 -9.010 1.00 3.01 H new ATOM 0 HB2 LEU A 113 4.528 9.290 -10.938 1.00 71.13 H new ATOM 0 HB3 LEU A 113 4.711 7.885 -9.907 1.00 71.13 H new ATOM 0 HG LEU A 113 2.313 8.069 -9.257 1.00 24.14 H new ATOM 0 HD11 LEU A 113 0.809 9.520 -10.561 1.00 14.52 H new ATOM 0 HD12 LEU A 113 1.979 10.461 -9.607 1.00 14.52 H new ATOM 0 HD13 LEU A 113 2.219 10.257 -11.358 1.00 14.52 H new ATOM 0 HD21 LEU A 113 1.403 7.283 -11.420 1.00 33.54 H new ATOM 0 HD22 LEU A 113 2.848 7.910 -12.248 1.00 33.54 H new ATOM 0 HD23 LEU A 113 3.000 6.576 -11.079 1.00 33.54 H new ATOM 1766 N LEU A 114 4.603 8.128 -7.019 1.00 60.41 N ATOM 1767 CA LEU A 114 4.205 7.509 -5.752 1.00 32.32 C ATOM 1768 C LEU A 114 4.251 8.529 -4.603 1.00 73.24 C ATOM 1769 O LEU A 114 3.387 8.536 -3.728 1.00 33.33 O ATOM 1770 CB LEU A 114 5.124 6.320 -5.450 1.00 54.31 C ATOM 1771 CG LEU A 114 5.179 5.248 -6.553 1.00 10.21 C ATOM 1772 CD1 LEU A 114 6.223 4.185 -6.226 1.00 24.51 C ATOM 1773 CD2 LEU A 114 3.802 4.616 -6.765 1.00 45.33 C ATOM 0 H LEU A 114 5.413 7.692 -7.459 1.00 60.41 H new ATOM 0 HA LEU A 114 3.178 7.155 -5.843 1.00 32.32 H new ATOM 0 HB2 LEU A 114 6.133 6.694 -5.276 1.00 54.31 H new ATOM 0 HB3 LEU A 114 4.794 5.851 -4.523 1.00 54.31 H new ATOM 0 HG LEU A 114 5.474 5.733 -7.483 1.00 10.21 H new ATOM 0 HD11 LEU A 114 6.243 3.438 -7.020 1.00 24.51 H new ATOM 0 HD12 LEU A 114 7.204 4.652 -6.142 1.00 24.51 H new ATOM 0 HD13 LEU A 114 5.969 3.704 -5.282 1.00 24.51 H new ATOM 0 HD21 LEU A 114 3.865 3.861 -7.549 1.00 45.33 H new ATOM 0 HD22 LEU A 114 3.469 4.149 -5.838 1.00 45.33 H new ATOM 0 HD23 LEU A 114 3.089 5.387 -7.059 1.00 45.33 H new ATOM 1785 N SER A 115 5.261 9.399 -4.629 1.00 61.21 N ATOM 1786 CA SER A 115 5.389 10.475 -3.634 1.00 54.14 C ATOM 1787 C SER A 115 4.192 11.429 -3.702 1.00 12.14 C ATOM 1788 O SER A 115 3.679 11.871 -2.669 1.00 23.05 O ATOM 1789 CB SER A 115 6.691 11.263 -3.840 1.00 60.51 C ATOM 1790 OG SER A 115 6.834 12.294 -2.872 1.00 31.41 O ATOM 0 H SER A 115 6.005 9.383 -5.327 1.00 61.21 H new ATOM 0 HA SER A 115 5.413 10.009 -2.649 1.00 54.14 H new ATOM 0 HB2 SER A 115 7.542 10.584 -3.779 1.00 60.51 H new ATOM 0 HB3 SER A 115 6.701 11.697 -4.840 1.00 60.51 H new ATOM 0 HG SER A 115 7.673 12.776 -3.029 1.00 31.41 H new ATOM 1796 N ARG A 116 3.736 11.740 -4.921 1.00 71.12 N ATOM 1797 CA ARG A 116 2.530 12.559 -5.089 1.00 72.33 C ATOM 1798 C ARG A 116 1.300 11.845 -4.517 1.00 30.41 C ATOM 1799 O ARG A 116 0.537 12.435 -3.769 1.00 24.04 O ATOM 1800 CB ARG A 116 2.261 12.919 -6.559 1.00 61.23 C ATOM 1801 CG ARG A 116 0.950 13.693 -6.734 1.00 41.43 C ATOM 1802 CD ARG A 116 0.547 13.888 -8.191 1.00 35.33 C ATOM 1803 NE ARG A 116 -0.847 14.332 -8.294 1.00 33.53 N ATOM 1804 CZ ARG A 116 -1.609 14.138 -9.337 1.00 52.05 C ATOM 1805 NH1 ARG A 116 -1.124 13.649 -10.431 1.00 71.51 N ATOM 1806 NH2 ARG A 116 -2.859 14.468 -9.287 1.00 61.32 N ATOM 0 H ARG A 116 4.175 11.443 -5.792 1.00 71.12 H new ATOM 0 HA ARG A 116 2.712 13.483 -4.540 1.00 72.33 H new ATOM 0 HB2 ARG A 116 3.088 13.517 -6.942 1.00 61.23 H new ATOM 0 HB3 ARG A 116 2.225 12.007 -7.154 1.00 61.23 H new ATOM 0 HG2 ARG A 116 0.153 13.163 -6.213 1.00 41.43 H new ATOM 0 HG3 ARG A 116 1.048 14.669 -6.259 1.00 41.43 H new ATOM 0 HD2 ARG A 116 1.202 14.623 -8.658 1.00 35.33 H new ATOM 0 HD3 ARG A 116 0.676 12.953 -8.736 1.00 35.33 H new ATOM 0 HE ARG A 116 -1.249 14.826 -7.497 1.00 33.53 H new ATOM 0 HH11 ARG A 116 -0.134 13.409 -10.488 1.00 71.51 H new ATOM 0 HH12 ARG A 116 -1.731 13.503 -11.238 1.00 71.51 H new ATOM 0 HH21 ARG A 116 -3.245 14.877 -8.436 1.00 61.32 H new ATOM 0 HH22 ARG A 116 -3.459 14.319 -10.098 1.00 61.32 H new ATOM 1820 N ILE A 117 1.107 10.573 -4.873 1.00 34.12 N ATOM 1821 CA ILE A 117 -0.038 9.802 -4.364 1.00 63.43 C ATOM 1822 C ILE A 117 -0.131 9.904 -2.830 1.00 51.34 C ATOM 1823 O ILE A 117 -1.203 10.163 -2.271 1.00 64.41 O ATOM 1824 CB ILE A 117 0.044 8.306 -4.779 1.00 65.15 C ATOM 1825 CG1 ILE A 117 0.103 8.175 -6.313 1.00 40.24 C ATOM 1826 CG2 ILE A 117 -1.141 7.519 -4.216 1.00 74.10 C ATOM 1827 CD1 ILE A 117 0.242 6.748 -6.803 1.00 44.34 C ATOM 0 H ILE A 117 1.719 10.056 -5.504 1.00 34.12 H new ATOM 0 HA ILE A 117 -0.934 10.234 -4.809 1.00 63.43 H new ATOM 0 HB ILE A 117 0.959 7.885 -4.361 1.00 65.15 H new ATOM 0 HG12 ILE A 117 -0.801 8.609 -6.740 1.00 40.24 H new ATOM 0 HG13 ILE A 117 0.944 8.760 -6.686 1.00 40.24 H new ATOM 0 HG21 ILE A 117 -1.062 6.475 -4.520 1.00 74.10 H new ATOM 0 HG22 ILE A 117 -1.135 7.582 -3.128 1.00 74.10 H new ATOM 0 HG23 ILE A 117 -2.071 7.939 -4.599 1.00 74.10 H new ATOM 0 HD11 ILE A 117 0.277 6.739 -7.892 1.00 44.34 H new ATOM 0 HD12 ILE A 117 1.161 6.315 -6.407 1.00 44.34 H new ATOM 0 HD13 ILE A 117 -0.611 6.162 -6.462 1.00 44.34 H new ATOM 1839 N ILE A 118 1.010 9.742 -2.164 1.00 72.31 N ATOM 1840 CA ILE A 118 1.073 9.843 -0.705 1.00 63.32 C ATOM 1841 C ILE A 118 0.740 11.265 -0.204 1.00 21.34 C ATOM 1842 O ILE A 118 -0.194 11.451 0.565 1.00 35.13 O ATOM 1843 CB ILE A 118 2.477 9.441 -0.180 1.00 31.15 C ATOM 1844 CG1 ILE A 118 2.843 8.022 -0.654 1.00 51.00 C ATOM 1845 CG2 ILE A 118 2.530 9.531 1.347 1.00 40.44 C ATOM 1846 CD1 ILE A 118 4.253 7.599 -0.297 1.00 1.44 C ATOM 0 H ILE A 118 1.905 9.540 -2.610 1.00 72.31 H new ATOM 0 HA ILE A 118 0.323 9.154 -0.317 1.00 63.32 H new ATOM 0 HB ILE A 118 3.209 10.139 -0.587 1.00 31.15 H new ATOM 0 HG12 ILE A 118 2.140 7.312 -0.219 1.00 51.00 H new ATOM 0 HG13 ILE A 118 2.721 7.968 -1.736 1.00 51.00 H new ATOM 0 HG21 ILE A 118 3.523 9.245 1.694 1.00 40.44 H new ATOM 0 HG22 ILE A 118 2.317 10.554 1.659 1.00 40.44 H new ATOM 0 HG23 ILE A 118 1.788 8.859 1.777 1.00 40.44 H new ATOM 0 HD11 ILE A 118 4.434 6.589 -0.665 1.00 1.44 H new ATOM 0 HD12 ILE A 118 4.966 8.285 -0.755 1.00 1.44 H new ATOM 0 HD13 ILE A 118 4.375 7.618 0.786 1.00 1.44 H new ATOM 1858 N HIS A 119 1.480 12.267 -0.676 1.00 44.05 N ATOM 1859 CA HIS A 119 1.358 13.643 -0.150 1.00 12.24 C ATOM 1860 C HIS A 119 0.103 14.384 -0.647 1.00 43.22 C ATOM 1861 O HIS A 119 -0.496 15.175 0.086 1.00 11.44 O ATOM 1862 CB HIS A 119 2.610 14.449 -0.512 1.00 43.32 C ATOM 1863 CG HIS A 119 3.779 14.178 0.384 1.00 14.01 C ATOM 1864 ND1 HIS A 119 4.073 14.962 1.476 1.00 52.23 N ATOM 1865 CD2 HIS A 119 4.730 13.211 0.353 1.00 23.01 C ATOM 1866 CE1 HIS A 119 5.147 14.497 2.077 1.00 25.23 C ATOM 1867 NE2 HIS A 119 5.570 13.436 1.418 1.00 24.43 N ATOM 0 H HIS A 119 2.171 12.162 -1.419 1.00 44.05 H new ATOM 0 HA HIS A 119 1.258 13.553 0.932 1.00 12.24 H new ATOM 0 HB2 HIS A 119 2.892 14.224 -1.541 1.00 43.32 H new ATOM 0 HB3 HIS A 119 2.371 15.512 -0.472 1.00 43.32 H new ATOM 0 HD2 HIS A 119 4.812 12.414 -0.372 1.00 23.01 H new ATOM 0 HE1 HIS A 119 5.605 14.914 2.962 1.00 25.23 H new ATOM 0 HE2 HIS A 119 6.387 12.874 1.659 1.00 24.43 H new ATOM 1876 N ASP A 120 -0.295 14.114 -1.876 1.00 64.10 N ATOM 1877 CA ASP A 120 -1.357 14.879 -2.540 1.00 74.11 C ATOM 1878 C ASP A 120 -2.754 14.403 -2.111 1.00 75.31 C ATOM 1879 O ASP A 120 -3.692 15.194 -2.028 1.00 13.03 O ATOM 1880 CB ASP A 120 -1.193 14.762 -4.063 1.00 61.24 C ATOM 1881 CG ASP A 120 -2.067 15.729 -4.838 1.00 74.31 C ATOM 1882 OD1 ASP A 120 -1.970 16.950 -4.596 1.00 74.44 O ATOM 1883 OD2 ASP A 120 -2.842 15.275 -5.708 1.00 70.03 O ATOM 0 H ASP A 120 0.099 13.366 -2.446 1.00 64.10 H new ATOM 0 HA ASP A 120 -1.267 15.923 -2.241 1.00 74.11 H new ATOM 0 HB2 ASP A 120 -0.149 14.938 -4.323 1.00 61.24 H new ATOM 0 HB3 ASP A 120 -1.430 13.743 -4.370 1.00 61.24 H new ATOM 1888 N ARG A 121 -2.882 13.108 -1.826 1.00 21.13 N ATOM 1889 CA ARG A 121 -4.184 12.516 -1.488 1.00 21.43 C ATOM 1890 C ARG A 121 -4.167 11.810 -0.119 1.00 64.33 C ATOM 1891 O ARG A 121 -4.952 12.137 0.772 1.00 14.24 O ATOM 1892 CB ARG A 121 -4.591 11.514 -2.574 1.00 60.35 C ATOM 1893 CG ARG A 121 -4.636 12.096 -3.983 1.00 23.11 C ATOM 1894 CD ARG A 121 -5.148 11.075 -4.993 1.00 12.31 C ATOM 1895 NE ARG A 121 -6.503 10.624 -4.672 1.00 13.05 N ATOM 1896 CZ ARG A 121 -7.198 9.798 -5.405 1.00 71.34 C ATOM 1897 NH1 ARG A 121 -6.687 9.261 -6.467 1.00 20.41 N ATOM 1898 NH2 ARG A 121 -8.408 9.495 -5.063 1.00 61.33 N ATOM 0 H ARG A 121 -2.105 12.447 -1.821 1.00 21.13 H new ATOM 0 HA ARG A 121 -4.908 13.329 -1.431 1.00 21.43 H new ATOM 0 HB2 ARG A 121 -3.891 10.679 -2.561 1.00 60.35 H new ATOM 0 HB3 ARG A 121 -5.573 11.110 -2.329 1.00 60.35 H new ATOM 0 HG2 ARG A 121 -5.280 12.975 -3.994 1.00 23.11 H new ATOM 0 HG3 ARG A 121 -3.639 12.428 -4.273 1.00 23.11 H new ATOM 0 HD2 ARG A 121 -5.138 11.514 -5.991 1.00 12.31 H new ATOM 0 HD3 ARG A 121 -4.475 10.218 -5.016 1.00 12.31 H new ATOM 0 HE ARG A 121 -6.933 10.979 -3.818 1.00 13.05 H new ATOM 0 HH11 ARG A 121 -5.729 9.482 -6.740 1.00 20.41 H new ATOM 0 HH12 ARG A 121 -7.242 8.617 -7.030 1.00 20.41 H new ATOM 0 HH21 ARG A 121 -8.817 9.902 -4.222 1.00 61.33 H new ATOM 0 HH22 ARG A 121 -8.953 8.850 -5.635 1.00 61.33 H new ATOM 1912 N MET A 122 -3.252 10.857 0.045 1.00 15.53 N ATOM 1913 CA MET A 122 -3.225 9.985 1.230 1.00 71.22 C ATOM 1914 C MET A 122 -2.951 10.744 2.550 1.00 32.45 C ATOM 1915 O MET A 122 -3.612 10.493 3.562 1.00 55.03 O ATOM 1916 CB MET A 122 -2.182 8.880 1.024 1.00 74.31 C ATOM 1917 CG MET A 122 -2.458 8.005 -0.196 1.00 10.42 C ATOM 1918 SD MET A 122 -1.240 6.690 -0.408 1.00 32.23 S ATOM 1919 CE MET A 122 -1.618 5.645 0.995 1.00 34.12 C ATOM 0 H MET A 122 -2.512 10.664 -0.630 1.00 15.53 H new ATOM 0 HA MET A 122 -4.221 9.555 1.333 1.00 71.22 H new ATOM 0 HB2 MET A 122 -1.197 9.335 0.920 1.00 74.31 H new ATOM 0 HB3 MET A 122 -2.150 8.251 1.913 1.00 74.31 H new ATOM 0 HG2 MET A 122 -3.450 7.563 -0.103 1.00 10.42 H new ATOM 0 HG3 MET A 122 -2.470 8.629 -1.089 1.00 10.42 H new ATOM 0 HE1 MET A 122 -1.299 4.624 0.785 1.00 34.12 H new ATOM 0 HE2 MET A 122 -1.093 6.015 1.876 1.00 34.12 H new ATOM 0 HE3 MET A 122 -2.692 5.659 1.180 1.00 34.12 H new ATOM 1929 N ILE A 123 -1.986 11.669 2.544 1.00 50.11 N ATOM 1930 CA ILE A 123 -1.624 12.417 3.761 1.00 74.12 C ATOM 1931 C ILE A 123 -2.829 13.176 4.359 1.00 22.43 C ATOM 1932 O ILE A 123 -3.088 13.067 5.559 1.00 5.32 O ATOM 1933 CB ILE A 123 -0.440 13.403 3.524 1.00 32.41 