USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 698 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 62 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0.113 USER MOD Set 1.3: A 130 SER OG : rot 100:sc= 0.115 USER MOD Set 2.1: A 80 TYR OH : rot 180:sc= -1.23 USER MOD Set 2.2: A 126 SER OG : rot -82:sc= 1.26 USER MOD Set 3.1: A 45 TYR OH : rot -167:sc= 0.633 USER MOD Set 3.2: A 61 GLN : amide:sc= -0.468 K(o=0.16,f=-1.5!) USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= 0.142! F(o=-0.59,f=0.71!) USER MOD Set 4.2: A 42 SER OG : rot -85:sc= -0.389! USER MOD Set 4.3: A 44 THR OG1 : rot -44:sc= 0.956 USER MOD Set 5.1: A 17 GLN : amide:sc= -2.19! C(o=-2.4!,f=-4!) USER MOD Set 5.2: A 21 MET CE :methyl -148:sc= -0.238 (180deg=-1.59!) USER MOD Set 6.1: A 12 SER OG : rot 170:sc= 0 USER MOD Set 6.2: A 139 THR OG1 : rot 180:sc= -1.78 USER MOD Single : A 2 THR OG1 : rot 46:sc= 0.147 USER MOD Single : A 3 SER OG : rot 80:sc= -0.32 USER MOD Single : A 4 THR OG1 : rot -160:sc= -0.641 USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 9 TYR OH : rot 130:sc= -1.36 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 15 GLN : amide:sc= -0.975 K(o=-0.97,f=-5.7!) USER MOD Single : A 18 MET CE :methyl -154:sc= -0.173 (180deg=-1.25) USER MOD Single : A 19 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.6!) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.000564) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= -0.625 (180deg=-1.32!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.506 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.364 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.446 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -5.61! C(o=-5.6!,f=-5.7!) USER MOD Single : A 116 ASN : amide:sc= 0.501 K(o=0.5,f=-1.7) USER MOD Single : A 118 MET CE :methyl 170:sc= -0.551 (180deg=-0.851) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 123.759 -18.087 -0.078 1.00 0.00 N ATOM 2 CA THR A 2 124.848 -17.069 -0.236 1.00 0.00 C ATOM 3 C THR A 2 124.285 -15.639 -0.104 1.00 0.00 C ATOM 4 O THR A 2 124.146 -15.128 0.991 1.00 0.00 O ATOM 5 CB THR A 2 125.427 -17.332 -1.633 1.00 0.00 C ATOM 6 OG1 THR A 2 125.970 -18.644 -1.675 1.00 0.00 O ATOM 7 CG2 THR A 2 126.529 -16.315 -1.938 1.00 0.00 C ATOM 0 HA THR A 2 125.614 -17.151 0.535 1.00 0.00 H new ATOM 0 HB THR A 2 124.636 -17.236 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 2 125.336 -19.274 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 2 126.936 -16.507 -2.931 1.00 0.00 H new ATOM 0 HG22 THR A 2 126.114 -15.308 -1.904 1.00 0.00 H new ATOM 0 HG23 THR A 2 127.323 -16.405 -1.197 1.00 0.00 H new ATOM 15 N SER A 3 123.953 -14.991 -1.197 1.00 0.00 N ATOM 16 CA SER A 3 123.397 -13.611 -1.104 1.00 0.00 C ATOM 17 C SER A 3 122.432 -13.363 -2.263 1.00 0.00 C ATOM 18 O SER A 3 122.544 -13.970 -3.311 1.00 0.00 O ATOM 19 CB SER A 3 124.610 -12.687 -1.201 1.00 0.00 C ATOM 20 OG SER A 3 125.143 -12.746 -2.518 1.00 0.00 O ATOM 0 H SER A 3 124.044 -15.360 -2.144 1.00 0.00 H new ATOM 0 HA SER A 3 122.839 -13.446 -0.182 1.00 0.00 H new ATOM 0 HB2 SER A 3 124.322 -11.664 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 125.368 -12.985 -0.476 1.00 0.00 H new ATOM 0 HG SER A 3 124.607 -12.182 -3.114 1.00 0.00 H new ATOM 25 N THR A 4 121.494 -12.470 -2.090 1.00 0.00 N ATOM 26 CA THR A 4 120.533 -12.179 -3.192 1.00 0.00 C ATOM 27 C THR A 4 120.331 -10.668 -3.327 1.00 0.00 C ATOM 28 O THR A 4 120.195 -9.961 -2.347 1.00 0.00 O ATOM 29 CB THR A 4 119.227 -12.866 -2.784 1.00 0.00 C ATOM 30 OG1 THR A 4 119.488 -14.225 -2.463 1.00 0.00 O ATOM 31 CG2 THR A 4 118.228 -12.799 -3.940 1.00 0.00 C ATOM 0 H THR A 4 121.352 -11.931 -1.236 1.00 0.00 H new ATOM 0 HA THR A 4 120.891 -12.540 -4.156 1.00 0.00 H new ATOM 0 HB THR A 4 118.808 -12.359 -1.915 1.00 0.00 H new ATOM 0 HG1 THR A 4 118.655 -14.739 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 117.299 -13.289 -3.647 1.00 0.00 H new ATOM 0 HG22 THR A 4 118.026 -11.757 -4.187 1.00 0.00 H new ATOM 0 HG23 THR A 4 118.645 -13.304 -4.811 1.00 0.00 H new ATOM 39 N VAL A 5 120.297 -10.175 -4.533 1.00 0.00 N ATOM 40 CA VAL A 5 120.090 -8.712 -4.744 1.00 0.00 C ATOM 41 C VAL A 5 118.675 -8.483 -5.270 1.00 0.00 C ATOM 42 O VAL A 5 118.204 -9.214 -6.118 1.00 0.00 O ATOM 43 CB VAL A 5 121.132 -8.300 -5.788 1.00 0.00 C ATOM 44 CG1 VAL A 5 121.009 -6.801 -6.069 1.00 0.00 C ATOM 45 CG2 VAL A 5 122.537 -8.598 -5.258 1.00 0.00 C ATOM 0 H VAL A 5 120.404 -10.723 -5.386 1.00 0.00 H new ATOM 0 HA VAL A 5 120.201 -8.131 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 5 120.961 -8.861 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 5 121.751 -6.508 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 5 120.010 -6.582 -6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.178 -6.243 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 5 123.277 -8.304 -6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 5 122.705 -8.038 -4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 5 122.631 -9.665 -5.055 1.00 0.00 H new ATOM 55 N THR A 6 117.992 -7.478 -4.786 1.00 0.00 N ATOM 56 CA THR A 6 116.607 -7.218 -5.279 1.00 0.00 C ATOM 57 C THR A 6 116.228 -5.753 -5.054 1.00 0.00 C ATOM 58 O THR A 6 116.440 -5.209 -3.987 1.00 0.00 O ATOM 59 CB THR A 6 115.711 -8.138 -4.447 1.00 0.00 C ATOM 60 OG1 THR A 6 116.172 -9.476 -4.564 1.00 0.00 O ATOM 61 CG2 THR A 6 114.271 -8.045 -4.952 1.00 0.00 C ATOM 0 H THR A 6 118.331 -6.830 -4.075 1.00 0.00 H new ATOM 0 HA THR A 6 116.508 -7.409 -6.348 1.00 0.00 H new ATOM 0 HB THR A 6 115.746 -7.832 -3.401 1.00 0.00 H new ATOM 0 HG1 THR A 6 115.600 -10.067 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 6 113.634 -8.701 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 6 113.919 -7.017 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 6 114.232 -8.350 -5.998 1.00 0.00 H new ATOM 69 N GLY A 7 115.666 -5.109 -6.045 1.00 0.00 N ATOM 70 CA GLY A 7 115.273 -3.681 -5.876 1.00 0.00 C ATOM 71 C GLY A 7 114.453 -3.227 -7.084 1.00 0.00 C ATOM 72 O GLY A 7 114.271 -3.967 -8.031 1.00 0.00 O ATOM 0 H GLY A 7 115.463 -5.510 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 114.691 -3.559 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.162 -3.059 -5.773 1.00 0.00 H new ATOM 75 N GLY A 8 113.960 -2.015 -7.060 1.00 0.00 N ATOM 76 CA GLY A 8 113.151 -1.512 -8.207 1.00 0.00 C ATOM 77 C GLY A 8 112.616 -0.113 -7.888 1.00 0.00 C ATOM 78 O GLY A 8 113.370 0.809 -7.643 1.00 0.00 O ATOM 0 H GLY A 8 114.084 -1.353 -6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.762 -1.481 -9.109 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.323 -2.192 -8.406 1.00 0.00 H new ATOM 81 N TYR A 9 111.319 0.049 -7.894 1.00 0.00 N ATOM 82 CA TYR A 9 110.722 1.386 -7.596 1.00 0.00 C ATOM 83 C TYR A 9 109.482 1.200 -6.716 1.00 0.00 C ATOM 84 O TYR A 9 108.908 0.124 -6.674 1.00 0.00 O ATOM 85 CB TYR A 9 110.339 1.952 -8.964 1.00 0.00 C ATOM 86 CG TYR A 9 110.134 3.445 -8.864 1.00 0.00 C ATOM 87 CD1 TYR A 9 111.232 4.305 -8.978 1.00 0.00 C ATOM 88 CD2 TYR A 9 108.850 3.970 -8.668 1.00 0.00 C ATOM 89 CE1 TYR A 9 111.049 5.690 -8.895 1.00 0.00 C ATOM 90 CE2 TYR A 9 108.667 5.357 -8.586 1.00 0.00 C ATOM 91 CZ TYR A 9 109.768 6.216 -8.700 1.00 0.00 C ATOM 92 OH TYR A 9 109.590 7.582 -8.622 1.00 0.00 O ATOM 0 H TYR A 9 110.644 -0.690 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 9 111.401 2.050 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 9 111.121 1.732 -9.690 1.00 0.00 H new ATOM 0 HB3 TYR A 9 109.427 1.474 -9.323 1.00 0.00 H new ATOM 0 HD1 TYR A 9 112.221 3.900 -9.130 1.00 0.00 H new ATOM 0 HD2 TYR A 9 108.002 3.307 -8.580 1.00 0.00 H new ATOM 0 HE1 TYR A 9 111.897 6.353 -8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 9 107.678 5.764 -8.435 1.00 0.00 H new ATOM 0 HH TYR A 9 108.870 7.853 -9.229 1.00 0.00 H new ATOM 101 N ALA A 10 109.062 2.221 -6.006 1.00 0.00 N ATOM 102 CA ALA A 10 107.861 2.058 -5.137 1.00 0.00 C ATOM 103 C ALA A 10 106.923 3.260 -5.261 1.00 0.00 C ATOM 104 O ALA A 10 107.270 4.369 -4.910 1.00 0.00 O ATOM 105 CB ALA A 10 108.414 1.960 -3.715 1.00 0.00 C ATOM 0 H ALA A 10 109.494 3.145 -5.992 1.00 0.00 H new ATOM 0 HA ALA A 10 107.277 1.182 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 10 107.590 1.838 -3.012 1.00 0.00 H new ATOM 0 HB2 ALA A 10 109.083 1.102 -3.643 1.00 0.00 H new ATOM 0 HB3 ALA A 10 108.964 2.870 -3.475 1.00 0.00 H new ATOM 111 N GLN A 11 105.725 3.035 -5.733 1.00 0.00 N ATOM 112 CA GLN A 11 104.738 4.147 -5.859 1.00 0.00 C ATOM 113 C GLN A 11 103.679 3.980 -4.770 1.00 0.00 C ATOM 114 O GLN A 11 103.332 2.870 -4.411 1.00 0.00 O ATOM 115 CB GLN A 11 104.119 3.981 -7.248 1.00 0.00 C ATOM 116 CG GLN A 11 105.204 4.148 -8.315 1.00 0.00 C ATOM 117 CD GLN A 11 104.594 3.938 -9.704 1.00 0.00 C ATOM 118 OE1 GLN A 11 103.531 3.363 -9.835 1.00 0.00 O ATOM 119 NE2 GLN A 11 105.228 4.382 -10.755 1.00 0.00 N ATOM 0 H GLN A 11 105.386 2.123 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 11 105.185 5.134 -5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.656 2.998 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 11 103.331 4.719 -7.397 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.645 5.142 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 11 106.007 3.431 -8.147 1.00 0.00 H new ATOM 0 HE21 GLN A 11 106.120 4.865 -10.646 1.00 0.00 H new ATOM 0 HE22 GLN A 11 104.831 4.246 -11.685 1.00 0.00 H new ATOM 126 N SER A 12 103.176 5.055 -4.219 1.00 0.00 N ATOM 127 CA SER A 12 102.163 4.904 -3.134 1.00 0.00 C ATOM 128 C SER A 12 101.175 6.070 -3.095 1.00 0.00 C ATOM 129 O SER A 12 101.486 7.184 -3.476 1.00 0.00 O ATOM 130 CB SER A 12 102.990 4.890 -1.852 1.00 0.00 C ATOM 131 OG SER A 12 103.453 6.207 -1.579 1.00 0.00 O ATOM 0 H SER A 12 103.418 6.014 -4.468 1.00 0.00 H new ATOM 0 HA SER A 12 101.560 4.008 -3.279 1.00 0.00 H new ATOM 0 HB2 SER A 12 102.388 4.524 -1.021 1.00 0.00 H new ATOM 0 HB3 SER A 12 103.835 4.209 -1.958 1.00 0.00 H new ATOM 0 HG SER A 12 103.845 6.237 -0.681 1.00 0.00 H new ATOM 136 N ASP A 13 99.996 5.816 -2.585 1.00 0.00 N ATOM 137 CA ASP A 13 98.977 6.894 -2.451 1.00 0.00 C ATOM 138 C ASP A 13 99.358 7.748 -1.244 1.00 0.00 C ATOM 139 O ASP A 13 100.033 7.279 -0.346 1.00 0.00 O ATOM 140 CB ASP A 13 97.647 6.172 -2.215 1.00 0.00 C ATOM 141 CG ASP A 13 96.488 7.174 -2.266 1.00 0.00 C ATOM 142 OD1 ASP A 13 96.702 8.285 -2.727 1.00 0.00 O ATOM 143 OD2 ASP A 13 95.401 6.811 -1.847 1.00 0.00 O ATOM 0 H ASP A 13 99.696 4.899 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 13 98.910 7.543 -3.324 1.00 0.00 H new ATOM 0 HB2 ASP A 13 97.504 5.400 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 13 97.663 5.671 -1.247 1.00 0.00 H new ATOM 147 N ALA A 14 98.960 8.992 -1.210 1.00 0.00 N ATOM 148 CA ALA A 14 99.346 9.849 -0.052 1.00 0.00 C ATOM 149 C ALA A 14 98.125 10.494 0.611 1.00 0.00 C ATOM 150 O ALA A 14 97.636 11.515 0.167 1.00 0.00 O ATOM 151 CB ALA A 14 100.254 10.919 -0.656 1.00 0.00 C ATOM 0 H ALA A 14 98.392 9.447 -1.924 1.00 0.00 H new ATOM 0 HA ALA A 14 99.835 9.270 0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 14 100.588 11.598 0.128 1.00 0.00 H new ATOM 0 HB2 ALA A 14 101.120 10.444 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 14 99.703 11.480 -1.411 1.00 0.00 H new ATOM 157 N GLN A 15 97.649 9.922 1.690 1.00 0.00 N ATOM 158 CA GLN A 15 96.482 10.526 2.399 1.00 0.00 C ATOM 159 C GLN A 15 96.978 11.683 3.268 1.00 0.00 C ATOM 160 O GLN A 15 97.754 11.491 4.190 1.00 0.00 O ATOM 161 CB GLN A 15 95.904 9.407 3.265 1.00 0.00 C ATOM 162 CG GLN A 15 95.389 8.279 2.366 1.00 0.00 C ATOM 163 CD GLN A 15 94.849 7.138 3.231 1.00 0.00 C ATOM 164 OE1 GLN A 15 95.169 7.039 4.399 1.00 0.00 O ATOM 165 NE2 GLN A 15 94.035 6.265 2.702 1.00 0.00 N ATOM 0 H GLN A 15 98.017 9.067 2.108 1.00 0.00 H new ATOM 0 HA GLN A 15 95.729 10.919 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 15 96.668 9.026 3.943 1.00 0.00 H new ATOM 0 HB3 GLN A 15 95.093 9.793 3.883 1.00 0.00 H new ATOM 0 HG2 GLN A 15 94.604 8.654 1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 15 96.193 7.915 1.726 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.766 6.347 1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 15 93.668 5.501 3.269 1.00 0.00 H new ATOM 172 N GLY A 16 96.556 12.882 2.962 1.00 0.00 N ATOM 173 CA GLY A 16 97.020 14.070 3.739 1.00 0.00 C ATOM 174 C GLY A 16 98.128 14.786 2.950 1.00 0.00 C ATOM 175 O GLY A 16 98.474 15.917 3.232 1.00 0.00 O ATOM 0 H GLY A 16 95.907 13.091 2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 16 96.187 14.750 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 16 97.394 13.759 4.714 1.00 0.00 H new ATOM 178 N GLN A 17 98.667 14.136 1.947 1.00 0.00 N ATOM 179 CA GLN A 17 99.729 14.767 1.111 1.00 0.00 C ATOM 180 C GLN A 17 99.208 14.954 -0.318 1.00 0.00 C ATOM 181 O GLN A 17 98.255 14.316 -0.723 1.00 0.00 O ATOM 182 CB GLN A 17 100.903 13.790 1.145 1.00 0.00 C ATOM 183 CG GLN