USER MOD reduce.3.24.130724 H: found=0, std=0, add=1214, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1212 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 128 GLN : amide:sc= -0.272 K(o=-0.67,f=-1.2) USER MOD Set 1.2: A 131 ASN : amide:sc= -0.399 X(o=-0.67,f=-0.2) USER MOD Set 2.1: A 103 MET CE :methyl -174:sc= -3.7! (180deg=-3.71!) USER MOD Set 2.2: A 117 MET CE :methyl -118:sc= -0.45 (180deg=-2.16!) USER MOD Set 3.1: A 113 THR OG1 : rot 153:sc= 1.23 USER MOD Set 3.2: A 146 LYS NZ :NH3+ -168:sc= 0.924 (180deg=0.501) USER MOD Set 4.1: A 72 LYS NZ :NH3+ 175:sc= 0.795 (180deg=0) USER MOD Set 4.2: A 77 TYR OH : rot 86:sc= 1.42 USER MOD Set 4.3: A 79 TYR OH : rot 79:sc= 1.89 USER MOD Set 4.4: A 106 HIS : no HE2:sc= 1.42 K(o=9.2,f=-4.6!) USER MOD Set 4.5: A 107 CYS SG : rot 76:sc= 2.04 USER MOD Set 4.6: A 110 ASN : amide:sc= 1.6 K(o=9.2,f=6.5) USER MOD Set 5.1: A 16 TYR OH : rot 180:sc= 0.804 USER MOD Set 5.2: A 133 SER OG : rot -60:sc= -0.123 USER MOD Single : A 1 GLU N :NH3+ -171:sc=-0.00216 (180deg=-0.134) USER MOD Single : A 3 SER OG : rot -1:sc= 0.383 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN :FLIP amide:sc= -0.418 F(o=-1.2,f=-0.42) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 120:sc= -0.919 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -120:sc= 2.65 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 1.25 (180deg=1.17) USER MOD Single : A 27 THR OG1 : rot 69:sc= 1.21 USER MOD Single : A 29 SER OG : rot -160:sc= 0.0372 USER MOD Single : A 32 HIS : no HD1:sc= -1.81! C(o=-1.8!,f=-5.5!) USER MOD Single : A 33 CYS SG : rot 160:sc= 0 USER MOD Single : A 35 SER OG : rot -134:sc= 0.00422 USER MOD Single : A 38 CYS SG : rot 150:sc= 0 USER MOD Single : A 40 MET CE :methyl 143:sc= -0.4 (180deg=-0.86) USER MOD Single : A 49 LYS NZ :NH3+ -176:sc= 1.27 (180deg=1.2) USER MOD Single : A 50 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.21) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0471 (180deg=-0.359) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 61 GLN : amide:sc= 1.28 K(o=1.3,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.12) USER MOD Single : A 65 SER OG : rot 46:sc= 0.273 USER MOD Single : A 80 TYR OH : rot 130:sc= -0.0648 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 1.06 (180deg=0.712) USER MOD Single : A 88 SER OG : rot -36:sc= 0.35 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -1.79! C(o=-3!,f=-1.8!) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0.797 (180deg=0.78) USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.68! USER MOD Single : A 93 TYR OH : rot 180:sc= -0.807 USER MOD Single : A 95 ASN : amide:sc= -0.76 K(o=-0.76,f=-5!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc=-0.00984 (180deg=-0.0931) USER MOD Single : A 99 SER OG : rot 78:sc= 0.14 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -42:sc= 0.547 USER MOD Single : A 122 CYS SG : rot 62:sc= 1.19 USER MOD Single : A 135 MET CE :methyl 168:sc= -1.42 (180deg=-1.75) USER MOD Single : A 143 THR OG1 : rot -3:sc= 1.01 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 THR OG1 : rot 132:sc= -0.736 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.272 -29.614 -7.902 1.00 15.40 N ATOM 2 CA GLU A 1 -14.062 -28.614 -8.555 1.00 53.41 C ATOM 3 C GLU A 1 -13.598 -27.258 -8.086 1.00 50.33 C ATOM 4 O GLU A 1 -13.986 -26.782 -7.013 1.00 5.12 O ATOM 5 CB GLU A 1 -15.566 -28.810 -8.301 1.00 23.51 C ATOM 6 CG GLU A 1 -16.096 -30.158 -8.771 1.00 63.44 C ATOM 7 CD GLU A 1 -17.587 -30.292 -8.603 1.00 13.45 C ATOM 8 OE1 GLU A 1 -18.045 -30.671 -7.500 1.00 24.51 O ATOM 9 OE2 GLU A 1 -18.328 -30.022 -9.575 1.00 52.15 O ATOM 0 H1 GLU A 1 -13.471 -30.544 -8.323 1.00 15.40 H new ATOM 0 H2 GLU A 1 -12.263 -29.390 -8.018 1.00 15.40 H new ATOM 0 H3 GLU A 1 -13.507 -29.635 -6.889 1.00 15.40 H new ATOM 0 HA GLU A 1 -13.925 -28.699 -9.633 1.00 53.41 H new ATOM 0 HB2 GLU A 1 -15.762 -28.705 -7.234 1.00 23.51 H new ATOM 0 HB3 GLU A 1 -16.117 -28.017 -8.806 1.00 23.51 H new ATOM 0 HG2 GLU A 1 -15.840 -30.297 -9.821 1.00 63.44 H new ATOM 0 HG3 GLU A 1 -15.600 -30.952 -8.214 1.00 63.44 H new ATOM 16 N ALA A 2 -12.723 -26.672 -8.848 1.00 55.40 N ATOM 17 CA ALA A 2 -12.155 -25.412 -8.496 1.00 73.24 C ATOM 18 C ALA A 2 -12.390 -24.402 -9.585 1.00 33.34 C ATOM 19 O ALA A 2 -11.651 -24.334 -10.572 1.00 20.12 O ATOM 20 CB ALA A 2 -10.675 -25.552 -8.185 1.00 62.24 C ATOM 0 H ALA A 2 -12.385 -27.057 -9.730 1.00 55.40 H new ATOM 0 HA ALA A 2 -12.650 -25.054 -7.593 1.00 73.24 H new ATOM 0 HB1 ALA A 2 -10.265 -24.577 -7.919 1.00 62.24 H new ATOM 0 HB2 ALA A 2 -10.542 -26.241 -7.351 1.00 62.24 H new ATOM 0 HB3 ALA A 2 -10.154 -25.938 -9.061 1.00 62.24 H new ATOM 26 N SER A 3 -13.467 -23.694 -9.454 1.00 53.21 N ATOM 27 CA SER A 3 -13.837 -22.625 -10.352 1.00 12.45 C ATOM 28 C SER A 3 -14.716 -21.645 -9.576 1.00 2.53 C ATOM 29 O SER A 3 -15.568 -20.934 -10.141 1.00 74.53 O ATOM 30 CB SER A 3 -14.587 -23.207 -11.559 1.00 13.32 C ATOM 31 OG SER A 3 -13.760 -24.141 -12.262 1.00 14.44 O ATOM 0 H SER A 3 -14.138 -23.841 -8.700 1.00 53.21 H new ATOM 0 HA SER A 3 -12.956 -22.104 -10.727 1.00 12.45 H new ATOM 0 HB2 SER A 3 -15.499 -23.701 -11.224 1.00 13.32 H new ATOM 0 HB3 SER A 3 -14.888 -22.402 -12.230 1.00 13.32 H new ATOM 0 HG SER A 3 -12.884 -24.195 -11.826 1.00 14.44 H new ATOM 37 N SER A 4 -14.463 -21.587 -8.280 1.00 61.10 N ATOM 38 CA SER A 4 -15.231 -20.791 -7.373 1.00 72.31 C ATOM 39 C SER A 4 -14.641 -19.397 -7.250 1.00 63.24 C ATOM 40 O SER A 4 -13.735 -19.151 -6.440 1.00 23.45 O ATOM 41 CB SER A 4 -15.315 -21.484 -5.998 1.00 0.12 C ATOM 42 OG SER A 4 -16.102 -20.747 -5.075 1.00 3.10 O ATOM 0 H SER A 4 -13.705 -22.103 -7.834 1.00 61.10 H new ATOM 0 HA SER A 4 -16.242 -20.689 -7.766 1.00 72.31 H new ATOM 0 HB2 SER A 4 -15.739 -22.481 -6.120 1.00 0.12 H new ATOM 0 HB3 SER A 4 -14.310 -21.612 -5.595 1.00 0.12 H new ATOM 0 HG SER A 4 -16.131 -21.221 -4.218 1.00 3.10 H new ATOM 48 N LEU A 5 -15.114 -18.515 -8.089 1.00 73.11 N ATOM 49 CA LEU A 5 -14.719 -17.129 -8.088 1.00 60.24 C ATOM 50 C LEU A 5 -15.975 -16.310 -8.311 1.00 12.35 C ATOM 51 O LEU A 5 -16.508 -16.281 -9.421 1.00 2.22 O ATOM 52 CB LEU A 5 -13.696 -16.841 -9.215 1.00 1.03 C ATOM 53 CG LEU A 5 -12.355 -17.608 -9.172 1.00 31.14 C ATOM 54 CD1 LEU A 5 -11.501 -17.266 -10.382 1.00 31.42 C ATOM 55 CD2 LEU A 5 -11.586 -17.291 -7.897 1.00 24.43 C ATOM 0 H LEU A 5 -15.800 -18.743 -8.809 1.00 73.11 H new ATOM 0 HA LEU A 5 -14.241 -16.874 -7.142 1.00 60.24 H new ATOM 0 HB2 LEU A 5 -14.177 -17.057 -10.169 1.00 1.03 H new ATOM 0 HB3 LEU A 5 -13.474 -15.774 -9.204 1.00 1.03 H new ATOM 0 HG LEU A 5 -12.583 -18.674 -9.188 1.00 31.14 H new ATOM 0 HD11 LEU A 5 -10.562 -17.817 -10.332 1.00 31.42 H new ATOM 0 HD12 LEU A 5 -12.034 -17.540 -11.293 1.00 31.42 H new ATOM 0 HD13 LEU A 5 -11.294 -16.196 -10.391 1.00 31.42 H new ATOM 0 HD21 LEU A 5 -10.646 -17.844 -7.892 1.00 24.43 H new ATOM 0 HD22 LEU A 5 -11.378 -16.222 -7.854 1.00 24.43 H new ATOM 0 HD23 LEU A 5 -12.182 -17.580 -7.031 1.00 24.43 H new ATOM 67 N ASN A 6 -16.484 -15.701 -7.272 1.00 20.10 N ATOM 68 CA ASN A 6 -17.730 -14.948 -7.391 1.00 30.53 C ATOM 69 C ASN A 6 -17.461 -13.477 -7.582 1.00 52.41 C ATOM 70 O ASN A 6 -18.375 -12.698 -7.837 1.00 31.52 O ATOM 71 CB ASN A 6 -18.674 -15.180 -6.192 1.00 41.23 C ATOM 72 CG ASN A 6 -18.108 -14.715 -4.858 1.00 54.42 C ATOM 73 OD1 ASN A 6 -18.396 -13.495 -4.481 1.00 75.20 O flip ATOM 74 ND2 ASN A 6 -17.427 -15.468 -4.167 1.00 61.04 N flip ATOM 0 H ASN A 6 -16.070 -15.704 -6.340 1.00 20.10 H new ATOM 0 HA ASN A 6 -18.239 -15.324 -8.278 1.00 30.53 H new ATOM 0 HB2 ASN A 6 -19.614 -14.660 -6.377 1.00 41.23 H new ATOM 0 HB3 ASN A 6 -18.906 -16.243 -6.126 1.00 41.23 H new ATOM 0 HD21 ASN A 6 -17.222 -16.413 -4.492 1.00 61.04 H new ATOM 0 HD22 ASN A 6 -17.066 -15.149 -3.268 1.00 61.04 H new ATOM 81 N GLU A 7 -16.219 -13.096 -7.452 1.00 51.04 N ATOM 82 CA GLU A 7 -15.836 -11.729 -7.655 1.00 30.11 C ATOM 83 C GLU A 7 -14.852 -11.614 -8.770 1.00 53.21 C ATOM 84 O GLU A 7 -14.046 -12.520 -9.009 1.00 63.12 O ATOM 85 CB GLU A 7 -15.304 -11.081 -6.381 1.00 15.43 C ATOM 86 CG GLU A 7 -16.346 -10.995 -5.303 1.00 33.30 C ATOM 87 CD GLU A 7 -15.876 -10.285 -4.070 1.00 33.31 C ATOM 88 OE1 GLU A 7 -15.155 -10.900 -3.260 1.00 63.24 O ATOM 89 OE2 GLU A 7 -16.241 -9.095 -3.874 1.00 31.51 O ATOM 0 H GLU A 7 -15.451 -13.720 -7.204 1.00 51.04 H new ATOM 0 HA GLU A 7 -16.736 -11.181 -7.933 1.00 30.11 H new ATOM 0 HB2 GLU A 7 -14.452 -11.654 -6.014 1.00 15.43 H new ATOM 0 HB3 GLU A 7 -14.940 -10.080 -6.611 1.00 15.43 H new ATOM 0 HG2 GLU A 7 -17.223 -10.480 -5.697 1.00 33.30 H new ATOM 0 HG3 GLU A 7 -16.662 -12.003 -5.034 1.00 33.30 H new ATOM 96 N ASP A 8 -14.923 -10.522 -9.446 1.00 73.14 N ATOM 97 CA ASP A 8 -14.079 -10.235 -10.580 1.00 43.53 C ATOM 98 C ASP A 8 -13.727 -8.759 -10.522 1.00 22.41 C ATOM 99 O ASP A 8 -14.581 -7.953 -10.146 1.00 52.22 O ATOM 100 CB ASP A 8 -14.835 -10.596 -11.885 1.00 33.34 C ATOM 101 CG ASP A 8 -14.039 -10.387 -13.157 1.00 44.22 C ATOM 102 OD1 ASP A 8 -13.110 -11.186 -13.432 1.00 42.13 O ATOM 103 OD2 ASP A 8 -14.342 -9.437 -13.915 1.00 41.53 O ATOM 0 H ASP A 8 -15.584 -9.776 -9.230 1.00 73.14 H new ATOM 0 HA ASP A 8 -13.162 -10.824 -10.561 1.00 43.53 H new ATOM 0 HB2 ASP A 8 -15.143 -11.640 -11.833 1.00 33.34 H new ATOM 0 HB3 ASP A 8 -15.744 -9.998 -11.939 1.00 33.34 H new ATOM 108 N PRO A 9 -12.462 -8.384 -10.838 1.00 52.15 N ATOM 109 CA PRO A 9 -11.980 -6.993 -10.756 1.00 70.03 C ATOM 110 C PRO A 9 -12.883 -5.979 -11.471 1.00 64.34 C ATOM 111 O PRO A 9 -13.648 -6.321 -12.378 1.00 52.52 O ATOM 112 CB PRO A 9 -10.586 -7.036 -11.414 1.00 31.30 C ATOM 113 CG PRO A 9 -10.502 -8.372 -12.071 1.00 30.02 C ATOM 114 CD PRO A 9 -11.396 -9.281 -11.284 1.00 32.25 C ATOM 0 HA PRO A 9 -11.968 -6.654 -9.720 1.00 70.03 H new ATOM 0 HB2 PRO A 9 -10.469 -6.232 -12.141 1.00 31.30 H new ATOM 0 HB3 PRO A 9 -9.797 -6.912 -10.672 1.00 31.30 H new ATOM 0 HG2 PRO A 9 -10.823 -8.315 -13.111 1.00 30.02 H new ATOM 0 HG3 PRO A 9 -9.476 -8.741 -12.073 1.00 30.02 H new ATOM 0 HD2 PRO A 9 -11.783 -10.096 -11.896 1.00 32.25 H new ATOM 0 HD3 PRO A 9 -10.872 -9.735 -10.443 1.00 32.25 H new ATOM 122 N GLU A 10 -12.771 -4.750 -11.073 1.00 33.11 N ATOM 123 CA GLU A 10 -13.578 -3.698 -11.595 1.00 34.11 C ATOM 124 C GLU A 10 -12.750 -2.445 -11.653 1.00 22.14 C ATOM 125 O GLU A 10 -12.518 -1.797 -10.635 1.00 10.13 O ATOM 126 CB GLU A 10 -14.811 -3.479 -10.713 1.00 14.43 C ATOM 127 CG GLU A 10 -15.730 -2.369 -11.187 1.00 13.31 C ATOM 128 CD GLU A 10 -16.882 -2.139 -10.252 1.00 11.43 C ATOM 129 OE1 GLU A 10 -17.926 -2.822 -10.392 1.00 15.02 O ATOM 130 OE2 GLU A 10 -16.771 -1.265 -9.361 1.00 33.12 O ATOM 0 H GLU A 10 -12.104 -4.447 -10.364 1.00 33.11 H new ATOM 0 HA GLU A 10 -13.923 -3.962 -12.595 1.00 34.11 H new ATOM 0 HB2 GLU A 10 -15.378 -4.408 -10.665 1.00 14.43 H new ATOM 0 HB3 GLU A 10 -14.482 -3.254 -9.699 1.00 14.43 H new ATOM 0 HG2 GLU A 10 -15.158 -1.446 -11.288 1.00 13.31 H new ATOM 0 HG3 GLU A 10 -16.113 -2.617 -12.177 1.00 13.31 H new ATOM 137 N GLY A 11 -12.243 -2.170 -12.807 1.00 45.51 N ATOM 138 CA GLY A 11 -11.486 -0.971 -13.028 1.00 55.52 C ATOM 139 C GLY A 11 -10.295 -1.224 -13.900 1.00 53.13 C ATOM 140 O GLY A 11 -9.783 -2.352 -13.938 1.00 50.13 O ATOM 0 H GLY A 11 -12.338 -2.767 -13.629 1.00 45.51 H new ATOM 0 HA2 GLY A 11 -12.123 -0.218 -13.491 1.00 55.52 H new ATOM 0 HA3 GLY A 11 -11.157 -0.566 -12.071 1.00 55.52 H new ATOM 144 N SER A 12 -9.853 -0.209 -14.605 1.00 65.24 N ATOM 145 CA SER A 12 -8.703 -0.347 -15.460 1.00 34.13 C ATOM 146 C SER A 12 -7.450 -0.108 -14.641 1.00 44.41 C ATOM 147 O SER A 12 -6.533 -0.934 -14.609 1.00 53.11 O ATOM 148 CB SER A 12 -8.788 0.622 -16.654 1.00 74.25 C ATOM 149 OG SER A 12 -7.712 0.431 -17.564 1.00 31.31 O ATOM 0 H SER A 12 -10.274 0.720 -14.602 1.00 65.24 H new ATOM 0 HA SER A 12 -8.672 -1.356 -15.870 1.00 34.13 H new ATOM 0 HB2 SER A 12 -9.735 0.476 -17.174 1.00 74.25 H new ATOM 0 HB3 SER A 12 -8.779 1.649 -16.290 1.00 74.25 H new ATOM 0 HG SER A 12 -7.799 1.061 -18.310 1.00 31.31 H new ATOM 155 N ARG A 13 -7.422 1.009 -13.976 1.00 50.31 N ATOM 156 CA ARG A 13 -6.338 1.353 -13.109 1.00 31.13 C ATOM 157 C ARG A 13 -6.823 1.686 -11.738 1.00 34.05 C ATOM 158 O ARG A 13 -6.891 0.823 -10.893 1.00 21.10 O ATOM 159 CB ARG A 13 -5.486 2.481 -13.677 1.00 62.21 C ATOM 160 CG ARG A 13 -4.766 2.100 -14.929 1.00 13.42 C ATOM 161 CD ARG A 13 -3.713 1.052 -14.639 1.00 63.13 C ATOM 162 NE ARG A 13 -3.168 0.510 -15.859 1.00 12.55 N ATOM 163 CZ ARG A 13 -2.574 -0.662 -15.970 1.00 2.04 C ATOM 164 NH1 ARG A 13 -2.449 -1.467 -14.909 1.00 33.53 N ATOM 165 NH2 ARG A 13 -2.122 -1.046 -17.141 1.00 21.20 N ATOM 0 H ARG A 13 -8.159 1.713 -14.022 1.00 50.31 H new ATOM 0 HA ARG A 13 -5.700 0.472 -13.036 1.00 31.13 H new ATOM 0 HB2 ARG A 13 -6.123 3.342 -13.879 1.00 62.21 H new ATOM 0 HB3 ARG A 13 -4.758 2.791 -12.927 1.00 62.21 H new ATOM 0 HG2 ARG A 13 -5.476 1.717 -15.661 1.00 13.42 H new ATOM 0 HG3 ARG A 13 -4.299 2.981 -15.369 1.00 13.42 H new ATOM 0 HD2 ARG A 13 -2.913 1.492 -14.044 1.00 63.13 H new ATOM 0 HD3 ARG A 13 -4.149 0.249 -14.044 1.00 63.13 H new ATOM 0 HE ARG A 13 -3.248 1.078 -16.702 1.00 12.55 H new ATOM 0 HH11 ARG A 13 -2.815 -1.176 -14.002 1.00 33.53 H new ATOM 0 HH12 ARG A 13 -1.988 -2.371 -15.007 1.00 33.53 H new ATOM 0 HH21 ARG A 13 -2.232 -0.440 -17.954 1.00 21.20 H new ATOM 0 HH22 ARG A 13 -1.661 -1.951 -17.238 1.00 21.20 H new ATOM 179 N ILE A 14 -7.224 2.912 -11.535 1.00 33.13 N ATOM 180 CA ILE A 14 -7.608 3.353 -10.228 1.00 65.13 C ATOM 181 C ILE A 14 -9.103 3.374 -10.078 1.00 65.51 C ATOM 182 O ILE A 14 -9.818 4.022 -10.841 1.00 13.40 O ATOM 183 CB ILE A 14 -7.034 4.744 -9.900 1.00 21.24 C ATOM 184 CG1 ILE A 14 -5.511 4.742 -10.045 1.00 72.41 C ATOM 185 CG2 ILE A 14 -7.435 5.165 -8.490 1.00 61.42 C ATOM 186 CD1 ILE A 14 -4.861 6.067 -9.740 1.00 71.01 C ATOM 0 H ILE A 14 -7.292 3.623 -12.263 1.00 33.13 H new ATOM 0 HA ILE A 14 -7.191 2.636 -9.521 1.00 65.13 H new ATOM 0 HB ILE A 14 -7.446 5.464 -10.607 1.00 21.24 H new ATOM 0 HG12 ILE A 14 -5.095 3.984 -9.381 1.00 72.41 H new ATOM 0 HG13 ILE A 14 -5.254 4.450 -11.063 1.00 72.41 H new ATOM 0 HG21 ILE A 14 -7.022 6.150 -8.273 1.00 61.42 H new ATOM 0 HG22 ILE A 14 -8.522 5.203 -8.417 1.00 61.42 H new ATOM 0 HG23 ILE A 14 -7.048 4.443 -7.771 1.00 61.42 H new ATOM 0 HD11 ILE A 14 -3.782 5.980 -9.866 1.00 71.01 H new ATOM 0 HD12 ILE A 14 -5.246 6.826 -10.420 1.00 71.01 H new ATOM 0 HD13 ILE A 14 -5.084 6.354 -8.712 1.00 71.01 H new ATOM 198 N THR A 15 -9.555 2.663 -9.117 1.00 52.41 N ATOM 199 CA THR A 15 -10.938 2.599 -8.793 1.00 2.45 C ATOM 200 C THR A 15 -11.098 3.106 -7.374 1.00 3.24 C ATOM 201 O THR A 15 -10.303 2.754 -6.499 1.00 21.11 O ATOM 202 CB THR A 15 -11.419 1.160 -8.911 1.00 5.41 C ATOM 203 OG1 THR A 15 -11.034 0.680 -10.207 1.00 33.12 O ATOM 204 CG2 THR A 15 -12.935 1.085 -8.775 1.00 24.33 C ATOM 0 H THR A 15 -8.963 2.092 -8.514 1.00 52.41 H new ATOM 0 HA THR A 15 -11.532 3.209 -9.473 1.00 2.45 H new ATOM 0 HB THR A 15 -10.978 0.556 -8.119 1.00 5.41 H new ATOM 0 HG1 THR A 15 -10.442 -0.095 -10.106 1.00 33.12 H new ATOM 0 HG21 THR A 15 -13.257 0.047 -8.862 1.00 24.33 H new ATOM 0 HG22 THR A 15 -13.233 1.477 -7.802 1.00 24.33 H new ATOM 0 HG23 THR A 15 -13.401 1.677 -9.563 1.00 24.33 H new ATOM 212 N TYR A 16 -12.079 3.934 -7.150 1.00 44.13 N ATOM 213 CA TYR A 16 -12.252 4.547 -5.865 1.00 1.14 C ATOM 214 C TYR A 16 -13.370 3.899 -5.097 1.00 25.35 C ATOM 215 O TYR A 16 -14.490 3.735 -5.604 1.00 64.03 O ATOM 216 CB TYR A 16 -12.520 6.036 -6.016 1.00 12.14 C ATOM 217 CG TYR A 16 -11.461 6.751 -6.803 1.00 63.32 C ATOM 218 CD1 TYR A 16 -10.260 7.104 -6.218 1.00 42.24 C ATOM 219 CD2 TYR A 16 -11.655 7.058 -8.144 1.00 72.33 C ATOM 220 CE1 TYR A 16 -9.291 7.744 -6.938 1.00 3.02 C ATOM 221 CE2 TYR A 16 -10.684 7.696 -8.872 1.00 71.20 C ATOM 222 CZ TYR A 16 -9.506 8.037 -8.264 1.00 63.33 C ATOM 223 OH TYR A 16 -8.529 8.665 -8.981 1.00 52.43 O ATOM 0 H TYR A 16 -12.775 4.201 -7.846 1.00 44.13 H new ATOM 0 HA TYR A 16 -11.327 4.407 -5.305 1.00 1.14 H new ATOM 0 HB2 TYR A 16 -13.484 6.177 -6.505 1.00 12.14 H new ATOM 0 HB3 TYR A 16 -12.595 6.487 -5.027 1.00 12.14 H new ATOM 0 HD1 TYR A 16 -10.085 6.871 -5.178 1.00 42.24 H new ATOM 0 HD2 TYR A 16 -12.586 6.790 -8.621 1.00 72.33 H new ATOM 0 HE1 TYR A 16 -8.359 8.019 -6.467 1.00 3.02 H new ATOM 0 HE2 TYR A 16 -10.847 7.927 -9.914 1.00 71.20 H new ATOM 0 HH TYR A 16 -8.835 8.800 -9.902 1.00 52.43 H new ATOM 233 N VAL A 17 -13.067 3.526 -3.898 1.00 52.34 N ATOM 234 CA VAL A 17 -14.021 2.949 -2.993 1.00 52.31 C ATOM 235 C VAL A 17 -13.918 3.717 -1.699 1.00 22.11 C ATOM 236 O VAL A 17 -12.828 3.928 -1.196 1.00 62.55 O ATOM 237 CB VAL A 17 -13.710 1.447 -2.713 1.00 13.02 C ATOM 238 CG1 VAL A 17 -14.747 0.828 -1.787 1.00 2.21 C ATOM 239 CG2 VAL A 17 -13.614 0.651 -4.001 1.00 14.12 C ATOM 0 H VAL A 17 -12.130 3.613 -3.506 1.00 52.34 H new ATOM 0 HA VAL A 17 -15.018 3.005 -3.429 1.00 52.31 H new ATOM 0 HB VAL A 17 -12.741 1.409 -2.215 1.00 13.02 H new ATOM 0 HG11 VAL A 17 -14.500 -0.219 -1.613 1.00 2.21 H new ATOM 0 HG12 VAL A 17 -14.752 1.363 -0.837 1.00 2.21 H new ATOM 0 HG13 VAL A 17 -15.733 0.897 -2.247 1.00 2.21 H new ATOM 0 HG21 VAL A 17 -13.396 -0.392 -3.769 1.00 14.12 H new ATOM 0 HG22 VAL A 17 -14.560 0.713 -4.539 