C ATOM 1934 CG1 ILE A 123 0.855 12.639 3.190 1.00 31.21 C ATOM 1935 CG2 ILE A 123 -0.227 14.308 4.740 1.00 60.32 C ATOM 1936 CD1 ILE A 123 1.350 11.731 4.298 1.00 4.31 C ATOM 0 H ILE A 123 -1.442 11.920 1.718 1.00 50.11 H new ATOM 0 HA ILE A 123 -1.299 11.666 4.481 1.00 74.12 H new ATOM 0 HB ILE A 123 -0.698 14.031 2.671 1.00 32.41 H new ATOM 0 HG12 ILE A 123 0.689 12.041 2.294 1.00 31.21 H new ATOM 0 HG13 ILE A 123 1.637 13.360 2.951 1.00 31.21 H new ATOM 0 HG21 ILE A 123 0.605 14.986 4.548 1.00 60.32 H new ATOM 0 HG22 ILE A 123 -1.132 14.887 4.925 1.00 60.32 H new ATOM 0 HG23 ILE A 123 -0.002 13.696 5.614 1.00 60.32 H new ATOM 0 HD11 ILE A 123 2.265 11.233 3.978 1.00 4.31 H new ATOM 0 HD12 ILE A 123 1.552 12.323 5.191 1.00 4.31 H new ATOM 0 HD13 ILE A 123 0.589 10.983 4.523 1.00 4.31 H new ATOM 1948 N PRO A 124 -3.583 13.968 3.549 1.00 23.22 N ATOM 1949 CA PRO A 124 -4.835 14.599 4.010 1.00 74.11 C ATOM 1950 C PRO A 124 -5.742 13.631 4.797 1.00 31.31 C ATOM 1951 O PRO A 124 -6.277 13.984 5.854 1.00 51.20 O ATOM 1952 CB PRO A 124 -5.502 15.024 2.699 1.00 10.02 C ATOM 1953 CG PRO A 124 -4.360 15.322 1.787 1.00 54.03 C ATOM 1954 CD PRO A 124 -3.269 14.344 2.151 1.00 11.31 C ATOM 0 HA PRO A 124 -4.650 15.419 4.704 1.00 74.11 H new ATOM 0 HB2 PRO A 124 -6.135 14.232 2.299 1.00 10.02 H new ATOM 0 HB3 PRO A 124 -6.137 15.898 2.841 1.00 10.02 H new ATOM 0 HG2 PRO A 124 -4.654 15.208 0.744 1.00 54.03 H new ATOM 0 HG3 PRO A 124 -4.020 16.350 1.911 1.00 54.03 H new ATOM 0 HD2 PRO A 124 -3.274 13.475 1.492 1.00 11.31 H new ATOM 0 HD3 PRO A 124 -2.281 14.798 2.071 1.00 11.31 H new ATOM 1962 N HIS A 125 -5.901 12.409 4.283 1.00 4.13 N ATOM 1963 CA HIS A 125 -6.685 11.376 4.969 1.00 63.20 C ATOM 1964 C HIS A 125 -6.047 10.982 6.313 1.00 3.40 C ATOM 1965 O HIS A 125 -6.712 10.991 7.351 1.00 45.15 O ATOM 1966 CB HIS A 125 -6.837 10.131 4.086 1.00 70.14 C ATOM 1967 CG HIS A 125 -7.674 10.351 2.864 1.00 40.20 C ATOM 1968 ND1 HIS A 125 -9.014 10.630 2.962 1.00 72.10 N ATOM 1969 CD2 HIS A 125 -7.324 10.321 1.556 1.00 11.11 C ATOM 1970 CE1 HIS A 125 -9.446 10.767 1.722 1.00 22.14 C ATOM 1971 NE2 HIS A 125 -8.458 10.588 0.839 1.00 61.05 N ATOM 0 H HIS A 125 -5.498 12.110 3.395 1.00 4.13 H new ATOM 0 HA HIS A 125 -7.671 11.798 5.166 1.00 63.20 H new ATOM 0 HB2 HIS A 125 -5.847 9.792 3.780 1.00 70.14 H new ATOM 0 HB3 HIS A 125 -7.280 9.330 4.678 1.00 70.14 H new ATOM 0 HD2 HIS A 125 -6.340 10.124 1.156 1.00 11.11 H new ATOM 0 HE1 HIS A 125 -10.467 10.995 1.455 1.00 22.14 H new ATOM 0 HE2 HIS A 125 -8.535 10.641 -0.177 1.00 61.05 H new ATOM 1979 N PHE A 126 -4.755 10.644 6.291 1.00 43.25 N ATOM 1980 CA PHE A 126 -4.035 10.237 7.512 1.00 13.04 C ATOM 1981 C PHE A 126 -4.107 11.320 8.601 1.00 0.44 C ATOM 1982 O PHE A 126 -4.267 11.015 9.784 1.00 34.34 O ATOM 1983 CB PHE A 126 -2.567 9.912 7.198 1.00 64.01 C ATOM 1984 CG PHE A 126 -2.389 8.765 6.231 1.00 31.12 C ATOM 1985 CD1 PHE A 126 -3.217 7.651 6.290 1.00 0.25 C ATOM 1986 CD2 PHE A 126 -1.395 8.801 5.263 1.00 2.12 C ATOM 1987 CE1 PHE A 126 -3.056 6.600 5.406 1.00 74.25 C ATOM 1988 CE2 PHE A 126 -1.232 7.753 4.377 1.00 42.24 C ATOM 1989 CZ PHE A 126 -2.064 6.652 4.450 1.00 54.53 C ATOM 0 H PHE A 126 -4.183 10.642 5.446 1.00 43.25 H new ATOM 0 HA PHE A 126 -4.526 9.340 7.890 1.00 13.04 H new ATOM 0 HB2 PHE A 126 -2.088 10.800 6.785 1.00 64.01 H new ATOM 0 HB3 PHE A 126 -2.050 9.674 8.128 1.00 64.01 H new ATOM 0 HD1 PHE A 126 -3.997 7.605 7.036 1.00 0.25 H new ATOM 0 HD2 PHE A 126 -0.741 9.658 5.201 1.00 2.12 H new ATOM 0 HE1 PHE A 126 -3.706 5.740 5.464 1.00 74.25 H new ATOM 0 HE2 PHE A 126 -0.455 7.794 3.628 1.00 42.24 H new ATOM 0 HZ PHE A 126 -1.937 5.832 3.758 1.00 54.53 H new ATOM 1999 N ARG A 127 -3.994 12.584 8.192 1.00 12.41 N ATOM 2000 CA ARG A 127 -4.119 13.718 9.118 1.00 53.21 C ATOM 2001 C ARG A 127 -5.554 13.836 9.653 1.00 24.31 C ATOM 2002 O ARG A 127 -5.776 14.190 10.810 1.00 21.31 O ATOM 2003 CB ARG A 127 -3.711 15.024 8.422 1.00 15.04 C ATOM 2004 CG ARG A 127 -2.248 15.055 7.985 1.00 0.14 C ATOM 2005 CD ARG A 127 -1.895 16.357 7.273 1.00 32.41 C ATOM 2006 NE ARG A 127 -2.175 17.528 8.100 1.00 13.02 N ATOM 2007 CZ ARG A 127 -1.696 18.719 7.881 1.00 63.34 C ATOM 2008 NH1 ARG A 127 -0.890 18.943 6.891 1.00 30.04 N ATOM 2009 NH2 ARG A 127 -2.021 19.690 8.666 1.00 11.35 N ATOM 0 H ARG A 127 -3.816 12.852 7.224 1.00 12.41 H new ATOM 0 HA ARG A 127 -3.451 13.539 9.960 1.00 53.21 H new ATOM 0 HB2 ARG A 127 -4.345 15.173 7.548 1.00 15.04 H new ATOM 0 HB3 ARG A 127 -3.897 15.859 9.097 1.00 15.04 H new ATOM 0 HG2 ARG A 127 -1.606 14.932 8.857 1.00 0.14 H new ATOM 0 HG3 ARG A 127 -2.049 14.213 7.322 1.00 0.14 H new ATOM 0 HD2 ARG A 127 -0.839 16.348 7.004 1.00 32.41 H new ATOM 0 HD3 ARG A 127 -2.460 16.426 6.344 1.00 32.41 H new ATOM 0 HE ARG A 127 -2.789 17.404 8.905 1.00 13.02 H new ATOM 0 HH11 ARG A 127 -0.622 18.180 6.269 1.00 30.04 H new ATOM 0 HH12 ARG A 127 -0.524 19.882 6.734 1.00 30.04 H new ATOM 0 HH21 ARG A 127 -2.649 19.522 9.452 1.00 11.35 H new ATOM 0 HH22 ARG A 127 -1.650 