A 17 101.452 13.700 2.570 1.00 0.00 C ATOM 184 CD GLN A 17 102.608 12.697 2.615 1.00 0.00 C ATOM 185 OE1 GLN A 17 102.738 11.861 1.743 1.00 0.00 O ATOM 186 NE2 GLN A 17 103.461 12.748 3.601 1.00 0.00 N ATOM 0 H GLN A 17 98.412 13.187 1.672 1.00 0.00 H new ATOM 0 HA GLN A 17 100.025 15.750 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 17 100.580 12.806 0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 17 101.686 14.122 0.463 1.00 0.00 H new ATOM 0 HG2 GLN A 17 101.795 14.680 2.900 1.00 0.00 H new ATOM 0 HG3 GLN A 17 100.663 13.391 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.353 13.450 4.333 1.00 0.00 H new ATOM 0 HE22 GLN A 17 104.236 12.086 3.639 1.00 0.00 H new ATOM 193 N MET A 18 99.813 15.826 -1.080 1.00 0.00 N ATOM 194 CA MET A 18 99.335 16.053 -2.478 1.00 0.00 C ATOM 195 C MET A 18 100.193 15.279 -3.486 1.00 0.00 C ATOM 196 O MET A 18 101.403 15.235 -3.385 1.00 0.00 O ATOM 197 CB MET A 18 99.476 17.559 -2.702 1.00 0.00 C ATOM 198 CG MET A 18 98.853 17.934 -4.048 1.00 0.00 C ATOM 199 SD MET A 18 99.185 19.678 -4.401 1.00 0.00 S ATOM 200 CE MET A 18 98.239 20.372 -3.024 1.00 0.00 C ATOM 0 H MET A 18 100.615 16.390 -0.798 1.00 0.00 H new ATOM 0 HA MET A 18 98.311 15.707 -2.617 1.00 0.00 H new ATOM 0 HB2 MET A 18 98.984 18.105 -1.897 1.00 0.00 H new ATOM 0 HB3 MET A 18 100.528 17.843 -2.684 1.00 0.00 H new ATOM 0 HG2 MET A 18 99.265 17.307 -4.839 1.00 0.00 H new ATOM 0 HG3 MET A 18 97.778 17.754 -4.026 1.00 0.00 H new ATOM 0 HE1 MET A 18 97.913 21.381 -3.278 1.00 0.00 H new ATOM 0 HE2 MET A 18 97.367 19.747 -2.830 1.00 0.00 H new ATOM 0 HE3 MET A 18 98.866 20.407 -2.133 1.00 0.00 H new ATOM 208 N ASN A 19 99.563 14.672 -4.465 1.00 0.00 N ATOM 209 CA ASN A 19 100.313 13.896 -5.508 1.00 0.00 C ATOM 210 C ASN A 19 101.020 12.685 -4.892 1.00 0.00 C ATOM 211 O ASN A 19 101.592 12.761 -3.822 1.00 0.00 O ATOM 212 CB ASN A 19 101.336 14.872 -6.105 1.00 0.00 C ATOM 213 CG ASN A 19 101.775 14.374 -7.484 1.00 0.00 C ATOM 214 OD1 ASN A 19 101.142 13.516 -8.067 1.00 0.00 O ATOM 215 ND2 ASN A 19 102.842 14.882 -8.037 1.00 0.00 N ATOM 0 H ASN A 19 98.550 14.681 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 19 99.637 13.506 -6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 19 100.899 15.867 -6.189 1.00 0.00 H new ATOM 0 HB3 ASN A 19 102.200 14.958 -5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 19 103.143 14.559 -8.956 1.00 0.00 H new ATOM 0 HD22 ASN A 19 103.375 15.602 -7.550 1.00 0.00 H new ATOM 221 N LYS A 20 100.980 11.566 -5.571 1.00 0.00 N ATOM 222 CA LYS A 20 101.645 10.333 -5.047 1.00 0.00 C ATOM 223 C LYS A 20 103.166 10.500 -5.081 1.00 0.00 C ATOM 224 O LYS A 20 103.676 11.511 -5.524 1.00 0.00 O ATOM 225 CB LYS A 20 101.209 9.212 -5.992 1.00 0.00 C ATOM 226 CG LYS A 20 99.693 9.027 -5.900 1.00 0.00 C ATOM 227 CD LYS A 20 99.271 7.832 -6.757 1.00 0.00 C ATOM 228 CE LYS A 20 97.745 7.731 -6.777 1.00 0.00 C ATOM 229 NZ LYS A 20 97.316 8.620 -7.893 1.00 0.00 N ATOM 0 H LYS A 20 100.513 11.453 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 20 101.369 10.124 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.495 9.453 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.716 8.283 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 20 99.398 8.866 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.185 9.929 -6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.652 7.947 -7.772 1.00 0.00 H new ATOM 0 HD3 LYS A 20 99.701 6.914 -6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 20 97.419 6.704 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 20 97.315 8.053 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 96.342 8.944 -7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 97.950 9.442 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.355 8.095 -8.790 1.00 0.00 H new ATOM 239 N MET A 21 103.895 9.519 -4.611 1.00 0.00 N ATOM 240 CA MET A 21 105.386 9.631 -4.612 1.00 0.00 C ATOM 241 C MET A 21 106.024 8.388 -5.250 1.00 0.00 C ATOM 242 O MET A 21 105.360 7.403 -5.511 1.00 0.00 O ATOM 243 CB MET A 21 105.773 9.743 -3.138 1.00 0.00 C ATOM 244 CG MET A 21 105.138 11.000 -2.537 1.00 0.00 C ATOM 245 SD MET A 21 105.741 11.231 -0.846 1.00 0.00 S ATOM 246 CE MET A 21 105.139 9.662 -0.175 1.00 0.00 C ATOM 0 H MET A 21 103.524 8.649 -4.228 1.00 0.00 H new ATOM 0 HA MET A 21 105.733 10.486 -5.192 1.00 0.00 H new ATOM 0 HB2 MET A 21 105.439 8.859 -2.595 1.00 0.00 H new ATOM 0 HB3 MET A 21 106.858 9.787 -3.038 1.00 0.00 H new ATOM 0 HG2 MET A 21 105.384 11.871 -3.144 1.00 0.00 H new ATOM 0 HG3 MET A 21 104.052 10.908 -2.538 1.00 0.00 H new ATOM 0 HE1 MET A 21 104.876 9.792 0.875 1.00 0.00 H new ATOM 0 HE2 MET A 21 104.259 9.342 -0.732 1.00 0.00 H new ATOM 0 HE3 MET A 21 105.919 8.906 -0.263 1.00 0.00 H new ATOM 254 N GLY A 22 107.309 8.435 -5.503 1.00 0.00 N ATOM 255 CA GLY A 22 107.996 7.261 -6.127 1.00 0.00 C ATOM 256 C GLY A 22 109.472 7.243 -5.720 1.00 0.00 C ATOM 257 O GLY A 22 110.161 8.240 -5.824 1.00 0.00 O ATOM 0 H GLY A 22 107.911 9.234 -5.305 1.00 0.00 H new ATOM 0 HA2 GLY A 22 107.512 6.336 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 22 107.910 7.313 -7.212 1.00 0.00 H new ATOM 260 N GLY A 23 109.958 6.126 -5.230 1.00 0.00 N ATOM 261 CA GLY A 23 111.384 6.069 -4.793 1.00 0.00 C ATOM 262 C GLY A 23 112.049 4.777 -5.276 1.00 0.00 C ATOM 263 O GLY A 23 111.423 3.929 -5.881 1.00 0.00 O ATOM 0 H GLY A 23 109.431 5.260 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 23 111.924 6.930 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 23 111.439 6.127 -3.706 1.00 0.00 H new ATOM 266 N PHE A 24 113.321 4.630 -5.004 1.00 0.00 N ATOM 267 CA PHE A 24 114.054 3.401 -5.430 1.00 0.00 C ATOM 268 C PHE A 24 114.370 2.536 -4.207 1.00 0.00 C ATOM 269 O PHE A 24 114.715 3.041 -3.156 1.00 0.00 O ATOM 270 CB PHE A 24 115.342 3.911 -6.077 1.00 0.00 C ATOM 271 CG PHE A 24 116.108 2.749 -6.662 1.00 0.00 C ATOM 272 CD1 PHE A 24 115.806 2.288 -7.949 1.00 0.00 C ATOM 273 CD2 PHE A 24 117.121 2.132 -5.918 1.00 0.00 C ATOM 274 CE1 PHE A 24 116.517 1.211 -8.492 1.00 0.00 C ATOM 275 CE2 PHE A 24 117.832 1.055 -6.461 1.00 0.00 C ATOM 276 CZ PHE A 24 117.530 0.595 -7.748 1.00 0.00 C ATOM 0 H PHE A 24 113.886 5.314 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 24 113.474 2.786 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 24 115.107 4.635 -6.857 1.00 0.00 H new ATOM 0 HB3 PHE A 24 115.953 4.427 -5.337 1.00 0.00 H new ATOM 0 HD1 PHE A 24 115.024 2.763 -8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 24 117.354 2.487 -4.925 1.00 0.00 H new ATOM 0 HE1 PHE A 24 116.284 0.856 -9.485 1.00 0.00 H new ATOM 0 HE2 PHE A 24 118.613 0.579 -5.887 1.00 0.00 H new ATOM 0 HZ PHE A 24 118.079 -0.235 -8.167 1.00 0.00 H new ATOM 285 N ASN A 25 114.244 1.241 -4.332 1.00 0.00 N ATOM 286 CA ASN A 25 114.525 0.351 -3.166 1.00 0.00 C ATOM 287 C ASN A 25 115.634 -0.658 -3.487 1.00 0.00 C ATOM 288 O ASN A 25 115.547 -1.410 -4.434 1.00 0.00 O ATOM 289 CB ASN A 25 113.206 -0.376 -2.904 1.00 0.00 C ATOM 290 CG ASN A 25 113.331 -1.219 -1.634 1.00 0.00 C ATOM 291 OD1 ASN A 25 113.311 -0.630 -0.469 1.00 0.00 O flip ATOM 292 ND2 ASN A 25 113.448 -2.427 -1.702 1.00 0.00 N flip ATOM 0 H ASN A 25 113.960 0.762 -5.187 1.00 0.00 H new ATOM 0 HA ASN A 25 114.871 0.918 -2.302 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.396 0.346 -2.796 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.955 -1.013 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 25 113.464 -2.887 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 25 113.530 -2.980 -0.849 1.00 0.00 H new ATOM 298 N LEU A 26 116.659 -0.697 -2.675 1.00 0.00 N ATOM 299 CA LEU A 26 117.767 -1.680 -2.883 1.00 0.00 C ATOM 300 C LEU A 26 117.840 -2.556 -1.634 1.00 0.00 C ATOM 301 O LEU A 26 117.749 -2.048 -0.533 1.00 0.00 O ATOM 302 CB LEU A 26 119.034 -0.837 -3.037 1.00 0.00 C ATOM 303 CG LEU A 26 120.217 -1.747 -3.372 1.00 0.00 C ATOM 304 CD1 LEU A 26 120.088 -2.243 -4.813 1.00 0.00 C ATOM 305 CD2 LEU A 26 121.523 -0.963 -3.219 1.00 0.00 C ATOM 0 H LEU A 26 116.778 -0.084 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 26 117.630 -2.324 -3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.897 -0.097 -3.825 1.00 0.00 H new ATOM 0 HB3 LEU A 26 119.233 -0.289 -2.116 1.00 0.00 H new ATOM 0 HG LEU A 26 120.222 -2.600 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.931 -2.891 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 119.158 -2.801 -4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 120.083 -1.390 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 26 122.366 -1.611 -3.458 1.00 0.00 H new ATOM 0 HD22 LEU A 26 121.517 -0.110 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 26 121.617 -0.609 -2.192 1.00 0.00 H new ATOM 316 N LYS A 27 117.965 -3.856 -1.759 1.00 0.00 N ATOM 317 CA LYS A 27 117.995 -4.703 -0.531 1.00 0.00 C ATOM 318 C LYS A 27 119.043 -5.818 -0.635 1.00 0.00 C ATOM 319 O LYS A 27 119.269 -6.382 -1.690 1.00 0.00 O ATOM 320 CB LYS A 27 116.592 -5.302 -0.467 1.00 0.00 C ATOM 321 CG LYS A 27 116.442 -6.134 0.803 1.00 0.00 C ATOM 322 CD LYS A 27 115.003 -6.635 0.909 1.00 0.00 C ATOM 323 CE LYS A 27 114.768 -7.742 -0.122 1.00 0.00 C ATOM 324 NZ LYS A 27 113.307 -7.700 -0.411 1.00 0.00 N ATOM 0 H LYS A 27 118.046 -4.358 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 27 118.262 -4.127 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 27 115.846 -4.507 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 27 116.412 -5.924 -1.344 1.00 0.00 H new ATOM 0 HG2 LYS A 27 117.133 -6.977 0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 27 116.696 -5.534 1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 27 114.812 -7.013 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 27 114.308 -5.813 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 27 115.354 -7.570 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 27 115.064 -8.715 0.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 112.966 -8.661 -0.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 112.801 -7.320 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 113.134 -7.090 -1.235 1.00 0.00 H new ATOM 334 N TYR A 28 119.665 -6.146 0.470 1.00 0.00 N ATOM 335 CA TYR A 28 120.687 -7.236 0.476 1.00 0.00 C ATOM 336 C TYR A 28 120.135 -8.440 1.247 1.00 0.00 C ATOM 337 O TYR A 28 119.391 -8.286 2.196 1.00 0.00 O ATOM 338 CB TYR A 28 121.903 -6.646 1.196 1.00 0.00 C ATOM 339 CG TYR A 28 122.406 -5.442 0.437 1.00 0.00 C ATOM 340 CD1 TYR A 28 123.172 -5.614 -0.722 1.00 0.00 C ATOM 341 CD2 TYR A 28 122.108 -4.152 0.893 1.00 0.00 C ATOM 342 CE1 TYR A 28 123.640 -4.497 -1.425 1.00 0.00 C ATOM 343 CE2 TYR A 28 122.576 -3.035 0.190 1.00 0.00 C ATOM 344 CZ TYR A 28 123.341 -3.208 -0.969 1.00 0.00 C ATOM 345 OH TYR A 28 123.802 -2.107 -1.662 1.00 0.00 O ATOM 0 H TYR A 28 119.507 -5.702 1.374 1.00 0.00 H new ATOM 0 HA TYR A 28 120.946 -7.576 -0.527 1.00 0.00 H new ATOM 0 HB2 TYR A 28 121.633 -6.361 2.213 1.00 0.00 H new ATOM 0 HB3 TYR A 28 122.691 -7.395 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 28 123.402 -6.609 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 28 121.517 -4.019 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 28 124.231 -4.630 -2.319 1.00 0.00 H new ATOM 0 HE2 TYR A 28 122.347 -2.040 0.542 1.00 0.00 H new ATOM 0 HH TYR A 28 123.504 -1.289 -1.212 1.00 0.00 H new ATOM 354 N ARG A 29 120.467 -9.637 0.833 1.00 0.00 N ATOM 355 CA ARG A 29 119.928 -10.845 1.533 1.00 0.00 C ATOM 356 C ARG A 29 121.042 -11.823 1.918 1.00 0.00 C ATOM 357 O ARG A 29 122.023 -11.975 1.218 1.00 0.00 O ATOM 358 CB ARG A 29 119.004 -11.495 0.508 1.00 0.00 C ATOM 359 CG ARG A 29 118.283 -12.687 1.144 1.00 0.00 C ATOM 360 CD ARG A 29 117.469 -13.426 0.077 1.00 0.00 C ATOM 361 NE ARG A 29 116.506 -12.418 -0.449 1.00 0.00 N ATOM 362 CZ ARG A 29 115.222 -12.618 -0.329 1.00 0.00 C ATOM 363 NH1 ARG A 29 114.721 -12.965 0.825 1.00 0.00 N ATOM 364 NH2 ARG A 29 114.439 -12.470 -1.362 1.00 0.00 N ATOM 0 H ARG A 29 121.085 -9.831 0.045 1.00 0.00 H new ATOM 0 HA ARG A 29 119.424 -10.576 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 29 118.276 -10.768 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 29 119.580 -11.825 -0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 29 119.008 -13.364 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 29 117.626 -12.343 1.943 1.00 0.00 H new ATOM 0 HD2 ARG A 29 118.113 -13.806 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 29 116.948 -14.283 0.503 1.00 0.00 H new ATOM 0 HE ARG A 29 116.850 -11.572 -0.903 1.00 0.00 H new ATOM 0 HH11 ARG A 29 115.333 -13.080 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 29 113.717 -13.121 0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 29 114.830 -12.198 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 29 113.435 -12.626 -1.268 1.00 0.00 H new ATOM 375 N TYR A 30 120.874 -12.501 3.023 1.00 0.00 N ATOM 376 CA TYR A 30 121.893 -13.498 3.466 1.00 