1.00 14.12 H new ATOM 0 HG23 VAL A 17 -12.816 1.059 -4.622 1.00 14.12 H new ATOM 249 N LYS A 18 -15.008 4.164 -1.186 1.00 53.11 N ATOM 250 CA LYS A 18 -14.983 4.886 0.037 1.00 45.41 C ATOM 251 C LYS A 18 -15.436 4.016 1.195 1.00 63.43 C ATOM 252 O LYS A 18 -16.602 3.591 1.280 1.00 43.23 O ATOM 253 CB LYS A 18 -15.753 6.208 -0.072 1.00 71.33 C ATOM 254 CG LYS A 18 -17.187 6.115 -0.551 1.00 21.11 C ATOM 255 CD LYS A 18 -17.781 7.505 -0.667 1.00 40.30 C ATOM 256 CE LYS A 18 -19.199 7.477 -1.184 1.00 3.44 C ATOM 257 NZ LYS A 18 -19.748 8.840 -1.333 1.00 24.22 N ATOM 0 H LYS A 18 -15.934 4.042 -1.596 1.00 53.11 H new ATOM 0 HA LYS A 18 -13.951 5.163 0.250 1.00 45.41 H new ATOM 0 HB2 LYS A 18 -15.750 6.687 0.907 1.00 71.33 H new ATOM 0 HB3 LYS A 18 -15.208 6.866 -0.750 1.00 71.33 H new ATOM 0 HG2 LYS A 18 -17.225 5.611 -1.517 1.00 21.11 H new ATOM 0 HG3 LYS A 18 -17.774 5.516 0.145 1.00 21.11 H new ATOM 0 HD2 LYS A 18 -17.761 7.989 0.309 1.00 40.30 H new ATOM 0 HD3 LYS A 18 -17.164 8.107 -1.334 1.00 40.30 H new ATOM 0 HE2 LYS A 18 -19.227 6.965 -2.146 1.00 3.44 H new ATOM 0 HE3 LYS A 18 -19.825 6.904 -0.500 1.00 3.44 H new ATOM 0 HZ1 LYS A 18 -20.723 8.784 -1.690 1.00 24.22 H new ATOM 0 HZ2 LYS A 18 -19.744 9.319 -0.410 1.00 24.22 H new ATOM 0 HZ3 LYS A 18 -19.164 9.378 -2.004 1.00 24.22 H new ATOM 271 N GLY A 19 -14.509 3.741 2.067 1.00 71.53 N ATOM 272 CA GLY A 19 -14.758 2.909 3.194 1.00 34.33 C ATOM 273 C GLY A 19 -13.508 2.727 4.001 1.00 64.23 C ATOM 274 O GLY A 19 -12.706 3.673 4.121 1.00 61.41 O ATOM 0 H GLY A 19 -13.554 4.094 2.010 1.00 71.53 H new ATOM 0 HA2 GLY A 19 -15.537 3.352 3.815 1.00 34.33 H new ATOM 0 HA3 GLY A 19 -15.128 1.939 2.862 1.00 34.33 H new ATOM 278 N ASP A 20 -13.318 1.550 4.543 1.00 14.20 N ATOM 279 CA ASP A 20 -12.174 1.259 5.332 1.00 34.25 C ATOM 280 C ASP A 20 -11.073 0.683 4.463 1.00 72.34 C ATOM 281 O ASP A 20 -11.289 0.375 3.290 1.00 14.11 O ATOM 282 CB ASP A 20 -12.518 0.224 6.401 1.00 61.32 C ATOM 283 CG ASP A 20 -12.801 -1.154 5.845 1.00 11.22 C ATOM 284 OD1 ASP A 20 -11.837 -1.896 5.584 1.00 1.01 O ATOM 285 OD2 ASP A 20 -13.986 -1.517 5.675 1.00 4.24 O ATOM 0 H ASP A 20 -13.965 0.768 4.441 1.00 14.20 H new ATOM 0 HA ASP A 20 -11.842 2.187 5.799 1.00 34.25 H new ATOM 0 HB2 ASP A 20 -11.692 0.158 7.109 1.00 61.32 H new ATOM 0 HB3 ASP A 20 -13.389 0.567 6.959 1.00 61.32 H new ATOM 290 N LEU A 21 -9.915 0.517 5.039 1.00 23.13 N ATOM 291 CA LEU A 21 -8.819 -0.111 4.360 1.00 12.35 C ATOM 292 C LEU A 21 -8.193 -1.162 5.275 1.00 55.12 C ATOM 293 O LEU A 21 -7.081 -1.648 5.064 1.00 44.21 O ATOM 294 CB LEU A 21 -7.826 0.951 3.942 1.00 31.21 C ATOM 295 CG LEU A 21 -6.637 0.489 3.097 1.00 73.41 C ATOM 296 CD1 LEU A 21 -7.094 -0.423 1.967 1.00 32.52 C ATOM 297 CD2 LEU A 21 -5.996 1.687 2.500 1.00 0.34 C ATOM 0 H LEU A 21 -9.706 0.814 5.992 1.00 23.13 H new ATOM 0 HA LEU A 21 -9.160 -0.622 3.460 1.00 12.35 H new ATOM 0 HB2 LEU A 21 -8.363 1.717 3.383 1.00 31.21 H new ATOM 0 HB3 LEU A 21 -7.438 1.427 4.843 1.00 31.21 H new ATOM 0 HG LEU A 21 -5.943 -0.060 3.734 1.00 73.41 H new ATOM 0 HD11 LEU A 21 -6.230 -0.737 1.381 1.00 32.52 H new ATOM 0 HD12 LEU A 21 -7.588 -1.300 2.385 1.00 32.52 H new ATOM 0 HD13 LEU A 21 -7.791 0.115 1.325 1.00 32.52 H new ATOM 0 HD21 LEU A 21 -5.145 1.380 1.893 1.00 0.34 H new ATOM 0 HD22 LEU A 21 -6.718 2.212 1.874 1.00 0.34 H new ATOM 0 HD23 LEU A 21 -5.654 2.351 3.294 1.00 0.34 H new ATOM 309 N PHE A 22 -8.952 -1.552 6.262 1.00 62.41 N ATOM 310 CA PHE A 22 -8.489 -2.510 7.250 1.00 21.14 C ATOM 311 C PHE A 22 -9.186 -3.849 7.113 1.00 11.02 C ATOM 312 O PHE A 22 -8.603 -4.890 7.410 1.00 42.01 O ATOM 313 CB PHE A 22 -8.607 -1.939 8.676 1.00 11.01 C ATOM 314 CG PHE A 22 -7.681 -0.770 8.908 1.00 62.45 C ATOM 315 CD1 PHE A 22 -7.964 0.465 8.362 1.00 63.31 C ATOM 316 CD2 PHE A 22 -6.511 -0.918 9.632 1.00 41.02 C ATOM 317 CE1 PHE A 22 -7.113 1.531 8.535 1.00 72.23 C ATOM 318 CE2 PHE A 22 -5.658 0.138 9.800 1.00 63.13 C ATOM 319 CZ PHE A 22 -5.958 1.366 9.253 1.00 5.20 C ATOM 0 H PHE A 22 -9.905 -1.222 6.411 1.00 62.41 H new ATOM 0 HA PHE A 22 -7.431 -2.692 7.059 1.00 21.14 H new ATOM 0 HB2 PHE A 22 -9.635 -1.625 8.854 1.00 11.01 H new ATOM 0 HB3 PHE A 22 -8.384 -2.724 9.398 1.00 11.01 H new ATOM 0 HD1 PHE A 22 -8.870 0.597 7.789 1.00 63.31 H new ATOM 0 HD2 PHE A 22 -6.269 -1.876 10.068 1.00 41.02 H new ATOM 0 HE1 PHE A 22 -7.354 2.493 8.107 1.00 72.23 H new ATOM 0 HE2 PHE A 22 -4.746 0.008 10.364 1.00 63.13 H new ATOM 0 HZ PHE A 22 -5.283 2.198 9.390 1.00 5.20 H new ATOM 329 N ALA A 23 -10.406 -3.826 6.622 1.00 61.11 N ATOM 330 CA ALA A 23 -11.191 -5.035 6.411 1.00 13.40 C ATOM 331 C ALA A 23 -11.086 -5.470 4.950 1.00 32.14 C ATOM 332 O ALA A 23 -11.841 -6.323 4.474 1.00 72.43 O ATOM 333 CB ALA A 23 -12.639 -4.773 6.793 1.00 40.21 C ATOM 0 H ALA A 23 -10.888 -2.968 6.355 1.00 61.11 H new ATOM 0 HA ALA A 23 -10.805 -5.838 7.038 1.00 13.40 H new ATOM 0 HB1 ALA A 23 -13.226 -5.678 6.635 1.00 40.21 H new ATOM 0 HB2 ALA A 23 -12.692 -4.485 7.843 1.00 40.21 H new ATOM 0 HB3 ALA A 23 -13.038 -3.969 6.175 1.00 40.21 H new ATOM 339 N CYS A 24 -10.124 -4.886 4.261 1.00 5.35 N ATOM 340 CA CYS A 24 -9.853 -5.166 2.864 1.00 21.12 C ATOM 341 C CYS A 24 -9.415 -6.634 2.658 1.00 65.01 C ATOM 342 O CYS A 24 -8.728 -7.209 3.514 1.00 62.44 O ATOM 343 CB CYS A 24 -8.791 -4.188 2.358 1.00 15.10 C ATOM 344 SG CYS A 24 -7.311 -4.120 3.395 1.00 42.41 S ATOM 0 H CYS A 24 -9.497 -4.190 4.665 1.00 5.35 H new ATOM 0 HA CYS A 24 -10.768 -5.030 2.287 1.00 21.12 H new ATOM 0 HB2 CYS A 24 -8.502 -4.471 1.346 1.00 15.10 H new ATOM 0 HB3 CYS A 24 -9.227 -3.191 2.298 1.00 15.10 H new ATOM 0 HG CYS A 24 -7.149 -2.910 3.842 1.00 42.41 H new ATOM 350 N PRO A 25 -9.823 -7.249 1.527 1.00 4.54 N ATOM 351 CA PRO A 25 -9.542 -8.664 1.231 1.00 12.53 C ATOM 352 C PRO A 25 -8.049 -8.983 1.060 1.00 20.12 C ATOM 353 O PRO A 25 -7.247 -8.139 0.651 1.00 14.01 O ATOM 354 CB PRO A 25 -10.292 -8.912 -0.084 1.00 52.11 C ATOM 355 CG PRO A 25 -10.431 -7.568 -0.699 1.00 71.23 C ATOM 356 CD PRO A 25 -10.599 -6.613 0.440 1.00 44.12 C ATOM 0 HA PRO A 25 -9.857 -9.301 2.058 1.00 12.53 H new ATOM 0 HB2 PRO A 25 -9.738 -9.589 -0.734 1.00 52.11 H new ATOM 0 HB3 PRO A 25 -11.266 -9.368 0.096 1.00 52.11 H new ATOM 0 HG2 PRO A 25 -9.552 -7.317 -1.293 1.00 71.23 H new ATOM 0 HG3 PRO A 25 -11.290 -7.532 -1.369 1.00 71.23 H new ATOM 0 HD2 PRO A 25 -10.214 -5.623 0.196 1.00 44.12 H new ATOM 0 HD3 PRO A 25 -11.647 -6.490 0.712 1.00 44.12 H new ATOM 364 N LYS A 26 -7.705 -10.229 1.344 1.00 74.00 N ATOM 365 CA LYS A 26 -6.342 -10.726 1.262 1.00 14.14 C ATOM 366 C LYS A 26 -5.823 -10.849 -0.167 1.00 0.21 C ATOM 367 O LYS A 26 -4.631 -11.040 -0.385 1.00 71.11 O ATOM 368 CB LYS A 26 -6.220 -12.034 1.985 1.00 61.24 C ATOM 369 CG LYS A 26 -6.377 -11.863 3.475 1.00 22.22 C ATOM 370 CD LYS A 26 -6.380 -13.173 4.184 1.00 51.31 C ATOM 371 CE LYS A 26 -5.080 -13.955 3.993 1.00 50.55 C ATOM 372 NZ LYS A 26 -5.107 -15.266 4.680 1.00 4.43 N ATOM 0 H LYS A 26 -8.377 -10.935 1.643 1.00 74.00 H new ATOM 0 HA LYS A 26 -5.712 -9.981 1.748 1.00 14.14 H new ATOM 0 HB2 LYS A 26 -6.977 -12.726 1.616 1.00 61.24 H new ATOM 0 HB3 LYS A 26 -5.249 -12.480 1.770 1.00 61.24 H new ATOM 0 HG2 LYS A 26 -5.565 -11.244 3.858 1.00 22.22 H new ATOM 0 HG3 LYS A 26 -7.307 -11.334 3.684 1.00 22.22 H new ATOM 0 HD2 LYS A 26 -6.544 -13.004 5.248 1.00 51.31 H new ATOM 0 HD3 LYS A 26 -7.216 -13.773 3.824 1.00 51.31 H new ATOM 0 HE2 LYS A 26 -4.904 -14.109 2.928 1.00 50.55 H new ATOM 0 HE3 LYS A 26 -4.245 -13.366 4.372 1.00 50.55 H new ATOM 0 HZ1 LYS A 26 -4.398 -15.896 4.254 1.00 4.43 H new ATOM 0 HZ2 LYS A 26 -4.891 -15.134 5.689 1.00 4.43 H new ATOM 0 HZ3 LYS A 26 -6.051 -15.691 4.581 1.00 4.43 H new ATOM 386 N THR A 27 -6.721 -10.770 -1.124 1.00 54.13 N ATOM 387 CA THR A 27 -6.374 -10.897 -2.528 1.00 33.54 C ATOM 388 C THR A 27 -5.793 -9.603 -3.085 1.00 42.23 C ATOM 389 O THR A 27 -5.114 -9.591 -4.125 1.00 71.42 O ATOM 390 CB THR A 27 -7.645 -11.224 -3.295 1.00 20.34 C ATOM 391 OG1 THR A 27 -8.699 -10.309 -2.875 1.00 34.05 O ATOM 392 CG2 THR A 27 -8.075 -12.655 -3.036 1.00 71.20 C ATOM 0 H THR A 27 -7.715 -10.616 -0.954 1.00 54.13 H new ATOM 0 HA THR A 27 -5.622 -11.679 -2.633 1.00 33.54 H new ATOM 0 HB THR A 27 -7.456 -11.112 -4.363 1.00 20.34 H new ATOM 0 HG1 THR A 27 -8.493 -9.405 -3.192 1.00 34.05 H new ATOM 0 HG21 THR A 27 -8.987 -12.868 -3.595 1.00 71.20 H new ATOM 0 HG22 THR A 27 -7.286 -13.336 -3.356 1.00 71.20 H new ATOM 0 HG23 THR A 27 -8.262 -12.792 -1.971 1.00 71.20 H new ATOM 400 N ASP A 28 -6.013 -8.553 -2.368 1.00 45.32 N ATOM 401 CA ASP A 28 -5.590 -7.243 -2.758 1.00 12.54 C ATOM 402 C ASP A 28 -4.521 -6.794 -1.824 1.00 12.11 C ATOM 403 O ASP A 28 -4.767 -6.622 -0.626 1.00 75.51 O ATOM 404 CB ASP A 28 -6.780 -6.263 -2.699 1.00 41.54 C ATOM 405 CG ASP A 28 -7.894 -6.596 -3.684 1.00 73.23 C ATOM 406 OD1 ASP A 28 -8.539 -7.674 -3.544 1.00 25.24 O ATOM 407 OD2 ASP A 28 -8.143 -5.789 -4.615 1.00 21.31 O ATOM 0 H ASP A 28 -6.503 -8.578 -1.474 1.00 45.32 H new ATOM 0 HA ASP A 28 -5.210 -7.266 -3.779 1.00 12.54 H new ATOM 0 HB2 ASP A 28 -7.189 -6.261 -1.688 1.00 41.54 H new ATOM 0 HB3 ASP A 28 -6.419 -5.254 -2.899 1.00 41.54 H new ATOM 412 N SER A 29 -3.328 -6.617 -2.345 1.00 53.43 N ATOM 413 CA SER A 29 -2.218 -6.167 -1.548 1.00 34.52 C ATOM 414 C SER A 29 -2.458 -4.730 -1.115 1.00 40.34 C ATOM 415 O SER A 29 -3.394 -4.092 -1.584 1.00 34.14 O ATOM 416 CB SER A 29 -0.905 -6.353 -2.301 1.00 21.32 C ATOM 417 OG SER A 29 -0.676 -7.736 -2.552 1.00 44.34 O ATOM 0 H SER A 29 -3.104 -6.781 -3.327 1.00 53.43 H new ATOM 0 HA SER A 29 -2.137 -6.772 -0.645 1.00 34.52 H new ATOM 0 HB2 SER A 29 -0.936 -5.805 -3.243 1.00 21.32 H new ATOM 0 HB3 SER A 29 -0.081 -5.940 -1.719 1.00 21.32 H new ATOM 0 HG SER A 29 0.275 -7.882 -2.737 1.00 44.34 H new ATOM 423 N LEU A 30 -1.656 -4.211 -0.260 1.00 42.31 N ATOM 424 CA LEU A 30 -1.984 -2.936 0.294 1.00 52.42 C ATOM 425 C LEU A 30 -0.732 -2.115 0.345 1.00 24.30 C ATOM 426 O LEU A 30 0.319 -2.629 0.664 1.00 1.24 O ATOM 427 CB LEU A 30 -2.558 -3.169 1.705 1.00 24.20 C ATOM 428 CG LEU A 30 -3.610 -2.187 2.236 1.00 73.51 C ATOM 429 CD1 LEU A 30 -4.099 -2.660 3.574 1.00 25.21 C ATOM 430 CD2 LEU A 30 -3.083 -0.777 2.345 1.00 44.43 C ATOM 0 H LEU A 30 -0.787 -4.631 0.070 1.00 42.31 H new ATOM 0 HA LEU A 30 -2.724 -2.406 -0.306 1.00 52.42 H new ATOM 0 HB2 LEU A 30 -2.996 -4.167 1.725 1.00 24.20 H new ATOM 0 HB3 LEU A 30 -1.724 -3.173 2.406 1.00 24.20 H new ATOM 0 HG LEU A 30 -4.432 -2.163 1.520 1.00 73.51 H new ATOM 0 HD11 LEU A 30 -4.847 -1.964 3.955 1.00 25.21 H new ATOM 0 HD12 LEU A 30 -4.544 -3.650 3.470 1.00 25.21 H new ATOM 0 HD13 LEU A 30 -3.262 -2.710 4.270 1.00 25.21 H new ATOM 0 HD21 LEU A 30 -3.868 -0.124 2.726 1.00 44.43 H new ATOM 0 HD22 LEU A 30 -2.233 -0.758 3.027 1.00 44.43 H new ATOM 0 HD23 LEU A 30 -2.767 -0.430 1.361 1.00 44.43 H new ATOM 442 N ALA A 31 -0.844 -0.861 0.052 1.00 53.22 N ATOM 443 CA ALA A 31 0.301 0.009 0.019 1.00 15.34 C ATOM 444 C ALA A 31 0.026 1.297 0.771 1.00 1.52 C ATOM 445 O ALA A 31 -1.130 1.653 1.019 1.00 53.34 O ATOM 446 CB ALA A 31 0.695 0.280 -1.412 1.00 24.23 C ATOM 0 H ALA A 31 -1.728 -0.404 -0.172 1.00 53.22 H new ATOM 0 HA ALA A 31 1.134 -0.484 0.519 1.00 15.34 H new ATOM 0 HB1 ALA A 31 1.563 0.939 -1.432 1.00 24.23 H new ATOM 0 HB2 ALA A 31 0.942 -0.660 -1.906 1.00 24.23 H new ATOM 0 HB3 ALA A 31 -0.135 0.757 -1.934 1.00 24.23 H new ATOM 452 N HIS A 32 1.084 1.968 1.187 1.00 71.10 N ATOM 453 CA HIS A 32 0.996 3.207 1.958 1.00 53.11 C ATOM 454 C HIS A 32 2.259 3.981 1.690 1.00 61.04 C ATOM 455 O HIS A 32 3.164 3.439 1.098 1.00 60.04 O ATOM 456 CB HIS A 32 1.031 2.918 3.456 1.00 13.33 C ATOM 457 CG HIS A 32 0.173 1.814 3.943 1.00 4.43 C ATOM 458 ND1 HIS A 32 0.652 0.538 4.161 1.00 54.32 N ATOM 459 CD2 HIS A 32 -1.115 1.791 4.283 1.00 22.41 C ATOM 460 CE1 HIS A 32 -0.313 -0.211 4.619 1.00 65.24 C ATOM 461 NE2 HIS A 32 -1.401 0.526 4.706 1.00 21.02 N ATOM 0 H HIS A 32 2.041 1.670 1.000 1.00 71.10 H new ATOM 0 HA HIS A 32 0.078 3.727 1.683 1.00 53.11 H new ATOM 0 HB2 HIS A 32 2.061 2.696 3.735 1.00 13.33 H new ATOM 0 HB3 HIS A 32 0.746 3.828 3.984 1.00 13.33 H new ATOM 0 HD2 HIS A 32 -1.805 2.620 4.233 1.00 22.41 H new ATOM 0 HE1 HIS A 32 -0.233 -1.256 4.882 1.00 65.24 H new ATOM 0 HE2 HIS A 32 -2.310 0.203 5.036 1.00 21.02 H new ATOM 470 N CYS A 33 2.333 5.212 2.147 1.00 61.44 N ATOM 471 CA CYS A 33 3.567 5.980 2.059 1.00 21.31 C ATOM 472 C CYS A 33 4.044 6.330 3.476 1.00 12.35 C ATOM 473 O CYS A 33 3.232 6.758 4.321 1.00 63.11 O ATOM 474 CB CYS A 33 3.372 7.234 1.188 1.00 72.35 C ATOM 475 SG CYS A 33 2.019 8.318 1.714 1.00 41.10 S ATOM 0 H CYS A 33 1.556 5.707 2.584 1.00 61.44 H new ATOM 0 HA CYS A 33 4.338 5.381 1.574 1.00 21.31 H new ATOM 0 HB2 CYS A 33 4.299 7.807 1.187 1.00 72.35 H new ATOM 0 HB3 CYS A 33 3.190 6.921 0.160 1.00 72.35 H new ATOM 0 HG CYS A 33 2.196 9.506 1.217 1.00 41.10 H new ATOM 481 N ILE A 34 5.340 6.139 3.741 1.00 35.33 N ATOM 482 CA ILE A 34 5.911 6.325 5.074 1.00 13.43 C ATOM 483 C ILE A 34 7.313 6.934 4.969 1.00 50.10 C ATOM 484 O ILE A 34 7.868 7.062 3.871 1.00 1.35 O ATOM 485 CB ILE A 34 6.005 5.002 5.900 1.00 51.12 C ATOM 486 CG1 ILE A 34 6.995 4.037 5.274 1.00 2.12 C ATOM 487 CG2 ILE A 34 4.641 4.353 6.053 1.00 23.50 C ATOM 488 CD1 ILE A 34 7.284 2.822 6.131 1.00 40.53 C ATOM 0 H ILE A 34 6.020 5.852 3.037 1.00 35.33 H new ATOM 0 HA ILE A 34 5.231 6.996 5.599 1.00 13.43 H new ATOM 0 HB ILE A 34 6.368 5.259 6.895 1.00 51.12 H new ATOM 0 HG12 ILE A 34 6.608 3.707 4.310 1.00 2.12 H new ATOM 0 HG13 ILE A 34 7.929 4.564 5.079 1.00 2.12 H new ATOM 0 HG21 ILE A 34 4.738 3.435 6.632 1.00 23.50 H new ATOM 0 HG22 ILE A 34 3.968 5.038 6.569 1.00 23.50 H new ATOM 0 HG23 ILE A 34 4.236 4.120 5.068 1.00 23.50 H new ATOM 0 HD11 ILE A 34 7.999 2.178 5.620 1.00 40.53 H new ATOM 0 HD12 ILE A 34 7.701 3.141 7.086 1.00 40.53 H new ATOM 0 HD13 ILE A 34 6.360 2.271 6.305 1.00 40.53 H new ATOM 500 N SER A 35 7.864 7.321 6.099 1.00 24.34 N ATOM 501 CA SER A 35 9.163 7.941 6.139 1.00 3.12 C ATOM 502 C SER A 35 10.317 6.901 6.140 1.00 60.25 C ATOM 503 O SER A 35 10.106 5.724 6.461 1.00 43.10 O ATOM 504 CB SER A 35 9.242 8.861 7.350 1.00 41.13 C ATOM 505 OG SER A 35 8.941 8.161 8.555 1.00 41.24 O ATOM 0 H SER A 35 7.422 7.213 7.012 1.00 24.34 H new ATOM 0 HA SER A 35 9.290 8.528 5.230 1.00 3.12 H new ATOM 0 HB2 SER A 35 10.241 9.292 7.417 1.00 41.13 H new ATOM 0 HB3 SER A 35 8.545 9.690 7.225 1.00 41.13 H new ATOM 0 HG SER A 35 8.316 8.690 9.093 1.00 41.24 H new ATOM 511 N GLU A 36 11.536 7.363 5.792 1.00 51.41 N ATOM 512 CA GLU A 36 12.739 6.510 5.703 1.00 62.21 C ATOM 513 C GLU A 36 13.069 5.848 7.044 1.00 5.32 C ATOM 514 O GLU A 36 13.551 4.715 7.088 1.00 62.30 O ATOM 515 CB GLU A 36 13.968 7.306 5.184 1.00 41.12 C ATOM 516 CG GLU A 36 13.736 8.026 3.861 1.00 40.34 C ATOM 517 CD GLU A 36 14.993 8.614 3.259 1.00 73.14 C ATOM 518 OE1 GLU A 36 15.429 9.701 3.672 1.00 15.32 O ATOM 519 OE2 GLU A 36 15.545 8.008 2.334 1.00 55.45 O ATOM 0 H GLU A 36 11.714 8.341 5.564 1.00 51.41 H new ATOM 0 HA GLU A 36 12.509 5.724 4.984 1.00 62.21 H new ATOM 0 HB2 GLU A 36 14.256 8.039 5.938 1.00 41.12 H new ATOM 0 HB3 GLU A 36 14.808 6.621 5.069 1.00 41.12 H new ATOM 0 HG2 GLU A 36 13.296 7.327 3.150 1.00 40.34 H new ATOM 0 HG3 GLU A 36 13.010 8.824 4.015 1.00 40.34 H new ATOM 526 N ASP A 37 12.811 6.557 8.131 1.00 65.22 N ATOM 527 CA ASP A 37 13.061 6.027 9.481 1.00 40.44 C ATOM 528 C ASP A 37 11.855 5.277 10.001 1.00 73.45 C ATOM 529 O ASP A 37 11.863 4.799 11.135 1.00 73.41 O ATOM 530 CB ASP A 37 13.435 7.143 10.477 1.00 44.20 C ATOM 531 CG ASP A 37 14.760 7.809 10.194 1.00 31.04 C ATOM 532 OD1 ASP A 37 14.799 8.762 9.400 1.00 3.13 O ATOM 533 OD2 ASP A 37 15.784 7.408 10.789 1.00 43.21 O ATOM 0 H ASP A 37 12.428 7.502 8.115 1.00 65.22 H new ATOM 0 HA ASP A 37 13.905 5.342 9.397 1.00 40.44 H new ATOM 0 HB2 ASP A 37 12.651 7.901 10.467 1.00 44.20 H new ATOM 0 HB3 ASP A 37 13.460 6.723 11.483 1.00 44.20 H new ATOM 538 N CYS A 38 10.804 5.202 9.174 1.00 0.00 N ATOM 539 CA CYS A 38 9.548 4.500 9.504 1.00 61.40 C ATOM 540 C CYS A 38 8.874 5.085 10.752 1.00 2.15 C ATOM 541 O CYS A 38 8.050 4.441 11.409 1.00 31.15 O ATOM 542 CB CYS A 38 9.800 3.000 9.641 1.00 2.35 C ATOM 543 SG CYS A 38 10.467 2.254 8.134 1.00 63.40 S ATOM 0 H CYS A 38 10.797 5.629 8.248 1.00 0.00 H new ATOM 0 HA CYS A 38 8.850 4.652 8.681 1.00 61.40 H new ATOM 0 HB2 CYS A 38 10.495 2.828 10.463 1.00 2.35 H new ATOM 0 HB3 CYS A 38 8.866 2.503 9.903 1.00 2.35 H new ATOM 0 HG CYS A 38 11.222 1.243 8.448 1.00 63.40 H new ATOM 549 N ARG A 39 9.238 6.297 11.068 1.00 32.03 N ATOM 550 CA ARG A 39 8.649 7.019 12.142 1.00 51.25 C ATOM 551 C ARG A 39 7.249 7.556 11.821 1.00 15.54 C ATOM 552 O ARG A 39 7.101 8.629 11.212 1.00 30.41 O ATOM 553 CB ARG A 39 9.571 8.082 12.648 1.00 20.54 C ATOM 554 CG ARG A 39 10.123 9.002 11.610 1.00 23.23 C ATOM 555 CD ARG A 39 11.105 9.881 12.260 1.00 60.23 C ATOM 556 NE ARG A 39 10.487 10.788 13.222 1.00 55.42 N ATOM 557 CZ ARG A 39 11.125 11.715 13.932 1.00 51.42 C ATOM 558 NH1 ARG A 39 12.444 11.837 13.852 1.00 62.14 N ATOM 559 NH2 ARG A 39 10.441 12.496 14.745 1.00 32.44 N ATOM 0 H ARG A 39 9.966 6.812 10.573 1.00 32.03 H new ATOM 0 HA ARG A 39 8.497 6.304 12.951 1.00 51.25 H new ATOM 0 HB2 ARG A 39 9.039 8.677 