USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 95 SER OG : rot 180:sc= 0.00948 USER MOD Set 1.2: A 98 ASN : amide:sc= -0.0191 X(o=-0.0096,f=0) USER MOD Set 2.1: A 90 THR OG1 : rot 130:sc= 1.48 USER MOD Set 2.2: A 92 THR OG1 : rot 81:sc= 1.16 USER MOD Set 3.1: A 27 TYR OH : rot -12:sc= 0.753 USER MOD Set 3.2: A 57 GLN : amide:sc= -2.18 K(o=-0.31,f=1.1) USER MOD Set 3.3: A 81 THR OG1 : rot -44:sc= 1.12 USER MOD Set 4.1: A 37 THR OG1 : rot -21:sc= 0.598 USER MOD Set 4.2: A 40 HIS : no HD1:sc= 0.527 K(o=1.1,f=-0.83) USER MOD Set 5.1: A 26 TYR OH : rot 143:sc= 1.29 USER MOD Set 5.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 0.406 USER MOD Set 6.2: A 10 ASN : amide:sc= 0.267 K(o=0.67,f=-0.16) USER MOD Single : A 2 SER OG : rot 39:sc= 0.0663 USER MOD Single : A 4 THR OG1 : rot 68:sc= 0.264 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 70:sc= -0.0377 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0813 X(o=-0.081,f=-0.081) USER MOD Single : A 21 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc=-0.00179 X(o=-0.0018,f=-0.0014) USER MOD Single : A 32 THR OG1 : rot -44:sc= 0.475 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 42 TYR OH : rot -157:sc= 0.561 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 68:sc= 0.00853 USER MOD Single : A 62 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.104) USER MOD Single : A 63 SER OG : rot 111:sc= 0.181 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 82 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.49) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-5.8!) USER MOD Single : A 97 ASN : amide:sc= -0.0807 X(o=-0.081,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 168:sc= 1.32 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.090 12.636 -6.468 1.00 0.00 N ATOM 16 CA SER A 2 5.386 12.995 -5.089 1.00 0.00 C ATOM 17 C SER A 2 6.888 13.267 -4.975 1.00 0.00 C ATOM 18 O SER A 2 7.681 12.701 -5.726 1.00 0.00 O ATOM 19 CB SER A 2 4.929 11.857 -4.170 1.00 0.00 C ATOM 20 OG SER A 2 3.532 11.681 -4.274 1.00 0.00 O ATOM 0 HA SER A 2 4.853 13.896 -4.785 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.441 10.933 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.199 12.081 -3.138 1.00 0.00 H new ATOM 0 HG SER A 2 3.257 11.794 -5.208 1.00 0.00 H new ATOM 26 N ALA A 3 7.256 14.148 -4.035 1.00 0.00 N ATOM 27 CA ALA A 3 8.614 14.612 -3.767 1.00 0.00 C ATOM 28 C ALA A 3 8.924 15.617 -4.873 1.00 0.00 C ATOM 29 O ALA A 3 9.837 15.409 -5.672 1.00 0.00 O ATOM 30 CB ALA A 3 9.650 13.480 -3.679 1.00 0.00 C ATOM 0 H ALA A 3 6.573 14.576 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 3 8.676 15.071 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.634 13.903 -3.478 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.376 12.798 -2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.675 12.935 -4.623 1.00 0.00 H new ATOM 36 N THR A 4 8.153 16.715 -4.897 1.00 0.00 N ATOM 37 CA THR A 4 8.266 17.765 -5.900 1.00 0.00 C ATOM 38 C THR A 4 8.925 19.019 -5.322 1.00 0.00 C ATOM 39 O THR A 4 8.910 19.240 -4.113 1.00 0.00 O ATOM 40 CB THR A 4 6.884 18.026 -6.536 1.00 0.00 C ATOM 41 OG1 THR A 4 7.041 18.756 -7.733 1.00 0.00 O ATOM 42 CG2 THR A 4 5.896 18.778 -5.637 1.00 0.00 C ATOM 0 H THR A 4 7.425 16.893 -4.206 1.00 