0.00 C ATOM 377 C TYR A 30 121.185 -14.771 3.948 1.00 0.00 C ATOM 378 O TYR A 30 120.228 -14.706 4.695 1.00 0.00 O ATOM 379 CB TYR A 30 122.638 -12.827 4.619 1.00 0.00 C ATOM 380 CG TYR A 30 123.779 -13.711 5.061 1.00 0.00 C ATOM 381 CD1 TYR A 30 125.012 -13.645 4.401 1.00 0.00 C ATOM 382 CD2 TYR A 30 123.604 -14.600 6.128 1.00 0.00 C ATOM 383 CE1 TYR A 30 126.070 -14.466 4.809 1.00 0.00 C ATOM 384 CE2 TYR A 30 124.661 -15.421 6.536 1.00 0.00 C ATOM 385 CZ TYR A 30 125.894 -15.355 5.876 1.00 0.00 C ATOM 386 OH TYR A 30 126.937 -16.165 6.278 1.00 0.00 O ATOM 0 H TYR A 30 120.069 -12.406 3.642 1.00 0.00 H new ATOM 0 HA TYR A 30 122.574 -13.786 2.665 1.00 0.00 H new ATOM 0 HB2 TYR A 30 123.017 -11.855 4.304 1.00 0.00 H new ATOM 0 HB3 TYR A 30 121.957 -12.649 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 30 125.147 -12.960 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 30 122.653 -14.652 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 30 127.022 -14.414 4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 30 124.526 -16.106 7.360 1.00 0.00 H new ATOM 0 HH TYR A 30 126.648 -16.721 7.032 1.00 0.00 H new ATOM 395 N GLU A 31 121.643 -15.926 3.532 1.00 0.00 N ATOM 396 CA GLU A 31 120.988 -17.194 3.978 1.00 0.00 C ATOM 397 C GLU A 31 122.046 -18.268 4.245 1.00 0.00 C ATOM 398 O GLU A 31 123.121 -18.242 3.677 1.00 0.00 O ATOM 399 CB GLU A 31 120.087 -17.608 2.813 1.00 0.00 C ATOM 400 CG GLU A 31 119.032 -16.525 2.570 1.00 0.00 C ATOM 401 CD GLU A 31 118.069 -16.971 1.463 1.00 0.00 C ATOM 402 OE1 GLU A 31 118.377 -17.934 0.779 1.00 0.00 O ATOM 403 OE2 GLU A 31 117.035 -16.339 1.320 1.00 0.00 O ATOM 0 H GLU A 31 122.439 -16.045 2.905 1.00 0.00 H new ATOM 0 HA GLU A 31 120.424 -17.065 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 31 120.684 -17.757 1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 31 119.602 -18.559 3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 31 118.479 -16.332 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.517 -15.590 2.287 1.00 0.00 H new ATOM 408 N GLU A 32 121.751 -19.214 5.100 1.00 0.00 N ATOM 409 CA GLU A 32 122.743 -20.289 5.393 1.00 0.00 C ATOM 410 C GLU A 32 122.248 -21.625 4.833 1.00 0.00 C ATOM 411 O GLU A 32 121.093 -21.979 4.973 1.00 0.00 O ATOM 412 CB GLU A 32 122.831 -20.346 6.919 1.00 0.00 C ATOM 413 CG GLU A 32 123.323 -18.998 7.456 1.00 0.00 C ATOM 414 CD GLU A 32 123.490 -19.070 8.979 1.00 0.00 C ATOM 415 OE1 GLU A 32 123.028 -20.034 9.569 1.00 0.00 O ATOM 416 OE2 GLU A 32 124.081 -18.156 9.531 1.00 0.00 O ATOM 0 H GLU A 32 120.868 -19.287 5.606 1.00 0.00 H new ATOM 0 HA GLU A 32 123.714 -20.091 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 32 121.854 -20.582 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 32 123.511 -21.141 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 32 124.273 -18.736 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 32 122.613 -18.213 7.196 1.00 0.00 H new ATOM 455 N PRO A 36 116.637 -22.833 6.081 1.00 0.00 N ATOM 456 CA PRO A 36 116.003 -21.830 5.192 1.00 0.00 C ATOM 457 C PRO A 36 115.831 -20.484 5.913 1.00 0.00 C ATOM 458 O PRO A 36 114.786 -19.866 5.841 1.00 0.00 O ATOM 459 CB PRO A 36 114.644 -22.445 4.880 1.00 0.00 C ATOM 460 CG PRO A 36 114.339 -23.360 6.029 1.00 0.00 C ATOM 461 CD PRO A 36 115.639 -23.702 6.718 1.00 0.00 C ATOM 0 HA PRO A 36 116.596 -21.620 4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 36 113.879 -21.675 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 36 114.669 -22.994 3.939 1.00 0.00 H new ATOM 0 HG2 PRO A 36 113.654 -22.878 6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 36 113.847 -24.266 5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 36 115.580 -23.517 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 115.891 -24.755 6.589 1.00 0.00 H new ATOM 466 N LEU A 37 116.843 -20.028 6.605 1.00 0.00 N ATOM 467 CA LEU A 37 116.731 -18.725 7.326 1.00 0.00 C ATOM 468 C LEU A 37 117.226 -17.587 6.432 1.00 0.00 C ATOM 469 O LEU A 37 118.333 -17.618 5.930 1.00 0.00 O ATOM 470 CB LEU A 37 117.630 -18.873 8.555 1.00 0.00 C ATOM 471 CG LEU A 37 117.501 -17.628 9.434 1.00 0.00 C ATOM 472 CD1 LEU A 37 116.152 -17.649 10.155 1.00 0.00 C ATOM 473 CD2 LEU A 37 118.630 -17.615 10.466 1.00 0.00 C ATOM 0 H LEU A 37 117.741 -20.501 6.702 1.00 0.00 H new ATOM 0 HA LEU A 37 115.703 -18.490 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 117.348 -19.761 9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 37 118.667 -19.008 8.246 1.00 0.00 H new ATOM 0 HG LEU A 37 117.566 -16.735 8.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 116.060 -16.762 10.781 1.00 0.00 H new ATOM 0 HD12 LEU A 37 115.347 -17.659 9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 37 116.086 -18.541 10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 37 118.539 -16.728 11.093 1.00 0.00 H new ATOM 0 HD22 LEU A 37 118.565 -18.508 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 37 119.592 -17.600 9.953 1.00 0.00 H new ATOM 484 N GLY A 38 116.410 -16.585 6.227 1.00 0.00 N ATOM 485 CA GLY A 38 116.835 -15.449 5.360 1.00 0.00 C ATOM 486 C GLY A 38 116.504 -14.111 6.026 1.00 0.00 C ATOM 487 O GLY A 38 115.414 -13.900 6.519 1.00 0.00 O ATOM 0 H GLY A 38 115.473 -16.506 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 38 117.906 -15.511 5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 38 116.334 -15.514 4.394 1.00 0.00 H new ATOM 490 N VAL A 39 117.438 -13.198 6.011 1.00 0.00 N ATOM 491 CA VAL A 39 117.201 -11.847 6.602 1.00 0.00 C ATOM 492 C VAL A 39 117.585 -10.802 5.553 1.00 0.00 C ATOM 493 O VAL A 39 118.630 -10.903 4.939 1.00 0.00 O ATOM 494 CB VAL A 39 118.127 -11.764 7.818 1.00 0.00 C ATOM 495 CG1 VAL A 39 117.931 -10.418 8.517 1.00 0.00 C ATOM 496 CG2 VAL A 39 117.793 -12.895 8.794 1.00 0.00 C ATOM 0 H VAL A 39 118.366 -13.332 5.610 1.00 0.00 H new ATOM 0 HA VAL A 39 116.165 -11.676 6.895 1.00 0.00 H new ATOM 0 HB VAL A 39 119.163 -11.859 7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 118.590 -10.358 9.383 1.00 0.00 H new ATOM 0 HG12 VAL A 39 118.168 -9.610 7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 39 116.895 -10.325 8.843 1.00 0.00 H new ATOM 0 HG21 VAL A 39 118.453 -12.835 9.660 1.00 0.00 H new ATOM 0 HG22 VAL A 39 116.757 -12.800 9.120 1.00 0.00 H new ATOM 0 HG23 VAL A 39 117.931 -13.856 8.298 1.00 0.00 H new ATOM 506 N ILE A 40 116.753 -9.822 5.307 1.00 0.00 N ATOM 507 CA ILE A 40 117.096 -8.816 4.255 1.00 0.00 C ATOM 508 C ILE A 40 117.015 -7.378 4.785 1.00 0.00 C ATOM 509 O ILE A 40 116.179 -7.049 5.602 1.00 0.00 O ATOM 510 CB ILE A 40 116.045 -9.040 3.157 1.00 0.00 C ATOM 511 CG1 ILE A 40 114.639 -8.798 3.735 1.00 0.00 C ATOM 512 CG2 ILE A 40 116.147 -10.474 2.621 1.00 0.00 C ATOM 513 CD1 ILE A 40 113.579 -8.981 2.644 1.00 0.00 C ATOM 0 H ILE A 40 115.862 -9.675 5.782 1.00 0.00 H new ATOM 0 HA ILE A 40 118.119 -8.941 3.901 1.00 0.00 H new ATOM 0 HB ILE A 40 116.225 -8.343 2.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 114.451 -9.491 4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 40 114.576 -7.791 4.148 1.00 0.00 H new ATOM 0 HG21 ILE A 40 115.399 -10.626 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 40 117.141 -10.637 2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 40 115.973 -11.179 3.434 1.00 0.00 H new ATOM 0 HD11 ILE A 40 112.589 -8.807 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 40 113.760 -8.270 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 40 113.633 -9.996 2.251 1.00 0.00 H new ATOM 524 N GLY A 41 117.879 -6.524 4.298 1.00 0.00 N ATOM 525 CA GLY A 41 117.870 -5.093 4.727 1.00 0.00 C ATOM 526 C GLY A 41 117.671 -4.221 3.483 1.00 0.00 C ATOM 527 O GLY A 41 118.451 -4.278 2.552 1.00 0.00 O ATOM 0 H GLY A 41 118.598 -6.760 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 41 117.070 -4.917 5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 118.807 -4.839 5.223 1.00 0.00 H new ATOM 530 N SER A 42 116.622 -3.438 3.442 1.00 0.00 N ATOM 531 CA SER A 42 116.368 -2.594 2.233 1.00 0.00 C ATOM 532 C SER A 42 116.219 -1.114 2.598 1.00 0.00 C ATOM 533 O SER A 42 115.662 -0.768 3.622 1.00 0.00 O ATOM 534 CB SER A 42 115.057 -3.125 1.656 1.00 0.00 C ATOM 535 OG SER A 42 114.841 -2.549 0.375 1.00 0.00 O ATOM 0 H SER A 42 115.933 -3.346 4.189 1.00 0.00 H new ATOM 0 HA SER A 42 117.197 -2.652 1.528 1.00 0.00 H new ATOM 0 HB2 SER A 42 115.094 -4.212 1.577 1.00 0.00 H new ATOM 0 HB3 SER A 42 114.228 -2.882 2.321 1.00 0.00 H new ATOM 0 HG SER A 42 114.401 -1.679 0.477 1.00 0.00 H new ATOM 540 N PHE A 43 116.692 -0.239 1.745 1.00 0.00 N ATOM 541 CA PHE A 43 116.560 1.224 2.010 1.00 0.00 C ATOM 542 C PHE A 43 115.643 1.830 0.946 1.00 0.00 C ATOM 543 O PHE A 43 115.658 1.410 -0.196 1.00 0.00 O ATOM 544 CB PHE A 43 117.977 1.789 1.884 1.00 0.00 C ATOM 545 CG PHE A 43 118.877 1.146 2.913 1.00 0.00 C ATOM 546 CD1 PHE A 43 118.935 1.662 4.213 1.00 0.00 C ATOM 547 CD2 PHE A 43 119.655 0.036 2.564 1.00 0.00 C ATOM 548 CE1 PHE A 43 119.772 1.066 5.165 1.00 0.00 C ATOM 549 CE2 PHE A 43 120.492 -0.559 3.516 1.00 0.00 C ATOM 550 CZ PHE A 43 120.550 -0.044 4.816 1.00 0.00 C ATOM 0 H PHE A 43 117.165 -0.478 0.874 1.00 0.00 H new ATOM 0 HA PHE A 43 116.135 1.444 2.989 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.364 1.604 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 43 117.962 2.870 2.025 1.00 0.00 H new ATOM 0 HD1 PHE A 43 118.335 2.519 4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.610 -0.361 1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.817 1.463 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 43 121.093 -1.415 3.247 1.00 0.00 H new ATOM 0 HZ PHE A 43 121.195 -0.503 5.550 1.00 0.00 H new ATOM 559 N THR A 44 114.838 2.802 1.295 1.00 0.00 N ATOM 560 CA THR A 44 113.927 3.401 0.275 1.00 0.00 C ATOM 561 C THR A 44 114.004 4.927 0.305 1.00 0.00 C ATOM 562 O THR A 44 114.025 5.533 1.359 1.00 0.00 O ATOM 563 CB THR A 44 112.529 2.928 0.673 1.00 0.00 C ATOM 564 OG1 THR A 44 112.517 1.510 0.757 1.00 0.00 O ATOM 565 CG2 THR A 44 111.513 3.389 -0.373 1.00 0.00 C ATOM 0 H THR A 44 114.773 3.202 2.231 1.00 0.00 H new ATOM 0 HA THR A 44 114.194 3.098 -0.738 1.00 0.00 H new ATOM 0 HB THR A 44 112.264 3.352 1.642 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.989 1.133 -0.014 1.00 0.00 H new ATOM 0 HG21 THR A 44 110.517 3.050 -0.087 1.00 0.00 H new ATOM 0 HG22 THR A 44 111.523 4.477 -0.435 1.00 0.00 H new ATOM 0 HG23 THR A 44 111.774 2.968 -1.344 1.00 0.00 H new ATOM 573 N TYR A 45 114.016 5.556 -0.843 1.00 0.00 N ATOM 574 CA TYR A 45 114.056 7.043 -0.888 1.00 0.00 C ATOM 575 C TYR A 45 113.002 7.511 -1.894 1.00 0.00 C ATOM 576 O TYR A 45 113.141 7.304 -3.084 1.00 0.00 O ATOM 577 CB TYR A 45 115.469 7.381 -1.369 1.00 0.00 C ATOM 578 CG TYR A 45 115.707 8.867 -1.254 1.00 0.00 C ATOM 579 CD1 TYR A 45 116.052 9.425 -0.018 1.00 0.00 C ATOM 580 CD2 TYR A 45 115.594 9.686 -2.384 1.00 0.00 C ATOM 581 CE1 TYR A 45 116.283 10.801 0.090 1.00 0.00 C ATOM 582 CE2 TYR A 45 115.823 11.062 -2.277 1.00 0.00 C ATOM 583 CZ TYR A 45 116.169 11.620 -1.039 1.00 0.00 C ATOM 584 OH TYR A 45 116.398 12.977 -0.931 1.00 0.00 O ATOM 0 H TYR A 45 114.000 5.098 -1.754 1.00 0.00 H new ATOM 0 HA TYR A 45 113.845 7.523 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 45 116.205 6.839 -0.775 1.00 0.00 H new ATOM 0 HB3 TYR A 45 115.597 7.062 -2.403 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.140 8.793 0.853 1.00 0.00 H new ATOM 0 HD2 TYR A 45 115.330 9.255 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 45 116.549 11.231 1.044 1.00 0.00 H new ATOM 0 HE2 TYR A 45 115.733 11.694 -3.148 1.00 0.00 H new ATOM 0 HH TYR A 45 116.081 13.428 -1.741 1.00 0.00 H new ATOM 593 N THR A 46 111.939 8.110 -1.427 1.00 0.00 N ATOM 594 CA THR A 46 110.857 8.552 -2.359 1.00 0.00 C ATOM 595 C THR A 46 110.593 10.054 -2.226 1.00 0.00 C ATOM 596 O THR A 46 110.654 10.612 -1.148 1.00 0.00 O ATOM 597 CB THR A 46 109.630 7.750 -1.918 1.00 0.00 C ATOM 598 OG1 THR A 46 109.965 6.371 -1.867 1.00 0.00 O ATOM 599 CG2 THR A 46 108.484 7.957 -2.909 1.00 0.00 C ATOM 0 H THR A 46 111.772 8.313 -0.441 1.00 0.00 H new ATOM 0 HA THR A 46 111.119 8.383 -3.404 1.00 0.00 H new ATOM 0 HB THR A 46 109.315 8.091 -0.932 1.00 0.00 H new ATOM 0 HG1 THR A 46 109.182 5.854 -1.583 1.00 0.00 H new ATOM 0 HG21 THR A 46 107.616 7.382 -2.586 1.00 0.00 H new ATOM 0 HG22 THR A 46 108.224 9.015 -2.949 1.00 0.00 H new ATOM 0 HG23 THR A 46 108.794 7.622 -3.899 1.00 0.00 H new ATOM 607 N GLU A 47 110.293 10.710 -3.317 1.00 0.00 N ATOM 608 CA GLU A 47 110.014 12.176 -3.260 1.00 0.00 C ATOM 609 C GLU A 47 108.814 12.523 -4.143 1.00 0.00 C ATOM 610 O GLU A 47 108.394 11.739 -4.973 1.00 0.00 O ATOM 611 CB GLU A 47 111.278 12.849 -3.795 1.00 0.00 C ATOM 612 CG GLU A 47 112.451 12.565 -2.856 1.00 0.00 C ATOM 613 CD GLU A 47 113.694 13.323 -3.336 1.00 0.00 C ATOM 614 OE1 GLU A 47 113.723 13.714 -4.492 1.00 0.00 O ATOM 615 OE2 GLU A 47 114.595 13.506 -2.535 1.00 0.00 O ATOM 0 H GLU A 47 110.229 10.293 -4.246 1.00 0.00 H new ATOM 0 HA GLU A 47 109.774 12.505 -2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 47 111.503 12.479 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 111.121 13.924 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 47 112.198 12.869 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 47 112.655 11.495 -2.827 1.00 0.00 H new ATOM 620 N LYS A 48 108.267 13.698 -3.974 1.00 0.00 N ATOM 621 CA LYS A 48 107.100 14.111 -4.808 1.00 0.00 C ATOM 622 C LYS A 48 107.557 14.362 -6.248 1.00 0.00 C ATOM 623 O LYS A 48 108.657 14.823 -6.484 1.00 0.00 O ATOM 624 CB LYS A 48 106.591 15.405 -4.171 1.00 0.00 C ATOM 625 CG LYS A 48 105.262 15.804 -4.814 1.00 0.00 C ATOM 626 CD LYS A 48 104.780 17.126 -4.213 1.00 0.00 C ATOM 627 CE LYS A 48 103.370 17.438 -4.721 1.00 0.00 C ATOM 628 NZ LYS A 48 103.401 18.884 -5.078 1.00 0.00 N ATOM 0 H LYS A 48 108.579 14.391 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 48 106.322 13.348 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.461 15.267 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 48 107.324 16.201 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.384 15.906 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 48 104.518 15.025 -4.649 1.00 0.00 H new ATOM 0 HD2 LYS A 48 104.780 17.064 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 48 105.462 17.931 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 48 103.117 16.823 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 48 102.621 17.236 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 102.468 19.173 -5.