13.390 1.00 20.54 H new ATOM 0 HB3 ARG A 39 10.403 7.602 13.162 1.00 20.54 H new ATOM 0 HG2 ARG A 39 10.593 8.433 10.807 1.00 23.23 H new ATOM 0 HG3 ARG A 39 9.324 9.591 11.159 1.00 23.23 H new ATOM 0 HD2 ARG A 39 11.854 9.273 12.767 1.00 60.23 H new ATOM 0 HD3 ARG A 39 11.628 10.462 11.500 1.00 60.23 H new ATOM 0 HE ARG A 39 9.480 10.704 13.362 1.00 55.42 H new ATOM 0 HH11 ARG A 39 12.977 11.217 13.242 1.00 62.14 H new ATOM 0 HH12 ARG A 39 12.924 12.551 14.400 1.00 62.14 H new ATOM 0 HH21 ARG A 39 9.430 12.387 14.826 1.00 32.44 H new ATOM 0 HH22 ARG A 39 10.923 13.209 15.293 1.00 32.44 H new ATOM 573 N MET A 40 6.232 6.801 12.165 1.00 22.10 N ATOM 574 CA MET A 40 4.862 7.257 11.980 1.00 53.35 C ATOM 575 C MET A 40 4.151 7.315 13.297 1.00 64.00 C ATOM 576 O MET A 40 3.958 6.284 13.951 1.00 73.02 O ATOM 577 CB MET A 40 4.026 6.396 10.992 1.00 13.43 C ATOM 578 CG MET A 40 4.484 6.398 9.532 1.00 52.34 C ATOM 579 SD MET A 40 6.010 5.493 9.234 1.00 74.43 S ATOM 580 CE MET A 40 5.523 3.809 9.687 1.00 2.44 C ATOM 0 H MET A 40 6.320 5.871 12.574 1.00 22.10 H new ATOM 0 HA MET A 40 4.947 8.249 11.536 1.00 53.35 H new ATOM 0 HB2 MET A 40 4.029 5.366 11.349 1.00 13.43 H new ATOM 0 HB3 MET A 40 2.993 6.743 11.026 1.00 13.43 H new ATOM 0 HG2 MET A 40 3.694 5.969 8.915 1.00 52.34 H new ATOM 0 HG3 MET A 40 4.618 7.430 9.207 1.00 52.34 H new ATOM 0 HE1 MET A 40 6.003 3.098 9.015 1.00 2.44 H new ATOM 0 HE2 MET A 40 5.831 3.604 10.712 1.00 2.44 H new ATOM 0 HE3 MET A 40 4.441 3.709 9.607 1.00 2.44 H new ATOM 590 N GLY A 41 3.779 8.503 13.692 1.00 71.32 N ATOM 591 CA GLY A 41 3.035 8.684 14.912 1.00 23.55 C ATOM 592 C GLY A 41 1.558 8.784 14.622 1.00 15.03 C ATOM 593 O GLY A 41 0.725 8.562 15.493 1.00 73.53 O ATOM 0 H GLY A 41 3.980 9.365 13.185 1.00 71.32 H new ATOM 0 HA2 GLY A 41 3.223 7.849 15.587 1.00 23.55 H new ATOM 0 HA3 GLY A 41 3.373 9.587 15.420 1.00 23.55 H new ATOM 597 N ALA A 42 1.243 9.111 13.386 1.00 31.34 N ATOM 598 CA ALA A 42 -0.121 9.237 12.928 1.00 64.11 C ATOM 599 C ALA A 42 -0.194 8.841 11.463 1.00 34.45 C ATOM 600 O ALA A 42 0.850 8.700 10.798 1.00 42.01 O ATOM 601 CB ALA A 42 -0.615 10.666 13.120 1.00 21.50 C ATOM 0 H ALA A 42 1.938 9.299 12.663 1.00 31.34 H new ATOM 0 HA ALA A 42 -0.762 8.576 13.512 1.00 64.11 H new ATOM 0 HB1 ALA A 42 -1.644 10.745 12.770 1.00 21.50 H new ATOM 0 HB2 ALA A 42 -0.570 10.928 14.177 1.00 21.50 H new ATOM 0 HB3 ALA A 42 0.015 11.349 12.550 1.00 21.50 H new ATOM 607 N GLY A 43 -1.393 8.664 10.961 1.00 33.44 N ATOM 608 CA GLY A 43 -1.578 8.277 9.583 1.00 74.24 C ATOM 609 C GLY A 43 -2.230 6.926 9.508 1.00 75.44 C ATOM 610 O GLY A 43 -2.742 6.433 10.500 1.00 53.24 O ATOM 0 H GLY A 43 -2.258 8.782 11.489 1.00 33.44 H new ATOM 0 HA2 GLY A 43 -2.194 9.015 9.070 1.00 74.24 H new ATOM 0 HA3 GLY A 43 -0.616 8.254 9.072 1.00 74.24 H new ATOM 614 N ILE A 44 -2.240 6.320 8.359 1.00 21.45 N ATOM 615 CA ILE A 44 -2.816 4.992 8.253 1.00 74.45 C ATOM 616 C ILE A 44 -1.818 3.925 8.732 1.00 4.51 C ATOM 617 O ILE A 44 -2.196 2.918 9.328 1.00 30.11 O ATOM 618 CB ILE A 44 -3.326 4.689 6.819 1.00 32.54 C ATOM 619 CG1 ILE A 44 -3.998 3.321 6.774 1.00 21.44 C ATOM 620 CG2 ILE A 44 -2.191 4.765 5.807 1.00 62.32 C ATOM 621 CD1 ILE A 44 -4.671 3.022 5.479 1.00 33.25 C ATOM 0 H ILE A 44 -1.867 6.705 7.491 1.00 21.45 H new ATOM 0 HA ILE A 44 -3.687 4.961 8.908 1.00 74.45 H new ATOM 0 HB ILE A 44 -4.062 5.447 6.552 1.00 32.54 H new ATOM 0 HG12 ILE A 44 -3.250 2.553 6.969 1.00 21.44 H new ATOM 0 HG13 ILE A 44 -4.733 3.261 7.577 1.00 21.44 H new ATOM 0 HG21 ILE A 44 -2.577 4.548 4.811 1.00 62.32 H new ATOM 0 HG22 ILE A 44 -1.759 5.766 5.819 1.00 62.32 H new ATOM 0 HG23 ILE A 44 -1.424 4.035 6.065 1.00 62.32 H new ATOM 0 HD11 ILE A 44 -5.125 2.032 5.525 1.00 33.25 H new ATOM 0 HD12 ILE A 44 -5.444 3.767 5.290 1.00 33.25 H new ATOM 0 HD13 ILE A 44 -3.937 3.048 4.673 1.00 33.25 H new ATOM 633 N ALA A 45 -0.536 4.198 8.524 1.00 50.22 N ATOM 634 CA ALA A 45 0.534 3.262 8.860 1.00 23.34 C ATOM 635 C ALA A 45 0.664 3.041 10.367 1.00 4.41 C ATOM 636 O ALA A 45 1.173 2.016 10.800 1.00 70.53 O ATOM 637 CB ALA A 45 1.855 3.733 8.279 1.00 31.20 C ATOM 0 H ALA A 45 -0.207 5.074 8.118 1.00 50.22 H new ATOM 0 HA ALA A 45 0.269 2.302 8.416 1.00 23.34 H new ATOM 0 HB1 ALA A 45 2.641 3.024 8.539 1.00 31.20 H new ATOM 0 HB2 ALA A 45 1.772 3.801 7.194 1.00 31.20 H new ATOM 0 HB3 ALA A 45 2.102 4.714 8.686 1.00 31.20 H new ATOM 643 N VAL A 46 0.179 3.998 11.156 1.00 32.44 N ATOM 644 CA VAL A 46 0.286 3.932 12.616 1.00 24.53 C ATOM 645 C VAL A 46 -0.446 2.689 13.169 1.00 40.13 C ATOM 646 O VAL A 46 0.009 2.041 14.117 1.00 62.33 O ATOM 647 CB VAL A 46 -0.247 5.234 13.289 1.00 55.42 C ATOM 648 CG1 VAL A 46 -1.742 5.414 13.126 1.00 30.35 C ATOM 649 CG2 VAL A 46 0.162 5.331 14.733 1.00 4.43 C ATOM 0 H VAL A 46 -0.294 4.832 10.809 1.00 32.44 H new ATOM 0 HA VAL A 46 1.344 3.842 12.862 1.00 24.53 H new ATOM 0 HB VAL A 46 0.226 6.059 12.756 1.00 55.42 H new ATOM 0 HG11 VAL A 46 -2.053 6.337 13.615 1.00 30.35 H new ATOM 0 HG12 VAL A 46 -1.989 5.464 12.066 1.00 30.35 H new ATOM 0 HG13 VAL A 46 -2.262 4.570 13.580 1.00 30.35 H new ATOM 0 HG21 VAL A 46 -0.231 6.253 15.161 1.00 4.43 H new ATOM 0 HG22 VAL A 46 -0.236 4.477 15.282 1.00 4.43 H new ATOM 0 HG23 VAL A 46 1.250 5.333 14.804 1.00 4.43 H new ATOM 659 N LEU A 47 -1.552 2.366 12.551 1.00 54.24 N ATOM 660 CA LEU A 47 -2.345 1.194 12.904 1.00 13.35 C ATOM 661 C LEU A 47 -1.682 -0.095 12.435 1.00 63.12 C ATOM 662 O LEU A 47 -1.699 -1.114 13.135 1.00 54.11 O ATOM 663 CB LEU A 47 -3.763 1.340 12.354 1.00 3.20 C ATOM 664 CG LEU A 47 -4.680 2.298 13.127 1.00 54.45 C ATOM 665 CD1 LEU A 47 -5.907 2.652 12.318 1.00 3.55 C ATOM 666 CD2 LEU A 47 -5.129 1.614 14.391 1.00 33.05 C ATOM 0 H LEU A 47 -1.940 2.908 11.779 1.00 54.24 H new ATOM 0 HA LEU A 47 -2.406 1.131 13.990 1.00 13.35 H new ATOM 0 HB2 LEU A 47 -3.699 1.682 11.321 1.00 3.20 H new ATOM 0 HB3 LEU A 47 -4.229 0.355 12.336 1.00 3.20 H new ATOM 0 HG LEU A 47 -4.126 3.211 13.343 1.00 54.45 H new ATOM 0 HD11 LEU A 47 -6.537 3.332 12.891 1.00 3.55 H new ATOM 0 HD12 LEU A 47 -5.604 3.135 11.389 1.00 3.55 H new ATOM 0 HD13 LEU A 47 -6.466 1.745 12.089 1.00 3.55 H new ATOM 0 HD21 LEU A 47 -5.782 2.281 14.953 1.00 33.05 H new ATOM 0 HD22 LEU A 47 -5.671 0.703 14.139 1.00 33.05 H new ATOM 0 HD23 LEU A 47 -4.259 1.362 14.997 1.00 33.05 H new ATOM 678 N PHE A 48 -1.061 -0.031 11.277 1.00 42.12 N ATOM 679 CA PHE A 48 -0.364 -1.174 10.704 1.00 10.32 C ATOM 680 C PHE A 48 0.835 -1.600 11.527 1.00 13.12 C ATOM 681 O PHE A 48 1.215 -2.781 11.510 1.00 3.02 O ATOM 682 CB PHE A 48 0.003 -0.941 9.238 1.00 71.24 C ATOM 683 CG PHE A 48 -1.180 -1.017 8.319 1.00 23.51 C ATOM 684 CD1 PHE A 48 -2.090 0.015 8.233 1.00 63.13 C ATOM 685 CD2 PHE A 48 -1.380 -2.142 7.546 1.00 15.45 C ATOM 686 CE1 PHE A 48 -3.181 -0.078 7.397 1.00 30.14 C ATOM 687 CE2 PHE A 48 -2.464 -2.242 6.706 1.00 73.34 C ATOM 688 CZ PHE A 48 -3.369 -1.206 6.631 1.00 2.01 C ATOM 0 H PHE A 48 -1.022 0.811 10.703 1.00 42.12 H new ATOM 0 HA PHE A 48 -1.066 -2.007 10.732 1.00 10.32 H new ATOM 0 HB2 PHE A 48 0.472 0.038 9.138 1.00 71.24 H new ATOM 0 HB3 PHE A 48 0.742 -1.681 8.932 1.00 71.24 H new ATOM 0 HD1 PHE A 48 -1.946 0.905 8.827 1.00 63.13 H new ATOM 0 HD2 PHE A 48 -0.674 -2.957 7.602 1.00 15.45 H new ATOM 0 HE1 PHE A 48 -3.890 0.735 7.343 1.00 30.14 H new ATOM 0 HE2 PHE A 48 -2.605 -3.130 6.107 1.00 73.34 H new ATOM 0 HZ PHE A 48 -4.223 -1.279 5.974 1.00 2.01 H new ATOM 698 N LYS A 49 1.423 -0.645 12.257 1.00 1.40 N ATOM 699 CA LYS A 49 2.555 -0.933 13.125 1.00 33.24 C ATOM 700 C LYS A 49 2.229 -2.051 14.096 1.00 42.32 C ATOM 701 O LYS A 49 2.987 -3.001 14.227 1.00 51.21 O ATOM 702 CB LYS A 49 2.993 0.295 13.900 1.00 45.32 C ATOM 703 CG LYS A 49 3.361 1.454 13.014 1.00 13.51 C ATOM 704 CD LYS A 49 4.130 2.508 13.765 1.00 34.33 C ATOM 705 CE LYS A 49 3.368 3.083 14.955 1.00 4.24 C ATOM 706 NZ LYS A 49 4.143 4.147 15.639 1.00 54.34 N ATOM 0 H LYS A 49 1.129 0.332 12.259 1.00 1.40 H new ATOM 0 HA LYS A 49 3.375 -1.248 12.479 1.00 33.24 H new ATOM 0 HB2 LYS A 49 2.189 0.599 14.571 1.00 45.32 H new ATOM 0 HB3 LYS A 49 3.849 0.037 14.524 1.00 45.32 H new ATOM 0 HG2 LYS A 49 3.959 1.096 12.176 1.00 13.51 H new ATOM 0 HG3 LYS A 49 2.456 1.893 12.595 1.00 13.51 H new ATOM 0 HD2 LYS A 49 5.069 2.080 14.117 1.00 34.33 H new ATOM 0 HD3 LYS A 49 4.385 3.317 13.081 1.00 34.33 H new ATOM 0 HE2 LYS A 49 2.415 3.488 14.616 1.00 4.24 H new ATOM 0 HE3 LYS A 49 3.142 2.285 15.662 1.00 4.24 H new ATOM 0 HZ1 LYS A 49 3.624 4.467 16.482 1.00 54.34 H new ATOM 0 HZ2 LYS A 49 5.070 3.772 15.925 1.00 54.34 H new ATOM 0 HZ3 LYS A 49 4.279 4.949 14.991 1.00 54.34 H new ATOM 720 N LYS A 50 1.092 -1.947 14.766 1.00 3.32 N ATOM 721 CA LYS A 50 0.692 -2.974 15.697 1.00 41.52 C ATOM 722 C LYS A 50 0.212 -4.241 15.005 1.00 4.21 C ATOM 723 O LYS A 50 0.582 -5.347 15.401 1.00 42.55 O ATOM 724 CB LYS A 50 -0.352 -2.512 16.715 1.00 1.13 C ATOM 725 CG LYS A 50 0.124 -1.446 17.697 1.00 53.12 C ATOM 726 CD LYS A 50 0.095 -0.032 17.131 1.00 11.11 C ATOM 727 CE LYS A 50 -1.337 0.400 16.839 1.00 52.22 C ATOM 728 NZ LYS A 50 -1.431 1.822 16.456 1.00 33.01 N ATOM 0 H LYS A 50 0.440 -1.167 14.680 1.00 3.32 H new ATOM 0 HA LYS A 50 1.605 -3.203 16.247 1.00 41.52 H new ATOM 0 HB2 LYS A 50 -1.216 -2.125 16.175 1.00 1.13 H new ATOM 0 HB3 LYS A 50 -0.692 -3.379 17.282 1.00 1.13 H new ATOM 0 HG2 LYS A 50 -0.500 -1.483 18.590 1.00 53.12 H new ATOM 0 HG3 LYS A 50 1.141 -1.681 18.010 1.00 53.12 H new ATOM 0 HD2 LYS A 50 0.551 0.659 17.840 1.00 11.11 H new ATOM 0 HD3 LYS A 50 0.687 0.012 16.217 1.00 11.11 H new ATOM 0 HE2 LYS A 50 -1.743 -0.217 16.037 1.00 52.22 H new ATOM 0 HE3 LYS A 50 -1.953 0.223 17.720 1.00 52.22 H new ATOM 0 HZ1 LYS A 50 -2.430 2.083 16.334 1.00 33.01 H new ATOM 0 HZ2 LYS A 50 -1.008 2.411 17.201 1.00 33.01 H new ATOM 0 HZ3 LYS A 50 -0.922 1.975 15.562 1.00 33.01 H new ATOM 742 N LYS A 51 -0.596 -4.070 13.964 1.00 63.14 N ATOM 743 CA LYS A 51 -1.219 -5.187 13.264 1.00 60.40 C ATOM 744 C LYS A 51 -0.246 -6.130 12.564 1.00 5.15 C ATOM 745 O LYS A 51 -0.435 -7.355 12.590 1.00 63.43 O ATOM 746 CB LYS A 51 -2.270 -4.697 12.303 1.00 13.45 C ATOM 747 CG LYS A 51 -3.451 -4.075 13.000 1.00 3.44 C ATOM 748 CD LYS A 51 -4.481 -3.636 12.011 1.00 50.20 C ATOM 749 CE LYS A 51 -5.714 -3.072 12.701 1.00 64.11 C ATOM 750 NZ LYS A 51 -6.369 -4.072 13.582 1.00 20.35 N ATOM 0 H LYS A 51 -0.837 -3.155 13.583 1.00 63.14 H new ATOM 0 HA LYS A 51 -1.685 -5.787 14.046 1.00 60.40 H new ATOM 0 HB2 LYS A 51 -1.826 -3.966 11.627 1.00 13.45 H new ATOM 0 HB3 LYS A 51 -2.613 -5.531 11.690 1.00 13.45 H new ATOM 0 HG2 LYS A 51 -3.889 -4.793 13.693 1.00 3.44 H new ATOM 0 HG3 LYS A 51 -3.121 -3.221 13.592 1.00 3.44 H new ATOM 0 HD2 LYS A 51 -4.054 -2.880 11.352 1.00 50.20 H new ATOM 0 HD3 LYS A 51 -4.768 -4.480 11.384 1.00 50.20 H new ATOM 0 HE2 LYS A 51 -5.432 -2.200 13.291 1.00 64.11 H new ATOM 0 HE3 LYS A 51 -6.426 -2.731 11.949 1.00 64.11 H new ATOM 0 HZ1 LYS A 51 -7.331 -3.752 13.815 1.00 20.35 H new ATOM 0 HZ2 LYS A 51 -6.418 -4.988 13.091 1.00 20.35 H new ATOM 0 HZ3 LYS A 51 -5.818 -4.177 14.458 1.00 20.35 H new ATOM 764 N PHE A 52 0.765 -5.594 11.926 1.00 44.52 N ATOM 765 CA PHE A 52 1.720 -6.443 11.230 1.00 52.33 C ATOM 766 C PHE A 52 3.041 -6.542 11.961 1.00 40.02 C ATOM 767 O PHE A 52 3.783 -7.513 11.776 1.00 61.20 O ATOM 768 CB PHE A 52 1.905 -6.003 9.774 1.00 14.20 C ATOM 769 CG PHE A 52 0.666 -6.202 8.945 1.00 40.33 C ATOM 770 CD1 PHE A 52 -0.321 -5.233 8.893 1.00 15.41 C ATOM 771 CD2 PHE A 52 0.481 -7.373 8.230 1.00 33.30 C ATOM 772 CE1 PHE A 52 -1.464 -5.430 8.143 1.00 63.21 C ATOM 773 CE2 PHE A 52 -0.660 -7.572 7.480 1.00 44.30 C ATOM 774 CZ PHE A 52 -1.634 -6.600 7.438 1.00 44.24 C ATOM 0 H PHE A 52 0.953 -4.593 11.870 1.00 44.52 H new ATOM 0 HA PHE A 52 1.299 -7.448 11.216 1.00 52.33 H new ATOM 0 HB2 PHE A 52 2.188 -4.951 9.750 1.00 14.20 H new ATOM 0 HB3 PHE A 52 2.728 -6.564 9.331 1.00 14.20 H new ATOM 0 HD1 PHE A 52 -0.196 -4.313 9.445 1.00 15.41 H new ATOM 0 HD2 PHE A 52 1.240 -8.141 8.260 1.00 33.30 H new ATOM 0 HE1 PHE A 52 -2.226 -4.665 8.110 1.00 63.21 H new ATOM 0 HE2 PHE A 52 -0.789 -8.490 6.926 1.00 44.30 H new ATOM 0 HZ PHE A 52 -2.529 -6.755 6.854 1.00 44.24 H new ATOM 784 N GLY A 53 3.325 -5.548 12.799 1.00 42.42 N ATOM 785 CA GLY A 53 4.541 -5.537 13.606 1.00 42.22 C ATOM 786 C GLY A 53 5.795 -5.755 12.803 1.00 25.53 C ATOM 787 O GLY A 53 6.641 -6.557 13.179 1.00 4.02 O ATOM 0 H GLY A 53 2.725 -4.735 12.937 1.00 42.42 H new ATOM 0 HA2 GLY A 53 4.614 -4.582 14.127 1.00 42.22 H new ATOM 0 HA3 GLY A 53 4.468 -6.312 14.369 1.00 42.22 H new ATOM 791 N GLY A 54 5.914 -5.057 11.701 1.00 52.02 N ATOM 792 CA GLY A 54 7.057 -5.252 10.855 1.00 31.25 C ATOM 793 C GLY A 54 7.802 -3.986 10.581 1.00 35.43 C ATOM 794 O GLY A 54 8.404 -3.846 9.535 1.00 33.23 O ATOM 0 H GLY A 54 5.244 -4.360 11.375 1.00 52.02 H new ATOM 0 HA2 GLY A 54 7.731 -5.970 11.323 1.00 31.25 H new ATOM 0 HA3 GLY A 54 6.733 -5.688 9.910 1.00 31.25 H new ATOM 798 N VAL A 55 7.786 -3.067 11.528 1.00 3.21 N ATOM 799 CA VAL A 55 8.466 -1.794 11.363 1.00 63.41 C ATOM 800 C VAL A 55 9.977 -2.025 11.388 1.00 51.53 C ATOM 801 O VAL A 55 10.732 -1.412 10.641 1.00 73.00 O ATOM 802 CB VAL A 55 8.060 -0.786 12.468 1.00 63.33 C ATOM 803 CG1 VAL A 55 8.705 0.566 12.230 1.00 71.20 C ATOM 804 CG2 VAL A 55 6.546 -0.643 12.535 1.00 74.21 C ATOM 0 H VAL A 55 7.308 -3.178 12.422 1.00 3.21 H new ATOM 0 HA VAL A 55 8.172 -1.365 10.405 1.00 63.41 H new ATOM 0 HB VAL A 55 8.415 -1.173 13.423 1.00 63.33 H new ATOM 0 HG11 VAL A 55 8.405 1.256 13.018 1.00 71.20 H new ATOM 0 HG12 VAL A 55 9.790 0.458 12.236 1.00 71.20 H new ATOM 0 HG13 VAL A 55 8.385 0.957 11.264 1.00 71.20 H new ATOM 0 HG21 VAL A 55 6.282 0.069 13.317 1.00 74.21 H new ATOM 0 HG22 VAL A 55 6.172 -0.284 11.576 1.00 74.21 H new ATOM 0 HG23 VAL A 55 6.099 -1.611 12.760 1.00 74.21 H new ATOM 814 N GLN A 56 10.391 -2.950 12.230 1.00 11.20 N ATOM 815 CA GLN A 56 11.749 -3.352 12.347 1.00 74.23 C ATOM 816 C GLN A 56 12.181 -4.042 11.092 1.00 22.43 C ATOM 817 O GLN A 56 13.304 -3.885 10.652 1.00 23.24 O ATOM 818 CB GLN A 56 11.858 -4.258 13.525 1.00 44.21 C ATOM 819 CG GLN A 56 13.239 -4.671 13.818 1.00 14.13 C ATOM 820 CD GLN A 56 13.337 -5.242 15.170 1.00 13.34 C ATOM 821 OE1 GLN A 56 13.199 -6.442 15.384 1.00 4.30 O ATOM 822 NE2 GLN A 56 13.542 -4.380 16.104 1.00 54.53 N ATOM 0 H GLN A 56 9.763 -3.447 12.862 1.00 11.20 H new ATOM 0 HA GLN A 56 12.400 -2.490 12.490 1.00 74.23 H new ATOM 0 HB2 GLN A 56 11.443 -3.757 14.399 1.00 44.21 H new ATOM 0 HB3 GLN A 56 11.251 -5.146 13.349 1.00 44.21 H new ATOM 0 HG2 GLN A 56 13.567 -5.406 13.083 1.00 14.13 H new ATOM 0 HG3 GLN A 56 13.906 -3.813 13.731 1.00 14.13 H new ATOM 0 HE21 GLN A 56 13.650 -3.393 15.872 1.00 54.53 H new ATOM 0 HE22 GLN A 56 13.596 -4.684 17.076 1.00 54.53 H new ATOM 831 N GLU A 57 11.276 -4.786 10.506 1.00 12.41 N ATOM 832 CA GLU A 57 11.544 -5.447 9.252 1.00 32.43 C ATOM 833 C GLU A 57 11.777 -4.404 8.176 1.00 43.04 C ATOM 834 O GLU A 57 12.741 -4.490 7.445 1.00 12.01 O ATOM 835 CB GLU A 57 10.413 -6.398 8.872 1.00 63.33 C ATOM 836 CG GLU A 57 10.209 -7.511 9.877 1.00 11.42 C ATOM 837 CD GLU A 57 9.076 -8.435 9.523 1.00 72.35 C ATOM 838 OE1 GLU A 57 9.297 -9.433 8.799 1.00 21.51 O ATOM 839 OE2 GLU A 57 7.951 -8.206 9.987 1.00 44.31 O ATOM 0 H GLU A 57 10.341 -4.950 10.880 1.00 12.41 H new ATOM 0 HA GLU A 57 12.443 -6.055 9.356 1.00 32.43 H new ATOM 0 HB2 GLU A 57 9.487 -5.831 8.774 1.00 63.33 H new ATOM 0 HB3 GLU A 57 10.625 -6.833 7.895 1.00 63.33 H new ATOM 0 HG2 GLU A 57 11.129 -8.090 9.958 1.00 11.42 H new ATOM 0 HG3 GLU A 57 10.019 -7.075 10.858 1.00 11.42 H new ATOM 846 N LEU A 58 10.905 -3.388 8.137 1.00 51.15 N ATOM 847 CA LEU A 58 11.024 -2.270 7.184 1.00 41.34 C ATOM 848 C LEU A 58 12.405 -1.621 7.321 1.00 4.34 C ATOM 849 O LEU A 58 13.136 -1.446 6.331 1.00 3.53 O ATOM 850 CB LEU A 58 9.949 -1.206 7.468 1.00 21.15 C ATOM 851 CG LEU A 58 8.490 -1.665 7.450 1.00 33.34 C ATOM 852 CD1 LEU A 58 7.565 -0.509 7.787 1.00 52.22 C ATOM 853 CD2 LEU A 58 8.123 -2.257 6.108 1.00 72.44 C ATOM 0 H LEU A 58 10.101 -3.315 8.760 1.00 51.15 H new ATOM 0 HA LEU A 58 10.890 -2.661 6.175 1.00 41.34 H new ATOM 0 HB2 LEU A 58 10.154 -0.771 8.446 1.00 21.15 H new ATOM 0 HB3 LEU A 58 10.061 -0.408 6.734 1.00 21.15 H new ATOM 0 HG LEU A 58 8.372 -2.440 8.207 1.00 33.34 H new ATOM 0 HD11 LEU A 58 6.531 -0.853 7.770 1.00 52.22 H new ATOM 0 HD12 LEU A 58 7.804 -0.129 8.780 1.00 52.22 H new ATOM 0 HD13 LEU A 58 7.695 0.287 7.053 1.00 52.22 H new ATOM 0 HD21 LEU A 58 7.081 -2.575 6.123 1.00 72.44 H new ATOM 0 HD22 LEU A 58 8.262 -1.507 5.329 1.00 72.44 H new ATOM 0 HD23 LEU A 58 8.761 -3.116 5.903 1.00 72.44 H new ATOM 865 N LEU A 59 12.759 -1.290 8.562 1.00 71.31 N ATOM 866 CA LEU A 59 14.047 -0.688 8.864 1.00 70.30 C ATOM 867 C LEU A 59 15.193 -1.599 8.491 1.00 74.24 C ATOM 868 O LEU A 59 16.166 -1.147 7.909 1.00 14.03 O ATOM 869 CB LEU A 59 14.144 -0.251 10.329 1.00 55.32 C ATOM 870 CG LEU A 59 13.230 0.903 10.743 1.00 71.32 C ATOM 871 CD1 LEU A 59 13.392 1.217 12.217 1.00 12.51 C ATOM 872 CD2 LEU A 59 13.543 2.138 9.913 1.00 15.53 C ATOM 0 H LEU A 59 12.163 -1.432 9.377 1.00 71.31 H new ATOM 0 HA LEU A 59 14.126 0.209 8.249 1.00 70.30 H new ATOM 0 HB2 LEU A 59 13.920 -1.111 10.960 