20.626 8.501 1.00 11.35 H new ATOM 2023 N SER A 128 -6.528 13.532 8.798 1.00 3.25 N ATOM 2024 CA SER A 128 -7.940 13.523 9.203 1.00 2.41 C ATOM 2025 C SER A 128 -8.260 12.290 10.066 1.00 50.15 C ATOM 2026 O SER A 128 -9.275 12.249 10.761 1.00 51.10 O ATOM 2027 CB SER A 128 -8.850 13.545 7.966 1.00 65.34 C ATOM 2028 OG SER A 128 -10.222 13.585 8.329 1.00 40.22 O ATOM 0 H SER A 128 -6.370 13.288 7.820 1.00 3.25 H new ATOM 0 HA SER A 128 -8.124 14.417 9.799 1.00 2.41 H new ATOM 0 HB2 SER A 128 -8.610 14.413 7.352 1.00 65.34 H new ATOM 0 HB3 SER A 128 -8.659 12.661 7.357 1.00 65.34 H new ATOM 0 HG SER A 128 -10.774 13.600 7.520 1.00 40.22 H new ATOM 2034 N GLY A 129 -7.377 11.293 10.021 1.00 70.41 N ATOM 2035 CA GLY A 129 -7.586 10.054 10.768 1.00 12.25 C ATOM 2036 C GLY A 129 -8.085 8.914 9.887 1.00 33.31 C ATOM 2037 O GLY A 129 -8.225 7.776 10.337 1.00 23.34 O ATOM 0 H GLY A 129 -6.514 11.319 9.478 1.00 70.41 H new ATOM 0 HA2 GLY A 129 -6.650 9.758 11.243 1.00 12.25 H new ATOM 0 HA3 GLY A 129 -8.306 10.233 11.567 1.00 12.25 H new ATOM 2041 N ASN A 130 -8.340 9.219 8.620 1.00 4.33 N ATOM 2042 CA ASN A 130 -8.836 8.226 7.666 1.00 54.22 C ATOM 2043 C ASN A 130 -7.703 7.357 7.100 1.00 34.42 C ATOM 2044 O ASN A 130 -7.317 7.494 5.939 1.00 62.14 O ATOM 2045 CB ASN A 130 -9.585 8.912 6.523 1.00 33.20 C ATOM 2046 CG ASN A 130 -10.868 9.575 6.975 1.00 4.12 C ATOM 2047 OD1 ASN A 130 -11.466 9.187 7.973 1.00 34.33 O ATOM 2048 ND2 ASN A 130 -11.312 10.562 6.232 1.00 43.11 N ATOM 0 H ASN A 130 -8.212 10.151 8.225 1.00 4.33 H new ATOM 0 HA ASN A 130 -9.520 7.572 8.207 1.00 54.22 H new ATOM 0 HB2 ASN A 130 -8.936 9.660 6.067 1.00 33.20 H new ATOM 0 HB3 ASN A 130 -9.814 8.176 5.752 1.00 33.20 H new ATOM 0 HD21 ASN A 130 -12.182 11.034 6.478 1.00 43.11 H new ATOM 0 HD22 ASN A 130 -10.787 10.857 5.409 1.00 43.11 H new ATOM 2055 N TYR A 131 -7.167 6.469 7.927 1.00 30.21 N ATOM 2056 CA TYR A 131 -6.119 5.542 7.485 1.00 54.02 C ATOM 2057 C TYR A 131 -6.667 4.536 6.461 1.00 53.55 C ATOM 2058 O TYR A 131 -6.052 4.295 5.422 1.00 61.40 O ATOM 2059 CB TYR A 131 -5.515 4.806 8.687 1.00 73.51 C ATOM 2060 CG TYR A 131 -4.773 5.718 9.647 1.00 52.30 C ATOM 2061 CD1 TYR A 131 -5.437 6.358 10.689 1.00 62.24 C ATOM 2062 CD2 TYR A 131 -3.406 5.942 9.507 1.00 44.20 C ATOM 2063 CE1 TYR A 131 -4.763 7.192 11.562 1.00 55.43 C ATOM 2064 CE2 TYR A 131 -2.726 6.773 10.377 1.00 53.03 C ATOM 2065 CZ TYR A 131 -3.407 7.396 11.401 1.00 23.12 C ATOM 2066 OH TYR A 131 -2.734 8.225 12.269 1.00 73.51 O ATOM 0 H TYR A 131 -7.436 6.367 8.906 1.00 30.21 H new ATOM 0 HA TYR A 131 -5.335 6.124 7.000 1.00 54.02 H new ATOM 0 HB2 TYR A 131 -6.312 4.295 9.227 1.00 73.51 H new ATOM 0 HB3 TYR A 131 -4.831 4.038 8.326 1.00 73.51 H new ATOM 0 HD1 TYR A 131 -6.498 6.201 10.818 1.00 62.24 H new ATOM 0 HD2 TYR A 131 -2.868 5.458 8.705 1.00 44.20 H new ATOM 0 HE1 TYR A 131 -5.294 7.681 12.365 1.00 55.43 H new ATOM 0 HE2 TYR A 131 -1.665 6.934 10.255 1.00 53.03 H new ATOM 0 HH TYR A 131 -1.769 8.080 12.178 1.00 73.51 H new ATOM 2076 N ALA A 132 -7.837 3.967 6.753 1.00 41.21 N ATOM 2077 CA ALA A 132 -8.482 3.006 5.846 1.00 24.15 C ATOM 2078 C ALA A 132 -8.968 3.691 4.558 1.00 71.12 C ATOM 2079 O ALA A 132 -8.726 3.207 3.450 1.00 13.20 O ATOM 2080 CB ALA A 132 -9.640 2.310 6.554 1.00 53.42 C ATOM 0 H ALA A 132 -8.360 4.152 7.609 1.00 41.21 H new ATOM 0 HA ALA A 132 -7.741 2.258 5.563 1.00 24.15 H new ATOM 0 HB1 ALA A 132 -10.110 1.601 5.872 1.00 53.42 H new ATOM 0 HB2 ALA A 132 -9.265 1.779 7.429 1.00 53.42 H new ATOM 0 HB3 ALA A 132 -10.374 3.052 6.867 1.00 53.42 H new ATOM 2086 N GLU A 133 -9.649 4.827 4.720 1.00 2.40 N ATOM 2087 CA GLU A 133 -10.151 5.609 3.583 1.00 53.42 C ATOM 2088 C GLU A 133 -8.991 6.055 2.674 1.00 61.10 C ATOM 2089 O GLU A 133 -9.088 5.998 1.444 1.00 32.32 O ATOM 2090 CB GLU A 133 -10.922 6.830 4.108 1.00 13.02 C ATOM 2091 CG GLU A 133 -11.721 7.596 3.056 1.00 44.32 C ATOM 2092 CD GLU A 133 -12.911 6.805 2.529 1.00 4.22 C ATOM 2093 OE1 GLU A 133 -13.872 6.591 3.303 1.00 13.34 O ATOM 2094 OE2 GLU A 133 -12.899 6.403 1.347 1.00 42.32 O ATOM 0 H GLU A 133 -9.868 5.229 5.631 1.00 2.40 H new ATOM 0 HA GLU A 133 -10.821 4.986 2.990 1.00 53.42 H new ATOM 0 HB2 GLU A 133 -11.605 6.499 4.890 1.00 13.02 H new ATOM 0 HB3 GLU A 133 -10.213 7.515 4.573 1.00 13.02 H new ATOM 0 HG2 GLU A 133 -12.075 8.533 3.486 1.00 44.32 H new ATOM 0 HG3 GLU A 133 -11.065 7.854 2.225 1.00 44.32 H new ATOM 2101 N GLY A 134 -7.888 6.474 3.301 1.00 24.34 N ATOM 2102 CA GLY A 134 -6.693 6.876 2.567 1.00 63.35 C ATOM 2103 C GLY A 134 -6.062 5.736 1.772 1.00 23.01 C ATOM 2104 O GLY A 134 -5.840 5.859 0.569 1.00 3.22 O ATOM 0 H GLY A 134 -7.802 6.542 4.315 1.00 24.34 H new ATOM 0 HA2 GLY A 134 -6.949 7.687 1.885 1.00 63.35 H new ATOM 0 HA3 GLY A 134 -5.959 7.270 3.270 1.00 63.35 H new ATOM 2108 N LEU A 135 -5.768 4.620 2.445 1.00 72.35 N ATOM 2109 CA LEU A 135 -5.221 3.437 1.768 1.00 50.44 C ATOM 2110 C LEU A 135 -6.114 3.000 0.597 1.00 21.00 C ATOM 2111 O LEU A 135 -5.626 2.702 -0.492 1.00 3.20 O