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 103.638 19.445 -4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 104.118 19.045 -5.814 1.00 0.00 H new ATOM 794 N GLN A 61 111.787 14.941 1.709 1.00 0.00 N ATOM 795 CA GLN A 61 112.382 13.641 1.271 1.00 0.00 C ATOM 796 C GLN A 61 111.794 12.491 2.096 1.00 0.00 C ATOM 797 O GLN A 61 111.359 12.685 3.215 1.00 0.00 O ATOM 798 CB GLN A 61 113.881 13.781 1.542 1.00 0.00 C ATOM 799 CG GLN A 61 114.452 14.913 0.685 1.00 0.00 C ATOM 800 CD GLN A 61 115.942 15.089 0.990 1.00 0.00 C ATOM 801 OE1 GLN A 61 116.427 14.631 2.006 1.00 0.00 O ATOM 802 NE2 GLN A 61 116.695 15.739 0.145 1.00 0.00 N ATOM 0 HA GLN A 61 112.176 13.422 0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 61 114.052 13.988 2.598 1.00 0.00 H new ATOM 0 HB3 GLN A 61 114.391 12.845 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 61 114.311 14.688 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 61 113.917 15.841 0.888 1.00 0.00 H new ATOM 0 HE21 GLN A 61 116.289 16.124 -0.708 1.00 0.00 H new ATOM 0 HE22 GLN A 61 117.689 15.862 0.338 1.00 0.00 H new ATOM 809 N TYR A 62 111.776 11.296 1.557 1.00 0.00 N ATOM 810 CA TYR A 62 111.211 10.146 2.326 1.00 0.00 C ATOM 811 C TYR A 62 112.264 9.050 2.529 1.00 0.00 C ATOM 812 O TYR A 62 112.532 8.257 1.650 1.00 0.00 O ATOM 813 CB TYR A 62 110.056 9.622 1.472 1.00 0.00 C ATOM 814 CG TYR A 62 109.325 8.540 2.229 1.00 0.00 C ATOM 815 CD1 TYR A 62 108.326 8.882 3.147 1.00 0.00 C ATOM 816 CD2 TYR A 62 109.648 7.194 2.014 1.00 0.00 C ATOM 817 CE1 TYR A 62 107.649 7.879 3.851 1.00 0.00 C ATOM 818 CE2 TYR A 62 108.971 6.191 2.718 1.00 0.00 C ATOM 819 CZ TYR A 62 107.972 6.533 3.636 1.00 0.00 C ATOM 820 OH TYR A 62 107.305 5.545 4.331 1.00 0.00 O ATOM 0 H TYR A 62 112.125 11.069 0.626 1.00 0.00 H new ATOM 0 HA TYR A 62 110.884 10.450 3.320 1.00 0.00 H new ATOM 0 HB2 TYR A 62 109.373 10.435 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 62 110.435 9.229 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 62 108.077 9.920 3.313 1.00 0.00 H new ATOM 0 HD2 TYR A 62 110.419 6.930 1.305 1.00 0.00 H new ATOM 0 HE1 TYR A 62 106.878 8.143 4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.220 5.153 2.552 1.00 0.00 H new ATOM 0 HH TYR A 62 107.649 4.667 4.063 1.00 0.00 H new ATOM 829 N TYR A 63 112.847 9.005 3.696 1.00 0.00 N ATOM 830 CA TYR A 63 113.877 7.962 3.984 1.00 0.00 C ATOM 831 C TYR A 63 113.237 6.878 4.843 1.00 0.00 C ATOM 832 O TYR A 63 112.421 7.172 5.694 1.00 0.00 O ATOM 833 CB TYR A 63 114.988 8.685 4.747 1.00 0.00 C ATOM 834 CG TYR A 63 116.170 7.760 4.911 1.00 0.00 C ATOM 835 CD1 TYR A 63 117.118 7.650 3.886 1.00 0.00 C ATOM 836 CD2 TYR A 63 116.319 7.013 6.085 1.00 0.00 C ATOM 837 CE1 TYR A 63 118.215 6.792 4.036 1.00 0.00 C ATOM 838 CE2 TYR A 63 117.415 6.155 6.235 1.00 0.00 C ATOM 839 CZ TYR A 63 118.363 6.045 5.211 1.00 0.00 C ATOM 840 OH TYR A 63 119.444 5.199 5.358 1.00 0.00 O ATOM 0 H TYR A 63 112.655 9.647 4.465 1.00 0.00 H new ATOM 0 HA TYR A 63 114.272 7.487 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 63 115.288 9.584 4.209 1.00 0.00 H new ATOM 0 HB3 TYR A 63 114.625 9.005 5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.003 8.227 2.980 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.588 7.098 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.946 6.707 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 63 117.529 5.578 7.141 1.00 0.00 H new ATOM 0 HH TYR A 63 119.397 4.757 6.231 1.00 0.00 H new ATOM 849 N GLY A 64 113.572 5.627 4.638 1.00 0.00 N ATOM 850 CA GLY A 64 112.934 4.574 5.469 1.00 0.00 C ATOM 851 C GLY A 64 113.841 3.353 5.604 1.00 0.00 C ATOM 852 O GLY A 64 114.709 3.099 4.790 1.00 0.00 O ATOM 0 H GLY A 64 114.245 5.300 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 64 112.708 4.974 6.458 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.985 4.278 5.021 1.00 0.00 H new ATOM 855 N ILE A 65 113.605 2.586 6.629 1.00 0.00 N ATOM 856 CA ILE A 65 114.400 1.348 6.851 1.00 0.00 C ATOM 857 C ILE A 65 113.451 0.153 6.889 1.00 0.00 C ATOM 858 O ILE A 65 112.395 0.220 7.483 1.00 0.00 O ATOM 859 CB ILE A 65 115.109 1.548 8.197 1.00 0.00 C ATOM 860 CG1 ILE A 65 114.076 1.727 9.317 1.00 0.00 C ATOM 861 CG2 ILE A 65 115.999 2.791 8.124 1.00 0.00 C ATOM 862 CD1 ILE A 65 114.794 1.787 10.668 1.00 0.00 C ATOM 0 H ILE A 65 112.887 2.766 7.331 1.00 0.00 H new ATOM 0 HA ILE A 65 115.128 1.160 6.062 1.00 0.00 H new ATOM 0 HB ILE A 65 115.718 0.670 8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 65 113.504 2.641 9.156 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.366 0.900 9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 65 116.503 2.934 9.080 1.00 0.00 H new ATOM 0 HG22 ILE A 65 116.742 2.661 7.338 1.00 0.00 H new ATOM 0 HG23 ILE A 65 115.386 3.665 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 65 114.061 1.914 11.464 1.00 0.00 H new ATOM 0 HD12 ILE A 65 115.346 0.861 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 65 115.487 2.629 10.675 1.00 0.00 H new ATOM 873 N THR A 66 113.805 -0.935 6.255 1.00 0.00 N ATOM 874 CA THR A 66 112.901 -2.120 6.270 1.00 0.00 C ATOM 875 C THR A 66 113.701 -3.418 6.165 1.00 0.00 C ATOM 876 O THR A 66 114.649 -3.517 5.410 1.00 0.00 O ATOM 877 CB THR A 66 112.002 -1.950 5.043 1.00 0.00 C ATOM 878 OG1 THR A 66 112.807 -1.850 3.877 1.00 0.00 O ATOM 879 CG2 THR A 66 111.156 -0.685 5.193 1.00 0.00 C ATOM 0 H THR A 66 114.673 -1.053 5.732 1.00 0.00 H new ATOM 0 HA THR A 66 112.330 -2.180 7.197 1.00 0.00 H new ATOM 0 HB THR A 66 111.342 -2.813 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 66 112.232 -1.743 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 66 110.518 -0.568 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 66 110.536 -0.766 6.086 1.00 0.00 H new ATOM 0 HG23 THR A 66 111.811 0.182 5.283 1.00 0.00 H new ATOM 887 N ALA A 67 113.312 -4.417 6.907 1.00 0.00 N ATOM 888 CA ALA A 67 114.018 -5.726 6.857 1.00 0.00 C ATOM 889 C ALA A 67 113.090 -6.806 7.416 1.00 0.00 C ATOM 890 O ALA A 67 112.201 -6.515 8.194 1.00 0.00 O ATOM 891 CB ALA A 67 115.252 -5.555 7.744 1.00 0.00 C ATOM 0 H ALA A 67 112.524 -4.381 7.554 1.00 0.00 H new ATOM 0 HA ALA A 67 114.301 -6.021 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 67 115.823 -6.483 7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.874 -4.751 7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 114.939 -5.309 8.759 1.00 0.00 H new ATOM 897 N GLY A 68 113.273 -8.042 7.033 1.00 0.00 N ATOM 898 CA GLY A 68 112.377 -9.112 7.561 1.00 0.00 C ATOM 899 C GLY A 68 112.943 -10.496 7.227 1.00 0.00 C ATOM 900 O GLY A 68 113.937 -10.609 6.539 1.00 0.00 O ATOM 0 H GLY A 68 113.996 -8.355 6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 68 112.271 -9.006 8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 68 111.381 -9.006 7.131 1.00 0.00 H new ATOM 903 N PRO A 69 112.281 -11.512 7.731 1.00 0.00 N ATOM 904 CA PRO A 69 112.722 -12.907 7.482 1.00 0.00 C ATOM 905 C PRO A 69 112.459 -13.302 6.025 1.00 0.00 C ATOM 906 O PRO A 69 111.729 -12.639 5.313 1.00 0.00 O ATOM 907 CB PRO A 69 111.862 -13.735 8.434 1.00 0.00 C ATOM 908 CG PRO A 69 110.644 -12.903 8.675 1.00 0.00 C ATOM 909 CD PRO A 69 111.072 -11.463 8.570 1.00 0.00 C ATOM 0 HA PRO A 69 113.790 -13.052 7.647 1.00 0.00 H new ATOM 0 HB2 PRO A 69 111.602 -14.698 7.995 1.00 0.00 H new ATOM 0 HB3 PRO A 69 112.390 -13.941 9.365 1.00 0.00 H new ATOM 0 HG2 PRO A 69 109.870 -13.130 7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 69 110.223 -13.110 9.659 1.00 0.00 H new ATOM 0 HD2 PRO A 69 110.295 -10.848 8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 69 111.283 -11.037 9.551 1.00 0.00 H new ATOM 914 N ALA A 70 113.046 -14.382 5.583 1.00 0.00 N ATOM 915 CA ALA A 70 112.832 -14.834 4.177 1.00 0.00 C ATOM 916 C ALA A 70 112.863 -16.362 4.106 1.00 0.00 C ATOM 917 O ALA A 70 113.654 -17.006 4.774 1.00 0.00 O ATOM 918 CB ALA A 70 113.995 -14.237 3.386 1.00 0.00 C ATOM 0 H ALA A 70 113.666 -14.973 6.137 1.00 0.00 H new ATOM 0 HA ALA A 70 111.867 -14.516 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 70 113.909 -14.525 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 70 113.970 -13.150 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 70 114.937 -14.609 3.788 1.00 0.00 H new ATOM 924 N TYR A 71 112.004 -16.947 3.308 1.00 0.00 N ATOM 925 CA TYR A 71 111.976 -18.434 3.199 1.00 0.00 C ATOM 926 C TYR A 71 112.166 -18.855 1.740 1.00 0.00 C ATOM 927 O TYR A 71 111.701 -18.196 0.830 1.00 0.00 O ATOM 928 CB TYR A 71 110.597 -18.843 3.718 1.00 0.00 C ATOM 929 CG TYR A 71 110.525 -20.346 3.830 1.00 0.00 C ATOM 930 CD1 TYR A 71 111.150 -21.000 4.899 1.00 0.00 C ATOM 931 CD2 TYR A 71 109.839 -21.086 2.863 1.00 0.00 C ATOM 932 CE1 TYR A 71 111.086 -22.395 5.000 1.00 0.00 C ATOM 933 CE2 TYR A 71 109.775 -22.481 2.962 1.00 0.00 C ATOM 934 CZ TYR A 71 110.398 -23.135 4.031 1.00 0.00 C ATOM 935 OH TYR A 71 110.335 -24.510 4.130 1.00 0.00 O ATOM 0 H TYR A 71 111.322 -16.457 2.729 1.00 0.00 H new ATOM 0 HA TYR A 71 112.774 -18.912 3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 71 110.413 -18.386 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 71 109.821 -18.481 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 111.681 -20.428 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 71 109.358 -20.581 2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.567 -22.900 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 71 109.245 -23.052 2.214 1.00 0.00 H new ATOM 0 HH TYR A 71 109.819 -24.869 3.378 1.00 0.00 H new ATOM 944 N ARG A 72 112.859 -19.939 1.514 1.00 0.00 N ATOM 945 CA ARG A 72 113.095 -20.397 0.113 1.00 0.00 C ATOM 946 C ARG A 72 112.076 -21.466 -0.293 1.00 0.00 C ATOM 947 O ARG A 72 111.930 -22.481 0.359 1.00 0.00 O ATOM 948 CB ARG A 72 114.507 -20.982 0.126 1.00 0.00 C ATOM 949 CG ARG A 72 114.912 -21.373 -1.297 1.00 0.00 C ATOM 950 CD ARG A 72 116.303 -22.011 -1.274 1.00 0.00 C ATOM 951 NE ARG A 72 116.639 -22.248 -2.705 1.00 0.00 N ATOM 952 CZ ARG A 72 116.139 -23.278 -3.331 1.00 0.00 C ATOM 953 NH1 ARG A 72 116.269 -24.475 -2.827 1.00 0.00 N ATOM 954 NH2 ARG A 72 115.506 -23.111 -4.460 1.00 0.00 N ATOM 0 H ARG A 72 113.272 -20.527 2.238 1.00 0.00 H new ATOM 0 HA ARG A 72 112.989 -19.583 -0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 72 115.210 -20.253 0.528 1.00 0.00 H new ATOM 0 HB3 ARG A 72 114.544 -21.854 0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 72 114.187 -22.071 -1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 72 114.914 -20.493 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 72 117.032 -21.353 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 72 116.301 -22.943 -0.709 1.00 0.00 H new ATOM 0 HE ARG A 72 117.260 -21.605 -3.196 1.00 0.00 H new ATOM 0 HH11 ARG A 72 116.762 -24.606 -1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 72 115.878 -25.280 -3.317 1.00 0.00 H new ATOM 0 HH21 ARG A 72 115.402 -22.175 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 72 115.115 -23.916 -4.949 1.00 0.00 H new ATOM 1030 N ALA A 77 110.392 -19.431 -6.398 1.00 0.00 N ATOM 1031 CA ALA A 77 109.405 -18.807 -5.464 1.00 0.00 C ATOM 1032 C ALA A 77 110.049 -18.474 -4.113 1.00 0.00 C ATOM 1033 O ALA A 77 110.565 -19.336 -3.429 1.00 0.00 O ATOM 1034 CB ALA A 77 108.314 -19.864 -5.285 1.00 0.00 C ATOM 0 HA ALA