1.00 55.32 H new ATOM 0 HB3 LEU A 59 15.175 0.036 10.535 1.00 55.32 H new ATOM 0 HG LEU A 59 12.197 0.603 10.566 1.00 71.32 H new ATOM 0 HD11 LEU A 59 12.732 2.041 12.488 1.00 12.51 H new ATOM 0 HD12 LEU A 59 13.135 0.337 12.807 1.00 12.51 H new ATOM 0 HD13 LEU A 59 14.426 1.499 12.417 1.00 12.51 H new ATOM 0 HD21 LEU A 59 12.887 2.955 10.215 1.00 15.53 H new ATOM 0 HD22 LEU A 59 14.581 2.429 10.071 1.00 15.53 H new ATOM 0 HD23 LEU A 59 13.385 1.917 8.857 1.00 15.53 H new ATOM 884 N ASN A 60 15.078 -2.872 8.822 1.00 73.24 N ATOM 885 CA ASN A 60 16.114 -3.855 8.440 1.00 55.51 C ATOM 886 C ASN A 60 16.263 -4.048 6.934 1.00 4.01 C ATOM 887 O ASN A 60 17.364 -4.316 6.459 1.00 12.02 O ATOM 888 CB ASN A 60 15.996 -5.198 9.181 1.00 21.03 C ATOM 889 CG ASN A 60 16.517 -5.123 10.606 1.00 50.14 C ATOM 890 OD1 ASN A 60 17.700 -5.381 10.863 1.00 61.41 O ATOM 891 ND2 ASN A 60 15.682 -4.768 11.529 1.00 41.40 N ATOM 0 H ASN A 60 14.295 -3.260 9.347 1.00 73.24 H new ATOM 0 HA ASN A 60 17.044 -3.397 8.778 1.00 55.51 H new ATOM 0 HB2 ASN A 60 14.952 -5.511 9.195 1.00 21.03 H new ATOM 0 HB3 ASN A 60 16.550 -5.961 8.634 1.00 21.03 H new ATOM 0 HD21 ASN A 60 15.993 -4.695 12.498 1.00 41.40 H new ATOM 0 HD22 ASN A 60 14.713 -4.561 11.288 1.00 41.40 H new ATOM 898 N GLN A 61 15.174 -3.927 6.174 1.00 21.53 N ATOM 899 CA GLN A 61 15.263 -4.000 4.709 1.00 51.52 C ATOM 900 C GLN A 61 16.086 -2.827 4.196 1.00 14.41 C ATOM 901 O GLN A 61 16.823 -2.949 3.217 1.00 4.20 O ATOM 902 CB GLN A 61 13.876 -3.947 4.072 1.00 63.04 C ATOM 903 CG GLN A 61 12.948 -5.025 4.555 1.00 3.53 C ATOM 904 CD GLN A 61 11.569 -4.942 3.960 1.00 12.43 C ATOM 905 OE1 GLN A 61 11.084 -3.876 3.593 1.00 55.23 O ATOM 906 NE2 GLN A 61 10.925 -6.050 3.891 1.00 44.41 N ATOM 0 H GLN A 61 14.232 -3.780 6.538 1.00 21.53 H new ATOM 0 HA GLN A 61 15.736 -4.945 4.441 1.00 51.52 H new ATOM 0 HB2 GLN A 61 13.428 -2.975 4.278 1.00 63.04 H new ATOM 0 HB3 GLN A 61 13.980 -4.027 2.990 1.00 63.04 H new ATOM 0 HG2 GLN A 61 13.379 -5.998 4.318 1.00 3.53 H new ATOM 0 HG3 GLN A 61 12.871 -4.967 5.641 1.00 3.53 H new ATOM 0 HE21 GLN A 61 11.363 -6.915 4.206 1.00 44.41 H new ATOM 0 HE22 GLN A 61 9.975 -6.065 3.521 1.00 44.41 H new ATOM 915 N GLN A 62 15.965 -1.710 4.905 1.00 64.20 N ATOM 916 CA GLN A 62 16.619 -0.465 4.604 1.00 71.41 C ATOM 917 C GLN A 62 16.178 0.123 3.315 1.00 22.11 C ATOM 918 O GLN A 62 16.791 -0.067 2.266 1.00 24.53 O ATOM 919 CB GLN A 62 18.119 -0.526 4.712 1.00 3.52 C ATOM 920 CG GLN A 62 18.592 -0.828 6.097 1.00 13.05 C ATOM 921 CD GLN A 62 20.093 -0.827 6.222 1.00 11.01 C ATOM 922 OE1 GLN A 62 20.814 -1.142 5.270 1.00 13.52 O ATOM 923 NE2 GLN A 62 20.581 -0.469 7.375 1.00 44.40 N ATOM 0 H GLN A 62 15.380 -1.657 5.739 1.00 64.20 H new ATOM 0 HA GLN A 62 16.292 0.216 5.389 1.00 71.41 H new ATOM 0 HB2 GLN A 62 18.496 -1.289 4.031 1.00 3.52 H new ATOM 0 HB3 GLN A 62 18.540 0.426 4.389 1.00 3.52 H new ATOM 0 HG2 GLN A 62 18.176 -0.092 6.785 1.00 13.05 H new ATOM 0 HG3 GLN A 62 18.209 -1.802 6.401 1.00 13.05 H new ATOM 0 HE21 GLN A 62 19.953 -0.216 8.138 1.00 44.40 H new ATOM 0 HE22 GLN A 62 21.591 -0.442 7.515 1.00 44.40 H new ATOM 932 N LYS A 63 15.078 0.784 3.382 1.00 53.43 N ATOM 933 CA LYS A 63 14.530 1.444 2.249 1.00 74.44 C ATOM 934 C LYS A 63 14.666 2.924 2.383 1.00 73.00 C ATOM 935 O LYS A 63 14.621 3.472 3.489 1.00 62.14 O ATOM 936 CB LYS A 63 13.102 1.034 2.075 1.00 60.04 C ATOM 937 CG LYS A 63 12.968 -0.445 1.879 1.00 41.12 C ATOM 938 CD LYS A 63 13.598 -0.904 0.575 1.00 71.04 C ATOM 939 CE LYS A 63 13.495 -2.406 0.398 1.00 23.41 C ATOM 940 NZ LYS A 63 14.146 -2.852 -0.850 1.00 13.53 N ATOM 0 H LYS A 63 14.526 0.884 4.234 1.00 53.43 H new ATOM 0 HA LYS A 63 15.083 1.151 1.357 1.00 74.44 H new ATOM 0 HB2 LYS A 63 12.527 1.338 2.950 1.00 60.04 H new ATOM 0 HB3 LYS A 63 12.676 1.554 1.217 1.00 60.04 H new ATOM 0 HG2 LYS A 63 13.439 -0.966 2.713 1.00 41.12 H new ATOM 0 HG3 LYS A 63 11.913 -0.718 1.888 1.00 41.12 H new ATOM 0 HD2 LYS A 63 13.108 -0.405 -0.261 1.00 71.04 H new ATOM 0 HD3 LYS A 63 14.646 -0.606 0.553 1.00 71.04 H new ATOM 0 HE2 LYS A 63 13.958 -2.906 1.249 1.00 23.41 H new ATOM 0 HE3 LYS A 63 12.446 -2.701 0.387 1.00 23.41 H new ATOM 0 HZ1 LYS A 63 14.056 -3.884 -0.939 1.00 13.53 H new ATOM 0 HZ2 LYS A 63 13.688 -2.394 -1.663 1.00 13.53 H new ATOM 0 HZ3 LYS A 63 15.153 -2.593 -0.828 1.00 13.53 H new ATOM 954 N LYS A 64 14.843 3.554 1.277 1.00 71.31 N ATOM 955 CA LYS A 64 15.071 4.977 1.222 1.00 21.42 C ATOM 956 C LYS A 64 14.116 5.613 0.251 1.00 41.32 C ATOM 957 O LYS A 64 13.379 4.910 -0.427 1.00 0.05 O ATOM 958 CB LYS A 64 16.518 5.276 0.818 1.00 73.12 C ATOM 959 CG LYS A 64 17.567 4.762 1.806 1.00 42.15 C ATOM 960 CD LYS A 64 17.375 5.378 3.190 1.00 53.42 C ATOM 961 CE LYS A 64 18.397 4.869 4.187 1.00 72.21 C ATOM 962 NZ LYS A 64 19.783 5.211 3.802 1.00 52.11 N ATOM 0 H LYS A 64 14.836 3.100 0.364 1.00 71.31 H new ATOM 0 HA LYS A 64 14.899 5.396 2.213 1.00 21.42 H new ATOM 0 HB2 LYS A 64 16.709 4.833 -0.159 1.00 73.12 H new ATOM 0 HB3 LYS A 64 16.637 6.354 0.708 1.00 73.12 H new ATOM 0 HG2 LYS A 64 17.502 3.676 1.877 1.00 42.15 H new ATOM 0 HG3 LYS A 64 18.565 4.998 1.436 1.00 42.15 H new ATOM 0 HD2 LYS A 64 17.449 6.463 3.117 1.00 53.42 H new ATOM 0 HD3 LYS A 64 16.372 5.151 3.552 1.00 53.42 H new ATOM 0 HE2 LYS A 64 18.182 5.289 5.169 1.00 72.21 H new ATOM 0 HE3 LYS A 64 18.305 3.787 4.276 1.00 72.21 H new ATOM 0 HZ1 LYS A 64 20.424 5.010 4.596 1.00 52.11 H new ATOM 0 HZ2 LYS A 64 20.064 4.643 2.977 1.00 52.11 H new ATOM 0 HZ3 LYS A 64 19.837 6.221 3.561 1.00 52.11 H new ATOM 976 N SER A 65 14.118 6.929 0.217 1.00 31.41 N ATOM 977 CA SER A 65 13.264 7.714 -0.666 1.00 51.55 C ATOM 978 C SER A 65 13.301 7.203 -2.123 1.00 43.33 C ATOM 979 O SER A 65 14.339 7.289 -2.801 1.00 62.41 O ATOM 980 CB SER A 65 13.696 9.177 -0.598 1.00 5.14 C ATOM 981 OG SER A 65 15.085 9.312 -0.896 1.00 32.21 O ATOM 0 H SER A 65 14.722 7.498 0.810 1.00 31.41 H new ATOM 0 HA SER A 65 12.233 7.611 -0.327 1.00 51.55 H new ATOM 0 HB2 SER A 65 13.110 9.767 -1.303 1.00 5.14 H new ATOM 0 HB3 SER A 65 13.493 9.575 0.396 1.00 5.14 H new ATOM 0 HG SER A 65 15.302 8.782 -1.691 1.00 32.21 H new ATOM 987 N GLY A 66 12.192 6.655 -2.576 1.00 62.11 N ATOM 988 CA GLY A 66 12.115 6.143 -3.925 1.00 5.20 C ATOM 989 C GLY A 66 12.114 4.631 -3.961 1.00 25.34 C ATOM 990 O GLY A 66 12.024 4.030 -5.027 1.00 33.01 O ATOM 0 H GLY A 66 11.336 6.554 -2.031 1.00 62.11 H new ATOM 0 HA2 GLY A 66 11.210 6.517 -4.403 1.00 5.20 H new ATOM 0 HA3 GLY A 66 12.959 6.518 -4.503 1.00 5.20 H new ATOM 994 N GLU A 67 12.203 4.030 -2.801 1.00 43.04 N ATOM 995 CA GLU A 67 12.199 2.599 -2.654 1.00 20.23 C ATOM 996 C GLU A 67 10.970 2.211 -1.874 1.00 14.45 C ATOM 997 O GLU A 67 10.363 3.051 -1.201 1.00 71.12 O ATOM 998 CB GLU A 67 13.429 2.138 -1.873 1.00 55.24 C ATOM 999 CG GLU A 67 14.758 2.487 -2.503 1.00 61.32 C ATOM 1000 CD GLU A 67 14.970 1.826 -3.832 1.00 61.10 C ATOM 1001 OE1 GLU A 67 15.253 0.606 -3.855 1.00 34.11 O ATOM 1002 OE2 GLU A 67 14.904 2.509 -4.869 1.00 70.34 O ATOM 0 H GLU A 67 12.282 4.532 -1.917 1.00 43.04 H new ATOM 0 HA GLU A 67 12.208 2.135 -3.640 1.00 20.23 H new ATOM 0 HB2 GLU A 67 13.392 2.576 -0.875 1.00 55.24 H new ATOM 0 HB3 GLU A 67 13.377 1.056 -1.749 1.00 55.24 H new ATOM 0 HG2 GLU A 67 14.822 3.568 -2.627 1.00 61.32 H new ATOM 0 HG3 GLU A 67 15.562 2.196 -1.827 1.00 61.32 H new ATOM 1009 N VAL A 68 10.598 0.980 -1.957 1.00 75.32 N ATOM 1010 CA VAL A 68 9.425 0.525 -1.268 1.00 41.44 C ATOM 1011 C VAL A 68 9.778 -0.605 -0.312 1.00 12.01 C ATOM 1012 O VAL A 68 10.543 -1.516 -0.653 1.00 31.35 O ATOM 1013 CB VAL A 68 8.289 0.083 -2.256 1.00 34.32 C ATOM 1014 CG1 VAL A 68 8.654 -1.166 -3.055 1.00 20.24 C ATOM 1015 CG2 VAL A 68 6.983 -0.120 -1.528 1.00 70.52 C ATOM 0 H VAL A 68 11.086 0.264 -2.495 1.00 75.32 H new ATOM 0 HA VAL A 68 9.037 1.367 -0.694 1.00 41.44 H new ATOM 0 HB VAL A 68 8.171 0.897 -2.971 1.00 34.32 H new ATOM 0 HG11 VAL A 68 7.831 -1.425 -3.721 1.00 20.24 H new ATOM 0 HG12 VAL A 68 9.551 -0.972 -3.644 1.00 20.24 H new ATOM 0 HG13 VAL A 68 8.841 -1.994 -2.371 1.00 20.24 H new ATOM 0 HG21 VAL A 68 6.214 -0.426 -2.238 1.00 70.52 H new ATOM 0 HG22 VAL A 68 7.105 -0.894 -0.770 1.00 70.52 H new ATOM 0 HG23 VAL A 68 6.684 0.813 -1.049 1.00 70.52 H new ATOM 1025 N ALA A 69 9.267 -0.522 0.878 1.00 14.42 N ATOM 1026 CA ALA A 69 9.450 -1.555 1.855 1.00 73.43 C ATOM 1027 C ALA A 69 8.254 -2.475 1.769 1.00 0.11 C ATOM 1028 O ALA A 69 7.144 -2.012 1.483 1.00 65.45 O ATOM 1029 CB ALA A 69 9.589 -0.951 3.239 1.00 21.10 C ATOM 0 H ALA A 69 8.708 0.267 1.202 1.00 14.42 H new ATOM 0 HA ALA A 69 10.363 -2.118 1.663 1.00 73.43 H new ATOM 0 HB1 ALA A 69 9.727 -1.747 3.971 1.00 21.10 H new ATOM 0 HB2 ALA A 69 10.451 -0.284 3.260 1.00 21.10 H new ATOM 0 HB3 ALA A 69 8.688 -0.387 3.482 1.00 21.10 H new ATOM 1035 N VAL A 70 8.450 -3.751 1.980 1.00 33.01 N ATOM 1036 CA VAL A 70 7.364 -4.686 1.788 1.00 53.15 C ATOM 1037 C VAL A 70 7.305 -5.767 2.872 1.00 34.14 C ATOM 1038 O VAL A 70 8.314 -6.354 3.244 1.00 50.32 O ATOM 1039 CB VAL A 70 7.380 -5.293 0.341 1.00 21.43 C ATOM 1040 CG1 VAL A 70 8.689 -6.012 0.019 1.00 61.44 C ATOM 1041 CG2 VAL A 70 6.187 -6.198 0.099 1.00 21.03 C ATOM 0 H VAL A 70 9.333 -4.164 2.279 1.00 33.01 H new ATOM 0 HA VAL A 70 6.440 -4.116 1.892 1.00 53.15 H new ATOM 0 HB VAL A 70 7.305 -4.448 -0.344 1.00 21.43 H new ATOM 0 HG11 VAL A 70 8.645 -6.412 -0.994 1.00 61.44 H new ATOM 0 HG12 VAL A 70 9.519 -5.309 0.096 1.00 61.44 H new ATOM 0 HG13 VAL A 70 8.839 -6.828 0.725 1.00 61.44 H new ATOM 0 HG21 VAL A 70 6.234 -6.599 -0.914 1.00 21.03 H new ATOM 0 HG22 VAL A 70 6.202 -7.019 0.815 1.00 21.03 H new ATOM 0 HG23 VAL A 70 5.267 -5.627 0.221 1.00 21.03 H new ATOM 1051 N LEU A 71 6.115 -6.007 3.366 1.00 74.21 N ATOM 1052 CA LEU A 71 5.877 -6.991 4.413 1.00 20.33 C ATOM 1053 C LEU A 71 4.942 -8.055 3.914 1.00 74.54 C ATOM 1054 O LEU A 71 3.933 -7.754 3.292 1.00 44.32 O ATOM 1055 CB LEU A 71 5.232 -6.335 5.642 1.00 41.12 C ATOM 1056 CG LEU A 71 6.046 -5.244 6.340 1.00 54.44 C ATOM 1057 CD1 LEU A 71 5.271 -4.679 7.518 1.00 5.41 C ATOM 1058 CD2 LEU A 71 7.391 -5.787 6.810 1.00 72.24 C ATOM 0 H LEU A 71 5.272 -5.525 3.055 1.00 74.21 H new ATOM 0 HA LEU A 71 6.840 -7.423 4.687 1.00 20.33 H new ATOM 0 HB2 LEU A 71 4.277 -5.906 5.338 1.00 41.12 H new ATOM 0 HB3 LEU A 71 5.013 -7.116 6.370 1.00 41.12 H new ATOM 0 HG LEU A 71 6.229 -4.445 5.621 1.00 54.44 H new ATOM 0 HD11 LEU A 71 5.863 -3.904 8.005 1.00 5.41 H new ATOM 0 HD12 LEU A 71 4.333 -4.251 7.165 1.00 5.41 H new ATOM 0 HD13 LEU A 71 5.060 -5.476 8.231 1.00 5.41 H new ATOM 0 HD21 LEU A 71 7.952 -4.993 7.303 1.00 72.24 H new ATOM 0 HD22 LEU A 71 7.228 -6.605 7.511 1.00 72.24 H new ATOM 0 HD23 LEU A 71 7.956 -6.151 5.952 1.00 72.24 H new ATOM 1070 N LYS A 72 5.266 -9.286 4.161 1.00 43.44 N ATOM 1071 CA LYS A 72 4.394 -10.354 3.789 1.00 33.13 C ATOM 1072 C LYS A 72 3.813 -10.973 5.020 1.00 75.23 C ATOM 1073 O LYS A 72 4.535 -11.302 5.965 1.00 33.21 O ATOM 1074 CB LYS A 72 5.112 -11.400 2.957 1.00 42.24 C ATOM 1075 CG LYS A 72 4.226 -12.543 2.468 1.00 21.35 C ATOM 1076 CD LYS A 72 5.010 -13.480 1.572 1.00 64.24 C ATOM 1077 CE LYS A 72 4.129 -14.554 0.965 1.00 62.24 C ATOM 1078 NZ LYS A 72 4.864 -15.346 -0.045 1.00 72.52 N ATOM 0 H LYS A 72 6.130 -9.576 4.620 1.00 43.44 H new ATOM 0 HA LYS A 72 3.594 -9.945 3.173 1.00 33.13 H new ATOM 0 HB2 LYS A 72 5.562 -10.911 2.093 1.00 42.24 H new ATOM 0 HB3 LYS A 72 5.928 -11.817 3.547 1.00 42.24 H new ATOM 0 HG2 LYS A 72 3.830 -13.094 3.321 1.00 21.35 H new ATOM 0 HG3 LYS A 72 3.372 -12.141 1.924 1.00 21.35 H new ATOM 0 HD2 LYS A 72 5.485 -12.907 0.775 1.00 64.24 H new ATOM 0 HD3 LYS A 72 5.809 -13.948 2.147 1.00 64.24 H new ATOM 0 HE2 LYS A 72 3.763 -15.214 1.751 1.00 62.24 H new ATOM 0 HE3 LYS A 72 3.256 -14.093 0.503 1.00 62.24 H new ATOM 0 HZ1 LYS A 72 4.262 -16.125 -0.380 1.00 72.52 H new ATOM 0 HZ2 LYS A 72 5.119 -14.735 -0.847 1.00 72.52 H new ATOM 0 HZ3 LYS A 72 5.729 -15.736 0.381 1.00 72.52 H new ATOM 1092 N ARG A 73 2.533 -11.105 5.025 1.00 2.24 N ATOM 1093 CA ARG A 73 1.853 -11.710 6.139 1.00 44.45 C ATOM 1094 C ARG A 73 1.383 -13.074 5.699 1.00 42.44 C ATOM 1095 O ARG A 73 1.895 -14.097 6.139 1.00 44.43 O ATOM 1096 CB ARG A 73 0.655 -10.847 6.581 1.00 10.33 C ATOM 1097 CG ARG A 73 -0.102 -11.350 7.827 1.00 73.20 C ATOM 1098 CD ARG A 73 0.667 -11.153 9.157 1.00 55.32 C ATOM 1099 NE ARG A 73 1.986 -11.799 9.193 1.00 4.12 N ATOM 1100 CZ ARG A 73 2.364 -12.756 10.049 1.00 14.10 C ATOM 1101 NH1 ARG A 73 1.502 -13.256 10.925 1.00 41.35 N ATOM 1102 NH2 ARG A 73 3.603 -13.218 10.011 1.00 23.03 N ATOM 0 H ARG A 73 1.922 -10.802 4.267 1.00 2.24 H new ATOM 0 HA ARG A 73 2.527 -11.793 6.992 1.00 44.45 H new ATOM 0 HB2 ARG A 73 1.011 -9.836 6.777 1.00 10.33 H new ATOM 0 HB3 ARG A 73 -0.049 -10.782 5.751 1.00 10.33 H new ATOM 0 HG2 ARG A 73 -1.058 -10.831 7.892 1.00 73.20 H new ATOM 0 HG3 ARG A 73 -0.323 -12.410 7.701 1.00 73.20 H new ATOM 0 HD2 ARG A 73 0.793 -10.085 9.336 1.00 55.32 H new ATOM 0 HD3 ARG A 73 0.061 -11.544 9.975 1.00 55.32 H new ATOM 0 HE ARG A 73 2.674 -11.491 8.506 1.00 4.12 H new ATOM 0 HH11 ARG A 73 0.542 -12.911 10.950 1.00 41.35 H new ATOM 0 HH12 ARG A 73 1.799 -13.985 11.574 1.00 41.35 H new ATOM 0 HH21 ARG A 73 4.266 -12.845 9.331 1.00 23.03 H new ATOM 0 HH22 ARG A 73 3.896 -13.947 10.661 1.00 23.03 H new ATOM 1116 N ASP A 74 0.436 -13.060 4.791 1.00 53.44 N ATOM 1117 CA ASP A 74 -0.135 -14.250 4.195 1.00 64.10 C ATOM 1118 C ASP A 74 -1.104 -13.821 3.138 1.00 31.14 C ATOM 1119 O ASP A 74 -1.989 -12.994 3.409 1.00 62.31 O ATOM 1120 CB ASP A 74 -0.867 -15.110 5.232 1.00 31.30 C ATOM 1121 CG ASP A 74 -1.503 -16.341 4.619 1.00 31.53 C ATOM 1122 OD1 ASP A 74 -0.811 -17.381 4.499 1.00 63.25 O ATOM 1123 OD2 ASP A 74 -2.703 -16.290 4.268 1.00 50.35 O ATOM 0 H ASP A 74 0.028 -12.196 4.434 1.00 53.44 H new ATOM 0 HA ASP A 74 0.670 -14.853 3.775 1.00 64.10 H new ATOM 0 HB2 ASP A 74 -0.164 -15.416 6.007 1.00 31.30 H new ATOM 0 HB3 ASP A 74 -1.637 -14.511 5.718 1.00 31.30 H new ATOM 1128 N GLY A 75 -0.917 -14.305 1.944 1.00 23.32 N ATOM 1129 CA GLY A 75 -1.814 -13.992 0.862 1.00 35.24 C ATOM 1130 C GLY A 75 -1.427 -12.733 0.111 1.00 63.52 C ATOM 1131 O GLY A 75 -1.444 -12.709 -1.116 1.00 55.11 O ATOM 0 H GLY A 75 -0.146 -14.923 1.691 1.00 23.32 H new ATOM 0 HA2 GLY A 75 -1.839 -14.830 0.165 1.00 35.24 H new ATOM 0 HA3 GLY A 75 -2.823 -13.876 1.257 1.00 35.24 H new ATOM 1135 N ARG A 76 -1.066 -11.686 0.832 1.00 32.23 N ATOM 1136 CA ARG A 76 -0.750 -10.427 0.204 1.00 1.35 C ATOM 1137 C ARG A 76 0.475 -9.777 0.805 1.00 43.13 C ATOM 1138 O ARG A 76 0.941 -10.167 1.897 1.00 31.14 O ATOM 1139 CB ARG A 76 -1.926 -9.477 0.281 1.00 44.34 C ATOM 1140 CG ARG A 76 -2.354 -9.116 1.694 1.00 30.43 C ATOM 1141 CD ARG A 76 -3.511 -8.165 1.642 1.00 35.42 C ATOM 1142 NE ARG A 76 -3.975 -7.745 2.951 1.00 54.23 N ATOM 1143 CZ ARG A 76 -4.876 -6.779 3.141 1.00 53.33 C ATOM 1144 NH1 ARG A 76 -5.404 -6.137 2.093 1.00 20.33 N ATOM 1145 NH2 ARG A 76 -5.257 -6.461 4.370 1.00 13.41 N ATOM 0 H ARG A 76 -0.986 -11.688 1.849 1.00 32.23 H new ATOM 0 HA ARG A 76 -0.531 -10.645 -0.841 1.00 1.35 H new ATOM 0 HB2 ARG A 76 -1.673 -8.561 -0.253 1.00 44.34 H new ATOM 0 HB3 ARG A 76 -2.773 -9.925 -0.238 1.00 44.34 H new ATOM 0 HG2 ARG A 76 -2.635 -10.016 2.241 1.00 30.43 H new ATOM 0 HG3 ARG A 76 -1.522 -8.663 2.232 1.00 30.43 H new ATOM 0 HD2 ARG A 76 -3.222 -7.285 1.068 1.00 35.42 H new ATOM 0 HD3 ARG A 76 -4.335 -8.637 1.107 1.00 35.42 H new ATOM 0 HE ARG A 76 -3.591 -8.214 3.771 1.00 54.23 H new ATOM 0 HH11 ARG A 76 -5.118 -6.385 1.146 1.00 20.33 H new ATOM 0 HH12 ARG A 76 -6.092 -5.399 2.241 1.00 20.33 H new ATOM 0 HH21 ARG A 76 -4.862 -6.955 5.170 1.00 13.41 H new ATOM 0 HH22 ARG A 76 -5.946 -5.723 4.516 1.00 13.41 H new ATOM 1159 N TYR A 77 0.990 -8.801 0.090 1.00 10.31 N ATOM 1160 CA TYR A 77 2.151 -8.047 0.492 1.00 4.20 C ATOM 1161 C TYR A 77 1.743 -6.629 0.880 1.00 54.22 C ATOM 1162 O TYR A 77 0.868 -6.026 0.248 1.00 55.03 O ATOM 1163 CB TYR A 77 3.181 -8.017 -0.647 1.00 2.11 C ATOM 1164 CG TYR A 77 3.745 -9.383 -1.001 1.00 35.33 C ATOM 1165 CD1 TYR A 77 3.079 -10.235 -1.878 1.00 13.51 C ATOM 1166 CD2 TYR A 77 4.933 -9.818 -0.444 1.00 55.11 C ATOM 1167 CE1 TYR A 77 3.589 -11.486 -2.181 1.00 73.22 C ATOM 1168 CE2 TYR A 77 5.452 -11.058 -0.746 1.00 11.13 C ATOM 1169 CZ TYR A 77 4.778 -11.890 -1.611 1.00 11.42 C ATOM 1170 OH TYR A 77 5.289 -13.150 -1.895 1.00 21.02 O ATOM 0 H TYR A 77 0.603 -8.505 -0.806 1.00 10.31 H new ATOM 0 HA TYR A 77 2.606 -8.528 1.358 1.00 4.20 H new ATOM 0 HB2 TYR A 77 2.716 -7.586 -1.533 1.00 2.11 H new ATOM 0 HB3 TYR A 77 4.002 -7.358 -0.365 1.00 2.11 H new ATOM 0 HD1 TYR A 77 2.151 -9.915 -2.329 1.00 13.51 H new ATOM 0 HD2 TYR A 77 5.464 -9.174 0.241 1.00 55.11 H new ATOM 0 HE1 TYR A 77 3.060 -12.140 -2.858 1.00 73.22 H new ATOM 0 HE2 TYR A 77 6.385 -11.376 -0.305 1.00 11.13 H new ATOM 0 HH TYR A 77 5.819 -13.110 -2.718 1.00 21.02 H new ATOM 1180 N ILE A 78 2.341 -6.117 1.921 1.00 42.42 N ATOM 1181 CA ILE A 78 2.055 -4.786 2.392 1.00 44.24 C ATOM 1182 C ILE A 78 3.199 -3.888 1.948 1.00 54.52 C ATOM 1183 O ILE A 78 4.349 -4.157 2.265 1.00 2.25 O ATOM 1184 CB ILE A 78 1.988 -4.736 3.948 1.00 61.11 C ATOM 1185 CG1 ILE A 78 1.160 -5.899 4.518 1.00 35.12 C ATOM 1186 CG2 ILE A 78 1.385 -3.414 4.402 1.00 53.42 C ATOM 1187 CD1 ILE A 78 -0.267 -5.943 4.043 1.00 25.44 C ATOM 0 H ILE A 78 3.044 -6.612 2.470 1.00 42.42 H new ATOM 0 HA ILE A 78 1.093 -4.467 1.990 1.00 44.24 H new ATOM 0 HB ILE A 78 3.007 -4.827 4.324 1.00 61.11 H new ATOM 0 HG12 ILE A 78 1.646 -6.838 4.254 1.00 35.12 H new ATOM 0 HG13 ILE A 78 1.165 -5.833 5.606 1.00 35.12 H new ATOM 0 HG21 ILE A 78 1.342 -3.388 5.491 1.00 53.42 H new ATOM 0 HG22 ILE A 78 2.002 -2.590 4.044 1.00 53.42 H new ATOM 0 HG23 ILE A 78 0.378 -3.315 3.997 1.00 53.42 H new ATOM 0 HD11 ILE A 78 -0.775 -6.795 4.495 1.00 25.44 H new ATOM 0 HD12 ILE A 78 -0.775 -5.023 4.331 1.00 25.44 H new ATOM 0 HD13 ILE A 78 -0.286 -6.044 2.958 1.00 25.44 H new ATOM 1199 N TYR A 79 2.889 -2.853 1.231 1.00 44.34 N ATOM 1200 CA TYR A 79 3.888 -1.952 0.718 1.00 73.32 C ATOM 1201 C TYR A 79 3.940 -0.664 1.497 1.00 22.42 C ATOM 1202 O TYR A 79 2.915 -0.170 2.023 1.00 73.52 O ATOM 1203 CB TYR A 79 3.650 -1.649 -0.756 1.00 11.40 C ATOM 1204 CG TYR A 79 3.774 -2.841 -1.656 1.00 63.21 C ATOM 1205 CD1 TYR A 79 2.682 -3.643 -1.939 1.00 42.35 C ATOM 1206 CD2 TYR A 79 4.989 -3.164 -2.225 1.00 71.12 C ATOM 1207 CE1 TYR A 79 2.801 -4.735 -2.763 1.00 33.42 C ATOM 1208 CE2 TYR A 79 5.120 -4.250 -3.045 1.00 35.23 C ATOM 1209 CZ TYR A 79 4.029 -5.033 -3.314 1.00 53.13 C ATOM 1210 OH TYR A 79 4.182 -6.135 -4.128 1.00 72.11 O ATOM 0 H TYR A 79 1.932 -2.603 0.981 1.00 44.34 H new ATOM 0 HA TYR A 79 4.848 -2.456 0.829 1.00 73.32 H new ATOM 0 HB2 TYR A 79 2.653 -1.223 -0.871 1.00 11.40 H new ATOM 0 HB3 TYR A 79 4.361 -0.889 -1.079 1.00 11.40 H new ATOM 0 HD1 TYR A 79 1.722 -3.406 -1.505 1.00 42.35 H new ATOM 0 HD2 TYR A 79 5.852 -2.548 -2.019 1.00 71.12 H new ATOM 0 HE1 TYR A 79 1.942 -5.354 -2.977 1.00 33.42 H new ATOM 0 HE2 TYR A 79 6.080 -4.489 -3.479 1.00 35.23 H new ATOM 0 HH TYR A 79 3.846 -5.928 -5.025 1.00 72.11 H new ATOM 1220 N TYR A 80 5.122 -0.139 1.593 1.00 54.35 N ATOM 1221 CA TYR A 80 5.388 1.107 2.239 1.00 51.21 C ATOM 1222 C TYR A 80 6.315 1.941 1.368 1.00 73.01 C ATOM 1223 O TYR A 80 7.503 1.646 1.250 1.00 55.04 O ATOM 1224 CB TYR A 80 6.015 0.877 3.612 1.00 52.13 C ATOM 1225 CG TYR A 80 5.116 0.184 4.606 1.00 42.24 C ATOM 1226 CD1 TYR A 80 5.052 -1.199 4.669 1.00 11.02 C ATOM 1227 CD2 TYR A 80 4.330 0.916 5.478 1.00 72.33 C ATOM 1228 CE1 TYR A 80 4.236 -1.828 5.570 1.00 25.10 C ATOM 1229 CE2 TYR A 80 3.503 0.291 6.386 1.00 44.41 C ATOM 1230 CZ TYR A 80 3.460 -1.083 6.427 1.00 20.11 C ATOM 1231 OH TYR A 80 2.635 -1.713 7.321 1.00 61.52 O ATOM 0 H TYR A 80 5.957 -0.583 1.210 1.00 54.35 H new ATOM 0 HA TYR A 80 4.449 1.642 2.380 1.00 51.21 H new ATOM 0 HB2 TYR A 80 6.922 0.285 3.488 1.00 52.13 H new ATOM 0 HB3 TYR A 80 6.317 1.840 4.025 1.00 52.13 H new ATOM 0 HD1 TYR A 80 5.656 -1.790 3.996 1.00 11.02 H new ATOM 0 HD2 TYR A 80 4.365 1.995 5.447 1.00 72.33 H new ATOM 0 HE1 TYR A 80 4.202 -2.907 5.608 1.00 25.10 H new ATOM 0 HE2 TYR A 80 2.894 0.875 7.060 1.00 44.41 H new ATOM 0 HH TYR A 80 2.780 -1.343 8.217 1.00 61.52 H new ATOM 1241 N LEU A 81 5.745 2.931 0.731 1.00 62.23 N ATOM 1242 CA LEU A 81 6.453 3.837 -0.153 1.00 55.24 C ATOM 1243 C LEU A 81 7.267 4.777 0.681 1.00 63.14 C ATOM 1244 O LEU A 81 6.714 5.498 1.510 1.00 54.40 O ATOM 1245 CB LEU A 81 5.430 4.656 -0.952 1.00 74.20 C ATOM 1246 CG LEU A 81 4.388 3.860 -1.730 1.00 33.42 C ATOM 1247 CD1 LEU A 81 3.430 4.786 -2.449 1.00 11.43 C ATOM 1248 CD2 LEU A 81 5.050 2.920 -2.701 1.00 3.53 C ATOM 0 H LEU A 81 4.750 3.140 0.811 1.00 62.23 H new ATOM 0 HA LEU A 81 7.094 3.274 -0.831 1.00 55.24 H new ATOM 0 HB2 LEU A 81 4.909 5.319 -0.262 1.00 74.20 H new ATOM 0 HB3 LEU A 81 5.972 5.289 -1.655 1.00 74.20 H new ATOM 0 HG LEU A 81 3.815 3.266 -1.018 1.00 33.42 H new ATOM 0 HD11 LEU A 81 2.696 4.196 -2.997 1.00 11.43 H new ATOM 0 HD12 LEU A 81 2.919 5.417 -1.722 1.00 11.43 H new ATOM 0 HD13 LEU A 81 3.985 5.413 -3.147 1.00 11.43 H new ATOM 0 HD21 LEU A 81 4.288 2.362 -3.245 1.00 3.53 H new ATOM 0 HD22 LEU A 81 5.654 3.491 -3.406 1.00 3.53 H new ATOM 0 HD23 LEU A 81 5.689 2.225 -2.156 1.00 3.53 H new ATOM 1260 N ILE A 82 8.542 4.777 0.494 1.00 43.24 N ATOM 1261 CA ILE A 82 9.385 5.639 1.271 1.00 23.15 C ATOM 1262 C ILE A 82 9.565 6.936 0.532 1.00 40.34 C ATOM 1263 O ILE A 82 10.226 6.998 -0.516 1.00 32.22 O ATOM 1264 CB ILE A 82 10.752 5.003 1.559 1.00 44.44 C ATOM 1265 CG1 ILE A 82 10.606 3.603 2.199 1.00 3.05 C ATOM 1266 CG2 ILE A 82 11.520 5.902 2.482 1.00 0.42 C ATOM 1267 CD1 ILE A 82 9.944 3.584 3.566 1.00 40.23 C ATOM 0 H ILE A 82 9.029 4.194 -0.187 1.00 43.24 H new ATOM 0 HA ILE A 82 8.904 5.813 2.234 1.00 23.15 H new ATOM 0 HB ILE A 82 11.283 4.882 0.615 1.00 44.44 H new ATOM 0 HG12 ILE A 82 10.029 2.971 1.524 1.00 3.05 H new ATOM 0 HG13 ILE A 82 11.596 3.156 2.286 1.00 3.05 H new ATOM 0 HG21 ILE A 82 12.494 5.460 2.694 1.00 0.42 H new ATOM 0 HG22 ILE A 82 11.658 6.875 2.011 1.00 0.42 H new ATOM 0 HG23 ILE A 82 10.967 6.025 3.413 1.00 0.42 H new ATOM 0 HD11 ILE A 82 9.888 2.558 3.929 1.00 40.23 H new ATOM 0 HD12 ILE A 82 10.530 4.184 4.262 1.00 40.23 H new ATOM 0 HD13 ILE A 82 8.938 3.996 3.489 1.00 40.23 H new ATOM 1279 N THR A 83 8.955 7.948 1.053 1.00 30.44 N ATOM 1280 CA THR A 83 8.988 9.237 0.467 1.00 72.23 C ATOM 1281 C THR A 83 10.109 10.096 1.041 1.00 34.24 C ATOM 1282 O THR A 83 11.040 10.482 0.324 1.00 13.24 O ATOM 1283 CB THR A 83 7.632 9.938 0.672 1.00 30.33 C ATOM 1284 OG1 THR A 83 7.253 9.861 2.061 1.00 63.15 O ATOM 1285 CG2 THR A 83 6.553 9.301 -0.192 1.00 53.13 C ATOM 0 H THR A 83 8.411 7.896 1.914 1.00 30.44 H new ATOM 0 HA THR A 83 9.182 9.112 -0.598 1.00 72.23 H new ATOM 0 HB THR A 83 7.735 10.982 0.376 1.00 30.33 H new ATOM 0 HG1 THR A 83 6.391 10.309 2.190 1.00 63.15 H new ATOM 0 HG21 THR A 83 5.606 9.815 -0.028 1.00 53.13 H new ATOM 0 HG22 THR A 83 6.833 9.382 -1.242 1.00 53.13 H new ATOM 0 HG23 THR A 83 6.447 8.250 0.075 1.00 53.13 H new ATOM 1293 N LYS A 84 10.048 10.360 2.331 1.00 1.20 N ATOM 1294 CA LYS A 84 10.955 11.317 2.952 1.00 4.33 C ATOM 1295 C LYS A 84 11.425 10.840 4.322 1.00 72.41 C ATOM 1296 O LYS A 84 10.963 9.834 4.812 1.00 51.11 O ATOM 1297 CB LYS A 84 10.265 12.685 3.073 1.00 4.32 C ATOM 1298 CG LYS A 84 9.899 13.358 1.739 1.00 22.11 C ATOM 1299 CD LYS A 84 11.138 13.693 0.924 1.00 31.52 C ATOM 1300 CE LYS A 84 10.793 14.331 -0.405 1.00 41.15 C ATOM 1301 NZ LYS A 84 12.011 14.668 -1.173 1.00 55.44 N ATOM 0 H LYS A 84 9.383 9.928 2.972 1.00 1.20 H new ATOM 0 HA LYS A 84 11.836 11.409 2.316 1.00 4.33 H new ATOM 0 HB2 LYS A 84 9.355 12.564 3.661 1.00 4.32 H new ATOM 0 HB3 LYS A 84 10.919 13.355 3.631 1.00 4.32 H new ATOM 0 HG2 LYS A 84 9.251 12.697 1.163 1.00 22.11 H new ATOM 0 HG3 LYS A 84 9.333 14.269 1.933 1.00 22.11 H new ATOM 0 HD2 LYS A 84 11.775 14.369 1.495 1.00 31.52 H new ATOM 0 HD3 LYS A 84 11.713 12.784 0.750 1.00 31.52 H new ATOM 0 HE2 LYS A 84 10.171 13.651 -0.986 1.00 41.15 H new ATOM 0 HE3 LYS A 84 10.206 15.234 -0.236 1.00 41.15 H new ATOM 0 HZ1 LYS A 84 11.741 15.103 -2.078 1.00 55.44 H new ATOM 0 HZ2 LYS A 84 12.592 15.336 -0.627 1.00 55.44 H new ATOM 0 HZ3 LYS A 84 12.558 13.802 -1.355 1.00 55.44 H new ATOM 1315 N LYS A 85 12.337 11.591 4.941 1.00 25.23 N ATOM 1316 CA LYS A 85 12.926 11.209 6.245 1.00 24.23 C ATOM 1317 C LYS A 85 11.932 11.339 7.379 1.00 2.00 C ATOM 1318 O LYS A 85 11.982 10.598 8.361 1.00 52.30 O ATOM 1319 CB LYS A 85 14.159 12.068 6.550 1.00 63.53 C ATOM 1320 CG LYS A 85 15.152 12.039 5.434 1.00 52.52 C ATOM 1321 CD LYS A 85 16.431 12.773 5.723 1.00 31.43 C ATOM 1322 CE LYS A 85 17.326 12.724 4.489 1.00 53.44 C ATOM 1323 NZ LYS A 85 17.614 11.323 4.065 1.00 73.12 N ATOM 0 H LYS A 85 12.691 12.471 4.567 1.00 25.23 H new ATOM 0 HA LYS A 85 13.216 10.161 6.167 1.00 24.23 H new ATOM 0 HB2 LYS A 85 13.848 13.097 6.732 1.00 63.53 H new ATOM 0 HB3 LYS A 85 14.632 11.711 7.465 1.00 63.53 H new ATOM 0 HG2 LYS A 85 15.388 11.001 5.200 1.00 52.52 H new ATOM 0 HG3 LYS A 85 14.693 12.470 4.544 1.00 52.52 H new ATOM 0 HD2 LYS A 85 16.218 13.808 5.992 1.00 31.43 H new ATOM 0 HD3 LYS A 85 16.940 12.321 6.574 1.00 31.43 H new ATOM 0 HE2 LYS A 85 16.845 13.259 3.670 1.00 53.44 H new ATOM 0 HE3 LYS A 85 18.263 13.239 4.700 1.00 53.44 H new ATOM 0 HZ1 LYS A 85 18.378 11.324 3.359 1.00 73.12 H new ATOM 0 HZ2 LYS A 85 17.906 10.763 4.891 1.00 73.12 H new ATOM 0 HZ3 LYS A 85 16.758 10.904 3.648 1.00 73.12 H new ATOM 1337 N ARG A 86 11.033 12.267 7.252 1.00 12.34 N ATOM 1338 CA ARG A 86 10.072 12.525 8.293 1.00 33.42 C ATOM 1339 C ARG A 86 8.706 12.459 7.699 1.00 43.13 C ATOM 1340 O ARG A 86 8.524 12.855 6.557 1.00 10.23 O ATOM 1341 CB ARG A 86 10.301 13.921 8.910 1.00 53.15 C ATOM 1342 CG ARG A 86 11.708 14.151 9.449 1.00 40.54 C ATOM 1343 CD ARG A 86 12.018 13.173 10.527 1.00 75.24 C ATOM 1344 NE ARG A 86 13.406 13.254 10.994 1.00 24.33 N ATOM 1345 CZ ARG A 86 14.293 12.244 10.905 1.00 71.34 C ATOM 1346 NH1 ARG A 86 13.984 11.145 10.217 1.00 1.31 N ATOM 1347 NH2 ARG A 86 15.485 12.354 11.464 1.00 54.53 N ATOM 0 H ARG A 86 10.941 12.866 6.432 1.00 12.34 H new ATOM 0 HA ARG A 86 10.182 11.781 9.082 1.00 33.42 H new ATOM 0 HB2 ARG A 86 10.087 14.677 8.155 1.00 53.15 H new ATOM 0 HB3 ARG A 86 9.587 14.068 9.720 1.00 53.15 H new ATOM 0 HG2 ARG A 86 12.434 14.054 8.642 1.00 40.54 H new ATOM 0 HG3 ARG A 86 11.795 15.167 9.835 1.00 40.54 H new ATOM 0 HD2 ARG A 86 11.347 13.344 11.369 1.00 75.24 H new ATOM 0 HD3 ARG A 86 11.822 12.165 10.162 1.00 75.24 H new ATOM 0 HE ARG A 86 13.719 14.130 11.412 1.00 24.33 H new ATOM 0 HH11 ARG A 86 13.076 11.069 9.758 1.00 1.31 H new ATOM 0 HH12 ARG A 86 14.655 10.380 10.149 1.00 1.31 H new ATOM 0 HH21 ARG A 86 15.737 13.206 11.965 1.00 54.53 H new ATOM 0 HH22 ARG A 86 16.154 11.587 11.394 1.00 54.53 H new ATOM 1361 N ALA A 87 7.749 11.978 8.459 1.00 25.15 N ATOM 1362 CA ALA A 87 6.370 11.882 7.991 1.00 33.03 C ATOM 1363 C ALA A 87 5.738 13.269 7.925 1.00 4.20 C ATOM 1364 O ALA A 87 4.638 13.445 7.425 1.00 50.21 O ATOM 1365 CB ALA A 87 5.556 10.960 8.880 1.00 51.01 C ATOM 0 H ALA A 87 7.894 11.643 9.411 1.00 25.15 H new ATOM 0 HA ALA A 87 6.377 11.455 6.988 1.00 33.03 H new ATOM 0 HB1 ALA A 87 4.533 10.907 8.509 1.00 51.01 H new ATOM 0 HB2 ALA A 87 5.997 9.963 8.872 1.00 51.01 H new ATOM 0 HB3 ALA A 87 5.552 11.347 9.899 1.00 51.01 H new ATOM 1371 N SER A 88 6.443 14.240 8.478 1.00 55.23 N ATOM 1372 CA SER A 88 6.028 15.610 8.427 1.00 30.44 C ATOM 1373 C SER A 88 6.631 16.288 7.180 1.00 61.30 C ATOM 1374 O SER A 88 6.403 17.468 6.935 1.00 23.43 O ATOM 1375 CB SER A 88 6.455 16.336 9.719 1.00 70.35 C ATOM 1376 OG SER A 88 5.981 17.679 9.767 1.00 5.14 O ATOM 0 H SER A 88 7.321 14.089 8.974 1.00 55.23 H new ATOM 0 HA SER A 88 4.942 15.662 8.354 1.00 30.44 H new ATOM 0 HB2 SER A 88 6.077 15.789 10.582 1.00 70.35 H new ATOM 0 HB3 SER A 88 7.543 16.334 9.792 1.00 70.35 H new ATOM 0 HG SER A 88 6.009 18.068 8.868 1.00 5.14 H new ATOM 1382 N HIS A 89 7.397 15.528 6.391 1.00 61.53 N ATOM 1383 CA HIS A 89 7.957 16.061 5.161 1.00 14.43 C ATOM 1384 C HIS A 89 6.992 15.905 4.061 1.00 72.12 C ATOM 1385 O HIS A 89 6.241 14.936 4.014 1.00 50.34 O ATOM 1386 CB HIS A 89 9.270 15.397 4.740 1.00 13.20 C ATOM 1387 CG HIS A 89 10.476 15.795 5.506 1.00 22.21 C ATOM 1388 ND1 HIS A 89 10.601 16.357 6.703 1.00 74.33 N flip ATOM 1389 CD2 HIS A 89 11.755 15.585 5.050 1.00 23.11 C flip ATOM 1390 CE1 HIS A 89 11.942 16.475 6.962 1.00 52.25 C flip ATOM 1391 NE2 HIS A 89 12.611 15.996 5.942 1.00 12.42 N flip ATOM 0 H HIS A 89 7.637 14.556 6.584 1.00 61.53 H new ATOM 0 HA HIS A 89 8.169 17.111 5.365 1.00 14.43 H new ATOM 0 HB2 HIS A 89 9.151 14.317 4.824 1.00 13.20 H new ATOM 0 HB3 HIS A 89 9.444 15.617 3.687 1.00 13.20 H new ATOM 0 HD2 HIS A 89 12.012 15.146 4.097 1.00 23.11 H new ATOM 0 HE1 HIS A 89 12.375 16.893 7.858 1.00 52.25 H new ATOM 0 HE2 HIS A 89 13.627 15.952 5.861 1.00 12.42 H new ATOM 1400 N LYS A 90 7.018 16.828 3.185 1.00 23.34 N ATOM 1401 CA LYS A 90 6.134 16.795 2.042 1.00 3.13 C ATOM 1402 C LYS A 90 6.720 15.947 0.923 1.00 62.42 C ATOM 1403 O LYS A 90 7.860 16.159 0.503 1.00 74.00 O ATOM 1404 CB LYS A 90 5.828 18.195 1.519 1.00 52.31 C ATOM 1405 CG LYS A 90 5.121 19.100 2.506 1.00 42.14 C ATOM 1406 CD LYS A 90 4.772 20.419 1.852 1.00 53.23 C ATOM 1407 CE LYS A 90 4.024 21.340 2.792 1.00 34.10 C ATOM 1408 NZ LYS A 90 3.572 22.564 2.096 1.00 33.01 N ATOM 0 H LYS A 90 7.642 17.634 3.219 1.00 23.34 H new ATOM 0 HA LYS A 90 5.200 16.346 2.379 1.00 3.13 H new ATOM 0 HB2 LYS A 90 6.763 18.668 1.219 1.00 52.31 H new ATOM 0 HB3 LYS A 90 5.213 18.107 0.623 1.00 52.31 H new ATOM 0 HG2 LYS A 90 4.215 18.615 2.869 1.00 42.14 H new ATOM 0 HG3 LYS A 90 5.759 19.273 3.372 1.00 42.14 H new ATOM 0 HD2 LYS A 90 5.686 20.909 1.515 1.00 53.23 H new ATOM 0 HD3 LYS A 90 4.164 20.234 0.966 1.00 53.23 H new ATOM 0 HE2 LYS A 90 3.163 20.817 3.209 1.00 34.10 H new ATOM 0 HE3 LYS A 90 4.668 21.611 3.628 1.00 34.10 H new ATOM 0 HZ1 LYS A 90 3.138 23.213 2.782 1.00 33.01 H new ATOM 0 HZ2 LYS A 90 4.387 23.029 1.647 1.00 33.01 H new ATOM 0 HZ3 LYS A 90 2.873 22.312 1.368 1.00 33.01 H new ATOM 1422 N PRO A 91 5.966 14.966 0.438 1.00 34.45 N ATOM 1423 CA PRO A 91 6.389 14.144 -0.675 1.00 5.42 C ATOM 1424 C PRO A 91 6.236 14.918 -1.975 1.00 5.11 C ATOM 1425 O PRO A 91 5.467 15.887 -2.049 1.00 15.00 O ATOM 1426 CB PRO A 91 5.400 12.976 -0.643 1.00 4.15 C ATOM 1427 CG PRO A 91 4.166 13.559 -0.057 1.00 4.21 C ATOM 1428 CD PRO A 91 4.629 14.583 0.937 1.00 22.45 C ATOM 0 HA PRO A 91 7.431 13.829 -0.610 1.00 5.42 H new ATOM 0 HB2 PRO A 91 5.218 12.581 -1.642 1.00 4.15 H new ATOM 0 HB3 PRO A 91 5.777 12.151 -0.038 1.00 4.15 H new ATOM 0 HG2 PRO A 91 3.545 14.015 -0.828 1.00 4.21 H new ATOM 0 HG3 PRO A 91 3.562 12.791 0.426 1.00 4.21 H new ATOM 0 HD2 PRO A 91 3.955 15.438 0.976 1.00 22.45 H new ATOM 0 HD3 PRO A 91 4.679 14.171 1.945 1.00 22.45 H new ATOM 1436 N THR A 92 6.951 14.528 -2.975 1.00 54.42 N ATOM 1437 CA THR A 92 6.836 15.166 -4.235 1.00 31.41 C ATOM 1438 C THR A 92 6.218 14.181 -5.185 1.00 31.20 C ATOM 1439 O THR A 92 6.178 12.979 -4.876 1.00 52.42 O ATOM 1440 CB THR A 92 8.222 15.638 -4.768 1.00 21.12 C ATOM 1441 OG1 THR A 92 9.109 14.554 -4.898 1.00 61.15 O ATOM 1442 CG2 THR A 92 8.838 16.663 -3.859 1.00 22.23 C ATOM 0 H THR A 92 7.626 13.764 -2.940 1.00 54.42 H new ATOM 0 HA THR A 92 6.216 16.057 -4.140 1.00 31.41 H new ATOM 0 HB THR A 92 8.049 16.086 -5.747 1.00 21.12 H new ATOM 0 HG1 THR A 92 9.971 14.875 -5.236 1.00 61.15 H new ATOM 0 HG21 THR A 92 9.804 16.971 -4.260 1.00 22.23 H new ATOM 0 HG22 THR A 92 8.181 17.530 -3.790 1.00 22.23 H new ATOM 0 HG23 THR A 92 8.977 16.233 -2.867 1.00 22.23 H new ATOM 1450 N TYR A 93 5.720 14.646 -6.308 1.00 10.31 N ATOM 1451 CA TYR A 93 5.180 13.741 -7.295 1.00 61.51 C ATOM 1452 C TYR A 93 6.267 12.804 -7.780 1.00 52.00 C ATOM 1453 O TYR A 93 6.060 11.599 -7.899 1.00 12.33 O ATOM 1454 CB TYR A 93 4.596 14.492 -8.480 1.00 11.23 C ATOM 1455 CG TYR A 93 3.327 15.239 -8.183 1.00 12.21 C ATOM 1456 CD1 TYR A 93 2.113 14.593 -8.264 1.00 53.12 C ATOM 1457 CD2 TYR A 93 3.332 16.585 -7.855 1.00 10.01 C ATOM 1458 CE1 TYR A 93 0.944 15.252 -8.024 1.00 13.01 C ATOM 1459 CE2 TYR A 93 2.155 17.258 -7.624 1.00 52.21 C ATOM 1460 CZ TYR A 93 0.964 16.584 -7.711 1.00 5.44 C ATOM 1461 OH TYR A 93 -0.216 17.246 -7.498 1.00 63.22 O ATOM 0 H TYR A 93 5.678 15.634 -6.559 1.00 10.31 H new ATOM 0 HA TYR A 93 4.379 13.172 -6.823 1.00 61.51 H new ATOM 0 HB2 TYR A 93 5.340 15.198 -8.848 1.00 11.23 H new ATOM 0 HB3 TYR A 93 4.404 13.782 -9.285 1.00 11.23 H new ATOM 0 HD1 TYR A 93 2.087 13.545 -8.523 1.00 53.12 H new ATOM 0 HD2 TYR A 93 4.272 17.112 -7.780 1.00 10.01 H new ATOM 0 HE1 TYR A 93 0.004 14.724 -8.081 1.00 13.01 H new ATOM 0 HE2 TYR A 93 2.169 18.309 -7.376 1.00 52.21 H new ATOM 0 HH TYR A 93 -0.031 18.184 -7.285 1.00 63.22 H new ATOM 1471 N GLU A 94 7.433 13.370 -8.015 1.00 45.13 N ATOM 1472 CA GLU A 94 8.581 12.628 -8.496 1.00 14.02 C ATOM 1473 C GLU A 94 8.928 11.532 -7.489 1.00 11.10 C ATOM 1474 O GLU A 94 9.083 10.366 -7.838 1.00 23.15 O ATOM 1475 CB GLU A 94 9.812 13.543 -8.655 1.00 41.44 C ATOM 1476 CG GLU A 94 9.572 14.907 -9.319 1.00 10.11 C ATOM 1477 CD GLU A 94 9.005 15.943 -8.358 1.00 51.15 C ATOM 1478 OE1 GLU A 94 7.774 16.026 -8.193 1.00 72.33 O ATOM 1479 OE2 GLU A 94 9.802 16.680 -7.747 1.00 60.21 O ATOM 0 H GLU A 94 7.612 14.365 -7.877 1.00 45.13 H new ATOM 0 HA GLU A 94 8.326 12.203 -9.467 1.00 14.02 H new ATOM 0 HB2 GLU A 94 10.239 13.715 -7.667 1.00 41.44 H new ATOM 0 HB3 GLU A 94 10.562 13.008 -9.237 1.00 41.44 H new ATOM 0 HG2 GLU A 94 10.512 15.276 -9.730 1.00 10.11 H new ATOM 0 HG3 GLU A 94 8.886 14.782 -10.157 1.00 10.11 H new ATOM 1486 N ASN A 95 9.011 11.947 -6.241 1.00 5.21 N ATOM 1487 CA ASN A 95 9.335 11.101 -5.081 1.00 24.23 C ATOM 1488 C ASN A 95 8.336 9.966 -4.986 1.00 42.33 C ATOM 1489 O ASN A 95 8.700 8.800 -4.771 1.00 42.42 O ATOM 1490 CB ASN A 95 9.170 11.979 -3.850 1.00 41.24 C ATOM 1491 CG ASN A 95 9.629 11.413 -2.545 1.00 74.11 C ATOM 1492 OD1 ASN A 95 9.033 11.703 -1.517 1.00 53.53 O ATOM 1493 ND2 ASN A 95 10.707 10.690 -2.544 1.00 14.55 N ATOM 0 H ASN A 95 8.850 12.921 -5.983 1.00 5.21 H new ATOM 0 HA ASN A 95 10.341 10.691 -5.166 1.00 24.23 H new ATOM 0 HB2 ASN A 95 9.709 12.910 -4.024 1.00 41.24 H new ATOM 0 HB3 ASN A 95 8.115 12.235 -3.756 1.00 41.24 H new ATOM 0 HD21 ASN A 95 11.087 10.342 -1.664 1.00 14.55 