ATOM 2112 CB LEU A 135 -5.070 2.270 2.754 1.00 0.22 C ATOM 2113 CG LEU A 135 -4.022 2.458 3.864 1.00 25.00 C ATOM 2114 CD1 LEU A 135 -3.984 1.231 4.770 1.00 22.33 C ATOM 2115 CD2 LEU A 135 -2.640 2.732 3.273 1.00 30.11 C ATOM 0 H LEU A 135 -5.898 4.509 3.451 1.00 72.35 H new ATOM 0 HA LEU A 135 -4.241 3.711 1.377 1.00 50.44 H new ATOM 0 HB2 LEU A 135 -6.037 2.088 3.222 1.00 0.22 H new ATOM 0 HB3 LEU A 135 -4.815 1.373 2.189 1.00 0.22 H new ATOM 0 HG LEU A 135 -4.310 3.324 4.460 1.00 25.00 H new ATOM 0 HD11 LEU A 135 -3.238 1.378 5.551 1.00 22.33 H new ATOM 0 HD12 LEU A 135 -4.963 1.085 5.226 1.00 22.33 H new ATOM 0 HD13 LEU A 135 -3.724 0.352 4.181 1.00 22.33 H new ATOM 0 HD21 LEU A 135 -1.918 2.861 4.080 1.00 30.11 H new ATOM 0 HD22 LEU A 135 -2.339 1.892 2.647 1.00 30.11 H new ATOM 0 HD23 LEU A 135 -2.676 3.639 2.670 1.00 30.11 H new ATOM 2127 N SER A 136 -7.425 2.972 0.833 1.00 75.41 N ATOM 2128 CA SER A 136 -8.396 2.560 -0.190 1.00 32.21 C ATOM 2129 C SER A 136 -8.276 3.395 -1.476 1.00 74.52 C ATOM 2130 O SER A 136 -8.156 2.842 -2.577 1.00 35.24 O ATOM 2131 CB SER A 136 -9.826 2.662 0.358 1.00 41.23 C ATOM 2132 OG SER A 136 -10.787 2.372 -0.646 1.00 30.42 O ATOM 0 H SER A 136 -7.844 3.230 1.726 1.00 75.41 H new ATOM 0 HA SER A 136 -8.171 1.524 -0.443 1.00 32.21 H new ATOM 0 HB2 SER A 136 -9.948 1.970 1.191 1.00 41.23 H new ATOM 0 HB3 SER A 136 -9.997 3.665 0.749 1.00 41.23 H new ATOM 0 HG SER A 136 -11.176 3.208 -0.978 1.00 30.42 H new ATOM 2138 N GLU A 137 -8.296 4.722 -1.339 1.00 73.51 N ATOM 2139 CA GLU A 137 -8.256 5.613 -2.506 1.00 31.41 C ATOM 2140 C GLU A 137 -6.847 5.677 -3.123 1.00 64.15 C ATOM 2141 O GLU A 137 -6.707 5.776 -4.342 1.00 21.33 O ATOM 2142 CB GLU A 137 -8.772 7.018 -2.133 1.00 22.14 C ATOM 2143 CG GLU A 137 -7.890 7.798 -1.158 1.00 23.12 C ATOM 2144 CD GLU A 137 -7.165 8.953 -1.829 1.00 43.12 C ATOM 2145 OE1 GLU A 137 -7.773 10.043 -1.967 1.00 2.02 O ATOM 2146 OE2 GLU A 137 -6.005 8.770 -2.239 1.00 21.01 O ATOM 0 H GLU A 137 -8.339 5.203 -0.441 1.00 73.51 H new ATOM 0 HA GLU A 137 -8.918 5.199 -3.266 1.00 31.41 H new ATOM 0 HB2 GLU A 137 -8.880 7.602 -3.047 1.00 22.14 H new ATOM 0 HB3 GLU A 137 -9.767 6.919 -1.698 1.00 22.14 H new ATOM 0 HG2 GLU A 137 -8.505 8.182 -0.344 1.00 23.12 H new ATOM 0 HG3 GLU A 137 -7.159 7.123 -0.714 1.00 23.12 H new ATOM 2153 N GLY A 138 -5.812 5.600 -2.283 1.00 51.25 N ATOM 2154 CA GLY A 138 -4.438 5.524 -2.781 1.00 13.42 C ATOM 2155 C GLY A 138 -4.207 4.300 -3.667 1.00 22.54 C ATOM 2156 O GLY A 138 -3.652 4.405 -4.764 1.00 11.32 O ATOM 0 H GLY A 138 -5.898 5.589 -1.267 1.00 51.25 H new ATOM 0 HA2 GLY A 138 -4.209 6.427 -3.347 1.00 13.42 H new ATOM 0 HA3 GLY A 138 -3.749 5.493 -1.937 1.00 13.42 H new ATOM 2160 N VAL A 139 -4.645 3.134 -3.189 1.00 51.35 N ATOM 2161 CA VAL A 139 -4.619 1.902 -3.988 1.00 5.31 C ATOM 2162 C VAL A 139 -5.394 2.083 -5.300 1.00 21.43 C ATOM 2163 O VAL A 139 -4.943 1.667 -6.371 1.00 0.21 O ATOM 2164 CB VAL A 139 -5.227 0.713 -3.201 1.00 42.12 C ATOM 2165 CG1 VAL A 139 -5.413 -0.509 -4.102 1.00 15.42 C ATOM 2166 CG2 VAL A 139 -4.353 0.367 -1.996 1.00 10.24 C ATOM 0 H VAL A 139 -5.024 3.014 -2.250 1.00 51.35 H new ATOM 0 HA VAL A 139 -3.575 1.685 -4.213 1.00 5.31 H new ATOM 0 HB VAL A 139 -6.211 1.015 -2.841 1.00 42.12 H new ATOM 0 HG11 VAL A 139 -5.841 -1.327 -3.522 1.00 15.42 H new ATOM 0 HG12 VAL A 139 -6.084 -0.257 -4.923 1.00 15.42 H new ATOM 0 HG13 VAL A 139 -4.447 -0.816 -4.503 1.00 15.42 H new ATOM 0 HG21 VAL A 139 -4.794 -0.470 -1.455 1.00 10.24 H new ATOM 0 HG22 VAL A 139 -3.355 0.092 -2.337 1.00 10.24 H new ATOM 0 HG23 VAL A 139 -4.285 1.231 -1.335 1.00 10.24 H new ATOM 2176 N LEU A 140 -6.565 2.711 -5.204 1.00 54.32 N ATOM 2177 CA LEU A 140 -7.383 3.007 -6.380 1.00 74.42 C ATOM 2178 C LEU A 140 -6.625 3.925 -7.356 1.00 11.24 C ATOM 2179 O LEU A 140 -6.692 3.745 -8.571 1.00 71.24 O ATOM 2180 CB LEU A 140 -8.707 3.658 -5.950 1.00 53.31 C ATOM 2181 CG LEU A 140 -9.694 3.974 -7.087 1.00 71.14 C ATOM 2182 CD1 LEU A 140 -10.110 2.698 -7.820 1.00 13.44 C ATOM 2183 CD2 LEU A 140 -10.918 4.710 -6.547 1.00 5.00 C ATOM 0 H LEU A 140 -6.970 3.025 -4.322 1.00 54.32 H new ATOM 0 HA LEU A 140 -7.601 2.071 -6.895 1.00 74.42 H new ATOM 0 HB2 LEU A 140 -9.201 2.997 -5.238 1.00 53.31 H new ATOM 0 HB3 LEU A 140 -8.481 4.584 -5.422 1.00 53.31 H new ATOM 0 HG LEU A 140 -9.190 4.624 -7.802 1.00 71.14 H new ATOM 0 HD11 LEU A 140 -10.808 2.948 -8.619 1.00 13.44 H new ATOM 0 HD12 LEU A 140 -9.228 2.219 -8.245 1.00 13.44 H new ATOM 0 HD13 LEU A 140 -10.591 2.016 -7.119 1.00 13.44 H new ATOM 0 HD21 LEU A 140 -11.604 4.925 -7.366 1.00 5.00 H new ATOM 0 HD22 LEU A 140 -11.420 4.087 -5.807 1.00 5.00 H new ATOM 0 HD23 LEU A 140 -10.605 5.645 -6.082 1.00 5.00 H new ATOM 2195 N ALA A 141 -5.887 4.890 -6.804 1.00 51.50 N ATOM 2196 CA ALA A 141 -5.075 5.814 -7.611 1.00 33.21 C ATOM 2197 C ALA A 141 -4.017 5.053 -8.423 1.00 34.41 C ATOM 2198 O ALA A 141 -3.816 5.315 -9.609 1.00 24.41 O ATOM 2199 CB ALA A 141 -4.406 6.862 -6.717 1.00 4.01 C ATOM 0 H ALA A 141 -5.832 