A 77 109.018 -17.867 -5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 77 107.547 -19.484 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 77 107.866 -20.092 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 77 108.751 -20.770 -4.865 1.00 0.00 H new ATOM 1040 N SER A 78 110.002 -17.227 -3.723 1.00 0.00 N ATOM 1041 CA SER A 78 110.588 -16.820 -2.408 1.00 0.00 C ATOM 1042 C SER A 78 109.613 -15.891 -1.677 1.00 0.00 C ATOM 1043 O SER A 78 108.896 -15.131 -2.301 1.00 0.00 O ATOM 1044 CB SER A 78 111.878 -16.080 -2.760 1.00 0.00 C ATOM 1045 OG SER A 78 112.731 -16.948 -3.495 1.00 0.00 O ATOM 0 H SER A 78 109.581 -16.469 -4.260 1.00 0.00 H new ATOM 0 HA SER A 78 110.779 -17.669 -1.752 1.00 0.00 H new ATOM 0 HB2 SER A 78 111.652 -15.190 -3.347 1.00 0.00 H new ATOM 0 HB3 SER A 78 112.378 -15.744 -1.851 1.00 0.00 H new ATOM 0 HG SER A 78 113.559 -16.476 -3.724 1.00 0.00 H new ATOM 1050 N ILE A 79 109.573 -15.935 -0.366 1.00 0.00 N ATOM 1051 CA ILE A 79 108.633 -15.037 0.371 1.00 0.00 C ATOM 1052 C ILE A 79 109.368 -14.284 1.484 1.00 0.00 C ATOM 1053 O ILE A 79 110.200 -14.839 2.175 1.00 0.00 O ATOM 1054 CB ILE A 79 107.560 -15.967 0.950 1.00 0.00 C ATOM 1055 CG1 ILE A 79 108.208 -16.982 1.900 1.00 0.00 C ATOM 1056 CG2 ILE A 79 106.859 -16.712 -0.189 1.00 0.00 C ATOM 1057 CD1 ILE A 79 107.119 -17.820 2.576 1.00 0.00 C ATOM 0 H ILE A 79 110.144 -16.546 0.218 1.00 0.00 H new ATOM 0 HA ILE A 79 108.198 -14.277 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 79 106.831 -15.373 1.501 1.00 0.00 H new ATOM 0 HG12 ILE A 79 108.889 -17.629 1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 79 108.802 -16.463 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 79 106.097 -17.373 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 79 106.391 -15.992 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 79 107.590 -17.302 -0.742 1.00 0.00 H new ATOM 0 HD11 ILE A 79 107.581 -18.541 3.251 1.00 0.00 H new ATOM 0 HD12 ILE A 79 106.456 -17.166 3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 79 106.544 -18.350 1.817 1.00 0.00 H new ATOM 1068 N TYR A 80 109.072 -13.021 1.654 1.00 0.00 N ATOM 1069 CA TYR A 80 109.762 -12.236 2.718 1.00 0.00 C ATOM 1070 C TYR A 80 108.836 -11.162 3.304 1.00 0.00 C ATOM 1071 O TYR A 80 107.782 -10.871 2.772 1.00 0.00 O ATOM 1072 CB TYR A 80 110.980 -11.611 2.023 1.00 0.00 C ATOM 1073 CG TYR A 80 110.544 -10.536 1.051 1.00 0.00 C ATOM 1074 CD1 TYR A 80 110.168 -10.881 -0.252 1.00 0.00 C ATOM 1075 CD2 TYR A 80 110.521 -9.196 1.456 1.00 0.00 C ATOM 1076 CE1 TYR A 80 109.769 -9.885 -1.152 1.00 0.00 C ATOM 1077 CE2 TYR A 80 110.123 -8.201 0.556 1.00 0.00 C ATOM 1078 CZ TYR A 80 109.747 -8.545 -0.747 1.00 0.00 C ATOM 1079 OH TYR A 80 109.355 -7.563 -1.634 1.00 0.00 O ATOM 0 H TYR A 80 108.386 -12.503 1.105 1.00 0.00 H new ATOM 0 HA TYR A 80 110.055 -12.861 3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 80 111.652 -11.185 2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 80 111.539 -12.382 1.494 1.00 0.00 H new ATOM 0 HD1 TYR A 80 110.186 -11.915 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 80 110.810 -8.930 2.462 1.00 0.00 H new ATOM 0 HE1 TYR A 80 109.478 -10.150 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 80 110.106 -7.167 0.867 1.00 0.00 H new ATOM 0 HH TYR A 80 109.396 -6.689 -1.193 1.00 0.00 H new ATOM 1088 N GLY A 81 109.238 -10.577 4.400 1.00 0.00 N ATOM 1089 CA GLY A 81 108.407 -9.520 5.043 1.00 0.00 C ATOM 1090 C GLY A 81 109.265 -8.278 5.278 1.00 0.00 C ATOM 1091 O GLY A 81 110.478 -8.332 5.211 1.00 0.00 O ATOM 0 H GLY A 81 110.113 -10.788 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 81 107.556 -9.274 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 81 108.005 -9.883 5.989 1.00 0.00 H new ATOM 1094 N VAL A 82 108.649 -7.158 5.551 1.00 0.00 N ATOM 1095 CA VAL A 82 109.435 -5.913 5.789 1.00 0.00 C ATOM 1096 C VAL A 82 108.891 -5.153 7.002 1.00 0.00 C ATOM 1097 O VAL A 82 107.699 -4.979 7.157 1.00 0.00 O ATOM 1098 CB VAL A 82 109.267 -5.082 4.512 1.00 0.00 C ATOM 1099 CG1 VAL A 82 109.842 -5.856 3.323 1.00 0.00 C ATOM 1100 CG2 VAL A 82 107.778 -4.794 4.266 1.00 0.00 C ATOM 0 H VAL A 82 107.637 -7.052 5.619 1.00 0.00 H new ATOM 0 HA VAL A 82 110.482 -6.128 6.001 1.00 0.00 H new ATOM 0 HB VAL A 82 109.798 -4.137 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 82 109.724 -5.267 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 82 110.901 -6.051 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 82 109.312 -6.802 3.214 1.00 0.00 H new ATOM 0 HG21 VAL A 82 107.667 -4.203 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 82 107.239 -5.735 4.155 1.00 0.00 H new ATOM 0 HG23 VAL A 82 107.370 -4.239 5.111 1.00 0.00 H new ATOM 1110 N VAL A 83 109.766 -4.689 7.849 1.00 0.00 N ATOM 1111 CA VAL A 83 109.335 -3.919 9.051 1.00 0.00 C ATOM 1112 C VAL A 83 110.316 -2.767 9.290 1.00 0.00 C ATOM 1113 O VAL A 83 111.494 -2.892 9.020 1.00 0.00 O ATOM 1114 CB VAL A 83 109.368 -4.923 10.209 1.00 0.00 C ATOM 1115 CG1 VAL A 83 110.793 -5.459 10.406 1.00 0.00 C ATOM 1116 CG2 VAL A 83 108.897 -4.229 11.491 1.00 0.00 C ATOM 0 H VAL A 83 110.775 -4.812 7.759 1.00 0.00 H new ATOM 0 HA VAL A 83 108.343 -3.481 8.941 1.00 0.00 H new ATOM 0 HB VAL A 83 108.708 -5.759 9.978 1.00 0.00 H new ATOM 0 HG11 VAL A 83 110.803 -6.171 11.231 1.00 0.00 H new ATOM 0 HG12 VAL A 83 111.124 -5.956 9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 83 111.465 -4.631 10.633 1.00 0.00 H new ATOM 0 HG21 VAL A 83 108.919 -4.939 12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 83 109.557 -3.391 11.715 1.00 0.00 H new ATOM 0 HG23 VAL A 83 107.880 -3.863 11.354 1.00 0.00 H new ATOM 1126 N GLY A 84 109.857 -1.658 9.810 1.00 0.00 N ATOM 1127 CA GLY A 84 110.785 -0.538 10.069 1.00 0.00 C ATOM 1128 C GLY A 84 110.019 0.774 10.174 1.00 0.00 C ATOM 1129 O GLY A 84 108.889 0.823 10.621 1.00 0.00 O ATOM 0 H GLY A 84 108.883 -1.488 10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 84 111.335 -0.720 10.992 1.00 0.00 H new ATOM 0 HA3 GLY A 84 111.520 -0.474 9.267 1.00 0.00 H new ATOM 1132 N VAL A 85 110.660 1.839 9.801 1.00 0.00 N ATOM 1133 CA VAL A 85 110.015 3.181 9.913 1.00 0.00 C ATOM 1134 C VAL A 85 110.215 4.058 8.664 1.00 0.00 C ATOM 1135 O VAL A 85 110.730 3.638 7.646 1.00 0.00 O ATOM 1136 CB VAL A 85 110.677 3.835 11.130 1.00 0.00 C ATOM 1137 CG1 VAL A 85 110.404 2.991 12.377 1.00 0.00 C ATOM 1138 CG2 VAL A 85 112.188 3.936 10.906 1.00 0.00 C ATOM 0 H VAL A 85 111.607 1.844 9.421 1.00 0.00 H new ATOM 0 HA VAL A 85 108.935 3.075 10.013 1.00 0.00 H new ATOM 0 HB VAL A 85 110.265 4.834 11.268 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.875 3.457 13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.329 2.923 12.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 110.813 1.991 12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 112.654 4.402 11.774 1.00 0.00 H new ATOM 0 HG22 VAL A 85 112.602 2.938 10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 85 112.385 4.540 10.021 1.00 0.00 H new ATOM 1148 N GLY A 86 109.794 5.290 8.783 1.00 0.00 N ATOM 1149 CA GLY A 86 109.924 6.268 7.660 1.00 0.00 C ATOM 1150 C GLY A 86 110.300 7.643 8.216 1.00 0.00 C ATOM 1151 O GLY A 86 109.969 7.972 9.337 1.00 0.00 O ATOM 0 H GLY A 86 109.358 5.667 9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.684 5.929 6.956 1.00 0.00 H new ATOM 0 HA3 GLY A 86 108.985 6.332 7.110 1.00 0.00 H new ATOM 1154 N TYR A 87 110.980 8.455 7.442 1.00 0.00 N ATOM 1155 CA TYR A 87 111.358 9.809 7.938 1.00 0.00 C ATOM 1156 C TYR A 87 110.831 10.879 6.983 1.00 0.00 C ATOM 1157 O TYR A 87 110.969 10.771 5.780 1.00 0.00 O ATOM 1158 CB TYR A 87 112.886 9.813 7.969 1.00 0.00 C ATOM 1159 CG TYR A 87 113.372 8.796 8.973 1.00 0.00 C ATOM 1160 CD1 TYR A 87 113.433 9.129 10.332 1.00 0.00 C ATOM 1161 CD2 TYR A 87 113.762 7.521 8.547 1.00 0.00 C ATOM 1162 CE1 TYR A 87 113.884 8.187 11.264 1.00 0.00 C ATOM 1163 CE2 TYR A 87 114.213 6.579 9.480 1.00 0.00 C ATOM 1164 CZ TYR A 87 114.274 6.912 10.838 1.00 0.00 C ATOM 1165 OH TYR A 87 114.718 5.983 11.757 1.00 0.00 O ATOM 0 H TYR A 87 111.287 8.237 6.494 1.00 0.00 H new ATOM 0 HA TYR A 87 110.937 10.024 8.920 1.00 0.00 H new ATOM 0 HB2 TYR A 87 113.281 9.581 6.980 1.00 0.00 H new ATOM 0 HB3 TYR A 87 113.252 10.805 8.234 1.00 0.00 H new ATOM 0 HD1 TYR A 87 113.132 10.113 10.661 1.00 0.00 H new ATOM 0 HD2 TYR A 87 113.715 7.264 7.499 1.00 0.00 H new ATOM 0 HE1 TYR A 87 113.931 8.444 12.312 1.00 0.00 H new ATOM 0 HE2 TYR A 87 114.514 5.595 9.151 1.00 0.00 H new ATOM 0 HH TYR A 87 114.948 5.150 11.295 1.00 0.00 H new ATOM 1174 N GLY A 88 110.229 11.908 7.511 1.00 0.00 N ATOM 1175 CA GLY A 88 109.691 12.987 6.638 1.00 0.00 C ATOM 1176 C GLY A 88 110.430 14.290 6.927 1.00 0.00 C ATOM 1177 O GLY A 88 110.310 14.859 7.997 1.00 0.00 O ATOM 0 H GLY A 88 110.086 12.048 8.511 1.00 0.00 H new ATOM 0 HA2 GLY A 88 109.809 12.714 5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 88 108.623 13.115 6.816 1.00 0.00 H new ATOM 1180 N LYS A 89 111.188 14.770 5.977 1.00 0.00 N ATOM 1181 CA LYS A 89 111.932 16.044 6.184 1.00 0.00 C ATOM 1182 C LYS A 89 111.196 17.184 5.482 1.00 0.00 C ATOM 1183 O LYS A 89 111.052 17.185 4.273 1.00 0.00 O ATOM 1184 CB LYS A 89 113.301 15.814 5.543 1.00 0.00 C ATOM 1185 CG LYS A 89 114.029 14.690 6.281 1.00 0.00 C ATOM 1186 CD LYS A 89 115.441 14.538 5.713 1.00 0.00 C ATOM 1187 CE LYS A 89 116.117 13.320 6.346 1.00 0.00 C ATOM 1188 NZ LYS A 89 116.896 12.698 5.239 1.00 0.00 N ATOM 0 H LYS A 89 111.323 14.333 5.065 1.00 0.00 H new ATOM 0 HA LYS A 89 112.021 16.312 7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 89 113.183 15.555 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 89 113.891 16.730 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 89 114.076 14.912 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 89 113.480 13.755 6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 89 115.398 14.422 4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 89 116.024 15.437 5.914 1.00 0.00 H new ATOM 0 HE2 LYS A 89 116.767 13.613 7.171 1.00 0.00 H new ATOM 0 HE3 LYS A 89 115.381 12.625 6.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 117.390 11.854 5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 116.250 12.424 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 117.593 13.381 4.878 1.00 0.00 H new ATOM 1404 N ASP A 104 109.349 13.995 11.273 1.00 0.00 N ATOM 1405 CA ASP A 104 108.040 13.281 11.187 1.00 0.00 C ATOM 1406 C ASP A 104 108.280 11.846 10.706 1.00 0.00 C ATOM 1407 O ASP A 104 108.753 11.630 9.609 1.00 0.00 O ATOM 1408 CB ASP A 104 107.226 14.069 10.159 1.00 0.00 C ATOM 1409 CG ASP A 104 105.762 13.625 10.208 1.00 0.00 C ATOM 1410 OD1 ASP A 104 105.320 13.224 11.272 1.00 0.00 O ATOM 1411 OD2 ASP A 104 105.108 13.695 9.180 1.00 0.00 O ATOM 0 HA ASP A 104 107.523 13.222 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.299 15.137 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 104 107.631 13.908 9.160 1.00 0.00 H new ATOM 1415 N TYR A 105 107.983 10.863 11.520 1.00 0.00 N ATOM 1416 CA TYR A 105 108.229 9.451 11.098 1.00 0.00 C ATOM 1417 C TYR A 105 107.049 8.536 11.455 1.00 0.00 C ATOM 1418 O TYR A 105 106.139 8.919 12.163 1.00 0.00 O ATOM 1419 CB TYR A 105 109.494 9.037 11.859 1.00 0.00 C ATOM 1420 CG TYR A 105 109.218 9.010 13.346 1.00 0.00 C ATOM 1421 CD1 TYR A 105 109.326 10.186 14.098 1.00 0.00 C ATOM 1422 CD2 TYR A 105 108.853 7.811 13.969 1.00 0.00 C ATOM 1423 CE1 TYR A 105 109.069 10.162 15.474 1.00 0.00 C ATOM 1424 CE2 TYR A 105 108.596 7.787 15.346 1.00 0.00 C ATOM 1425 CZ TYR A 105 108.705 8.963 16.098 1.00 0.00 C ATOM 1426 OH TYR A 105 108.452 8.940 17.454 1.00 0.00 O ATOM 0 H TYR A 105 107.584 10.977 12.452 1.00 0.00 H new ATOM 0 HA TYR A 105 108.345 9.367 10.017 1.00 0.00 H new ATOM 0 HB2 TYR A 105 109.824 8.054 11.524 1.00 0.00 H new ATOM 0 HB3 TYR A 105 110.303 9.735 11.644 1.00 0.00 H new ATOM 0 HD1 TYR A 105 109.607 11.111 13.617 1.00 0.00 H new ATOM 0 HD2 TYR A 105 108.769 6.904 13.388 1.00 0.00 H new ATOM 0 HE1 TYR A 105 109.152 11.069 16.054 1.00 0.00 H new ATOM 0 HE2 TYR A 105 108.314 6.862 15.827 1.00 0.00 H new ATOM 0 HH TYR A 105 108.211 8.030 17.726 1.00 0.00 H new ATOM 1435 N GLY A 106 107.078 7.322 10.967 1.00 0.00 N ATOM 1436 CA GLY A 106 105.985 6.350 11.261 1.00 0.00 C ATOM 1437 C GLY A 106 106.529 4.934 11.063 1.00 0.00 C ATOM 1438 O GLY A 106 107.695 4.755 10.771 1.00 0.00 O ATOM 0 H GLY A 106 107.822 6.960 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 106 105.628 6.479 12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.135 6.525 10.602 1.00 0.00 H new ATOM 1441 N PHE A 107 105.712 3.923 11.233 1.00 0.00 N ATOM 1442 CA PHE A 107 106.216 2.522 11.066 1.00 0.00 C ATOM 1443 C PHE A 107 105.666 1.893 9.780 1.00 0.00 C ATOM 1444 O PHE A 107 104.603 2.249 9.309 1.00 0.00 O ATOM 1445 CB PHE A 107 105.696 1.769 12.292 1.00 0.00 C ATOM 1446 CG PHE A 107 106.289 2.370 13.544 