H new ATOM 0 HD22 ASN A 95 11.175 10.470 -3.424 1.00 14.55 H new ATOM 1500 N LEU A 96 7.082 10.317 -5.144 1.00 60.04 N ATOM 1501 CA LEU A 96 6.010 9.377 -5.049 1.00 20.32 C ATOM 1502 C LEU A 96 6.059 8.340 -6.175 1.00 52.40 C ATOM 1503 O LEU A 96 6.033 7.145 -5.895 1.00 55.04 O ATOM 1504 CB LEU A 96 4.662 10.102 -5.022 1.00 42.20 C ATOM 1505 CG LEU A 96 3.417 9.234 -4.807 1.00 35.22 C ATOM 1506 CD1 LEU A 96 3.488 8.513 -3.467 1.00 51.53 C ATOM 1507 CD2 LEU A 96 2.172 10.091 -4.875 1.00 51.34 C ATOM 0 H LEU A 96 6.783 11.272 -5.343 1.00 60.04 H new ATOM 0 HA LEU A 96 6.128 8.834 -4.111 1.00 20.32 H new ATOM 0 HB2 LEU A 96 4.695 10.852 -4.231 1.00 42.20 H new ATOM 0 HB3 LEU A 96 4.545 10.637 -5.964 1.00 42.20 H new ATOM 0 HG LEU A 96 3.376 8.484 -5.597 1.00 35.22 H new ATOM 0 HD11 LEU A 96 2.595 7.903 -3.334 1.00 51.53 H new ATOM 0 HD12 LEU A 96 4.371 7.874 -3.444 1.00 51.53 H new ATOM 0 HD13 LEU A 96 3.549 9.246 -2.662 1.00 51.53 H new ATOM 0 HD21 LEU A 96 1.292 9.467 -4.721 1.00 51.34 H new ATOM 0 HD22 LEU A 96 2.214 10.856 -4.100 1.00 51.34 H new ATOM 0 HD23 LEU A 96 2.112 10.568 -5.853 1.00 51.34 H new ATOM 1519 N GLN A 97 6.179 8.781 -7.447 1.00 73.13 N ATOM 1520 CA GLN A 97 6.158 7.838 -8.558 1.00 34.54 C ATOM 1521 C GLN A 97 7.330 6.858 -8.469 1.00 51.13 C ATOM 1522 O GLN A 97 7.196 5.705 -8.851 1.00 24.31 O ATOM 1523 CB GLN A 97 6.146 8.527 -9.919 1.00 21.10 C ATOM 1524 CG GLN A 97 7.455 9.146 -10.329 1.00 15.53 C ATOM 1525 CD GLN A 97 7.406 9.780 -11.698 1.00 3.32 C ATOM 1526 OE1 GLN A 97 6.367 10.269 -12.142 1.00 24.03 O ATOM 1527 NE2 GLN A 97 8.507 9.756 -12.382 1.00 42.54 N ATOM 0 H GLN A 97 6.288 9.760 -7.713 1.00 73.13 H new ATOM 0 HA GLN A 97 5.224 7.284 -8.471 1.00 34.54 H new ATOM 0 HB2 GLN A 97 5.853 7.799 -10.676 1.00 21.10 H new ATOM 0 HB3 GLN A 97 5.381 9.303 -9.910 1.00 21.10 H new ATOM 0 HG2 GLN A 97 7.739 9.901 -9.595 1.00 15.53 H new ATOM 0 HG3 GLN A 97 8.232 8.381 -10.317 1.00 15.53 H new ATOM 0 HE21 GLN A 97 9.348 9.342 -11.980 1.00 42.54 H new ATOM 0 HE22 GLN A 97 8.532 10.151 -13.322 1.00 42.54 H new ATOM 1536 N LYS A 98 8.464 7.333 -7.926 1.00 75.44 N ATOM 1537 CA LYS A 98 9.642 6.497 -7.705 1.00 55.51 C ATOM 1538 C LYS A 98 9.283 5.278 -6.863 1.00 42.10 C ATOM 1539 O LYS A 98 9.725 4.153 -7.137 1.00 71.10 O ATOM 1540 CB LYS A 98 10.749 7.314 -7.028 1.00 54.41 C ATOM 1541 CG LYS A 98 11.395 8.356 -7.922 1.00 22.52 C ATOM 1542 CD LYS A 98 12.084 7.721 -9.122 1.00 4.30 C ATOM 1543 CE LYS A 98 12.735 8.759 -10.029 1.00 51.05 C ATOM 1544 NZ LYS A 98 13.804 9.526 -9.353 1.00 3.42 N ATOM 0 H LYS A 98 8.583 8.302 -7.632 1.00 75.44 H new ATOM 0 HA LYS A 98 10.008 6.147 -8.670 1.00 55.51 H new ATOM 0 HB2 LYS A 98 10.332 7.812 -6.152 1.00 54.41 H new ATOM 0 HB3 LYS A 98 11.520 6.632 -6.670 1.00 54.41 H new ATOM 0 HG2 LYS A 98 10.637 9.059 -8.268 1.00 22.52 H new ATOM 0 HG3 LYS A 98 12.122 8.929 -7.346 1.00 22.52 H new ATOM 0 HD2 LYS A 98 12.842 7.019 -8.774 1.00 4.30 H new ATOM 0 HD3 LYS A 98 11.356 7.146 -9.695 1.00 4.30 H new ATOM 0 HE2 LYS A 98 13.151 8.259 -10.904 1.00 51.05 H new ATOM 0 HE3 LYS A 98 11.972 9.449 -10.389 1.00 51.05 H new ATOM 0 HZ1 LYS A 98 14.300 10.118 -10.049 1.00 3.42 H new ATOM 0 HZ2 LYS A 98 13.385 10.132 -8.619 1.00 3.42 H new ATOM 0 HZ3 LYS A 98 14.479 8.868 -8.915 1.00 3.42 H new ATOM 1558 N SER A 99 8.444 5.513 -5.884 1.00 63.14 N ATOM 1559 CA SER A 99 7.974 4.502 -4.981 1.00 50.23 C ATOM 1560 C SER A 99 6.909 3.596 -5.677 1.00 2.24 C ATOM 1561 O SER A 99 6.875 2.378 -5.465 1.00 34.44 O ATOM 1562 CB SER A 99 7.416 5.200 -3.754 1.00 25.23 C ATOM 1563 OG SER A 99 8.396 6.067 -3.185 1.00 3.22 O ATOM 0 H SER A 99 8.062 6.439 -5.692 1.00 63.14 H new ATOM 0 HA SER A 99 8.788 3.843 -4.680 1.00 50.23 H new ATOM 0 HB2 SER A 99 6.529 5.772 -4.025 1.00 25.23 H new ATOM 0 HB3 SER A 99 7.105 4.460 -3.017 1.00 25.23 H new ATOM 0 HG SER A 99 8.449 6.891 -3.712 1.00 3.22 H new ATOM 1569 N LEU A 100 6.058 4.200 -6.523 1.00 1.22 N ATOM 1570 CA LEU A 100 5.069 3.454 -7.333 1.00 55.43 C ATOM 1571 C LEU A 100 5.767 2.467 -8.259 1.00 53.25 C ATOM 1572 O LEU A 100 5.316 1.325 -8.414 1.00 14.43 O ATOM 1573 CB LEU A 100 4.202 4.432 -8.160 1.00 73.43 C ATOM 1574 CG LEU A 100 3.021 5.155 -7.466 1.00 74.10 C ATOM 1575 CD1 LEU A 100 1.860 4.212 -7.271 1.00 13.23 C ATOM 1576 CD2 LEU A 100 3.406 5.727 -6.122 1.00 61.13 C ATOM 0 H LEU A 100 6.032 5.209 -6.667 1.00 1.22 H new ATOM 0 HA LEU A 100 4.423 2.897 -6.654 1.00 55.43 H new ATOM 0 HB2 LEU A 100 4.864 5.197 -8.566 1.00 73.43 H new ATOM 0 HB3 LEU A 100 3.797 3.878 -9.007 1.00 73.43 H new ATOM 0 HG LEU A 100 2.736 5.976 -8.123 1.00 74.10 H new ATOM 0 HD11 LEU A 100 1.041 4.739 -6.782 1.00 13.23 H new ATOM 0 HD12 LEU A 100 1.526 3.841 -8.240 1.00 13.23 H new ATOM 0 HD13 LEU A 100 2.173 3.373 -6.650 1.00 13.23 H new ATOM 0 HD21 LEU A 100 2.543 6.223 -5.677 1.00 61.13 H new ATOM 0 HD22 LEU A 100 3.740 4.923 -5.466 1.00 61.13 H new ATOM 0 HD23 LEU A 100 4.213 6.448 -6.251 1.00 61.13 H new ATOM 1588 N GLU A 101 6.865 2.907 -8.868 1.00 13.04 N ATOM 1589 CA GLU A 101 7.670 2.055 -9.747 1.00 3.34 C ATOM 1590 C GLU A 101 8.166 0.877 -8.983 1.00 10.02 C ATOM 1591 O GLU A 101 8.068 -0.271 -9.425 1.00 44.24 O ATOM 1592 CB GLU A 101 8.883 2.791 -10.243 1.00 43.21 C ATOM 1593 CG GLU A 101 8.604 4.011 -11.029 1.00 63.15 C ATOM 1594 CD GLU A 101 9.875 4.640 -11.494 1.00 43.14 C ATOM 1595 OE1 GLU A 101 10.435 4.180 -12.508 1.00 13.31 O ATOM 1596 OE2 GLU A 101 10.360 5.569 -10.833 1.00 2.43 O ATOM 0 H GLU A 101 7.222 3.857 -8.769 1.00 13.04 H new ATOM 0 HA GLU A 101 7.039 1.756 -10.584 1.00 3.34 H new ATOM 0 HB2 GLU A 101 9.498 3.064 -9.385 1.00 43.21 H new ATOM 0 HB3 GLU A 101 9.475 2.111 -10.856 1.00 43.21 H new ATOM 0 HG2 GLU A 101 7.980 3.762 -11.887 1.00 63.15 H new ATOM 0 HG3 GLU A 101 8.042 4.721 -10.422 1.00 63.15 H new ATOM 1603 N ALA A 102 8.704 1.181 -7.842 1.00 73.32 N ATOM 1604 CA ALA A 102 9.241 0.193 -6.932 1.00 75.52 C ATOM 1605 C ALA A 102 8.199 -0.889 -6.620 1.00 21.34 C ATOM 1606 O ALA A 102 8.511 -2.089 -6.601 1.00 51.51 O ATOM 1607 CB ALA A 102 9.720 0.873 -5.665 1.00 43.12 C ATOM 0 H ALA A 102 8.788 2.139 -7.502 1.00 73.32 H new ATOM 0 HA ALA A 102 10.090 -0.300 -7.406 1.00 75.52 H new ATOM 0 HB1 ALA A 102 10.124 0.126 -4.982 1.00 43.12 H new ATOM 0 HB2 ALA A 102 10.497 1.597 -5.912 1.00 43.12 H new ATOM 0 HB3 ALA A 102 8.884 1.386 -5.189 1.00 43.12 H new ATOM 1613 N MET A 103 6.959 -0.464 -6.411 1.00 41.41 N ATOM 1614 CA MET A 103 5.871 -1.394 -6.167 1.00 75.22 C ATOM 1615 C MET A 103 5.556 -2.231 -7.379 1.00 4.44 C ATOM 1616 O MET A 103 5.491 -3.467 -7.277 1.00 12.24 O ATOM 1617 CB MET A 103 4.603 -0.708 -5.702 1.00 24.41 C ATOM 1618 CG MET A 103 4.654 -0.138 -4.331 1.00 34.42 C ATOM 1619 SD MET A 103 3.034 0.398 -3.766 1.00 1.30 S ATOM 1620 CE MET A 103 2.581 1.587 -5.021 1.00 43.23 C ATOM 0 H MET A 103 6.685 0.519 -6.406 1.00 41.41 H new ATOM 0 HA MET A 103 6.228 -2.041 -5.366 1.00 75.22 H new ATOM 0 HB2 MET A 103 4.366 0.093 -6.402 1.00 24.41 H new ATOM 0 HB3 MET A 103 3.784 -1.425 -5.749 1.00 24.41 H new ATOM 0 HG2 MET A 103 5.050 -0.884 -3.642 1.00 34.42 H new ATOM 0 HG3 MET A 103 5.342 0.707 -4.315 1.00 34.42 H new ATOM 0 HE1 MET A 103 1.648 2.076 -4.740 1.00 43.23 H new ATOM 0 HE2 MET A 103 3.368 2.335 -5.115 1.00 43.23 H new ATOM 0 HE3 MET A 103 2.450 1.077 -5.975 1.00 43.23 H new ATOM 1630 N LYS A 104 5.360 -1.580 -8.529 1.00 50.40 N ATOM 1631 CA LYS A 104 5.000 -2.281 -9.724 1.00 13.32 C ATOM 1632 C LYS A 104 6.054 -3.292 -10.141 1.00 51.22 C ATOM 1633 O LYS A 104 5.726 -4.370 -10.567 1.00 44.40 O ATOM 1634 CB LYS A 104 4.538 -1.320 -10.854 1.00 44.05 C ATOM 1635 CG LYS A 104 5.505 -0.295 -11.414 1.00 71.43 C ATOM 1636 CD LYS A 104 6.586 -0.868 -12.317 1.00 62.04 C ATOM 1637 CE LYS A 104 7.392 0.255 -12.960 1.00 21.23 C ATOM 1638 NZ LYS A 104 8.471 -0.233 -13.839 1.00 62.11 N ATOM 0 H LYS A 104 5.449 -0.570 -8.639 1.00 50.40 H new ATOM 0 HA LYS A 104 4.120 -2.882 -9.497 1.00 13.32 H new ATOM 0 HB2 LYS A 104 4.199 -1.936 -11.687 1.00 44.05 H new ATOM 0 HB3 LYS A 104 3.668 -0.778 -10.484 1.00 44.05 H new ATOM 0 HG2 LYS A 104 4.940 0.450 -11.974 1.00 71.43 H new ATOM 0 HG3 LYS A 104 5.982 0.226 -10.584 1.00 71.43 H new ATOM 0 HD2 LYS A 104 7.247 -1.514 -11.739 1.00 62.04 H new ATOM 0 HD3 LYS A 104 6.132 -1.487 -13.091 1.00 62.04 H new ATOM 0 HE2 LYS A 104 6.721 0.890 -13.538 1.00 21.23 H new ATOM 0 HE3 LYS A 104 7.824 0.878 -12.177 1.00 21.23 H new ATOM 0 HZ1 LYS A 104 8.981 0.577 -14.245 1.00 62.11 H new ATOM 0 HZ2 LYS A 104 9.131 -0.817 -13.287 1.00 62.11 H new ATOM 0 HZ3 LYS A 104 8.062 -0.804 -14.606 1.00 62.11 H new ATOM 1652 N SER A 105 7.315 -2.955 -9.930 1.00 2.02 N ATOM 1653 CA SER A 105 8.417 -3.839 -10.269 1.00 41.54 C ATOM 1654 C SER A 105 8.366 -5.125 -9.407 1.00 1.32 C ATOM 1655 O SER A 105 8.568 -6.244 -9.909 1.00 32.23 O ATOM 1656 CB SER A 105 9.757 -3.101 -10.074 1.00 20.33 C ATOM 1657 OG SER A 105 10.861 -3.893 -10.479 1.00 14.44 O ATOM 0 H SER A 105 7.603 -2.066 -9.521 1.00 2.02 H new ATOM 0 HA SER A 105 8.329 -4.132 -11.315 1.00 41.54 H new ATOM 0 HB2 SER A 105 9.747 -2.173 -10.646 1.00 20.33 H new ATOM 0 HB3 SER A 105 9.872 -2.828 -9.025 1.00 20.33 H new ATOM 0 HG SER A 105 11.691 -3.391 -10.342 1.00 14.44 H new ATOM 1663 N HIS A 106 8.055 -4.963 -8.129 1.00 1.21 N ATOM 1664 CA HIS A 106 8.006 -6.080 -7.203 1.00 14.20 C ATOM 1665 C HIS A 106 6.817 -6.985 -7.462 1.00 12.12 C ATOM 1666 O HIS A 106 6.914 -8.215 -7.310 1.00 0.45 O ATOM 1667 CB HIS A 106 7.977 -5.579 -5.758 1.00 61.22 C ATOM 1668 CG HIS A 106 7.868 -6.680 -4.759 1.00 23.53 C ATOM 1669 ND1 HIS A 106 6.799 -6.824 -3.916 1.00 20.02 N ATOM 1670 CD2 HIS A 106 8.699 -7.688 -4.482 1.00 74.31 C ATOM 1671 CE1 HIS A 106 6.977 -7.858 -3.152 1.00 40.34 C ATOM 1672 NE2 HIS A 106 8.128 -8.411 -3.464 1.00 73.11 N ATOM 0 H HIS A 106 7.832 -4.061 -7.709 1.00 1.21 H new ATOM 0 HA HIS A 106 8.910 -6.668 -7.363 1.00 14.20 H new ATOM 0 HB2 HIS A 106 8.883 -5.006 -5.560 1.00 61.22 H new ATOM 0 HB3 HIS A 106 7.135 -4.898 -5.633 1.00 61.22 H new ATOM 0 HD1 HIS A 106 5.984 -6.210 -3.892 1.00 20.02 H new ATOM 0 HD2 HIS A 106 9.642 -7.895 -4.967 1.00 74.31 H new ATOM 0 HE1 HIS A 106 6.295 -8.205 -2.390 1.00 40.34 H new ATOM 1681 N CYS A 107 5.714 -6.403 -7.842 1.00 1.14 N ATOM 1682 CA CYS A 107 4.502 -7.156 -8.040 1.00 51.44 C ATOM 1683 C CYS A 107 4.651 -8.234 -9.117 1.00 14.21 C ATOM 1684 O CYS A 107 4.067 -9.304 -8.992 1.00 62.02 O ATOM 1685 CB CYS A 107 3.339 -6.238 -8.302 1.00 52.54 C ATOM 1686 SG CYS A 107 2.998 -5.108 -6.934 1.00 44.34 S ATOM 0 H CYS A 107 5.627 -5.403 -8.022 1.00 1.14 H new ATOM 0 HA CYS A 107 4.295 -7.692 -7.114 1.00 51.44 H new ATOM 0 HB2 CYS A 107 3.539 -5.657 -9.202 1.00 52.54 H new ATOM 0 HB3 CYS A 107 2.450 -6.837 -8.500 1.00 52.54 H new ATOM 0 HG CYS A 107 3.881 -4.154 -6.928 1.00 44.34 H new ATOM 1692 N LEU A 108 5.455 -7.959 -10.147 1.00 20.14 N ATOM 1693 CA LEU A 108 5.761 -8.939 -11.187 1.00 62.24 C ATOM 1694 C LEU A 108 6.367 -10.208 -10.625 1.00 10.42 C ATOM 1695 O LEU A 108 5.950 -11.303 -10.986 1.00 65.32 O ATOM 1696 CB LEU A 108 6.715 -8.367 -12.233 1.00 74.24 C ATOM 1697 CG LEU A 108 6.137 -7.475 -13.334 1.00 50.12 C ATOM 1698 CD1 LEU A 108 5.400 -6.280 -12.792 1.00 4.04 C ATOM 1699 CD2 LEU A 108 7.247 -7.039 -14.253 1.00 63.04 C ATOM 0 H LEU A 108 5.909 -7.056 -10.282 1.00 20.14 H new ATOM 0 HA LEU A 108 4.806 -9.182 -11.653 1.00 62.24 H new ATOM 0 HB2 LEU A 108 7.479 -7.793 -11.708 1.00 74.24 H new ATOM 0 HB3 LEU A 108 7.220 -9.204 -12.715 1.00 74.24 H new ATOM 0 HG LEU A 108 5.403 -8.063 -13.885 1.00 50.12 H new ATOM 0 HD11 LEU A 108 5.013 -5.685 -13.619 1.00 4.04 H new ATOM 0 HD12 LEU A 108 4.572 -6.616 -12.168 1.00 4.04 H new ATOM 0 HD13 LEU A 108 6.081 -5.672 -12.196 1.00 4.04 H new ATOM 0 HD21 LEU A 108 6.840 -6.403 -15.039 1.00 63.04 H new ATOM 0 HD22 LEU A 108 7.992 -6.482 -13.685 1.00 63.04 H new ATOM 0 HD23 LEU A 108 7.714 -7.916 -14.701 1.00 63.04 H new ATOM 1711 N LYS A 109 7.323 -10.067 -9.700 1.00 14.31 N ATOM 1712 CA LYS A 109 8.053 -11.229 -9.175 1.00 24.34 C ATOM 1713 C LYS A 109 7.160 -12.156 -8.387 1.00 4.21 C ATOM 1714 O LYS A 109 7.479 -13.322 -8.159 1.00 14.21 O ATOM 1715 CB LYS A 109 9.179 -10.763 -8.291 1.00 53.32 C ATOM 1716 CG LYS A 109 10.148 -9.871 -9.003 1.00 14.32 C ATOM 1717 CD LYS A 109 11.328 -9.487 -8.112 1.00 42.53 C ATOM 1718 CE LYS A 109 12.070 -10.718 -7.596 1.00 14.51 C ATOM 1719 NZ LYS A 109 13.241 -10.374 -6.769 1.00 74.41 N ATOM 0 H LYS A 109 7.608 -9.172 -9.303 1.00 14.31 H new ATOM 0 HA LYS A 109 8.441 -11.782 -10.031 1.00 24.34 H new ATOM 0 HB2 LYS A 109 8.765 -10.231 -7.434 1.00 53.32 H new ATOM 0 HB3 LYS A 109 9.711 -11.631 -7.901 1.00 53.32 H new ATOM 0 HG2 LYS A 109 10.516 -10.375 -9.897 1.00 14.32 H new ATOM 0 HG3 LYS A 109 9.635 -8.969 -9.335 1.00 14.32 H new ATOM 0 HD2 LYS A 109 12.017 -8.855 -8.673 1.00 42.53 H new ATOM 0 HD3 LYS A 109 10.970 -8.897 -7.268 1.00 42.53 H new ATOM 0 HE2 LYS A 109 11.385 -11.331 -7.010 1.00 14.51 H new ATOM 0 HE3 LYS A 109 12.394 -11.323 -8.443 1.00 14.51 H new ATOM 0 HZ1 LYS A 109 13.706 -11.246 -6.446 1.00 74.41 H new ATOM 0 HZ2 LYS A 109 13.911 -9.812 -7.332 1.00 74.41 H new ATOM 0 HZ3 LYS A 109 12.933 -9.820 -5.944 1.00 74.41 H new ATOM 1733 N ASN A 110 6.057 -11.635 -7.990 1.00 61.22 N ATOM 1734 CA ASN A 110 5.133 -12.354 -7.122 1.00 24.24 C ATOM 1735 C ASN A 110 3.806 -12.645 -7.802 1.00 22.21 C ATOM 1736 O ASN A 110 2.994 -13.436 -7.292 1.00 1.41 O ATOM 1737 CB ASN A 110 4.912 -11.547 -5.847 1.00 15.05 C ATOM 1738 CG ASN A 110 6.199 -11.337 -5.081 1.00 33.20 C ATOM 1739 OD1 ASN A 110 6.544 -12.113 -4.206 1.00 31.33 O ATOM 1740 ND2 ASN A 110 6.928 -10.299 -5.426 1.00 1.21 N ATOM 0 H ASN A 110 5.748 -10.697 -8.246 1.00 61.22 H new ATOM 0 HA ASN A 110 5.579 -13.319 -6.882 1.00 24.24 H new ATOM 0 HB2 ASN A 110 4.479 -10.579 -6.101 1.00 15.05 H new ATOM 0 HB3 ASN A 110 4.192 -12.062 -5.212 1.00 15.05 H new ATOM 0 HD21 ASN A 110 7.816 -10.121 -4.957 1.00 1.21 H new ATOM 0 HD22 ASN A 110 6.606 -9.672 -6.163 1.00 1.21 H new ATOM 1747 N GLY A 111 3.587 -12.032 -8.945 1.00 40.04 N ATOM 1748 CA GLY A 111 2.332 -12.184 -9.644 1.00 13.13 C ATOM 1749 C GLY A 111 1.200 -11.502 -8.898 1.00 73.32 C ATOM 1750 O GLY A 111 0.154 -12.100 -8.655 1.00 11.23 O ATOM 0 H GLY A 111 4.262 -11.424 -9.409 1.00 40.04 H new ATOM 0 HA2 GLY A 111 2.417 -11.762 -10.645 1.00 13.13 H new ATOM 0 HA3 GLY A 111 2.106 -13.244 -9.763 1.00 13.13 H new ATOM 1754 N VAL A 112 1.428 -10.273 -8.497 1.00 45.13 N ATOM 1755 CA VAL A 112 0.425 -9.502 -7.802 1.00 10.11 C ATOM 1756 C VAL A 112 -0.151 -8.494 -8.766 1.00 24.01 C ATOM 1757 O VAL A 112 0.589 -7.739 -9.391 1.00 23.31 O ATOM 1758 CB VAL A 112 1.008 -8.760 -6.570 1.00 10.44 C ATOM 1759 CG1 VAL A 112 -0.078 -7.991 -5.853 1.00 43.54 C ATOM 1760 CG2 VAL A 112 1.663 -9.732 -5.620 1.00 53.51 C ATOM 0 H VAL A 112 2.310 -9.782 -8.643 1.00 45.13 H new ATOM 0 HA VAL A 112 -0.343 -10.184 -7.438 1.00 10.11 H new ATOM 0 HB VAL A 112 1.763 -8.058 -6.925 1.00 10.44 H new ATOM 0 HG11 VAL A 112 0.348 -7.477 -4.992 1.00 43.54 H new ATOM 0 HG12 VAL A 112 -0.515 -7.259 -6.533 1.00 43.54 H new ATOM 0 HG13 VAL A 112 -0.852 -8.682 -5.517 1.00 43.54 H new ATOM 0 HG21 VAL A 112 2.065 -9.190 -4.764 1.00 53.51 H new ATOM 0 HG22 VAL A 112 0.926 -10.458 -5.276 1.00 53.51 H new ATOM 0 HG23 VAL A 112 2.473 -10.252 -6.132 1.00 53.51 H new ATOM 1770 N THR A 113 -1.440 -8.489 -8.900 1.00 31.24 N ATOM 1771 CA THR A 113 -2.090 -7.598 -9.830 1.00 12.41 C ATOM 1772 C THR A 113 -3.249 -6.859 -9.138 1.00 1.22 C ATOM 1773 O THR A 113 -4.039 -6.186 -9.775 1.00 43.33 O ATOM 1774 CB THR A 113 -2.572 -8.396 -11.099 1.00 34.41 C ATOM 1775 OG1 THR A 113 -3.147 -7.535 -12.086 1.00 14.10 O ATOM 1776 CG2 THR A 113 -3.568 -9.485 -10.727 1.00 40.14 C ATOM 0 H THR A 113 -2.073 -9.094 -8.377 1.00 31.24 H new ATOM 0 HA THR A 113 -1.378 -6.845 -10.167 1.00 12.41 H new ATOM 0 HB THR A 113 -1.684 -8.862 -11.526 1.00 34.41 H new ATOM 0 HG1 THR A 113 -3.032 -7.933 -12.974 1.00 14.10 H new ATOM 0 HG21 THR A 113 -3.880 -10.016 -11.627 1.00 40.14 H new ATOM 0 HG22 THR A 113 -3.100 -10.186 -10.036 1.00 40.14 H new ATOM 0 HG23 THR A 113 -4.439 -9.034 -10.252 1.00 40.14 H new ATOM 1784 N ASP A 114 -3.312 -6.948 -7.819 1.00 41.32 N ATOM 1785 CA ASP A 114 -4.357 -6.251 -7.077 1.00 54.45 C ATOM 1786 C ASP A 114 -3.735 -5.551 -5.883 1.00 55.32 C ATOM 1787 O ASP A 114 -3.099 -6.201 -5.040 1.00 25.03 O ATOM 1788 CB ASP A 114 -5.440 -7.233 -6.573 1.00 72.31 C ATOM 1789 CG ASP A 114 -6.121 -8.037 -7.668 1.00 14.13 C ATOM 1790 OD1 ASP A 114 -7.093 -7.538 -8.276 1.00 73.35 O ATOM 1791 OD2 ASP A 114 -5.694 -9.203 -7.931 1.00 41.22 O ATOM 0 H ASP A 114 -2.664 -7.487 -7.245 1.00 41.32 H new ATOM 0 HA ASP A 114 -4.828 -5.530 -7.745 1.00 54.45 H new ATOM 0 HB2 ASP A 114 -4.984 -7.923 -5.863 1.00 72.31 H new ATOM 0 HB3 ASP A 114 -6.198 -6.670 -6.029 1.00 72.31 H new ATOM 1796 N LEU A 115 -3.898 -4.242 -5.816 1.00 42.24 N ATOM 1797 CA LEU A 115 -3.404 -3.413 -4.706 1.00 70.33 C ATOM 1798 C LEU A 115 -4.426 -2.390 -4.272 1.00 63.11 C ATOM 1799 O LEU A 115 -5.187 -1.870 -5.079 1.00 62.32 O ATOM 1800 CB LEU A 115 -2.054 -2.687 -4.982 1.00 72.24 C ATOM 1801 CG LEU A 115 -0.746 -3.480 -4.829 1.00 32.22 C ATOM 1802 CD1 LEU A 115 -0.545 -4.499 -5.911 1.00 72.24 C ATOM 1803 CD2 LEU A 115 0.443 -2.546 -4.720 1.00 41.12 C ATOM 0 H LEU A 115 -4.383 -3.707 -6.536 1.00 42.24 H new ATOM 0 HA LEU A 115 -3.223 -4.132 -3.907 1.00 70.33 H new ATOM 0 HB2 LEU A 115 -2.089 -2.300 -6.000 1.00 72.24 H new ATOM 0 HB3 LEU A 115 -1.999 -1.826 -4.315 1.00 72.24 H new ATOM 0 HG LEU A 115 -0.830 -4.042 -3.899 1.00 32.22 H new ATOM 0 HD11 LEU A 115 0.396 -5.024 -5.746 1.00 72.24 H new ATOM 0 HD12 LEU A 115 -1.368 -5.214 -5.895 1.00 72.24 H new ATOM 0 HD13 LEU A 115 -0.517 -4.000 -6.880 1.00 72.24 H new ATOM 0 HD21 LEU A 115 1.356 -3.131 -4.613 1.00 41.12 H new ATOM 0 HD22 LEU A 115 0.508 -1.933 -5.619 1.00 41.12 H new ATOM 0 HD23 LEU A 115 0.321 -1.901 -3.850 1.00 41.12 H new ATOM 1815 N SER A 116 -4.435 -2.120 -3.002 1.00 74.14 N ATOM 1816 CA SER A 116 -5.295 -1.156 -2.401 1.00 42.24 C ATOM 1817 C SER A 116 -4.464 -0.153 -1.589 1.00 52.31 C ATOM 1818 O SER A 116 -3.455 -0.530 -0.981 1.00 11.15 O ATOM 1819 CB SER A 116 -6.323 -1.875 -1.525 1.00 2.24 C ATOM 1820 OG SER A 116 -5.698 -2.762 -0.603 1.00 74.12 O ATOM 0 H SER A 116 -3.819 -2.584 -2.334 1.00 74.14 H new ATOM 0 HA SER A 116 -5.830 -0.598 -3.170 1.00 42.24 H new ATOM 0 HB2 SER A 116 -6.914 -1.140 -0.979 1.00 2.24 H new ATOM 0 HB3 SER A 116 -7.013 -2.434 -2.157 1.00 2.24 H new ATOM 0 HG SER A 116 -4.975 -3.247 -1.054 1.00 74.12 H new ATOM 1826 N MET A 117 -4.855 1.109 -1.604 1.00 53.12 N ATOM 1827 CA MET A 117 -4.126 2.144 -0.875 1.00 33.33 C ATOM 1828 C MET A 117 -5.039 3.361 -0.672 1.00 70.21 C ATOM 1829 O MET A 117 -6.087 3.453 -1.317 1.00 65.43 O ATOM 1830 CB MET A 117 -2.836 2.523 -1.657 1.00 51.24 C ATOM 1831 CG MET A 117 -3.087 3.217 -3.001 1.00 40.41 C ATOM 1832 SD MET A 117 -1.625 3.308 -4.047 1.00 13.32 S ATOM 1833 CE MET A 117 -1.363 1.575 -4.424 1.00 63.44 C ATOM 0 H MET A 117 -5.673 1.447 -2.112 1.00 53.12 H new ATOM 0 HA MET A 117 -3.828 1.774 0.106 1.00 33.33 H new ATOM 0 HB2 MET A 117 -2.227 3.177 -1.033 1.00 51.24 H new ATOM 0 HB3 MET A 117 -2.254 1.618 -1.833 1.00 51.24 H new ATOM 0 HG2 MET A 117 -3.873 2.683 -3.535 1.00 40.41 H new ATOM 0 HG3 MET A 117 -3.455 4.226 -2.816 1.00 40.41 H new ATOM 0 HE1 MET A 117 -0.395 1.260 -4.034 1.00 63.44 H new ATOM 0 HE2 MET A 117 -2.151 0.979 -3.964 1.00 63.44 H new ATOM 0 HE3 MET A 117 -1.383 1.431 -5.504 1.00 63.44 H new ATOM 1843 N PRO A 118 -4.688 4.280 0.249 1.00 0.11 N ATOM 1844 CA PRO A 118 -5.457 5.495 0.486 1.00 30.11 C ATOM 1845 C PRO A 118 -4.894 6.657 -0.347 1.00 44.43 C ATOM 1846 O PRO A 118 -4.272 6.429 -1.392 1.00 24.40 O ATOM 1847 CB PRO A 118 -5.211 5.731 1.978 1.00 51.43 C ATOM 1848 CG PRO A 118 -3.829 5.210 2.235 1.00 10.11 C ATOM 1849 CD PRO A 118 -3.513 4.213 1.142 1.00 1.42 C ATOM 0 HA PRO A 118 -6.510 5.418 0.216 1.00 30.11 H new ATOM 0 HB2 PRO A 118 -5.285 6.790 2.227 1.00 51.43 H new ATOM 0 HB3 PRO A 118 -5.949 5.208 2.586 1.00 51.43 H new ATOM 0 HG2 PRO A 118 -3.105 6.025 2.233 1.00 10.11 H new ATOM 0 HG3 PRO A 118 -3.773 4.736 3.215 1.00 10.11 H new ATOM 0 HD2 PRO A 118 -2.595 4.475 0.615 1.00 1.42 H new ATOM 0 HD3 PRO A 118 -3.374 3.210 1.545 1.00 1.42 H new ATOM 1857 N ARG A 119 -5.121 7.894 0.086 1.00 41.54 N ATOM 1858 CA ARG A 119 -4.562 9.025 -0.624 1.00 13.41 C ATOM 1859 C ARG A 119 -3.069 9.100 -0.344 1.00 54.22 C ATOM 1860 O ARG A 119 -2.648 9.560 0.718 1.00 63.14 O ATOM 1861 CB ARG A 119 -5.195 10.359 -0.212 1.00 44.24 C ATOM 1862 CG ARG A 119 -6.696 10.483 -0.372 1.00 64.05 C ATOM 1863 CD ARG A 119 -7.131 11.896 -0.001 1.00 54.35 C ATOM 1864 NE ARG A 119 -8.586 12.040 0.118 1.00 14.40 N ATOM 1865 CZ ARG A 119 -9.348 12.863 -0.607 1.00 54.11 C ATOM 1866 NH1 ARG A 119 -8.824 13.578 -1.602 1.00 34.20 N ATOM 1867 NH2 ARG A 119 -10.633 12.978 -0.313 1.00 14.22 N ATOM 0 H ARG A 119 -5.677 8.130 0.908 1.00 41.54 H new ATOM 0 HA ARG A 119 -4.767 8.870 -1.683 1.00 13.41 H new ATOM 0 HB2 ARG A 119 -4.949 10.543 0.834 1.00 44.24 H new ATOM 0 HB3 ARG A 119 -4.725 11.152 -0.794 1.00 44.24 H new ATOM 0 HG2 ARG A 119 -6.983 10.261 -1.400 1.00 64.05 H new ATOM 0 HG3 ARG A 119 -7.202 9.756 0.264 1.00 64.05 H new ATOM 0 HD2 ARG A 119 -6.666 12.176 0.944 1.00 54.35 H new ATOM 0 HD3 ARG A 119 -6.764 12.592 -0.755 1.00 54.35 H new ATOM 0 HE ARG A 119 -9.056 11.462 0.814 1.00 14.40 H new ATOM 0 HH11 ARG A 119 -7.830 13.500 -1.817 1.00 34.20 H new ATOM 0 HH12 ARG A 119 -9.417 14.203 -2.148 1.00 34.20 H new ATOM 0 HH21 ARG A 119 -11.030 12.442 0.459 1.00 14.22 H new ATOM 0 HH22 ARG A 119 -11.227 13.603 -0.858 1.00 14.22 H new ATOM 1881 N ILE A 120 -2.289 8.608 -1.249 1.00 42.41 N ATOM 1882 CA ILE A 120 -0.862 8.668 -1.116 1.00 13.21 C ATOM 1883 C ILE A 120 -0.338 10.012 -1.615 1.00 23.25 C ATOM 1884 O ILE A 120 -0.677 10.463 -2.719 1.00 64.00 O ATOM 1885 CB ILE A 120 -0.163 7.474 -1.827 1.00 72.13 C ATOM 1886 CG1 ILE A 120 -0.600 7.384 -3.306 1.00 71.44 C ATOM 1887 CG2 ILE A 120 -0.443 6.165 -1.075 1.00 31.34 C ATOM 1888 CD1 ILE A 120 -0.007 6.220 -4.066 1.00 65.53 C ATOM 0 H ILE A 120 -2.617 8.153 -2.101 1.00 42.41 H new ATOM 0 HA ILE A 120 -0.618 8.582 -0.057 1.00 13.21 H new ATOM 0 HB ILE A 120 0.914 7.643 -1.815 1.00 72.13 H new ATOM 0 HG12 ILE A 120 -1.687 7.312 -3.347 1.00 71.44 H new ATOM 0 HG13 ILE A 120 -0.323 8.310 -3.810 1.00 71.44 H new ATOM 0 HG21 ILE A 120 0.053 5.339 -1.585 1.00 31.34 H new ATOM 0 HG22 ILE A 120 -0.064 6.242 -0.056 1.00 31.34 H new ATOM 0 HG23 ILE A 120 -1.517 5.983 -1.049 1.00 31.34 H new ATOM 0 HD11 ILE A 120 -0.368 6.235 -5.094 1.00 65.53 H new ATOM 0 HD12 ILE A 120 1.080 6.299 -4.062 1.00 65.53 H new ATOM 0 HD13 ILE A 120 -0.305 5.285 -3.591 1.00 65.53 H new ATOM 1900 N GLY A 121 0.430 10.679 -0.779 1.00 23.42 N ATOM 1901 CA GLY A 121 0.979 11.973 -1.137 1.00 72.10 C ATOM 1902 C GLY A 121 -0.002 13.104 -0.873 1.00 70.52 C ATOM 1903 O GLY A 121 0.219 13.950 0.010 1.00 25.43 O ATOM 0 H GLY A 121 0.689 10.349 0.151 1.00 23.42 H new ATOM 0 HA2 GLY A 121 1.894 12.147 -0.570 1.00 72.10 H new ATOM 0 HA3 GLY A 121 1.253 11.971 -2.192 1.00 72.10 H new ATOM 1907 N CYS A 122 -1.088 13.110 -1.618 1.00 13.51 N ATOM 1908 CA CYS A 122 -2.111 14.120 -1.479 1.00 51.24 C ATOM 1909 C CYS A 122 -2.848 13.896 -0.160 1.00 32.32 C ATOM 1910 O CYS A 122 -3.310 12.794 0.121 1.00 44.42 O ATOM 1911 CB CYS A 122 -3.078 14.062 -2.676 1.00 50.50 C ATOM 1912 SG CYS A 122 -4.369 15.335 -2.682 1.00 53.05 S ATOM 0 H CYS A 122 -1.284 12.413 -2.337 1.00 13.51 H new ATOM 0 HA CYS A 122 -1.660 15.112 -1.468 1.00 51.24 H new ATOM 0 HB2 CYS A 122 -2.499 14.149 -3.596 1.00 50.50 H new ATOM 0 HB3 CYS A 122 -3.555 13.082 -2.691 1.00 50.50 H new ATOM 0 HG CYS A 122 -3.818 16.511 -2.737 1.00 53.05 H new ATOM 1918 N GLY A 123 -2.923 14.918 0.643 1.00 33.35 N ATOM 1919 CA GLY A 123 -3.539 14.805 1.943 1.00 61.01 C ATOM 1920 C GLY A 123 -2.571 15.245 2.999 1.00 13.13 C ATOM 1921 O GLY A 123 -2.950 15.861 3.999 1.00 23.02 O ATOM 0 H GLY A 123 -2.564 15.847 0.423 1.00 33.35 H new ATOM 0 HA2 GLY A 123 -4.440 15.417 1.984 1.00 61.01 H new ATOM 0 HA3 GLY A 123 -3.845 13.774 2.123 1.00 61.01 H new ATOM 1925 N LEU A 124 -1.308 14.930 2.773 1.00 3.42 N ATOM 1926 CA LEU A 124 -0.232 15.377 3.633 1.00 72.45 C ATOM 1927 C LEU A 124 0.091 16.805 3.193 1.00 32.04 C ATOM 1928 O LEU A 124 0.314 17.703 4.007 1.00 34.03 O ATOM 1929 CB LEU A 124 0.976 14.401 3.490 1.00 11.20 C ATOM 1930 CG LEU A 124 2.189 14.564 4.444 1.00 40.11 C ATOM 1931 CD1 LEU A 124 3.111 13.365 4.304 1.00 74.10 C ATOM 1932 CD2 LEU A 124 2.978 15.831 4.148 1.00 11.13 C ATOM 0 H LEU A 124 -1.002 14.357 1.987 1.00 3.42 H new ATOM 0 HA LEU A 124 -0.496 15.377 4.691 1.00 72.45 H new ATOM 0 HB2 LEU A 124 0.596 13.387 3.611 1.00 11.20 H new ATOM 0 HB3 LEU A 124 1.347 14.483 2.468 1.00 11.20 H new ATOM 0 HG LEU A 124 1.801 14.634 5.460 1.00 40.11 H new ATOM 0 HD11 LEU A 124 3.963 13.481 4.974 1.00 74.10 H new ATOM 0 HD12 LEU A 124 2.567 12.456 4.561 1.00 74.10 H new ATOM 0 HD13 LEU A 124 3.466 13.297 3.276 1.00 74.10 H new ATOM 0 HD21 LEU A 124 3.818 15.906 4.838 1.00 11.13 H new ATOM 0 HD22 LEU A 124 3.351 15.796 3.125 1.00 11.13 H new ATOM 0 HD23 LEU A 124 2.330 16.699 4.269 1.00 11.13 H new ATOM 1944 N ASP A 125 0.080 16.994 1.896 1.00 10.25 N ATOM 1945 CA ASP A 125 0.172 18.302 1.287 1.00 24.51 C ATOM 1946 C ASP A 125 -1.026 18.412 0.350 1.00 43.44 C ATOM 1947 O ASP A 125 -1.785 17.434 0.230 1.00 63.31 O ATOM 1948 CB ASP A 125 1.514 18.501 0.543 1.00 42.31 C ATOM 1949 CG ASP A 125 1.625 19.875 -0.113 1.00 23.35 C ATOM 1950 OD1 ASP A 125 1.913 20.860 0.585 1.00 1.44 O ATOM 1951 OD2 ASP A 125 1.385 19.980 -1.330 1.00 63.04 O ATOM 0 H ASP A 125 0.006 16.232 1.222 1.00 10.25 H new ATOM 0 HA ASP A 125 0.152 19.089 2.041 1.00 24.51 H new ATOM 0 HB2 ASP A 125 2.337 18.371 1.246 1.00 42.31 H new ATOM 0 HB3 ASP A 125 1.620 17.729 -0.219 1.00 42.31 H new ATOM 1956 N ARG A 126 -1.230 19.543 -0.293 1.00 33.04 N ATOM 1957 CA ARG A 126 -2.388 19.706 -1.130 1.00 54.14 C ATOM 1958 C ARG A 126 -2.286 18.896 -2.395 1.00 73.50 C ATOM 1959 O ARG A 126 -3.256 18.220 -2.766 1.00 64.22 O ATOM 1960 CB ARG A 126 -2.524 21.147 -1.568 1.00 20.34 C ATOM 1961 CG ARG A 126 -2.713 22.158 -0.477 1.00 72.13 C ATOM 1962 CD ARG A 126 -2.758 23.519 -1.104 1.00 20.10 C ATOM 1963 NE ARG A 126 -2.892 24.599 -0.134 1.00 33.14 N ATOM 1964 CZ ARG A 126 -2.313 25.810 -0.253 1.00 1.14 C ATOM 1965 NH1 ARG A 126 -1.555 26.092 -1.310 1.00 51.01 N ATOM 1966 NH2 ARG A 126 -2.514 26.742 0.678 1.00 1.20 N ATOM 0 H ARG A 126 -0.612 20.353 -0.250 1.00 33.04 H new ATOM 0 HA ARG A 126 -3.240 19.378 -0.534 1.00 54.14 H new ATOM 0 HB2 ARG A 126 -1.633 21.418 -2.135 1.00 20.34 H new ATOM 0 HB3 ARG A 126 -3.370 21.219 -2.251 1.00 20.34 H new ATOM 0 HG2 ARG A 126 -3.635 21.960 0.069 1.00 72.13 H new ATOM 0 HG3 ARG A 126 -1.897 22.098 0.243 1.00 72.13 H new ATOM 0 HD2 ARG A 126 -1.849 23.673 -1.685 1.00 20.10 H new ATOM 0 HD3 ARG A 126 -3.594 23.562 -1.802 1.00 20.10 H new ATOM 0 HE ARG A 126 -3.464 24.426 0.693 1.00 33.14 H new ATOM 0 HH11 ARG A 126 -1.410 25.390 -2.035 1.00 51.01 H new ATOM 0 HH12 ARG A 126 -1.119 27.010 -1.395 1.00 51.01 H new ATOM 0 HH21 ARG A 126 -3.107 26.539 1.483 1.00 1.20 H new ATOM 0 HH22 ARG A 126 -2.075 27.658 0.586 1.00 1.20 H new ATOM 1980 N LEU A 127 -1.073 18.896 -3.016 1.00 40.43 N ATOM 1981 CA LEU A 127 -0.874 18.335 -4.369 1.00 62.51 C ATOM 1982 C LEU A 127 -2.110 18.553 -5.259 1.00 53.21 C ATOM 1983 O LEU A 127 -2.517 19.702 -5.516 1.00 65.54 O ATOM 1984 CB LEU A 127 -0.390 16.847 -4.406 1.00 13.51 C ATOM 1985 CG LEU A 127 1.083 16.544 -4.052 1.00 11.11 C ATOM 1986 CD1 LEU A 127 1.436 16.938 -2.649 1.00 11.25 C ATOM 1987 CD2 LEU A 127 1.384 15.074 -4.277 1.00 64.33 C ATOM 0 H LEU A 127 -0.226 19.279 -2.597 1.00 40.43 H new ATOM 0 HA LEU A 127 -0.042 18.904 -4.784 1.00 62.51 H new ATOM 0 HB2 LEU A 127 -1.020 16.276 -3.723 1.00 13.51 H new ATOM 0 HB3 LEU A 127 -0.576 16.462 -5.409 1.00 13.51 H new ATOM 0 HG LEU A 127 1.700 17.150 -4.715 1.00 11.11 H new ATOM 0 HD11 LEU A 127 2.483 16.702 -2.457 1.00 11.25 H new ATOM 0 HD12 LEU A 127 1.276 18.009 -2.521 1.00 11.25 H new ATOM 0 HD13 LEU A 127 0.806 16.391 -1.948 1.00 11.25 H new ATOM 0 HD21 LEU A 127 2.425 14.873 -4.024 1.00 64.33 H new ATOM 0 HD22 LEU A 127 0.734 14.469 -3.646 1.00 64.33 H new ATOM 0 HD23 LEU A 127 1.210 14.823 -5.323 1.00 64.33 H new ATOM 1999 N GLN A 128 -2.706 17.448 -5.657 1.00 23.25 N ATOM 2000 CA GLN A 128 -3.904 17.336 -6.379 1.00 3.00 C ATOM 2001 C GLN A 128 -3.976 15.891 -6.769 1.00 40.24 C ATOM 2002 O GLN A 128 -3.088 15.408 -7.490 1.00 34.55 O ATOM 2003 CB GLN A 128 -3.911 18.184 -7.632 1.00 32.43 C ATOM 2004 CG GLN A 128 -5.194 18.053 -8.354 1.00 25.22 C ATOM 2005 CD GLN A 128 -5.257 18.866 -9.620 1.00 43.34 C ATOM 2006 OE1 GLN A 128 -4.904 18.390 -10.692 1.00 13.10 O ATOM 2007 NE2 GLN A 128 -5.695 20.083 -9.507 1.00 64.22 N ATOM 0 H GLN A 128 -2.305 16.533 -5.451 1.00 23.25 H new ATOM 0 HA GLN A 128 -4.746 17.676 -5.776 1.00 3.00 H new ATOM 0 HB2 GLN A 128 -3.743 19.228 -7.369 1.00 32.43 H new ATOM 0 HB3 GLN A 128 -3.091 17.883 -8.284 1.00 32.43 H new ATOM 0 HG2 GLN A 128 -5.359 17.003 -8.597 1.00 25.22 H new ATOM 0 HG3 GLN A 128 -6.006 18.359 -7.694 1.00 25.22 H new ATOM 0 HE21 GLN A 128 -5.979 20.440 -8.595 1.00 64.22 H new ATOM 0 HE22 GLN A 128 -5.755 20.682 -10.330 1.00 64.22 H new ATOM 2016 N TRP A 129 -4.977 15.182 -6.298 1.00 13.44 N ATOM 2017 CA TRP A 129 -5.061 13.759 -6.573 1.00 4.22 C ATOM 2018 C TRP A 129 -5.132 13.471 -8.073 1.00 2.43 C ATOM 2019 O TRP A 129 -4.616 12.476 -8.529 1.00 14.42 O ATOM 2020 CB TRP A 129 -6.211 13.073 -5.816 1.00 33.15 C ATOM 2021 CG TRP A 129 -6.270 11.608 -6.113 1.00 51.42 C ATOM 2022 CD1 TRP A 129 -7.066 10.996 -7.028 1.00 12.31 C ATOM 2023 CD2 TRP A 129 -5.468 10.576 -5.524 1.00 13.34 C ATOM 2024 NE1 TRP A 129 -6.805 9.662 -7.057 1.00 40.30 N ATOM 2025 CE2 TRP A 129 -5.838 9.370 -6.140 1.00 54.10 C ATOM 2026 CE3 TRP A 129 -4.479 10.552 -4.538 1.00 23.11 C ATOM 2027 CZ2 TRP A 129 -5.256 8.155 -5.810 1.00 52.20 C ATOM 2028 CZ3 TRP A 129 -3.901 9.343 -4.209 1.00 63.21 C ATOM 2029 CH2 TRP A 129 -4.291 8.158 -4.846 1.00 50.12 C ATOM 0 H TRP A 129 -5.736 15.557 -5.730 1.00 13.44 H new ATOM 0 HA TRP A 129 -4.135 13.324 -6.196 1.00 4.22 H new ATOM 0 HB2 TRP A 129 -6.082 13.222 -4.744 1.00 33.15 H new ATOM 0 HB3 TRP A 129 -7.157 13.539 -6.091 1.00 33.15 H new ATOM 0 HD1 TRP A 129 -7.799 11.496 -7.643 1.00 12.31 H new ATOM 0 HE1 TRP A 129 -7.261 8.985 -7.669 1.00 40.30 H new ATOM 0 HE3 TRP A 129 -4.173 11.462 -4.043 1.00 23.11 H new ATOM 0 HZ2 TRP A 129 -5.556 7.240 -6.299 1.00 52.20 H new ATOM 0 HZ3 TRP A 129 -3.135 9.310 -3.448 1.00 63.21 H new ATOM 0 HH2 TRP A 129 -3.818 7.228 -4.568 1.00 50.12 H new ATOM 2040 N GLU A 130 -5.747 14.357 -8.816 1.00 43.15 N ATOM 2041 CA GLU A 130 -5.872 14.225 -10.260 1.00 52.54 C ATOM 2042 C GLU A 130 -4.496 14.071 -10.951 1.00 24.34 C ATOM 2043 O GLU A 130 -4.370 13.357 -11.949 1.00 52.31 O ATOM 2044 CB GLU A 130 -6.677 15.384 -10.876 1.00 4.14 C ATOM 2045 CG GLU A 130 -8.124 15.529 -10.359 1.00 61.01 C ATOM 2046 CD GLU A 130 -8.243 16.069 -8.936 1.00 10.15 C ATOM 2047 OE1 GLU A 130 -8.095 15.304 -7.968 1.00 21.41 O ATOM 2048 OE2 GLU A 130 -8.516 17.269 -8.779 1.00 50.31 O ATOM 0 H GLU A 130 -6.181 15.200 -8.440 1.00 43.15 H new ATOM 0 HA GLU A 130 -6.431 13.306 -10.440 1.00 52.54 H new ATOM 0 HB2 GLU A 130 -6.145 16.316 -10.685 1.00 4.14 H new ATOM 0 HB3 GLU A 130 -6.707 15.250 -11.957 1.00 4.14 H new ATOM 0 HG2 GLU A 130 -8.671 16.191 -11.031 1.00 61.01 H new ATOM 0 HG3 GLU A 130 -8.611 14.555 -10.405 1.00 61.01 H new ATOM 2055 N ASN A 131 -3.468 14.723 -10.411 1.00 42.20 N ATOM 2056 CA ASN A 131 -2.118 14.530 -10.940 1.00 63.21 C ATOM 2057 C ASN A 131 -1.540 13.236 -10.443 1.00 62.11 C ATOM 2058 O ASN A 131 -0.881 12.520 -11.190 1.00 61.32 O ATOM 2059 CB ASN A 131 -1.153 15.690 -10.639 1.00 53.42 C ATOM 2060 CG ASN A 131 -1.355 16.900 -11.524 1.00 44.43 C ATOM 2061 OD1 ASN A 131 -0.779 16.978 -12.606 1.00 32.23 O ATOM 2062 ND2 ASN A 131 -2.109 17.860 -11.075 1.00 64.15 N ATOM 0 H ASN A 131 -3.538 15.373 -9.628 1.00 42.20 H new ATOM 0 HA ASN A 131 -2.227 14.500 -12.024 1.00 63.21 H new ATOM 0 HB2 ASN A 131 -1.274 15.989 -9.598 1.00 53.42 H new ATOM 0 HB3 ASN A 131 -0.128 15.336 -10.752 1.00 53.42 H new ATOM 0 HD21 ASN A 131 -2.236 18.709 -11.626 1.00 64.15 H new ATOM 0 HD22 ASN A 131 -2.574 17.764 -10.172 1.00 64.15 H new ATOM 2069 N VAL A 132 -1.810 12.929 -9.180 1.00 1.21 N ATOM 2070 CA VAL A 132 -1.333 11.696 -8.565 1.00 2.14 C ATOM 2071 C VAL A 132 -1.888 10.482 -9.318 1.00 45.13 C ATOM 2072 O VAL A 132 -1.134 9.597 -9.703 1.00 11.14 O ATOM 2073 CB VAL A 132 -1.732 11.602 -7.065 1.00 35.42 C ATOM 2074 CG1 VAL A 132 -1.195 10.321 -6.441 1.00 54.32 C ATOM 2075 CG2 VAL A 132 -1.233 12.813 -6.291 1.00 41.14 C ATOM 0 H VAL A 132 -2.360 13.521 -8.558 1.00 1.21 H new ATOM 0 HA VAL A 132 -0.245 11.704 -8.624 1.00 2.14 H new ATOM 0 HB VAL A 132 -2.821 11.584 -7.011 1.00 35.42 H new ATOM 0 HG11 VAL A 132 -1.487 10.277 -5.392 1.00 54.32 H new ATOM 0 HG12 VAL A 132 -1.606 9.460 -6.968 1.00 54.32 H new ATOM 0 HG13 VAL A 132 -0.108 10.308 -6.516 1.00 54.32 H new ATOM 0 HG21 VAL A 132 -1.526 12.722 -5.245 1.00 41.14 H new ATOM 0 HG22 VAL A 132 -0.147 12.867 -6.361 1.00 41.14 H new ATOM 0 HG23 VAL A 132 -1.669 13.719 -6.712 1.00 41.14 H new ATOM 2085 N SER A 133 -3.200 10.486 -9.542 1.00 62.23 N ATOM 2086 CA SER A 133 -3.902 9.427 -10.248 1.00 3.33 C ATOM 2087 C SER A 133 -3.261 9.178 -11.602 1.00 53.35 C ATOM 2088 O SER A 133 -2.890 8.047 -11.915 1.00 25.23 O ATOM 2089 CB SER A 133 -5.387 9.823 -10.424 1.00 41.33 C ATOM 2090 OG SER A 133 -6.150 8.822 -11.112 1.00 64.22 O ATOM 0 H SER A 133 -3.812 11.240 -9.231 1.00 62.23 H new ATOM 0 HA SER A 133 -3.840 8.508 -9.666 1.00 3.33 H new ATOM 0 HB2 SER A 133 -5.830 10.001 -9.444 1.00 41.33 H new ATOM 0 HB3 SER A 133 -5.445 10.761 -10.976 1.00 41.33 H new ATOM 0 HG SER A 133 -5.771 8.677 -12.004 1.00 64.22 H new ATOM 2096 N ALA A 134 -3.097 10.247 -12.375 1.00 43.33 N ATOM 2097 CA ALA A 134 -2.508 10.160 -13.700 1.00 34.13 C ATOM 2098 C ALA A 134 -1.124 9.557 -13.635 1.00 72.12 C ATOM 2099 O ALA A 134 -0.817 8.637 -14.371 1.00 35.03 O ATOM 2100 CB ALA A 134 -2.469 11.527 -14.360 1.00 33.12 C ATOM 0 H ALA A 134 -3.368 11.191 -12.100 1.00 43.33 H new ATOM 0 HA ALA A 134 -3.133 9.506 -14.307 1.00 34.13 H new ATOM 0 HB1 ALA A 134 -2.024 11.440 -15.351 1.00 33.12 H new ATOM 0 HB2 ALA A 134 -3.483 