5.055 -5.799 1.00 51.50 H new ATOM 0 HA ALA A 141 -5.739 6.323 -8.310 1.00 33.21 H new ATOM 0 HB1 ALA A 141 -3.810 7.537 -7.331 1.00 4.01 H new ATOM 0 HB2 ALA A 141 -5.171 7.432 -6.190 1.00 4.01 H new ATOM 0 HB3 ALA A 141 -3.761 6.364 -5.993 1.00 4.01 H new ATOM 2205 N VAL A 142 -3.352 4.101 -7.773 1.00 4.20 N ATOM 2206 CA VAL A 142 -2.357 3.261 -8.438 1.00 71.00 C ATOM 2207 C VAL A 142 -2.995 2.403 -9.545 1.00 22.44 C ATOM 2208 O VAL A 142 -2.519 2.393 -10.683 1.00 43.52 O ATOM 2209 CB VAL A 142 -1.638 2.337 -7.428 1.00 33.45 C ATOM 2210 CG1 VAL A 142 -0.633 1.427 -8.132 1.00 74.11 C ATOM 2211 CG2 VAL A 142 -0.954 3.159 -6.335 1.00 63.22 C ATOM 0 H VAL A 142 -3.484 3.891 -6.784 1.00 4.20 H new ATOM 0 HA VAL A 142 -1.627 3.934 -8.888 1.00 71.00 H new ATOM 0 HB VAL A 142 -2.390 1.703 -6.959 1.00 33.45 H new ATOM 0 HG11 VAL A 142 -0.143 0.789 -7.397 1.00 74.11 H new ATOM 0 HG12 VAL A 142 -1.153 0.807 -8.862 1.00 74.11 H new ATOM 0 HG13 VAL A 142 0.115 2.035 -8.640 1.00 74.11 H new ATOM 0 HG21 VAL A 142 -0.454 2.489 -5.635 1.00 63.22 H new ATOM 0 HG22 VAL A 142 -0.219 3.825 -6.787 1.00 63.22 H new ATOM 0 HG23 VAL A 142 -1.700 3.749 -5.803 1.00 63.22 H new ATOM 2221 N GLN A 143 -4.071 1.682 -9.209 1.00 45.02 N ATOM 2222 CA GLN A 143 -4.788 0.871 -10.210 1.00 51.44 C ATOM 2223 C GLN A 143 -5.205 1.715 -11.427 1.00 31.03 C ATOM 2224 O GLN A 143 -5.112 1.255 -12.563 1.00 71.45 O ATOM 2225 CB GLN A 143 -6.028 0.189 -9.608 1.00 5.02 C ATOM 2226 CG GLN A 143 -6.784 -0.681 -10.619 1.00 52.34 C ATOM 2227 CD GLN A 143 -7.947 -1.467 -10.025 1.00 33.45 C ATOM 2228 OE1 GLN A 143 -8.595 -0.929 -9.013 1.00 54.45 O flip ATOM 2229 NE2 GLN A 143 -8.275 -2.553 -10.487 1.00 63.34 N flip ATOM 0 H GLN A 143 -4.463 1.640 -8.268 1.00 45.02 H new ATOM 0 HA GLN A 143 -4.092 0.099 -10.539 1.00 51.44 H new ATOM 0 HB2 GLN A 143 -5.722 -0.428 -8.763 1.00 5.02 H new ATOM 0 HB3 GLN A 143 -6.702 0.952 -9.218 1.00 5.02 H new ATOM 0 HG2 GLN A 143 -7.162 -0.043 -11.418 1.00 52.34 H new ATOM 0 HG3 GLN A 143 -6.083 -1.381 -11.074 1.00 52.34 H new ATOM 0 HE21 GLN A 143 -7.758 -2.951 -11.271 1.00 63.34 H new ATOM 0 HE22 GLN A 143 -9.065 -3.060 -10.087 1.00 63.34 H new ATOM 2238 N GLN A 144 -5.658 2.948 -11.183 1.00 73.34 N ATOM 2239 CA GLN A 144 -6.050 3.860 -12.270 1.00 24.11 C ATOM 2240 C GLN A 144 -4.902 4.095 -13.259 1.00 25.05 C ATOM 2241 O GLN A 144 -5.112 4.083 -14.475 1.00 73.00 O ATOM 2242 CB GLN A 144 -6.536 5.203 -11.705 1.00 33.15 C ATOM 2243 CG GLN A 144 -7.910 5.130 -11.046 1.00 61.24 C ATOM 2244 CD GLN A 144 -8.348 6.450 -10.433 1.00 12.12 C ATOM 2245 OE1 GLN A 144 -7.534 7.241 -9.971 1.00 74.52 O ATOM 2246 NE2 GLN A 144 -9.639 6.698 -10.417 1.00 62.43 N ATOM 0 H GLN A 144 -5.763 3.340 -10.247 1.00 73.34 H new ATOM 0 HA GLN A 144 -6.868 3.382 -12.810 1.00 24.11 H new ATOM 0 HB2 GLN A 144 -5.811 5.563 -10.975 1.00 33.15 H new ATOM 0 HB3 GLN A 144 -6.568 5.936 -12.511 1.00 33.15 H new ATOM 0 HG2 GLN A 144 -8.646 4.819 -11.787 1.00 61.24 H new ATOM 0 HG3 GLN A 144 -7.894 4.364 -10.271 1.00 61.24 H new ATOM 0 HE21 GLN A 144 -10.293 6.021 -10.809 1.00 62.43 H new ATOM 0 HE22 GLN A 144 -9.986 7.568 -10.013 1.00 62.43 H new ATOM 2255 N VAL A 145 -3.691 4.302 -12.736 1.00 23.34 N ATOM 2256 CA VAL A 145 -2.505 4.493 -13.579 1.00 1.32 C ATOM 2257 C VAL A 145 -2.260 3.268 -14.479 1.00 40.55 C ATOM 2258 O VAL A 145 -2.102 3.397 -15.694 1.00 43.22 O ATOM 2259 CB VAL A 145 -1.236 4.765 -12.727 1.00 3.12 C ATOM 2260 CG1 VAL A 145 -0.010 4.966 -13.619 1.00 12.03 C ATOM 2261 CG2 VAL A 145 -1.441 5.973 -11.812 1.00 4.20 C ATOM 0 H VAL A 145 -3.505 4.342 -11.734 1.00 23.34 H new ATOM 0 HA VAL A 145 -2.700 5.364 -14.204 1.00 1.32 H new ATOM 0 HB VAL A 145 -1.060 3.890 -12.101 1.00 3.12 H new ATOM 0 HG11 VAL A 145 0.865 5.155 -12.997 1.00 12.03 H new ATOM 0 HG12 VAL A 145 0.156 4.070 -14.217 1.00 12.03 H new ATOM 0 HG13 VAL A 145 -0.176 5.817 -14.280 1.00 12.03 H new ATOM 0 HG21 VAL A 145 -0.538 6.143 -11.226 1.00 4.20 H new ATOM 0 HG22 VAL A 145 -1.653 6.855 -12.416 1.00 4.20 H new ATOM 0 HG23 VAL A 145 -2.279 5.783 -11.141 1.00 4.20 H new ATOM 2271 N LEU A 146 -2.237 2.080 -13.875 1.00 71.35 N ATOM 2272 CA LEU A 146 -2.062 0.829 -14.629 1.00 45.11 C ATOM 2273 C LEU A 146 -3.186 0.645 -15.665 1.00 73.13 C ATOM 2274 O LEU A 146 -2.935 0.326 -16.830 1.00 1.01 O ATOM 2275 CB LEU A 146 -2.036 -0.367 -13.665 1.00 24.24 C ATOM 2276 CG LEU A 146 -0.927 -0.331 -12.597 1.00 42.32 C ATOM 2277 CD1 LEU A 146 -1.041 -1.532 -11.659 1.00 13.10 C ATOM 2278 CD2 LEU A 146 0.456 -0.286 -13.251 1.00 61.22 C ATOM 0 H LEU A 146 -2.337 1.953 -12.868 1.00 71.35 H new ATOM 0 HA LEU A 146 -1.113 0.883 -15.162 1.00 45.11 H new ATOM 0 HB2 LEU A 146 -3.001 -0.427 -13.161 1.00 24.24 H new ATOM 0 HB3 LEU A 146 -1.925 -1.280 -14.249 1.00 24.24 H new ATOM 0 HG LEU A 146 -1.054 0.577 -12.007 1.00 42.32 H new ATOM 0 HD11 LEU A 146 -0.248 -1.487 -10.912 1.00 13.10 H new ATOM 0 HD12 LEU A 146 -2.010 -1.514 -11.161 1.00 13.10 H new ATOM 0 HD13 LEU A 146 -0.946 -2.453 -12.234 1.00 13.10 H new ATOM 0 HD21 