1.00 0.00 C ATOM 1447 CD1 PHE A 107 107.549 1.954 13.991 1.00 0.00 C ATOM 1448 CD2 PHE A 107 105.579 3.343 14.258 1.00 0.00 C ATOM 1449 CE1 PHE A 107 108.098 2.512 15.152 1.00 0.00 C ATOM 1450 CE2 PHE A 107 106.128 3.900 15.419 1.00 0.00 C ATOM 1451 CZ PHE A 107 107.388 3.484 15.866 1.00 0.00 C ATOM 0 H PHE A 107 104.725 4.005 11.478 1.00 0.00 H new ATOM 0 HA PHE A 107 107.303 2.488 10.988 1.00 0.00 H new ATOM 0 HB2 PHE A 107 104.608 1.823 12.330 1.00 0.00 H new ATOM 0 HB3 PHE A 107 105.960 0.714 12.222 1.00 0.00 H new ATOM 0 HD1 PHE A 107 108.097 1.203 13.441 1.00 0.00 H new ATOM 0 HD2 PHE A 107 104.607 3.664 13.913 1.00 0.00 H new ATOM 0 HE1 PHE A 107 109.070 2.192 15.497 1.00 0.00 H new ATOM 0 HE2 PHE A 107 105.580 4.650 15.970 1.00 0.00 H new ATOM 0 HZ PHE A 107 107.812 3.913 16.762 1.00 0.00 H new ATOM 1460 N SER A 108 106.389 0.960 9.208 1.00 0.00 N ATOM 1461 CA SER A 108 105.917 0.306 7.949 1.00 0.00 C ATOM 1462 C SER A 108 105.881 -1.219 8.116 1.00 0.00 C ATOM 1463 O SER A 108 106.615 -1.783 8.904 1.00 0.00 O ATOM 1464 CB SER A 108 106.943 0.704 6.890 1.00 0.00 C ATOM 1465 OG SER A 108 106.993 2.121 6.795 1.00 0.00 O ATOM 0 H SER A 108 107.286 0.624 9.560 1.00 0.00 H new ATOM 0 HA SER A 108 104.907 0.616 7.679 1.00 0.00 H new ATOM 0 HB2 SER A 108 107.925 0.311 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 108 106.674 0.272 5.926 1.00 0.00 H new ATOM 0 HG SER A 108 107.652 2.380 6.117 1.00 0.00 H new ATOM 1470 N TYR A 109 105.041 -1.887 7.366 1.00 0.00 N ATOM 1471 CA TYR A 109 104.962 -3.377 7.461 1.00 0.00 C ATOM 1472 C TYR A 109 104.433 -3.956 6.143 1.00 0.00 C ATOM 1473 O TYR A 109 103.617 -3.345 5.480 1.00 0.00 O ATOM 1474 CB TYR A 109 103.983 -3.654 8.602 1.00 0.00 C ATOM 1475 CG TYR A 109 103.955 -5.136 8.890 1.00 0.00 C ATOM 1476 CD1 TYR A 109 104.911 -5.701 9.742 1.00 0.00 C ATOM 1477 CD2 TYR A 109 102.974 -5.946 8.305 1.00 0.00 C ATOM 1478 CE1 TYR A 109 104.887 -7.075 10.009 1.00 0.00 C ATOM 1479 CE2 TYR A 109 102.950 -7.320 8.571 1.00 0.00 C ATOM 1480 CZ TYR A 109 103.907 -7.884 9.424 1.00 0.00 C ATOM 1481 OH TYR A 109 103.884 -9.239 9.686 1.00 0.00 O ATOM 0 H TYR A 109 104.405 -1.464 6.690 1.00 0.00 H new ATOM 0 HA TYR A 109 105.934 -3.834 7.645 1.00 0.00 H new ATOM 0 HB2 TYR A 109 104.283 -3.105 9.494 1.00 0.00 H new ATOM 0 HB3 TYR A 109 102.986 -3.306 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 109 105.668 -5.077 10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 109 102.236 -5.510 7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 109 105.625 -7.510 10.666 1.00 0.00 H new ATOM 0 HE2 TYR A 109 102.194 -7.945 8.119 1.00 0.00 H new ATOM 0 HH TYR A 109 103.140 -9.653 9.202 1.00 0.00 H new ATOM 1490 N GLY A 110 104.879 -5.129 5.757 1.00 0.00 N ATOM 1491 CA GLY A 110 104.378 -5.726 4.480 1.00 0.00 C ATOM 1492 C GLY A 110 105.215 -6.949 4.084 1.00 0.00 C ATOM 1493 O GLY A 110 106.129 -7.346 4.776 1.00 0.00 O ATOM 0 H GLY A 110 105.561 -5.692 6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 110 103.334 -6.016 4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.417 -4.981 3.685 1.00 0.00 H new ATOM 1496 N ALA A 111 104.896 -7.540 2.961 1.00 0.00 N ATOM 1497 CA ALA A 111 105.649 -8.739 2.474 1.00 0.00 C ATOM 1498 C ALA A 111 105.307 -8.975 0.999 1.00 0.00 C ATOM 1499 O ALA A 111 104.357 -8.409 0.492 1.00 0.00 O ATOM 1500 CB ALA A 111 105.156 -9.901 3.337 1.00 0.00 C ATOM 0 H ALA A 111 104.135 -7.240 2.351 1.00 0.00 H new ATOM 0 HA ALA A 111 106.730 -8.622 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 111 105.664 -10.818 3.038 1.00 0.00 H new ATOM 0 HB2 ALA A 111 105.371 -9.692 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 111 104.081 -10.023 3.204 1.00 0.00 H new ATOM 1506 N GLY A 112 106.056 -9.792 0.296 1.00 0.00 N ATOM 1507 CA GLY A 112 105.737 -10.030 -1.145 1.00 0.00 C ATOM 1508 C GLY A 112 106.304 -11.386 -1.579 1.00 0.00 C ATOM 1509 O GLY A 112 106.808 -12.144 -0.773 1.00 0.00 O ATOM 0 H GLY A 112 106.866 -10.299 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 112 104.658 -10.010 -1.297 1.00 0.00 H new ATOM 0 HA3 GLY A 112 106.160 -9.234 -1.758 1.00 0.00 H new ATOM 1512 N LEU A 113 106.223 -11.697 -2.849 1.00 0.00 N ATOM 1513 CA LEU A 113 106.755 -13.006 -3.342 1.00 0.00 C ATOM 1514 C LEU A 113 107.527 -12.801 -4.649 1.00 0.00 C ATOM 1515 O LEU A 113 107.289 -11.854 -5.373 1.00 0.00 O ATOM 1516 CB LEU A 113 105.519 -13.881 -3.579 1.00 0.00 C ATOM 1517 CG LEU A 113 104.561 -13.180 -4.548 1.00 0.00 C ATOM 1518 CD1 LEU A 113 103.872 -14.222 -5.430 1.00 0.00 C ATOM 1519 CD2 LEU A 113 103.505 -12.410 -3.752 1.00 0.00 C ATOM 0 H LEU A 113 105.811 -11.101 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 113 107.444 -13.464 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 113 105.819 -14.847 -3.986 1.00 0.00 H new ATOM 0 HB3 LEU A 113 105.014 -14.076 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 113 105.122 -12.488 -5.175 1.00 0.00 H new ATOM 0 HD11 LEU A 113 103.191 -13.722 -6.119 1.00 0.00 H new ATOM 0 HD12 LEU A 113 104.623 -14.772 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 113 103.311 -14.915 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 113 102.823 -11.911 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 113 102.945 -13.104 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 113 103.994 -11.666 -3.123 1.00 0.00 H new ATOM 1530 N GLN A 114 108.446 -13.681 -4.963 1.00 0.00 N ATOM 1531 CA GLN A 114 109.229 -13.539 -6.227 1.00 0.00 C ATOM 1532 C GLN A 114 108.923 -14.720 -7.156 1.00 0.00 C ATOM 1533 O GLN A 114 108.763 -15.840 -6.707 1.00 0.00 O ATOM 1534 CB GLN A 114 110.690 -13.568 -5.775 1.00 0.00 C ATOM 1535 CG GLN A 114 111.611 -13.343 -6.973 1.00 0.00 C ATOM 1536 CD GLN A 114 113.066 -13.368 -6.500 1.00 0.00 C ATOM 1537 OE1 GLN A 114 113.600 -12.358 -6.087 1.00 0.00 O ATOM 1538 NE2 GLN A 114 113.732 -14.490 -6.536 1.00 0.00 N ATOM 0 H GLN A 114 108.687 -14.494 -4.396 1.00 0.00 H new ATOM 0 HA GLN A 114 108.991 -12.629 -6.778 1.00 0.00 H new ATOM 0 HB2 GLN A 114 110.862 -12.798 -5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 114 110.916 -14.526 -5.307 1.00 0.00 H new ATOM 0 HG2 GLN A 114 111.447 -14.116 -7.724 1.00 0.00 H new ATOM 0 HG3 GLN A 114 111.386 -12.387 -7.446 1.00 0.00 H new ATOM 0 HE21 GLN A 114 113.284 -15.338 -6.883 1.00 0.00 H new ATOM 0 HE22 GLN A 114 114.701 -14.519 -6.217 1.00 0.00 H new ATOM 1545 N PHE A 115 108.834 -14.480 -8.443 1.00 0.00 N ATOM 1546 CA PHE A 115 108.531 -15.592 -9.392 1.00 0.00 C ATOM 1547 C PHE A 115 109.252 -15.369 -10.725 1.00 0.00 C ATOM 1548 O PHE A 115 109.481 -14.250 -11.138 1.00 0.00 O ATOM 1549 CB PHE A 115 107.016 -15.541 -9.590 1.00 0.00 C ATOM 1550 CG PHE A 115 106.578 -16.710 -10.439 1.00 0.00 C ATOM 1551 CD1 PHE A 115 106.307 -17.947 -9.842 1.00 0.00 C ATOM 1552 CD2 PHE A 115 106.440 -16.556 -11.824 1.00 0.00 C ATOM 1553 CE1 PHE A 115 105.900 -19.030 -10.629 1.00 0.00 C ATOM 1554 CE2 PHE A 115 106.033 -17.640 -12.611 1.00 0.00 C ATOM 1555 CZ PHE A 115 105.763 -18.877 -12.014 1.00 0.00 C ATOM 0 H PHE A 115 108.958 -13.564 -8.874 1.00 0.00 H new ATOM 0 HA PHE A 115 108.863 -16.558 -9.011 1.00 0.00 H new ATOM 0 HB2 PHE A 115 106.511 -15.570 -8.624 1.00 0.00 H new ATOM 0 HB3 PHE A 115 106.733 -14.604 -10.069 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.412 -18.065 -8.774 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.647 -15.602 -12.285 1.00 0.00 H new ATOM 0 HE1 PHE A 115 105.691 -19.984 -10.168 1.00 0.00 H new ATOM 0 HE2 PHE A 115 105.927 -17.522 -13.679 1.00 0.00 H new ATOM 0 HZ PHE A 115 105.449 -19.713 -12.621 1.00 0.00 H new ATOM 1564 N ASN A 116 109.598 -16.437 -11.403 1.00 0.00 N ATOM 1565 CA ASN A 116 110.297 -16.300 -12.726 1.00 0.00 C ATOM 1566 C ASN A 116 110.704 -17.669 -13.294 1.00 0.00 C ATOM 1567 O ASN A 116 111.202 -18.508 -12.570 1.00 0.00 O ATOM 1568 CB ASN A 116 111.561 -15.469 -12.446 1.00 0.00 C ATOM 1569 CG ASN A 116 111.590 -14.244 -13.364 1.00 0.00 C ATOM 1570 OD1 ASN A 116 112.405 -14.164 -14.262 1.00 0.00 O ATOM 1571 ND2 ASN A 116 110.730 -13.280 -13.177 1.00 0.00 N ATOM 0 H ASN A 116 109.428 -17.396 -11.101 1.00 0.00 H new ATOM 0 HA ASN A 116 109.640 -15.833 -13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 116 111.576 -15.154 -11.403 1.00 0.00 H new ATOM 0 HB3 ASN A 116 112.451 -16.077 -12.608 1.00 0.00 H new ATOM 0 HD21 ASN A 116 110.742 -12.461 -13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 116 110.046 -13.346 -12.424 1.00 0.00 H new ATOM 1577 N PRO A 117 110.518 -17.840 -14.586 1.00 0.00 N ATOM 1578 CA PRO A 117 110.916 -19.098 -15.247 1.00 0.00 C ATOM 1579 C PRO A 117 112.376 -18.986 -15.706 1.00 0.00 C ATOM 1580 O PRO A 117 112.708 -19.297 -16.834 1.00 0.00 O ATOM 1581 CB PRO A 117 109.982 -19.174 -16.448 1.00 0.00 C ATOM 1582 CG PRO A 117 109.592 -17.755 -16.751 1.00 0.00 C ATOM 1583 CD PRO A 117 109.918 -16.904 -15.545 1.00 0.00 C ATOM 0 HA PRO A 117 110.847 -19.976 -14.605 1.00 0.00 H new ATOM 0 HB2 PRO A 117 110.479 -19.634 -17.302 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.105 -19.782 -16.224 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.129 -17.393 -17.627 1.00 0.00 H new ATOM 0 HG3 PRO A 117 108.528 -17.695 -16.982 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.609 -16.101 -15.801 1.00 0.00 H new ATOM 0 HD3 PRO A 117 109.023 -16.436 -15.136 1.00 0.00 H new ATOM 1588 N MET A 118 113.246 -18.538 -14.837 1.00 0.00 N ATOM 1589 CA MET A 118 114.676 -18.392 -15.195 1.00 0.00 C ATOM 1590 C MET A 118 115.527 -18.663 -13.957 1.00 0.00 C ATOM 1591 O MET A 118 115.213 -18.233 -12.864 1.00 0.00 O ATOM 1592 CB MET A 118 114.827 -16.942 -15.651 1.00 0.00 C ATOM 1593 CG MET A 118 114.008 -16.716 -16.924 1.00 0.00 C ATOM 1594 SD MET A 118 114.372 -15.073 -17.593 1.00 0.00 S ATOM 1595 CE MET A 118 116.002 -15.462 -18.278 1.00 0.00 C ATOM 0 H MET A 118 113.015 -18.265 -13.882 1.00 0.00 H new ATOM 0 HA MET A 118 114.995 -19.086 -15.973 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.490 -16.266 -14.865 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.877 -16.716 -15.837 1.00 0.00 H new ATOM 0 HG2 MET A 118 114.245 -17.482 -17.663 1.00 0.00 H new ATOM 0 HG3 MET A 118 112.944 -16.803 -16.705 1.00 0.00 H new ATOM 0 HE1 MET A 118 116.343 -14.633 -18.899 1.00 0.00 H new ATOM 0 HE2 MET A 118 116.710 -15.622 -17.465 1.00 0.00 H new ATOM 0 HE3 MET A 118 115.936 -16.366 -18.884 1.00 0.00 H new ATOM 1603 N GLU A 119 116.583 -19.391 -14.125 1.00 0.00 N ATOM 1604 CA GLU A 119 117.463 -19.733 -12.967 1.00 0.00 C ATOM 1605 C GLU A 119 118.153 -18.497 -12.370 1.00 0.00 C ATOM 1606 O GLU A 119 118.330 -18.414 -11.169 1.00 0.00 O ATOM 1607 CB GLU A 119 118.508 -20.695 -13.538 1.00 0.00 C ATOM 1608 CG GLU A 119 117.820 -21.985 -13.994 1.00 0.00 C ATOM 1609 CD GLU A 119 118.864 -22.983 -14.510 1.00 0.00 C ATOM 1610 OE1 GLU A 119 120.007 -22.588 -14.687 1.00 0.00 O ATOM 1611 OE2 GLU A 119 118.502 -24.128 -14.721 1.00 0.00 O ATOM 0 H GLU A 119 116.885 -19.772 -15.022 1.00 0.00 H new ATOM 0 HA GLU A 119 116.882 -20.167 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 119 119.026 -20.230 -14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 119 119.262 -20.920 -12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 119 117.265 -22.423 -13.165 1.00 0.00 H new ATOM 0 HG3 GLU A 119 117.098 -21.763 -14.780 1.00 0.00 H new ATOM 1616 N ASN A 120 118.579 -17.552 -13.177 1.00 0.00 N ATOM 1617 CA ASN A 120 119.291 -16.361 -12.609 1.00 0.00 C ATOM 1618 C ASN A 120 118.451 -15.077 -12.686 1.00 0.00 C ATOM 1619 O ASN A 120 118.942 -14.004 -12.392 1.00 0.00 O ATOM 1620 CB ASN A 120 120.549 -16.215 -13.466 1.00 0.00 C ATOM 1621 CG ASN A 120 121.409 -17.474 -13.335 1.00 0.00 C ATOM 1622 OD1 ASN A 120 121.501 -18.053 -12.271 1.00 0.00 O ATOM 1623 ND2 ASN A 120 122.047 -17.925 -14.380 1.00 0.00 N ATOM 0 H ASN A 120 118.467 -17.553 -14.191 1.00 0.00 H new ATOM 0 HA ASN A 120 119.504 -16.508 -11.550 1.00 0.00 H new ATOM 0 HB2 ASN A 120 120.274 -16.057 -14.509 1.00 0.00 H new ATOM 0 HB3 ASN A 120 121.117 -15.340 -13.150 1.00 0.00 H new ATOM 0 HD21 ASN A 120 122.623 -18.763 -14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 120 121.970 -17.439 -15.274 1.00 0.00 H new ATOM 1629 N VAL A 121 117.202 -15.159 -13.067 1.00 0.00 N ATOM 1630 CA VAL A 121 116.369 -13.917 -13.140 1.00 0.00 C ATOM 1631 C VAL A 121 115.132 -14.061 -12.249 1.00 0.00 C ATOM 1632 O VAL A 121 114.516 -15.109 -12.198 1.00 0.00 O ATOM 1633 CB VAL A 121 115.971 -13.771 -14.612 1.00 0.00 C ATOM 1634 CG1 VAL A 121 115.136 -12.502 -14.792 1.00 0.00 C ATOM 1635 CG2 VAL A 121 117.232 -13.674 -15.479 1.00 0.00 C ATOM 0 H VAL A 121 116.725 -16.022 -13.329 1.00 0.00 H new ATOM 0 HA VAL A 121 116.911 -13.039 -12.790 1.00 0.00 H new ATOM 0 HB VAL A 121 115.387 -14.640 -14.915 1.00 0.00 H new ATOM 0 HG11 VAL A 121 114.853 -12.398 -15.839 1.00 0.00 H new ATOM 0 HG12 VAL A 121 114.238 -12.567 -14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 121 115.722 -11.635 -14.487 1.00 0.00 H new ATOM 0 HG21 VAL A 121 116.947 -13.570 -16.526 1.00 0.00 H new ATOM 0 HG22 VAL A 121 117.817 -12.806 -15.175 1.00 0.00 H new ATOM 0 HG23 VAL A 121 117.830 -14.577 -15.354 1.00 0.00 H new ATOM 1645 N ALA A 122 114.773 -13.021 -11.537 1.00 0.00 N ATOM 1646 CA ALA A 122 113.580 -13.121 -10.643 1.00 0.00 C ATOM 1647 C ALA A 122 112.814 -11.795 -10.542 1.00 0.00 C ATOM 1648 O ALA A 122 113.389 -10.733 -10.438 1.00 0.00 O ATOM 1649 CB ALA A 122 114.151 -13.513 -9.281 1.00 0.00 C ATOM 0 H ALA A 122 115.248 -12.118 -11.536 1.00 0.00 H new ATOM 0 HA ALA A 122 112.859 -13.843 -11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 122 113.339 -13.609 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 122 114.675 -14.465 -9.366 1.00 0.00 H new ATOM 0 HB3 ALA A 122 114.847 -12.745 -8.944 1.00 0.00 H new ATOM 1655 N LEU A 123 111.509 -11.874 -10.553 1.00 0.00 N ATOM 1656 CA LEU A 123 110.657 -10.652 -10.434 1.00 0.00 C ATOM 1657 C LEU A 123 109.751 -10.827 -9.217 1.00 0.00 C ATOM 1658 O LEU A 123 109.198 -11.889 -9.024 1.00 0.00 O ATOM 1659 CB LEU A 123 109.832 -10.615 -11.723 1.00 0.00 C ATOM 1660 CG LEU A 123 109.010 -9.326 -11.774 1.00 0.00 C ATOM 1661 CD1 LEU A 123 109.895 -8.171 -12.245 1.00 0.00 C ATOM 1662 CD2 LEU A 123 107.844 -9.506 -12.750 1.00 0.00 C ATOM 0 H LEU A 123 110.989 -12.747 -10.641 1.00 0.00 H new ATOM 0 HA LEU A 123 111.227 -9.731 -10.307 1.00 0.00 H new ATOM 0 HB2 LEU A 123 110.491 -10.672 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 123 109.171 -11.481 -11.768 1.00 0.00 H new ATOM 0 HG LEU A 123 108.623 -9.102 -10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 123 109.307 -7.254 -12.281 1.00 0.00 H new ATOM 0 HD12 LEU A 123 110.726 -8.043 -11.551 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.283 -8.392 -13.239 1.00 0.00 H new ATOM 0 HD21 LEU A 123 107.257 -8.589 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 123 108.232 -9.730 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 123 107.212 -10.328 -12.414 1.00 0.00 H new ATOM 1673 N ASP A 124 109.588 -9.831 -8.380 1.00 0.00 N ATOM 1674 CA ASP A 124 108.712 -10.040 -7.187 1.00 0.00 C ATOM 1675 C ASP A 124 107.827 -8.824 -6.900 1.00 0.00 C ATOM 1676 O ASP A 124 108.152 -7.701 -7.234 1.00 0.00 O ATOM 1677 CB ASP A 124 109.684 -10.289 -6.026 1.00 0.00 C ATOM 1678 CG ASP A 124 110.628 -9.092 -5.841 1.00 0.00 C ATOM 1679 OD1 ASP A 124 110.421 -8.080 -6.489 1.00 0.00 O ATOM 1680 OD2 ASP A 124 111.548 -9.212 -5.049 1.00 0.00 O ATOM 0 H ASP A 124 110.011 -8.907 -8.467 1.00 0.00 H new ATOM 0 HA ASP A 124 108.023 -10.870 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 124 109.124 -10.462 -5.107 1.00 0.00 H new ATOM 0 HB3 ASP A 124 110.266 -11.190 -6.219 1.00 0.00 H new ATOM 1684 N PHE A 125 106.706 -9.058 -6.271 1.00 0.00 N ATOM 1685 CA PHE A 125 105.778 -7.942 -5.933 1.00 0.00 C ATOM 1686 C PHE A 125 105.500 -7.943 -4.429 1.00 0.00 C ATOM 1687 O PHE A 125 105.317 -8.983 -3.826 1.00 0.00 O ATOM 1688 CB PHE A 125 104.498 -8.232 -6.717 1.00 0.00 C ATOM 1689 CG PHE A 125 104.795 -8.196 -8.197 1.00 0.00 C ATOM 1690 CD1 PHE A 125 104.794 -6.975 -8.881 1.00 0.00 C ATOM 1691 CD2 PHE A 125 105.073 -9.383 -8.884 1.00 0.00 C ATOM 1692 CE1 PHE A 125 105.070 -6.941 -10.253 1.00 0.00 C ATOM 1693 CE2 PHE A 125 105.350 -9.349 -10.256 1.00 0.00 C ATOM 1694 CZ PHE A 125 105.348 -8.128 -10.940 1.00 0.00 C ATOM 0 H PHE A 125 106.392 -9.982 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 125 106.190 -6.965 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 125 104.102 -9.208 -6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 125 103.733 -7.495 -6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 125 104.580 -6.059 -8.350 1.00 0.00 H new ATOM 0 HD2 PHE A 125 105.074 -10.325 -8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 125 105.068 -5.999 -10.781 1.00 0.00 H new ATOM 0 HE2 PHE A 125 105.565 -10.265 -10.786 1.00 0.00 H new ATOM 0 HZ PHE A 125 105.561 -8.102 -11.998 1.00 0.00 H new ATOM 1703 N SER A 126 105.464 -6.790 -3.820 1.00 0.00 N ATOM 1704 CA SER A 126 105.193 -6.728 -2.355 1.00 0.00 C ATOM 1705 C SER A 126 104.402 -5.465 -2.018 1.00 0.00 C ATOM 1706 O SER A 126 104.427 -4.494 -2.749 1.00 0.00 O ATOM 1707 CB SER A 126 106.571 -6.690 -1.698 1.00 0.00 C ATOM 1708 OG SER A 126 107.201 -5.451 -1.999 1.00 0.00 O ATOM 0 H SER A 126 105.610 -5.888 -4.273 1.00 0.00 H new ATOM 0 HA SER A 126 104.601 -7.575 -2.008 1.00 0.00 H new ATOM 0 HB2 SER A 126 106.475 -6.810 -0.619 1.00 0.00 H new ATOM 0 HB3 SER A 126 107.181 -7.518 -2.058 1.00 0.00 H new ATOM 0 HG SER A 126 107.609 -5.499 -2.889 1.00 0.00 H new ATOM 1713 N TYR A 127 103.704 -5.471 -0.915 1.00 0.00 N ATOM 1714 CA TYR A 127 102.914 -4.269 -0.525 1.00 0.00 C ATOM 1715 C TYR A 127 103.140 -3.940 0.955 1.00 0.00 C ATOM 1716 O TYR A 127 103.259 -4.822 1.785 1.00 0.00 O ATOM 1717 CB TYR A 127 101.453 -4.654 -0.795 1.00 0.00 C ATOM 1718 CG TYR A 127 101.022 -5.754 0.152 1.00 0.00 C ATOM 1719 CD1 TYR A 127 101.280 -7.092 -0.167 1.00 0.00 C ATOM 1720 CD2 TYR A 127 100.366 -5.433 1.346 1.00 0.00 C ATOM 1721 CE1 TYR A 127 100.884 -8.110 0.709 1.00 0.00 C ATOM 1722 CE2 TYR A 127 99.970 -6.450 2.222 1.00 0.00 C ATOM 1723 CZ TYR A 127 100.229 -7.789 1.904 1.00 0.00 C ATOM 1724 OH TYR A 127 99.838 -8.791 2.768 1.00 0.00 O ATOM 0 H TYR A 127 103.647 -6.257 -0.267 1.00 0.00 H new ATOM 0 HA TYR A 127 103.204 -3.379 -1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.810 -3.783 -0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 127 101.341 -4.987 -1.827 1.00 0.00 H new ATOM 0 HD1 TYR A 127 101.785 -7.339 -1.089 1.00 0.00 H new ATOM 0 HD2 TYR A 127 100.165 -4.401 1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 127 101.084 -9.142 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 127 99.464 -6.202 3.144 1.00 0.00 H new ATOM 0 HH TYR A 127 99.398 -8.396 3.550 1.00 0.00 H new ATOM 1733 N GLU A 128 103.190 -2.678 1.288 1.00 0.00 N ATOM 1734 CA GLU A 128 103.397 -2.284 2.711 1.00 0.00 C ATOM 1735 C GLU A 128 102.734 -0.931 2.986 1.00 0.00 C ATOM 1736 O GLU A 128 102.727 -0.052 2.146 1.00 0.00 O ATOM 1737 CB GLU A 128 104.916 -2.199 2.893 1.00 0.00 C ATOM 1738 CG GLU A 128 105.503 -1.158 1.932 1.00 0.00 C ATOM 1739 CD GLU A 128 107.031 -1.126 2.060 1.00 0.00 C ATOM 1740 OE1 GLU A 128 107.552 -1.766 2.961 1.00 0.00 O ATOM 1741 OE2 GLU A 128 107.656 -0.458 1.253 1.00 0.00 O ATOM 0 H GLU A 128 103.096 -1.901 0.634 1.00 0.00 H new ATOM 0 HA GLU A 128 102.953 -2.998 3.405 1.00 0.00 H new ATOM 0 HB2 GLU A 128 105.152 -1.930 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 128 105.368 -3.173 2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.221 -1.398 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 128 105.091 -0.174 2.154 1.00 0.00 H new ATOM 1746 N GLN A 129 102.181 -0.758 4.157 1.00 0.00 N ATOM 1747 CA GLN A 129 101.521 0.538 4.492 1.00 0.00 C ATOM 1748 C GLN A 129 102.295 1.246 5.605 1.00 0.00 C ATOM 1749 O GLN A 129 102.859 0.613 6.476 1.00 0.00 O ATOM 1750 CB GLN A 129 100.120 0.158 4.972 1.00 0.00 C ATOM 1751 CG GLN A 129 99.358 -0.530 3.837 1.00 0.00 C ATOM 1752 CD GLN A 129 97.973 -0.955 4.330 1.00 0.00 C ATOM 1753 OE1 GLN A 129 97.734 -1.034 5.519 1.00 0.00 O ATOM 1754 NE2 GLN A 129 97.042 -1.234 3.459 1.00 0.00 N ATOM 0 H GLN A 129 102.158 -1.459 4.897 1.00 0.00 H new ATOM 0 HA GLN A 129 101.488 1.219 3.641 1.00 0.00 H new ATOM 0 HB2 GLN A 129 100.187 -0.506 5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 129 99.582 1.048 5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 129 99.261 0.147 2.988 1.00 0.00 H new ATOM 0 HG3 GLN A 129 99.914 -1.401 3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 129 97.241 -1.168 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 129 96.115 -1.518 3.776 1.00 0.00 H new ATOM 1761 N SER A 130 102.326 2.552 5.583 1.00 0.00 N ATOM 1762 CA SER A 130 103.065 3.298 6.643 1.00 0.00 C ATOM 1763 C SER A 130 102.171 4.379 7.250 1.00 0.00 C ATOM 1764 O SER A 130 101.437 5.053 6.554 1.00 0.00 O ATOM 1765 CB SER A 130 104.256 3.929 5.924 1.00 0.00 C ATOM 1766 OG SER A 130 105.091 4.576 6.876 1.00 0.00 O ATOM 0 H SER A 130 101.872 3.134 4.878 1.00 0.00 H new ATOM 0 HA SER A 130 103.379 2.650 7.462 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.819 3.164 5.389 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.908 4.647 5.181 1.00 0.00 H new ATOM 0 HG SER A 130 105.857 4.001 7.083 1.00 0.00 H new ATOM 1771 N ARG A 131 102.234 4.553 8.544 1.00 0.00 N ATOM 1772 CA ARG A 131 101.396 5.596 9.201 1.00 0.00 C ATOM 1773 C ARG A 131 102.274 6.493 10.074 1.00 0.00 C ATOM 1774 O ARG A 131 103.030 6.016 10.904 1.00 0.00 O ATOM 1775 CB ARG A 131 100.398 4.821 10.062 1.00 0.00 C ATOM 1776 CG ARG A 131 99.371 5.791 10.651 1.00 0.00 C ATOM 1777 CD ARG A 131 98.387 5.020 11.533 1.00 0.00 C ATOM 1778 NE ARG A 131 99.176 4.622 12.732 1.00 0.00 N ATOM 1779 CZ ARG A 131 99.498 5.516 13.628 1.00 0.00 C ATOM 1780 NH1 ARG A 131 98.582 6.010 14.415 1.00 0.00 N ATOM 1781 NH2 ARG A 131 100.736 5.915 13.735 1.00 0.00 N ATOM 0 H ARG A 131 102.831 4.017 9.174 1.00 0.00 H new ATOM 0 HA ARG A 131 100.893 6.241 8.480 1.00 0.00 H new ATOM 0 HB2 ARG A 131 99.895 4.063 9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 131 100.921 4.298 10.863 1.00 0.00 H new ATOM 0 HG2 ARG A 131 99.875 6.560 11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 131 98.835 6.301 9.850 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.535 5.641 11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.991 4.147 11.013 1.00 0.00 H new ATOM 0 HE ARG A 131 99.465 3.651 12.853 1.00 0.00 H new ATOM 0 HH11 ARG A 131 97.615 5.698 14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 131 98.833 6.708 15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 131 101.451 5.529 13.119 1.00 0.00 H new ATOM 0 HH22 ARG A 131 100.988 6.613 14.435 1.00 0.00 H new ATOM 1792 N ILE A 132 102.182 7.785 9.891 1.00 0.00 N ATOM 1793 CA ILE A 132 103.009 8.718 10.703 1.00 0.00 C ATOM 1794 C ILE A 132 102.096 9.642 11.509 1.00 0.00 C ATOM 1795 O ILE A 132 102.178 10.848 11.404 1.00 0.00 O ATOM 1796 CB ILE A 132 103.825 9.519 9.682 1.00 0.00 C ATOM 1797 CG1 ILE A 132 104.701 8.564 8.865 1.00 0.00 C ATOM 1798 CG2 ILE A 132 104.713 10.537 10.409 1.00 0.00 C ATOM 1799 CD1 ILE A 132 105.364 9.332 7.720 1.00 0.00 C ATOM 0 H ILE A 132 101.567 8.232 9.211 1.00 0.00 H new ATOM 0 HA ILE A 132 103.653 8.199 11.413 1.00 0.00 H new ATOM 0 HB ILE A 132 103.145 10.049 9.015 1.00 0.00 H new ATOM 0 HG12 ILE A 132 105.461 8.115 9.504 1.00 0.00 H new ATOM 0 HG13 ILE A 132 104.096 7.749 8.468 1.00 0.00 H new ATOM 0 HG21 ILE A 132 105.291 11.103 9.678 1.00 0.00 H new ATOM 0 HG22 ILE A 132 104.088 11.219 10.985 1.00 0.00 H new ATOM 0 HG23 ILE A 132 105.392 10.013 11.081 1.00 0.00 H new ATOM 0 HD11 ILE A 132 105.987 8.652 7.139 1.00 0.00 H new ATOM 0 HD12 ILE A 132 104.596 9.760 7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.982 10.132 8.128 1.00 0.00 H new ATOM 1810 N ARG A 133 101.227 9.074 12.310 1.00 0.00 N ATOM 1811 CA ARG A 133 100.280 9.883 13.151 1.00 0.00 C ATOM 1812 C ARG A 133 99.273 10.654 12.287 1.00 0.00 C ATOM 1813 O ARG A 133 98.076 10.507 12.450 1.00 0.00 O ATOM 1814 CB ARG A 133 101.149 10.855 13.960 1.00 0.00 C ATOM 1815 CG ARG A 133 100.283 11.560 15.005 1.00 0.00 C ATOM 1816 CD ARG A 133 101.111 12.632 15.718 1.00 0.00 C ATOM 1817 NE ARG A 133 102.178 11.882 16.437 1.00 0.00 N ATOM 1818 CZ ARG A 133 102.300 12.002 17.730 1.00 0.00 C ATOM 1819 NH1 ARG A 133 102.961 13.009 18.233 1.00 0.00 N ATOM 1820 NH2 ARG A 133 101.759 11.117 18.522 1.00 0.00 N ATOM 0 H ARG A 133 101.130 8.065 12.420 1.00 0.00 H new ATOM 0 HA ARG A 133 99.692 9.233 13.799 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.960 10.315 14.448 1.00 0.00 H new ATOM 0 HB3 ARG A 133 101.608 11.588 13.297 1.00 0.00 H new ATOM 0 HG2 ARG A 133 99.415 12.014 14.527 1.00 0.00 H new ATOM 0 HG3 ARG A 133 99.906 10.837 15.728 1.00 0.00 H new ATOM 0 HD2 ARG A 133 101.537 13.339 15.006 1.00 0.00 H new ATOM 0 HD3 ARG A 133 100.498 13.208 16.411 1.00 0.00 H new ATOM 0 HE ARG A 133 102.813 11.275 15.919 1.00 0.00 H new ATOM 0 HH11 ARG A 133 103.382 13.702 17.615 1.00 0.00 H new ATOM 0 HH12 ARG A 133 103.056 13.103 19.244 1.00 0.00 H new ATOM 0 HH21 ARG A 133 101.240 10.331 18.130 1.00 0.00 H new ATOM 0 HH22 ARG A 133 101.855 11.211 19.533 1.00 0.00 H new ATOM 1831 N SER A 134 99.735 11.481 11.386 1.00 0.00 N ATOM 1832 CA SER A 134 98.788 12.264 10.538 1.00 0.00 C ATOM 1833 C SER A 134 98.932 11.900 9.057 1.00 0.00 C ATOM 1834 O SER A 134 98.156 12.346 8.232 1.00 0.00 O ATOM 1835 CB SER A 134 99.176 13.724 10.766 1.00 0.00 C ATOM 1836 OG SER A 134 98.314 14.291 11.743 1.00 0.00 O ATOM 0 H SER A 134 100.724 11.648 11.201 1.00 0.00 H new ATOM 0 HA SER A 134 97.750 12.060 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 134 100.213 13.790 11.097 1.00 0.00 H new ATOM 0 HB3 SER A 134 99.103 14.282 9.832 1.00 0.00 H new