0.00 H new ATOM 0 HA THR A 4 8.929 17.437 -6.701 1.00 0.00 H new ATOM 0 HB THR A 4 6.458 17.038 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.486 18.195 -8.402 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.954 18.916 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.720 18.202 -4.728 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.311 19.752 -5.375 1.00 0.00 H new ATOM 50 N THR A 5 9.517 19.834 -6.202 1.00 0.00 N ATOM 51 CA THR A 5 10.175 21.080 -5.886 1.00 0.00 C ATOM 52 C THR A 5 9.608 22.062 -6.908 1.00 0.00 C ATOM 53 O THR A 5 9.860 21.941 -8.106 1.00 0.00 O ATOM 54 CB THR A 5 11.702 20.873 -5.930 1.00 0.00 C ATOM 55 OG1 THR A 5 12.189 20.759 -4.609 1.00 0.00 O ATOM 56 CG2 THR A 5 12.456 21.993 -6.642 1.00 0.00 C ATOM 0 H THR A 5 9.545 19.621 -7.199 1.00 0.00 H new ATOM 0 HA THR A 5 9.996 21.467 -4.883 1.00 0.00 H new ATOM 0 HB THR A 5 11.877 19.963 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.160 20.625 -4.629 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.524 21.776 -6.632 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.110 22.066 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.273 22.938 -6.130 1.00 0.00 H new ATOM 64 N CYS A 6 8.824 23.026 -6.417 1.00 0.00 N ATOM 65 CA CYS A 6 8.171 24.039 -7.226 1.00 0.00 C ATOM 66 C CYS A 6 9.005 25.317 -7.236 1.00 0.00 C ATOM 67 O CYS A 6 8.658 26.300 -6.583 1.00 0.00 O ATOM 68 CB CYS A 6 6.752 24.250 -6.689 1.00 0.00 C ATOM 69 SG CYS A 6 5.551 22.941 -7.067 1.00 0.00 S ATOM 0 H CYS A 6 8.626 23.119 -5.421 1.00 0.00 H new ATOM 0 HA CYS A 6 8.090 23.719 -8.265 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.808 24.362 -5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.371 25.190 -7.087 1.00 0.00 H new ATOM 74 N GLY A 7 10.107 25.275 -7.998 1.00 0.00 N ATOM 75 CA GLY A 7 11.042 26.374 -8.177 1.00 0.00 C ATOM 76 C GLY A 7 11.947 26.543 -6.960 1.00 0.00 C ATOM 77 O GLY A 7 13.140 26.253 -7.028 1.00 0.00 O ATOM 0 H GLY A 7 10.373 24.441 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.651 26.194 -9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.490 27.298 -8.352 1.00 0.00 H new ATOM 81 N SER A 8 11.362 27.019 -5.856 1.00 0.00 N ATOM 82 CA SER A 8 12.021 27.278 -4.586 1.00 0.00 C ATOM 83 C SER A 8 11.282 26.558 -3.460 1.00 0.00 C ATOM 84 O SER A 8 11.915 25.940 -2.605 1.00 0.00 O ATOM 85 CB SER A 8 12.056 28.791 -4.346 1.00 0.00 C ATOM 86 OG SER A 8 12.668 29.081 -3.108 1.00 0.00 O ATOM 0 H SER A 8 10.367 27.243 -5.830 1.00 0.00 H new ATOM 0 HA SER A 8 13.043 26.900 -4.609 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.603 29.280 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.042 29.191 -4.360 1.00 0.00 H new ATOM 0 HG SER A 8 12.684 30.051 -2.970 1.00 0.00 H new ATOM 92 N THR A 9 9.945 26.641 -3.463 1.00 0.00 N ATOM 93 CA THR A 9 9.098 26.025 -2.456 1.00 0.00 C ATOM 94 C THR A 9 9.161 24.501 -2.597 1.00 0.00 C ATOM 95 O THR A 9 8.671 23.949 -3.580 1.00 0.00 O ATOM 96 CB THR A 9 7.659 26.553 -2.589 1.00 0.00 C ATOM 97 OG1 THR A 9 7.654 27.961 -2.715 1.00 0.00 O ATOM 98 CG2 THR A 9 6.832 26.170 -1.359 1.00 0.00 C ATOM 0 H THR A 9 9.423 27.147 -4.178 1.00 0.00 H new ATOM 0 HA THR A 9 9.454 26.285 -1.459 1.00 0.00 H new ATOM 0 HB THR A 9 7.223 26.104 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.731 