LEU A 146 1.224 -0.261 -12.478 1.00 61.22 H new ATOM 0 HD22 LEU A 146 0.594 -1.172 -13.871 1.00 61.22 H new ATOM 0 HD23 LEU A 146 0.536 0.607 -13.871 1.00 61.22 H new ATOM 2290 N ASP A 147 -4.421 0.866 -15.224 1.00 54.10 N ATOM 2291 CA ASP A 147 -5.606 0.791 -16.088 1.00 5.21 C ATOM 2292 C ASP A 147 -5.515 1.801 -17.252 1.00 42.51 C ATOM 2293 O ASP A 147 -6.026 1.556 -18.347 1.00 3.43 O ATOM 2294 CB ASP A 147 -6.857 1.046 -15.236 1.00 41.20 C ATOM 2295 CG ASP A 147 -8.148 1.020 -16.034 1.00 32.24 C ATOM 2296 OD1 ASP A 147 -8.690 -0.083 -16.268 1.00 51.42 O ATOM 2297 OD2 ASP A 147 -8.633 2.108 -16.411 1.00 23.22 O ATOM 0 H ASP A 147 -4.634 1.103 -14.255 1.00 54.10 H new ATOM 0 HA ASP A 147 -5.664 -0.203 -16.532 1.00 5.21 H new ATOM 0 HB2 ASP A 147 -6.910 0.294 -14.449 1.00 41.20 H new ATOM 0 HB3 ASP A 147 -6.762 2.015 -14.745 1.00 41.20 H new ATOM 2302 N GLY A 148 -4.855 2.934 -17.005 1.00 63.14 N ATOM 2303 CA GLY A 148 -4.623 3.922 -18.057 1.00 50.23 C ATOM 2304 C GLY A 148 -3.643 3.431 -19.122 1.00 65.23 C ATOM 2305 O GLY A 148 -3.641 3.917 -20.256 1.00 42.53 O ATOM 0 H GLY A 148 -4.475 3.188 -16.093 1.00 63.14 H new ATOM 0 HA2 GLY A 148 -5.572 4.172 -18.531 1.00 50.23 H new ATOM 0 HA3 GLY A 148 -4.238 4.839 -17.610 1.00 50.23 H new ATOM 2309 N SER A 149 -2.806 2.462 -18.751 1.00 21.01 N ATOM 2310 CA SER A 149 -1.839 1.863 -19.681 1.00 71.35 C ATOM 2311 C SER A 149 -2.493 0.769 -20.528 1.00 61.04 C ATOM 2312 O SER A 149 -2.616 0.899 -21.747 1.00 34.50 O ATOM 2313 CB SER A 149 -0.643 1.281 -18.914 1.00 4.34 C ATOM 2314 OG SER A 149 0.243 0.585 -19.783 1.00 51.40 O ATOM 0 H SER A 149 -2.776 2.071 -17.809 1.00 21.01 H new ATOM 0 HA SER A 149 -1.487 2.651 -20.346 1.00 71.35 H new ATOM 0 HB2 SER A 149 -0.105 2.085 -18.412 1.00 4.34 H new ATOM 0 HB3 SER A 149 -1.001 0.604 -18.139 1.00 4.34 H new ATOM 0 HG SER A 149 1.077 0.384 -19.308 1.00 51.40 H new ATOM 2320 N LEU A 150 -2.912 -0.312 -19.876 1.00 41.10 N ATOM 2321 CA LEU A 150 -3.598 -1.409 -20.561 1.00 32.42 C ATOM 2322 C LEU A 150 -4.983 -1.656 -19.950 1.00 12.10 C ATOM 2323 O LEU A 150 -5.149 -2.484 -19.054 1.00 44.21 O ATOM 2324 CB LEU A 150 -2.751 -2.693 -20.525 1.00 11.41 C ATOM 2325 CG LEU A 150 -1.409 -2.619 -21.281 1.00 33.20 C ATOM 2326 CD1 LEU A 150 -0.645 -3.936 -21.167 1.00 51.42 C ATOM 2327 CD2 LEU A 150 -1.635 -2.257 -22.749 1.00 64.21 C ATOM 0 H LEU A 150 -2.789 -0.454 -18.873 1.00 41.10 H new ATOM 0 HA LEU A 150 -3.734 -1.121 -21.603 1.00 32.42 H new ATOM 0 HB2 LEU A 150 -2.549 -2.946 -19.484 1.00 11.41 H new ATOM 0 HB3 LEU A 150 -3.340 -3.509 -20.943 1.00 11.41 H new ATOM 0 HG LEU A 150 -0.807 -1.835 -20.821 1.00 33.20 H new ATOM 0 HD11 LEU A 150 0.298 -3.858 -21.709 1.00 51.42 H new ATOM 0 HD12 LEU A 150 -0.444 -4.150 -20.117 1.00 51.42 H new ATOM 0 HD13 LEU A 150 -1.243 -4.741 -21.594 1.00 51.42 H new ATOM 0 HD21 LEU A 150 -0.676 -2.210 -23.264 1.00 64.21 H new ATOM 0 HD22 LEU A 150 -2.262 -3.015 -23.218 1.00 64.21 H new ATOM 0 HD23 LEU A 150 -2.129 -1.287 -22.813 1.00 64.21 H new ATOM 2339 N GLU A 151 -5.972 -0.913 -20.436 1.00 41.45 N ATOM 2340 CA GLU A 151 -7.367 -1.059 -19.985 1.00 14.53 C ATOM 2341 C GLU A 151 -8.041 -2.311 -20.587 1.00 51.43 C ATOM 2342 O GLU A 151 -9.226 -2.292 -20.933 1.00 74.44 O ATOM 2343 CB GLU A 151 -8.164 0.204 -20.358 1.00 62.45 C ATOM 2344 CG GLU A 151 -8.107 0.554 -21.843 1.00 72.24 C ATOM 2345 CD GLU A 151 -8.946 1.772 -22.203 1.00 63.52 C ATOM 2346 OE1 GLU A 151 -8.455 2.908 -22.035 1.00 75.42 O ATOM 2347 OE2 GLU A 151 -10.095 1.594 -22.670 1.00 73.11 O ATOM 0 H GLU A 151 -5.839 -0.195 -21.149 1.00 41.45 H new ATOM 0 HA GLU A 151 -7.358 -1.184 -18.902 1.00 14.53 H new ATOM 0 HB2 GLU A 151 -9.205 0.064 -20.067 1.00 62.45 H new ATOM 0 HB3 GLU A 151 -7.782 1.046 -19.781 1.00 62.45 H new ATOM 0 HG2 GLU A 151 -7.071 0.737 -22.127 1.00 72.24 H new ATOM 0 HG3 GLU A 151 -8.451 -0.301 -22.425 1.00 72.24 H new ATOM 2354 N HIS A 152 -7.296 -3.409 -20.674 1.00 73.55 N ATOM 2355 CA HIS A 152 -7.803 -4.652 -21.261 1.00 53.45 C ATOM 2356 C HIS A 152 -7.469 -5.858 -20.368 1.00 24.04 C ATOM 2357 O HIS A 152 -6.310 -6.266 -20.271 1.00 61.44 O ATOM 2358 CB HIS A 152 -7.210 -4.851 -22.664 1.00 21.23 C ATOM 2359 CG HIS A 152 -7.705 -6.082 -23.364 1.00 10.11 C ATOM 2360 ND1 HIS A 152 -8.782 -6.073 -24.221 1.00 30.01 N ATOM 2361 CD2 HIS A 152 -7.262 -7.362 -23.341 1.00 51.40 C ATOM 2362 CE1 HIS A 152 -8.983 -7.284 -24.691 1.00 62.22 C ATOM 2363 NE2 HIS A 152 -8.076 -8.088 -24.175 1.00 1.44 N ATOM 0 H HIS A 152 -6.333 -3.466 -20.344 1.00 73.55 H new ATOM 0 HA HIS A 152 -8.888 -4.577 -21.339 1.00 53.45 H new ATOM 0 HB2 HIS A 152 -7.445 -3.979 -23.274 1.00 21.23 H new ATOM 0 HB3 HIS A 152 -6.124 -4.902 -22.585 1.00 21.23 H new ATOM 0 HD2 HIS A 152 -6.425 -7.741 -22.773 1.00 51.40 H new ATOM 0 HE1 HIS A 152 -9.761 -7.571 -25.383 1.00 62.22 H new ATOM 0 HE2 HIS A 152 -7.992 -9.087 -24.364 1.00 1.44 H new ATOM 2372 N HIS A 153 -8.488 -6.422 -19.726 1.00 51.51 N ATOM 2373 CA HIS A 153 -8.314 -7.598 -18.865 1.00 72.13 C ATOM 2374 C HIS A 153 -7.693 -8.777 -19.640 1.00 3.15 C ATOM 2375 O HIS A 153 -8.056 -9.041 -20.786 1.00 41.12 O ATOM 2376 CB HIS A 153 -9.668 -8.015 -18.266 1.00 53.31 C ATOM 2377 CG HIS A 153 -9.580 -9.156 -17.298 1.00 34.33 C ATOM 2378 ND1 HIS A 153 -9.576 -10.476 -17.689 1.00 23.34 N ATOM 2379 CD2 HIS A 153 -9.489 -9.172 -15.947 1.00 23.34 C ATOM 2380 CE1 HIS A 153 -9.488 -11.250 -16.629 1.00 35.43 C ATOM 2381 NE2 HIS A 153 -9.434 -10.487 -15.560 1.00 20.23 N ATOM 0 H HIS A 153 -9.449 -6.085 -19.783 1.00 51.51 H new ATOM 0 HA HIS A 153 -7.629 -7.328 -18.061 1.00 72.13 H new ATOM 0 HB2 HIS A 153 -10.110 -7.156 -17.761 1.00 53.31 H new ATOM 0 HB3 HIS A 153 -10.343 -8.290 -19.076 1.00 53.31 H new ATOM 0 HD1 HIS A 153 -9.633 -10.804 -18.653 1.00 23.34 H new ATOM 0 HD2 HIS A 153 -9.464 -8.311 -15.296 1.00 23.34 H new ATOM 0 HE1 HIS A 153 -9.464 -12.330 -16.636 1.00 35.43 H new ATOM 2390 N HIS A 154 -6.750 -9.475 -19.006 1.00 64.24 N ATOM 2391 CA HIS A 154 -6.090 -10.633 -19.620 1.00 55.44 C ATOM 2392 C HIS A 154 -6.643 -11.953 -19.046 1.00 5.25 C ATOM 2393 O HIS A 154 -6.543 -12.206 -17.849 1.00 31.12 O ATOM 2394 CB HIS A 154 -4.573 -10.562 -19.383 1.00 43.33 C ATOM 2395 CG HIS A 154 -3.926 -9.299 -19.881 1.00 25.23 C ATOM 2396 ND1 HIS A 154 -3.913 -8.045 -19.366 1.00 65.30 N flip ATOM 2397 CD2 HIS A 154 -3.155 -9.240 -21.022 1.00 12.34 C flip ATOM 2398 CE1 HIS A 154 -3.139 -7.268 -20.191 1.00 70.41 C flip ATOM 2399 NE2 HIS A 154 -2.696 -8.015 -21.180 1.00 53.31 N flip ATOM 0 H HIS A 154 -6.424 -9.259 -18.064 1.00 64.24 H new ATOM 0 HA HIS A 154 -6.292 -10.609 -20.691 1.00 55.44 H new ATOM 0 HB2 HIS A 154 -4.379 -10.658 -18.315 1.00 43.33 H new ATOM 0 HB3 HIS A 154 -4.101 -11.415 -19.871 1.00 43.33 H new ATOM 0 HD1 HIS A 154 -4.391 -7.736 -18.520 1.00 65.30 H new ATOM 0 HD2 HIS A 154 -2.958 -10.070 -21.684 1.00 12.34 H new ATOM 0 HE1 HIS A 154 -2.928 -6.218 -20.052 1.00 70.41 H new ATOM 2408 N HIS A 155 -7.234 -12.786 -19.904 1.00 1.11 N ATOM 2409 CA HIS A 155 -7.767 -14.092 -19.477 1.00 10.53 C ATOM 2410 C HIS A 155 -6.698 -15.197 -19.605 1.00 3.41 C ATOM 2411 O HIS A 155 -6.886 -16.319 -19.132 1.00 42.52 O ATOM 2412 CB HIS A 155 -9.012 -14.445 -20.312 1.00 72.52 C ATOM 2413 CG HIS A 155 -9.753 -15.661 -19.835 1.00 60.43 C ATOM 2414 ND1 HIS A 155 -10.714 -15.621 -18.847 1.00 53.01 N ATOM 2415 CD2 HIS A 155 -9.677 -16.958 -20.221 1.00 63.32 C ATOM 2416 CE1 HIS A 155 -11.194 -16.832 -18.647 1.00 20.30 C ATOM 2417 NE2 HIS A 155 -10.583 -17.661 -19.469 1.00 72.44 N ATOM 0 H HIS A 155 -7.358 -12.586 -20.896 1.00 1.11 H new ATOM 0 HA HIS A 155 -8.050 -14.024 -18.426 1.00 10.53 H new ATOM 0 HB2 HIS A 155 -9.693 -13.594 -20.305 1.00 72.52 H new ATOM 0 HB3 HIS A 155 -8.708 -14.602 -21.347 1.00 72.52 H new ATOM 0 HD2 HIS A 155 -9.024 -17.363 -20.980 1.00 63.32 H new ATOM 0 HE1 HIS A 155 -11.958 -17.099 -17.932 1.00 20.30 H new ATOM 0 HE2 HIS A 155 -10.756 -18.664 -19.535 1.00 72.44 H new ATOM 2426 N HIS A 156 -5.576 -14.868 -20.245 1.00 73.42 N ATOM 2427 CA HIS A 156 -4.478 -15.824 -20.437 1.00 41.14 C ATOM 2428 C HIS A 156 -3.696 -16.050 -19.132 1.00 41.03 C ATOM 2429 O HIS A 156 -3.004 -15.151 -18.649 1.00 33.10 O ATOM 2430 CB HIS A 156 -3.530 -15.309 -21.528 1.00 62.21 C ATOM 2431 CG HIS A 156 -2.416 -16.255 -21.868 1.00 52.05 C ATOM 2432 ND1 HIS A 156 -1.355 -16.509 -21.023 1.00 32.13 N ATOM 2433 CD2 HIS A 156 -2.188 -16.994 -22.981 1.00 70.23 C ATOM 2434 CE1 HIS A 156 -0.529 -17.358 -21.601 1.00 3.22 C ATOM 2435 NE2 HIS A 156 -1.008 -17.668 -22.785 1.00 32.02 N ATOM 0 H HIS A 156 -5.400 -13.945 -20.641 1.00 73.42 H new ATOM 0 HA HIS A 156 -4.908 -16.778 -20.742 1.00 41.14 H new ATOM 0 HB2 HIS A 156 -4.108 -15.106 -22.430 1.00 62.21 H new ATOM 0 HB3 HIS A 156 -3.101 -14.361 -21.204 1.00 62.21 H new ATOM 0 HD2 HIS A 156 -2.817 -17.043 -23.858 1.00 70.23 H new ATOM 0 HE1 HIS A 156 0.388 -17.736 -21.173 1.00 3.22 H new ATOM 0 HE2 HIS A 156 -0.573 -18.307 -23.451 1.00 32.02 H new ATOM 2444 N HIS A 157 -3.791 -17.256 -18.580 1.00 24.04 N ATOM 2445 CA HIS A 157 -3.100 -17.599 -17.327 1.00 32.12 C ATOM 2446 C HIS A 157 -1.895 -18.536 -17.592 1.00 61.31 C ATOM 2447 O HIS A 157 -1.917 -19.713 -17.159 1.00 38.62 O ATOM 2448 CB HIS A 157 -4.100 -18.226 -16.333 1.00 35.25 C ATOM 2449 CG HIS A 157 -4.856 -19.401 -16.882 1.00 62.41 C ATOM 2450 ND1 HIS A 157 -4.446 -20.703 -16.707 1.00 71.32 N ATOM 2451 CD2 HIS A 157 -6.000 -19.469 -17.607 1.00 32.22 C ATOM 2452 CE1 HIS A 157 -5.295 -21.519 -17.296 1.00 51.34 C ATOM 2453 NE2 HIS A 157 -6.247 -20.797 -17.849 1.00 51.33 N ATOM 2454 OXT HIS A 157 -0.932 -18.086 -18.254 1.00 38.62 O ATOM 0 H HIS A 157 -4.340 -18.019 -18.977 1.00 24.04 H new ATOM 0 HA HIS A 157 -2.701 -16.687 -16.883 1.00 32.12 H new ATOM 0 HB2 HIS A 157 -3.559 -18.541 -15.440 1.00 35.25 H new ATOM 0 HB3 HIS A 157 -4.813 -17.463 -16.021 1.00 35.25 H new ATOM 0 HD1 HIS A 157 -3.611 -20.992 -16.198 1.00 71.32 H new ATOM 0 HD2 HIS A 157 -6.603 -18.635 -17.933 1.00 32.22 H new ATOM 0 HE1 HIS A 157 -5.223 -22.596 -17.321 1.00 51.34 H new TER 2463 HIS A 157