ATOM 0 HG SER A 134 98.561 15.227 11.893 1.00 0.00 H new ATOM 1841 N VAL A 135 99.912 11.107 8.701 1.00 0.00 N ATOM 1842 CA VAL A 135 100.076 10.745 7.259 1.00 0.00 C ATOM 1843 C VAL A 135 99.960 9.232 7.066 1.00 0.00 C ATOM 1844 O VAL A 135 100.595 8.457 7.754 1.00 0.00 O ATOM 1845 CB VAL A 135 101.476 11.232 6.875 1.00 0.00 C ATOM 1846 CG1 VAL A 135 101.720 10.964 5.388 1.00 0.00 C ATOM 1847 CG2 VAL A 135 101.589 12.736 7.141 1.00 0.00 C ATOM 0 H VAL A 135 100.597 10.699 9.337 1.00 0.00 H new ATOM 0 HA VAL A 135 99.304 11.199 6.637 1.00 0.00 H new ATOM 0 HB VAL A 135 102.218 10.700 7.471 1.00 0.00 H new ATOM 0 HG11 VAL A 135 102.717 11.311 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 135 101.642 9.894 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 135 100.976 11.496 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 135 102.586 13.080 6.867 1.00 0.00 H new ATOM 0 HG22 VAL A 135 100.846 13.267 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.416 12.932 8.199 1.00 0.00 H new ATOM 1857 N ASP A 136 99.157 8.811 6.124 1.00 0.00 N ATOM 1858 CA ASP A 136 98.997 7.353 5.867 1.00 0.00 C ATOM 1859 C ASP A 136 99.088 7.094 4.366 1.00 0.00 C ATOM 1860 O ASP A 136 98.249 7.530 3.603 1.00 0.00 O ATOM 1861 CB ASP A 136 97.604 7.002 6.392 1.00 0.00 C ATOM 1862 CG ASP A 136 97.385 5.491 6.289 1.00 0.00 C ATOM 1863 OD1 ASP A 136 97.815 4.788 7.189 1.00 0.00 O ATOM 1864 OD2 ASP A 136 96.792 5.063 5.313 1.00 0.00 O ATOM 0 H ASP A 136 98.604 9.419 5.520 1.00 0.00 H new ATOM 0 HA ASP A 136 99.767 6.753 6.351 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.502 7.325 7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 136 96.843 7.530 5.817 1.00 0.00 H new ATOM 1868 N VAL A 137 100.103 6.403 3.932 1.00 0.00 N ATOM 1869 CA VAL A 137 100.253 6.134 2.473 1.00 0.00 C ATOM 1870 C VAL A 137 100.368 4.629 2.214 1.00 0.00 C ATOM 1871 O VAL A 137 100.891 3.888 3.024 1.00 0.00 O ATOM 1872 CB VAL A 137 101.549 6.852 2.072 1.00 0.00 C ATOM 1873 CG1 VAL A 137 101.426 8.349 2.376 1.00 0.00 C ATOM 1874 CG2 VAL A 137 102.729 6.272 2.861 1.00 0.00 C ATOM 0 H VAL A 137 100.836 6.012 4.523 1.00 0.00 H new ATOM 0 HA VAL A 137 99.395 6.484 1.899 1.00 0.00 H new ATOM 0 HB VAL A 137 101.719 6.709 1.005 1.00 0.00 H new ATOM 0 HG11 VAL A 137 102.348 8.855 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 137 100.592 8.767 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 137 101.250 8.490 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 137 103.647 6.785 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 137 102.556 6.410 3.928 1.00 0.00 H new ATOM 0 HG23 VAL A 137 102.824 5.208 2.644 1.00 0.00 H new ATOM 1884 N GLY A 138 99.903 4.179 1.079 1.00 0.00 N ATOM 1885 CA GLY A 138 100.003 2.727 0.747 1.00 0.00 C ATOM 1886 C GLY A 138 101.131 2.548 -0.266 1.00 0.00 C ATOM 1887 O GLY A 138 100.982 2.871 -1.428 1.00 0.00 O ATOM 0 H GLY A 138 99.457 4.756 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 138 100.203 2.144 1.646 1.00 0.00 H new ATOM 0 HA3 GLY A 138 99.061 2.365 0.335 1.00 0.00 H new ATOM 1890 N THR A 139 102.266 2.066 0.167 1.00 0.00 N ATOM 1891 CA THR A 139 103.413 1.906 -0.775 1.00 0.00 C ATOM 1892 C THR A 139 103.724 0.435 -1.044 1.00 0.00 C ATOM 1893 O THR A 139 103.605 -0.410 -0.179 1.00 0.00 O ATOM 1894 CB THR A 139 104.595 2.573 -0.070 1.00 0.00 C ATOM 1895 OG1 THR A 139 104.221 3.876 0.354 1.00 0.00 O ATOM 1896 CG2 THR A 139 105.778 2.669 -1.035 1.00 0.00 C ATOM 0 H THR A 139 102.448 1.777 1.128 1.00 0.00 H new ATOM 0 HA THR A 139 103.192 2.351 -1.745 1.00 0.00 H new ATOM 0 HB THR A 139 104.882 1.978 0.797 1.00 0.00 H new ATOM 0 HG1 THR A 139 104.978 4.302 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 139 106.620 3.144 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.066 1.669 -1.358 1.00 0.00 H new ATOM 0 HG23 THR A 139 105.492 3.262 -1.903 1.00 0.00 H new ATOM 1904 N TRP A 140 104.141 0.139 -2.245 1.00 0.00 N ATOM 1905 CA TRP A 140 104.494 -1.263 -2.607 1.00 0.00 C ATOM 1906 C TRP A 140 105.851 -1.274 -3.320 1.00 0.00 C ATOM 1907 O TRP A 140 106.179 -0.357 -4.049 1.00 0.00 O ATOM 1908 CB TRP A 140 103.377 -1.734 -3.546 1.00 0.00 C ATOM 1909 CG TRP A 140 103.308 -0.841 -4.747 1.00 0.00 C ATOM 1910 CD1 TRP A 140 102.430 0.175 -4.909 1.00 0.00 C ATOM 1911 CD2 TRP A 140 104.135 -0.863 -5.947 1.00 0.00 C ATOM 1912 NE1 TRP A 140 102.662 0.776 -6.133 1.00 0.00 N ATOM 1913 CE2 TRP A 140 103.704 0.172 -6.810 1.00 0.00 C ATOM 1914 CE3 TRP A 140 105.205 -1.673 -6.367 1.00 0.00 C ATOM 1915 CZ2 TRP A 140 104.313 0.396 -8.045 1.00 0.00 C ATOM 1916 CZ3 TRP A 140 105.821 -1.450 -7.609 1.00 0.00 C ATOM 1917 CH2 TRP A 140 105.375 -0.418 -8.446 1.00 0.00 C ATOM 0 H TRP A 140 104.253 0.817 -2.999 1.00 0.00 H new ATOM 0 HA TRP A 140 104.577 -1.915 -1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 140 103.561 -2.762 -3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 140 102.422 -1.726 -3.021 1.00 0.00 H new ATOM 0 HD1 TRP A 140 101.672 0.469 -4.199 1.00 0.00 H new ATOM 0 HE1 TRP A 140 102.129 1.568 -6.492 1.00 0.00 H new ATOM 0 HE3 TRP A 140 105.555 -2.472 -5.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 103.966 1.193 -8.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 106.643 -2.077 -7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 140 105.852 -0.252 -9.401 1.00 0.00 H new ATOM 1927 N ILE A 141 106.640 -2.294 -3.118 1.00 0.00 N ATOM 1928 CA ILE A 141 107.975 -2.349 -3.788 1.00 0.00 C ATOM 1929 C ILE A 141 108.043 -3.552 -4.731 1.00 0.00 C ATOM 1930 O ILE A 141 107.710 -4.660 -4.357 1.00 0.00 O ATOM 1931 CB ILE A 141 108.990 -2.497 -2.652 1.00 0.00 C ATOM 1932 CG1 ILE A 141 108.852 -1.318 -1.682 1.00 0.00 C ATOM 1933 CG2 ILE A 141 110.407 -2.513 -3.231 1.00 0.00 C ATOM 1934 CD1 ILE A 141 109.767 -1.538 -0.475 1.00 0.00 C ATOM 0 H ILE A 141 106.421 -3.091 -2.520 1.00 0.00 H new ATOM 0 HA ILE A 141 108.170 -1.462 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 141 108.802 -3.430 -2.120 1.00 0.00 H new ATOM 0 HG12 ILE A 141 109.114 -0.387 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 141 107.817 -1.223 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 141 111.130 -2.618 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 141 110.509 -3.351 -3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 141 110.593 -1.581 -3.764 1.00 0.00 H new ATOM 0 HD11 ILE A 141 109.668 -0.699 0.214 1.00 0.00 H new ATOM 0 HD12 ILE A 141 109.484 -2.460 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 141 110.801 -1.612 -0.811 1.00 0.00 H new ATOM 1945 N ALA A 142 108.476 -3.344 -5.948 1.00 0.00 N ATOM 1946 CA ALA A 142 108.569 -4.483 -6.909 1.00 0.00 C ATOM 1947 C ALA A 142 109.715 -4.250 -7.894 1.00 0.00 C ATOM 1948 O ALA A 142 109.996 -3.129 -8.275 1.00 0.00 O ATOM 1949 CB ALA A 142 107.226 -4.495 -7.641 1.00 0.00 C ATOM 0 H ALA A 142 108.768 -2.439 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 142 108.768 -5.431 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 142 107.215 -5.307 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 142 106.421 -4.641 -6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 142 107.084 -3.545 -8.156 1.00 0.00 H new ATOM 1955 N GLY A 143 110.381 -5.298 -8.307 1.00 0.00 N ATOM 1956 CA GLY A 143 111.509 -5.117 -9.265 1.00 0.00 C ATOM 1957 C GLY A 143 112.106 -6.464 -9.676 1.00 0.00 C ATOM 1958 O GLY A 143 111.409 -7.364 -10.106 1.00 0.00 O ATOM 0 H GLY A 143 110.194 -6.260 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 143 111.157 -4.587 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 143 112.281 -4.498 -8.809 1.00 0.00 H new ATOM 1961 N VAL A 144 113.403 -6.589 -9.563 1.00 0.00 N ATOM 1962 CA VAL A 144 114.079 -7.856 -9.971 1.00 0.00 C ATOM 1963 C VAL A 144 114.775 -8.524 -8.784 1.00 0.00 C ATOM 1964 O VAL A 144 114.872 -7.967 -7.708 1.00 0.00 O ATOM 1965 CB VAL A 144 115.106 -7.439 -11.028 1.00 0.00 C ATOM 1966 CG1 VAL A 144 114.384 -6.823 -12.227 1.00 0.00 C ATOM 1967 CG2 VAL A 144 116.073 -6.409 -10.434 1.00 0.00 C ATOM 0 H VAL A 144 114.025 -5.865 -9.204 1.00 0.00 H new ATOM 0 HA VAL A 144 113.363 -8.584 -10.353 1.00 0.00 H new ATOM 0 HB VAL A 144 115.666 -8.317 -11.349 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.115 -6.526 -12.979 1.00 0.00 H new ATOM 0 HG12 VAL A 144 113.700 -7.555 -12.655 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.822 -5.947 -11.903 1.00 0.00 H new ATOM 0 HG21 VAL A 144 116.802 -6.116 -11.190 1.00 0.00 H new ATOM 0 HG22 VAL A 144 115.515 -5.531 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.592 -6.846 -9.581 1.00 0.00 H new ATOM 1977 N GLY A 145 115.254 -9.725 -8.985 1.00 0.00 N ATOM 1978 CA GLY A 145 115.944 -10.457 -7.888 1.00 0.00 C ATOM 1979 C GLY A 145 117.024 -11.374 -8.472 1.00 0.00 C ATOM 1980 O GLY A 145 116.803 -12.069 -9.446 1.00 0.00 O ATOM 0 H GLY A 145 115.195 -10.231 -9.869 1.00 0.00 H new ATOM 0 HA2 GLY A 145 116.393 -9.748 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 145 115.222 -11.045 -7.321 1.00 0.00 H new ATOM 1983 N TYR A 146 118.187 -11.383 -7.874 1.00 0.00 N ATOM 1984 CA TYR A 146 119.293 -12.256 -8.372 1.00 0.00 C ATOM 1985 C TYR A 146 119.883 -13.047 -7.201 1.00 0.00 C ATOM 1986 O TYR A 146 119.879 -12.586 -6.079 1.00 0.00 O ATOM 1987 CB TYR A 146 120.331 -11.296 -8.954 1.00 0.00 C ATOM 1988 CG TYR A 146 121.427 -12.087 -9.626 1.00 0.00 C ATOM 1989 CD1 TYR A 146 121.270 -12.510 -10.952 1.00 0.00 C ATOM 1990 CD2 TYR A 146 122.598 -12.399 -8.926 1.00 0.00 C ATOM 1991 CE1 TYR A 146 122.285 -13.245 -11.577 1.00 0.00 C ATOM 1992 CE2 TYR A 146 123.613 -13.134 -9.551 1.00 0.00 C ATOM 1993 CZ TYR A 146 123.456 -13.557 -10.876 1.00 0.00 C ATOM 1994 OH TYR A 146 124.457 -14.282 -11.491 1.00 0.00 O ATOM 0 H TYR A 146 118.420 -10.819 -7.056 1.00 0.00 H new ATOM 0 HA TYR A 146 118.957 -12.978 -9.116 1.00 0.00 H new ATOM 0 HB2 TYR A 146 119.859 -10.625 -9.672 1.00 0.00 H new ATOM 0 HB3 TYR A 146 120.750 -10.673 -8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 146 120.366 -12.269 -11.492 1.00 0.00 H new ATOM 0 HD2 TYR A 146 122.719 -12.073 -7.904 1.00 0.00 H new ATOM 0 HE1 TYR A 146 122.164 -13.571 -12.600 1.00 0.00 H new ATOM 0 HE2 TYR A 146 124.517 -13.374 -9.011 1.00 0.00 H new ATOM 0 HH TYR A 146 125.200 -14.410 -10.865 1.00 0.00 H new ATOM 2003 N ARG A 147 120.383 -14.232 -7.447 1.00 0.00 N ATOM 2004 CA ARG A 147 120.960 -15.038 -6.326 1.00 0.00 C ATOM 2005 C ARG A 147 122.339 -15.603 -6.692 1.00 0.00 C ATOM 2006 O ARG A 147 122.494 -16.314 -7.665 1.00 0.00 O ATOM 2007 CB ARG A 147 119.949 -16.168 -6.092 1.00 0.00 C ATOM 2008 CG ARG A 147 119.854 -17.058 -7.337 1.00 0.00 C ATOM 2009 CD ARG A 147 118.646 -17.990 -7.209 1.00 0.00 C ATOM 2010 NE ARG A 147 118.713 -18.875 -8.407 1.00 0.00 N ATOM 2011 CZ ARG A 147 118.063 -20.007 -8.421 1.00 0.00 C ATOM 2012 NH1 ARG A 147 116.851 -20.070 -7.940 1.00 0.00 N ATOM 2013 NH2 ARG A 147 118.624 -21.076 -8.918 1.00 0.00 N ATOM 0 H ARG A 147 120.417 -14.674 -8.366 1.00 0.00 H new ATOM 0 HA ARG A 147 121.116 -14.433 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 147 120.252 -16.765 -5.231 1.00 0.00 H new ATOM 0 HB3 ARG A 147 118.970 -15.748 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 147 119.758 -16.442 -8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 147 120.767 -17.643 -7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 147 118.691 -18.570 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 147 117.713 -17.426 -7.186 1.00 0.00 H new ATOM 0 HE ARG A 147 119.267 -18.596 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 147 116.412 -19.235 -7.553 1.00 0.00 H new ATOM 0 HH12 ARG A 147 116.343 -20.955 -7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 147 119.570 -21.027 -9.295 1.00 0.00 H new ATOM 0 HH22 ARG A 147 118.116 -21.960 -8.929 1.00 0.00 H new ATOM 2024 N PHE A 148 123.341 -15.284 -5.911 1.00 0.00 N ATOM 2025 CA PHE A 148 124.714 -15.795 -6.202 1.00 0.00 C ATOM 2026 C PHE A 148 124.822 -17.271 -5.811 1.00 0.00 C ATOM 2027 CB PHE A 148 125.649 -14.943 -5.342 1.00 0.00 C ATOM 2028 CG PHE A 148 125.646 -13.521 -5.850 1.00 0.00 C ATOM 2029 CD1 PHE A 148 126.516 -13.145 -6.880 1.00 0.00 C ATOM 2030 CD2 PHE A 148 124.776 -12.579 -5.290 1.00 0.00 C ATOM 2031 CE1 PHE A 148 126.515 -11.827 -7.351 1.00 0.00 C ATOM 2032 CE2 PHE A 148 124.775 -11.260 -5.760 1.00 0.00 C ATOM 2033 CZ PHE A 148 125.645 -10.884 -6.790 1.00 0.00 C ATOM 0 H PHE A 148 123.266 -14.691 -5.084 1.00 0.00 H new ATOM 0 HA PHE A 148 124.962 -15.727 -7.261 1.00 0.00 H new ATOM 0 HB2 PHE A 148 125.327 -14.969 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 148 126.660 -15.349 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 148 127.188 -13.872 -7.311 1.00 0.00 H new ATOM 0 HD2 PHE A 148 124.105 -12.869 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 148 127.185 -11.537 -8.147 1.00 0.00 H new ATOM 0 HE2 PHE A 148 124.103 -10.533 -5.328 1.00 0.00 H new ATOM 0 HZ PHE A 148 125.645 -9.867 -7.152 1.00 0.00 H new