11.917 -14.450 1.00 33.12 H new ATOM 0 HB3 ALA A 134 -1.872 12.207 -13.753 1.00 33.12 H new ATOM 2106 N MET A 135 -0.324 10.067 -12.724 1.00 22.30 N ATOM 2107 CA MET A 135 1.045 9.623 -12.512 1.00 32.51 C ATOM 2108 C MET A 135 1.108 8.134 -12.137 1.00 62.31 C ATOM 2109 O MET A 135 1.966 7.398 -12.633 1.00 63.33 O ATOM 2110 CB MET A 135 1.681 10.477 -11.433 1.00 61.33 C ATOM 2111 CG MET A 135 3.118 10.147 -11.133 1.00 70.02 C ATOM 2112 SD MET A 135 3.810 11.244 -9.887 1.00 74.04 S ATOM 2113 CE MET A 135 2.755 10.894 -8.484 1.00 63.40 C ATOM 0 H MET A 135 -0.609 10.818 -12.095 1.00 22.30 H new ATOM 0 HA MET A 135 1.598 9.738 -13.444 1.00 32.51 H new ATOM 0 HB2 MET A 135 1.618 11.523 -11.733 1.00 61.33 H new ATOM 0 HB3 MET A 135 1.100 10.372 -10.517 1.00 61.33 H new ATOM 0 HG2 MET A 135 3.190 9.115 -10.789 1.00 70.02 H new ATOM 0 HG3 MET A 135 3.706 10.219 -12.048 1.00 70.02 H new ATOM 0 HE1 MET A 135 3.188 11.333 -7.585 1.00 63.40 H new ATOM 0 HE2 MET A 135 1.767 11.320 -8.657 1.00 63.40 H new ATOM 0 HE3 MET A 135 2.667 9.815 -8.355 1.00 63.40 H new ATOM 2123 N ILE A 136 0.196 7.697 -11.275 1.00 50.20 N ATOM 2124 CA ILE A 136 0.115 6.289 -10.885 1.00 32.10 C ATOM 2125 C ILE A 136 -0.187 5.457 -12.115 1.00 21.11 C ATOM 2126 O ILE A 136 0.451 4.433 -12.372 1.00 25.10 O ATOM 2127 CB ILE A 136 -0.998 6.052 -9.817 1.00 64.54 C ATOM 2128 CG1 ILE A 136 -0.674 6.800 -8.515 1.00 64.32 C ATOM 2129 CG2 ILE A 136 -1.215 4.555 -9.551 1.00 4.23 C ATOM 2130 CD1 ILE A 136 -1.745 6.672 -7.450 1.00 11.42 C ATOM 0 H ILE A 136 -0.500 8.297 -10.831 1.00 50.20 H new ATOM 0 HA ILE A 136 1.069 5.998 -10.446 1.00 32.10 H new ATOM 0 HB ILE A 136 -1.930 6.452 -10.217 1.00 64.54 H new ATOM 0 HG12 ILE A 136 0.268 6.424 -8.116 1.00 64.32 H new ATOM 0 HG13 ILE A 136 -0.525 7.856 -8.742 1.00 64.32 H new ATOM 0 HG21 ILE A 136 -1.997 4.428 -8.802 1.00 4.23 H new ATOM 0 HG22 ILE A 136 -1.514 4.061 -10.475 1.00 4.23 H new ATOM 0 HG23 ILE A 136 -0.288 4.112 -9.186 1.00 4.23 H new ATOM 0 HD11 ILE A 136 -1.443 7.227 -6.562 1.00 11.42 H new ATOM 0 HD12 ILE A 136 -2.684 7.076 -7.828 1.00 11.42 H new ATOM 0 HD13 ILE A 136 -1.879 5.621 -7.193 1.00 11.42 H new ATOM 2142 N GLU A 137 -1.134 5.935 -12.889 1.00 53.31 N ATOM 2143 CA GLU A 137 -1.544 5.286 -14.103 1.00 14.43 C ATOM 2144 C GLU A 137 -0.416 5.283 -15.149 1.00 64.43 C ATOM 2145 O GLU A 137 -0.316 4.362 -15.923 1.00 2.12 O ATOM 2146 CB GLU A 137 -2.841 5.913 -14.628 1.00 35.25 C ATOM 2147 CG GLU A 137 -4.009 5.744 -13.655 1.00 3.52 C ATOM 2148 CD GLU A 137 -5.285 6.419 -14.099 1.00 13.32 C ATOM 2149 OE1 GLU A 137 -6.008 5.855 -14.953 1.00 61.35 O ATOM 2150 OE2 GLU A 137 -5.617 7.506 -13.570 1.00 32.33 O ATOM 0 H GLU A 137 -1.644 6.795 -12.687 1.00 53.31 H new ATOM 0 HA GLU A 137 -1.755 4.239 -13.887 1.00 14.43 H new ATOM 0 HB2 GLU A 137 -2.678 6.975 -14.814 1.00 35.25 H new ATOM 0 HB3 GLU A 137 -3.100 5.458 -15.584 1.00 35.25 H new ATOM 0 HG2 GLU A 137 -4.202 4.680 -13.518 1.00 3.52 H new ATOM 0 HG3 GLU A 137 -3.719 6.143 -12.683 1.00 3.52 H new ATOM 2157 N GLU A 138 0.443 6.311 -15.128 1.00 32.55 N ATOM 2158 CA GLU A 138 1.601 6.379 -16.040 1.00 32.30 C ATOM 2159 C GLU A 138 2.596 5.276 -15.704 1.00 5.14 C ATOM 2160 O GLU A 138 3.154 4.626 -16.584 1.00 2.54 O ATOM 2161 CB GLU A 138 2.342 7.719 -15.930 1.00 54.21 C ATOM 2162 CG GLU A 138 1.528 8.954 -16.230 1.00 72.34 C ATOM 2163 CD GLU A 138 2.371 10.201 -16.178 1.00 31.14 C ATOM 2164 OE1 GLU A 138 2.555 10.760 -15.092 1.00 52.32 O ATOM 2165 OE2 GLU A 138 2.888 10.637 -17.240 1.00 13.33 O ATOM 0 H GLU A 138 0.362 7.106 -14.494 1.00 32.55 H new ATOM 0 HA GLU A 138 1.211 6.265 -17.051 1.00 32.30 H new ATOM 0 HB2 GLU A 138 2.741 7.808 -14.920 1.00 54.21 H new ATOM 0 HB3 GLU A 138 3.194 7.697 -16.609 1.00 54.21 H new ATOM 0 HG2 GLU A 138 1.076 8.861 -17.217 1.00 72.34 H new ATOM 0 HG3 GLU A 138 0.712 9.036 -15.512 1.00 72.34 H new ATOM 2172 N VAL A 139 2.826 5.078 -14.428 1.00 65.24 N ATOM 2173 CA VAL A 139 3.761 4.069 -13.984 1.00 43.31 C ATOM 2174 C VAL A 139 3.171 2.662 -14.184 1.00 52.51 C ATOM 2175 O VAL A 139 3.845 1.750 -14.678 1.00 41.51 O ATOM 2176 CB VAL A 139 4.176 4.279 -12.495 1.00 44.41 C ATOM 2177 CG1 VAL A 139 5.139 3.199 -12.048 1.00 3.43 C ATOM 2178 CG2 VAL A 139 4.810 5.658 -12.294 1.00 22.13 C ATOM 0 H VAL A 139 2.378 5.603 -13.677 1.00 65.24 H new ATOM 0 HA VAL A 139 4.660 4.165 -14.593 1.00 43.31 H new ATOM 0 HB VAL A 139 3.273 4.218 -11.887 1.00 44.41 H new ATOM 0 HG11 VAL A 139 5.415 3.366 -11.007 1.00 3.43 H new ATOM 0 HG12 VAL A 139 4.663 2.224 -12.146 1.00 3.43 H new ATOM 0 HG13 VAL A 139 6.034 3.229 -12.670 1.00 3.43 H new ATOM 0 HG21 VAL A 139 5.091 5.780 -11.248 1.00 22.13 H new ATOM 0 HG22 VAL A 139 5.698 5.745 -12.921 1.00 22.13 H new ATOM 0 HG23 VAL A 139 4.094 6.432 -12.570 1.00 22.13 H new ATOM 2188 N PHE A 140 1.922 2.509 -13.834 1.00 0.42 N ATOM 2189 CA PHE A 140 1.249 1.231 -13.934 1.00 54.24 C ATOM 2190 C PHE A 140 0.767 0.842 -15.323 1.00 31.25 C ATOM 2191 O PHE A 140 0.480 -0.327 -15.539 1.00 12.01 O ATOM 2192 CB PHE A 140 0.120 1.083 -12.925 1.00 21.54 C ATOM 2193 CG PHE A 140 0.563 0.662 -11.561 1.00 2.24 C ATOM 2194 CD1 PHE A 140 0.730 -0.678 -11.291 1.00 3.01 C ATOM 2195 CD2 PHE A 140 0.782 1.573 -10.545 1.00 4.31 C ATOM 2196 CE1 PHE A 140 1.098 -1.108 -10.057 1.00 41.04 C ATOM 2197 CE2 PHE A 140 1.166 1.129 -9.290 1.00 73.54 C ATOM 2198 CZ PHE A 140 1.316 -0.229 -9.063 1.00 45.11 C ATOM 0 H PHE A 140 1.338 3.263 -13.471 1.00 0.42 H new ATOM 0 HA PHE A 140 2.042 0.524 -13.692 1.00 54.24 H new ATOM 0 HB2 PHE A 140 -0.407 2.034 -12.845 1.00 21.54 H new ATOM 0 HB3 PHE A 140 -0.596 0.353 -13.303 1.00 21.54 H new ATOM 0 HD1 PHE A 140 0.565 -1.401 -12.076 1.00 3.01 H new ATOM 0 HD2 PHE A 140 0.654 2.629 -10.729 1.00 4.31 H new ATOM 0 HE1 PHE A 140 1.217 -2.165 -9.872 1.00 41.04 H new ATOM 0 HE2 PHE A 140 1.347 1.837 -8.495 1.00 73.54 H new ATOM 0 HZ PHE A 140 1.609 -0.583 -8.085 1.00 45.11 H new ATOM 2208 N GLU A 141 0.681 1.779 -16.259 1.00 64.43 N ATOM 2209 CA GLU A 141 0.133 1.479 -17.594 1.00 11.25 C ATOM 2210 C GLU A 141 0.858 0.337 -18.308 1.00 24.22 C ATOM 2211 O GLU A 141 0.247 -0.417 -19.064 1.00 62.34 O ATOM 2212 CB GLU A 141 0.050 2.717 -18.480 1.00 64.55 C ATOM 2213 CG GLU A 141 1.364 3.391 -18.780 1.00 52.20 C ATOM 2214 CD GLU A 141 1.184 4.599 -19.664 1.00 60.24 C ATOM 2215 OE1 GLU A 141 1.205 4.445 -20.902 1.00 2.23 O ATOM 2216 OE2 GLU A 141 1.005 5.719 -19.142 1.00 51.44 O ATOM 0 H GLU A 141 0.978 2.746 -16.130 1.00 64.43 H new ATOM 0 HA GLU A 141 -0.884 1.133 -17.411 1.00 11.25 H new ATOM 0 HB2 GLU A 141 -0.418 2.436 -19.424 1.00 64.55 H new ATOM 0 HB3 GLU A 141 -0.609 3.441 -18.001 1.00 64.55 H new ATOM 0 HG2 GLU A 141 1.840 3.691 -17.847 1.00 52.20 H new ATOM 0 HG3 GLU A 141 2.034 2.682 -19.266 1.00 52.20 H new ATOM 2223 N ALA A 142 2.135 0.196 -18.040 1.00 13.53 N ATOM 2224 CA ALA A 142 2.936 -0.868 -18.641 1.00 74.12 C ATOM 2225 C ALA A 142 2.659 -2.235 -17.981 1.00 4.24 C ATOM 2226 O ALA A 142 2.998 -3.283 -18.532 1.00 2.31 O ATOM 2227 CB ALA A 142 4.413 -0.524 -18.559 1.00 22.13 C ATOM 0 H ALA A 142 2.653 0.805 -17.406 1.00 13.53 H new ATOM 0 HA ALA A 142 2.649 -0.949 -19.689 1.00 74.12 H new ATOM 0 HB1 ALA A 142 4.999 -1.325 -19.010 1.00 22.13 H new ATOM 0 HB2 ALA A 142 4.600 0.408 -19.093 1.00 22.13 H new ATOM 0 HB3 ALA A 142 4.702 -0.407 -17.514 1.00 22.13 H new ATOM 2233 N THR A 143 2.036 -2.218 -16.823 1.00 33.32 N ATOM 2234 CA THR A 143 1.748 -3.439 -16.085 1.00 52.40 C ATOM 2235 C THR A 143 0.247 -3.762 -16.200 1.00 72.21 C ATOM 2236 O THR A 143 -0.455 -3.153 -17.012 1.00 12.32 O ATOM 2237 CB THR A 143 2.157 -3.292 -14.593 1.00 34.41 C ATOM 2238 OG1 THR A 143 1.420 -2.230 -13.978 1.00 3.42 O ATOM 2239 CG2 THR A 143 3.655 -3.004 -14.464 1.00 30.22 C ATOM 0 H THR A 143 1.714 -1.366 -16.364 1.00 33.32 H new ATOM 0 HA THR A 143 2.328 -4.257 -16.512 1.00 52.40 H new ATOM 0 HB THR A 143 1.931 -4.233 -14.091 1.00 34.41 H new ATOM 0 HG1 THR A 143 0.858 -1.790 -14.650 1.00 3.42 H new ATOM 0 HG21 THR A 143 3.917 -2.905 -13.411 1.00 30.22 H new ATOM 0 HG22 THR A 143 4.222 -3.824 -14.904 1.00 30.22 H new ATOM 0 HG23 THR A 143 3.894 -2.077 -14.986 1.00 30.22 H new ATOM 2247 N ASP A 144 -0.248 -4.705 -15.423 1.00 65.35 N ATOM 2248 CA ASP A 144 -1.682 -5.046 -15.473 1.00 55.31 C ATOM 2249 C ASP A 144 -2.302 -4.955 -14.082 1.00 22.32 C ATOM 2250 O ASP A 144 -3.454 -5.344 -13.873 1.00 12.54 O ATOM 2251 CB ASP A 144 -1.902 -6.457 -16.057 1.00 42.13 C ATOM 2252 CG ASP A 144 -1.444 -7.590 -15.148 1.00 20.10 C ATOM 2253 OD1 ASP A 144 -0.235 -7.866 -15.082 1.00 54.43 O ATOM 2254 OD2 ASP A 144 -2.306 -8.237 -14.504 1.00 21.33 O ATOM 0 H ASP A 144 0.299 -5.249 -14.756 1.00 65.35 H new ATOM 0 HA ASP A 144 -2.171 -4.325 -16.128 1.00 55.31 H new ATOM 0 HB2 ASP A 144 -2.962 -6.587 -16.273 1.00 42.13 H new ATOM 0 HB3 ASP A 144 -1.371 -6.531 -17.006 1.00 42.13 H new ATOM 2259 N ILE A 145 -1.545 -4.389 -13.156 1.00 22.54 N ATOM 2260 CA ILE A 145 -1.941 -4.302 -11.748 1.00 41.42 C ATOM 2261 C ILE A 145 -3.092 -3.294 -11.559 1.00 63.34 C ATOM 2262 O ILE A 145 -3.075 -2.190 -12.140 1.00 2.41 O ATOM 2263 CB ILE A 145 -0.713 -3.912 -10.870 1.00 23.24 C ATOM 2264 CG1 ILE A 145 0.444 -4.857 -11.217 1.00 51.42 C ATOM 2265 CG2 ILE A 145 -1.061 -4.016 -9.387 1.00 44.25 C ATOM 2266 CD1 ILE A 145 1.765 -4.472 -10.625 1.00 33.35 C ATOM 0 H ILE A 145 -0.635 -3.974 -13.354 1.00 22.54 H new ATOM 0 HA ILE A 145 -2.301 -5.280 -11.429 1.00 41.42 H new ATOM 0 HB ILE A 145 -0.425 -2.880 -11.071 1.00 23.24 H new ATOM 0 HG12 ILE A 145 0.189 -5.861 -10.879 1.00 51.42 H new ATOM 0 HG13 ILE A 145 0.546 -4.902 -12.301 1.00 51.42 H new ATOM 0 HG21 ILE A 145 -0.192 -3.740 -8.789 1.00 44.25 H new ATOM 0 HG22 ILE A 145 -1.887 -3.342 -9.159 1.00 44.25 H new ATOM 0 HG23 ILE A 145 -1.352 -5.040 -9.153 1.00 44.25 H new ATOM 0 HD11 ILE A 145 2.523 -5.197 -10.924 1.00 33.35 H new ATOM 0 HD12 ILE A 145 2.049 -3.482 -10.982 1.00 33.35 H new ATOM 0 HD13 ILE A 145 1.686 -4.457 -9.538 1.00 33.35 H new ATOM 2278 N LYS A 146 -4.087 -3.697 -10.780 1.00 63.13 N ATOM 2279 CA LYS A 146 -5.265 -2.888 -10.509 1.00 14.43 C ATOM 2280 C LYS A 146 -4.996 -2.056 -9.278 1.00 51.13 C ATOM 2281 O LYS A 146 -4.327 -2.524 -8.341 1.00 74.03 O ATOM 2282 CB LYS A 146 -6.480 -3.784 -10.200 1.00 22.42 C ATOM 2283 CG LYS A 146 -6.676 -4.967 -11.132 1.00 3.21 C ATOM 2284 CD LYS A 146 -6.756 -4.577 -12.590 1.00 74.51 C ATOM 2285 CE LYS A 146 -6.896 -5.820 -13.452 1.00 43.31 C ATOM 2286 NZ LYS A 146 -5.789 -6.784 -13.219 1.00 55.03 N ATOM 0 H LYS A 146 -4.098 -4.604 -10.314 1.00 63.13 H new ATOM 0 HA LYS A 146 -5.475 -2.270 -11.382 1.00 14.43 H new ATOM 0 HB2 LYS A 146 -6.383 -4.159 -9.181 1.00 22.42 H new ATOM 0 HB3 LYS A 146 -7.379 -3.169 -10.229 1.00 22.42 H new ATOM 0 HG2 LYS A 146 -5.852 -5.667 -10.996 1.00 3.21 H new ATOM 0 HG3 LYS A 146 -7.590 -5.492 -10.853 1.00 3.21 H new ATOM 0 HD2 LYS A 146 -7.606 -3.914 -12.752 1.00 74.51 H new ATOM 0 HD3 LYS A 146 -5.862 -4.024 -12.877 1.00 74.51 H new ATOM 0 HE2 LYS A 146 -7.849 -6.304 -13.239 1.00 43.31 H new ATOM 0 HE3 LYS A 146 -6.912 -5.533 -14.503 1.00 43.31 H new ATOM 0 HZ1 LYS A 146 -5.804 -7.515 -13.959 1.00 55.03 H new ATOM 0 HZ2 LYS A 146 -4.879 -6.281 -13.247 1.00 55.03 H new ATOM 0 HZ3 LYS A 146 -5.908 -7.231 -12.288 1.00 55.03 H new ATOM 2300 N ILE A 147 -5.507 -0.853 -9.251 1.00 40.13 N ATOM 2301 CA ILE A 147 -5.298 0.008 -8.122 1.00 31.31 C ATOM 2302 C ILE A 147 -6.662 0.302 -7.494 1.00 45.41 C ATOM 2303 O ILE A 147 -7.540 0.902 -8.132 1.00 70.40 O ATOM 2304 CB ILE A 147 -4.686 1.378 -8.560 1.00 73.11 C ATOM 2305 CG1 ILE A 147 -3.551 1.206 -9.603 1.00 15.43 C ATOM 2306 CG2 ILE A 147 -4.178 2.152 -7.344 1.00 23.54 C ATOM 2307 CD1 ILE A 147 -2.377 0.382 -9.153 1.00 41.52 C ATOM 0 H ILE A 147 -6.071 -0.449 -9.999 1.00 40.13 H new ATOM 0 HA ILE A 147 -4.617 -0.486 -7.429 1.00 31.31 H new ATOM 0 HB ILE A 147 -5.483 1.948 -9.038 1.00 73.11 H new ATOM 0 HG12 ILE A 147 -3.971 0.749 -10.499 1.00 15.43 H new ATOM 0 HG13 ILE A 147 -3.191 2.194 -9.888 1.00 15.43 H new ATOM 0 HG21 ILE A 147 -3.755 3.103 -7.669 1.00 23.54 H new ATOM 0 HG22 ILE A 147 -5.005 2.337 -6.659 1.00 23.54 H new ATOM 0 HG23 ILE A 147 -3.410 1.568 -6.836 1.00 23.54 H new ATOM 0 HD11 ILE A 147 -1.643 0.325 -9.957 1.00 41.52 H new ATOM 0 HD12 ILE A 147 -1.922 0.845 -8.278 1.00 41.52 H new ATOM 0 HD13 ILE A 147 -2.714 -0.623 -8.898 1.00 41.52 H new ATOM 2319 N THR A 148 -6.847 -0.091 -6.283 1.00 74.44 N ATOM 2320 CA THR A 148 -8.064 0.196 -5.600 1.00 55.13 C ATOM 2321 C THR A 148 -7.773 1.209 -4.505 1.00 12.34 C ATOM 2322 O THR A 148 -7.097 0.907 -3.522 1.00 23.34 O ATOM 2323 CB THR A 148 -8.686 -1.084 -5.003 1.00 62.22 C ATOM 2324 OG1 THR A 148 -8.785 -2.090 -6.036 1.00 33.04 O ATOM 2325 CG2 THR A 148 -10.083 -0.791 -4.483 1.00 34.21 C ATOM 0 H THR A 148 -6.165 -0.618 -5.738 1.00 74.44 H new ATOM 0 HA THR A 148 -8.786 0.606 -6.306 1.00 55.13 H new ATOM 0 HB THR A 148 -8.056 -1.435 -4.186 1.00 62.22 H new ATOM 0 HG1 THR A 148 -9.178 -2.906 -5.661 1.00 33.04 H new ATOM 0 HG21 THR A 148 -10.513 -1.700 -4.064 1.00 34.21 H new ATOM 0 HG22 THR A 148 -10.030 -0.025 -3.710 1.00 34.21 H new ATOM 0 HG23 THR A 148 -10.709 -0.437 -5.302 1.00 34.21 H new ATOM 2333 N VAL A 149 -8.254 2.399 -4.682 1.00 10.24 N ATOM 2334 CA VAL A 149 -7.993 3.457 -3.752 1.00 61.43 C ATOM 2335 C VAL A 149 -9.183 3.686 -2.879 1.00 53.24 C ATOM 2336 O VAL A 149 -10.303 3.872 -3.365 1.00 4.34 O ATOM 2337 CB VAL A 149 -7.582 4.773 -4.467 1.00 23.24 C ATOM 2338 CG1 VAL A 149 -7.383 5.913 -3.468 1.00 22.22 C ATOM 2339 CG2 VAL A 149 -6.306 4.552 -5.242 1.00 42.13 C ATOM 0 H VAL A 149 -8.839 2.667 -5.474 1.00 10.24 H new ATOM 0 HA VAL A 149 -7.151 3.148 -3.133 1.00 61.43 H new ATOM 0 HB VAL A 149 -8.387 5.054 -5.146 1.00 23.24 H new ATOM 0 HG11 VAL A 149 -7.096 6.819 -4.002 1.00 22.22 H new ATOM 0 HG12 VAL A 149 -8.313 6.090 -2.928 1.00 22.22 H new ATOM 0 HG13 VAL A 149 -6.598 5.644 -2.761 1.00 22.22 H new ATOM 0 HG21 VAL A 149 -6.020 5.477 -5.743 1.00 42.13 H new ATOM 0 HG22 VAL A 149 -5.513 4.249 -4.558 1.00 42.13 H new ATOM 0 HG23 VAL A 149 -6.463 3.770 -5.985 1.00 42.13 H new ATOM 2349 N TYR A 150 -8.956 3.640 -1.612 1.00 11.14 N ATOM 2350 CA TYR A 150 -9.980 3.889 -0.670 1.00 64.31 C ATOM 2351 C TYR A 150 -9.945 5.325 -0.271 1.00 71.34 C ATOM 2352 O TYR A 150 -8.947 5.818 0.277 1.00 55.03 O ATOM 2353 CB TYR A 150 -9.908 2.934 0.513 1.00 53.44 C ATOM 2354 CG TYR A 150 -10.214 1.503 0.115 1.00 52.52 C ATOM 2355 CD1 TYR A 150 -9.238 0.684 -0.426 1.00 45.42 C ATOM 2356 CD2 TYR A 150 -11.487 0.978 0.275 1.00 13.13 C ATOM 2357 CE1 TYR A 150 -9.525 -0.613 -0.794 1.00 42.30 C ATOM 2358 CE2 TYR A 150 -11.774 -0.321 -0.091 1.00 73.41 C ATOM 2359 CZ TYR A 150 -10.787 -1.109 -0.622 1.00 40.33 C ATOM 2360 OH TYR A 150 -11.064 -2.404 -0.990 1.00 55.22 O ATOM 0 H TYR A 150 -8.047 3.427 -1.202 1.00 11.14 H new ATOM 0 HA TYR A 150 -10.948 3.695 -1.131 1.00 64.31 H new ATOM 0 HB2 TYR A 150 -8.913 2.981 0.955 1.00 53.44 H new ATOM 0 HB3 TYR A 150 -10.613 3.255 1.280 1.00 53.44 H new ATOM 0 HD1 TYR A 150 -8.237 1.067 -0.562 1.00 45.42 H new ATOM 0 HD2 TYR A 150 -12.267 1.596 0.693 1.00 13.13 H new ATOM 0 HE1 TYR A 150 -8.753 -1.237 -1.218 1.00 42.30 H new ATOM 0 HE2 TYR A 150 -12.771 -0.714 0.040 1.00 73.41 H new ATOM 0 HH TYR A 150 -12.005 -2.603 -0.802 1.00 55.22 H new ATOM 2370 N THR A 151 -11.008 6.002 -0.558 1.00 45.51 N ATOM 2371 CA THR A 151 -11.072 7.400 -0.373 1.00 3.41 C ATOM 2372 C THR A 151 -11.621 7.789 0.978 1.00 64.42 C ATOM 2373 O THR A 151 -12.506 7.118 1.550 1.00 14.31 O ATOM 2374 CB THR A 151 -11.882 8.082 -1.498 1.00 74.34 C ATOM 2375 OG1 THR A 151 -13.188 7.501 -1.593 1.00 24.12 O ATOM 2376 CG2 THR A 151 -11.169 7.959 -2.831 1.00 33.32 C ATOM 0 H THR A 151 -11.862 5.588 -0.931 1.00 45.51 H new ATOM 0 HA THR A 151 -10.043 7.756 -0.417 1.00 3.41 H new ATOM 0 HB THR A 151 -11.976 9.139 -1.251 1.00 74.34 H new ATOM 0 HG1 THR A 151 -13.861 8.213 -1.627 1.00 24.12 H new ATOM 0 HG21 THR A 151 -11.760 8.447 -3.606 1.00 33.32 H new ATOM 0 HG22 THR A 151 -10.191 8.436 -2.766 1.00 33.32 H new ATOM 0 HG23 THR A 151 -11.043 6.905 -3.080 1.00 33.32 H new ATOM 2384 N LEU A 152 -11.045 8.811 1.504 1.00 5.04 N ATOM 2385 CA LEU A 152 -11.473 9.424 2.700 1.00 54.44 C ATOM 2386 C LEU A 152 -11.725 10.859 2.342 1.00 70.01 C ATOM 2387 O LEU A 152 -12.888 11.260 2.233 1.00 38.11 O ATOM 2388 CB LEU A 152 -10.395 9.317 3.787 1.00 61.03 C ATOM 2389 CG LEU A 152 -10.745 9.918 5.151 1.00 32.24 C ATOM 2390 CD1 LEU A 152 -11.951 9.216 5.759 1.00 64.43 C ATOM 2391 CD2 LEU A 152 -9.550 9.840 6.086 1.00 60.22 C ATOM 2392 OXT LEU A 152 -10.746 11.555 2.039 1.00 38.11 O ATOM 0 H LEU A 152 -10.227 9.258 1.090 1.00 5.04 H new ATOM 0 HA LEU A 152 -12.364 8.943 3.102 1.00 54.44 H new ATOM 0 HB2 LEU A 152 -10.156 8.263 3.929 1.00 61.03 H new ATOM 0 HB3 LEU A 152 -9.491 9.803 3.421 1.00 61.03 H new ATOM 0 HG LEU A 152 -11.003 10.967 5.007 1.00 32.24 H new ATOM 0 HD11 LEU A 152 -12.181 9.660 6.728 1.00 64.43 H new ATOM 0 HD12 LEU A 152 -12.809 9.327 5.096 1.00 64.43 H new ATOM 0 HD13 LEU A 152 -11.728 8.157 5.889 1.00 64.43 H new ATOM 0 HD21 LEU A 152 -9.815 10.271 7.051 1.00 60.22 H new ATOM 0 HD22 LEU A 152 -9.261 8.798 6.221 1.00 60.22 H new ATOM 0 HD23 LEU A 152 -8.716 10.395 5.657 1.00 60.22 H new TER 2404 LEU A 152