28.279 -2.800 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.817 26.551 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.803 25.085 -1.263 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.286 26.601 -0.467 1.00 0.00 H new ATOM 106 N ASN A 10 9.777 23.830 -1.614 1.00 0.00 N ATOM 107 CA ASN A 10 9.927 22.382 -1.584 1.00 0.00 C ATOM 108 C ASN A 10 8.649 21.721 -1.066 1.00 0.00 C ATOM 109 O ASN A 10 7.900 22.323 -0.297 1.00 0.00 O ATOM 110 CB ASN A 10 11.134 22.017 -0.711 1.00 0.00 C ATOM 111 CG ASN A 10 11.370 20.508 -0.647 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.161 19.889 0.394 1.00 0.00 O ATOM 113 ND2 ASN A 10 11.799 19.911 -1.762 1.00 0.00 N ATOM 0 H ASN A 10 10.190 24.294 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 10 10.100 22.013 -2.595 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.025 22.505 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 10 10.980 22.401 0.297 1.00 0.00 H new ATOM 0 HD21 ASN A 10 11.965 18.905 -1.770 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.960 20.461 -2.605 1.00 0.00 H new ATOM 120 N TYR A 11 8.406 20.479 -1.506 1.00 0.00 N ATOM 121 CA TYR A 11 7.242 19.689 -1.137 1.00 0.00 C ATOM 122 C TYR A 11 7.624 18.218 -0.991 1.00 0.00 C ATOM 123 O TYR A 11 7.908 17.545 -1.982 1.00 0.00 O ATOM 124 CB TYR A 11 6.153 19.853 -2.202 1.00 0.00 C ATOM 125 CG TYR A 11 5.508 21.220 -2.209 1.00 0.00 C ATOM 126 CD1 TYR A 11 4.456 21.478 -1.319 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.951 22.229 -3.082 1.00 0.00 C ATOM 128 CE1 TYR A 11 3.852 22.741 -1.290 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.340 23.496 -3.053 1.00 0.00 C ATOM 130 CZ TYR A 11 4.299 23.756 -2.146 1.00 0.00 C ATOM 131 OH TYR A 11 3.706 24.983 -2.093 1.00 0.00 O ATOM 0 H TYR A 11 9.034 19.991 -2.144 1.00 0.00 H new ATOM 0 HA TYR A 11 6.860 20.041 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.586 19.661 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.383 19.099 -2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.110 20.700 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.758 22.032 -3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.039 22.933 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.672 24.270 -3.729 1.00 0.00 H new ATOM 0 HH TYR A 11 3.946 25.426 -1.252 1.00 0.00 H new ATOM 141 N SER A 12 7.610 17.731 0.257 1.00 0.00 N ATOM 142 CA SER A 12 7.913 16.357 0.626 1.00 0.00 C ATOM 143 C SER A 12 6.891 15.437 -0.003 1.00 0.00 C ATOM 144 O SER A 12 5.773 15.861 -0.292 1.00 0.00 O ATOM 145 CB SER A 12 7.876 16.230 2.153 1.00 0.00 C ATOM 146 OG SER A 12 8.865 17.055 2.729 1.00 0.00 O ATOM 0 H SER A 12 7.377 18.312 1.062 1.00 0.00 H new ATOM 0 HA SER A 12 8.905 16.080 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.892 16.513 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.041 15.193 2.444 1.00 0.00 H new ATOM 0 HG SER A 12 8.834 16.970 3.705 1.00 0.00 H new ATOM 152 N ALA A 13 7.279 14.176 -0.230 1.00 0.00 N ATOM 153 CA ALA A 13 6.349 13.198 -0.768 1.00 0.00 C ATOM 154 C ALA A 13 5.172 13.088 0.202 1.00 0.00 C ATOM 155 O ALA A 13 4.091 12.654 -0.185 1.00 0.00 O ATOM 156 CB ALA A 13 7.030 11.838 -0.917 1.00 0.00 C ATOM 0 H ALA A 13 8.218 13.821 -0.050 1.00 0.00 H new ATOM 0 HA ALA A 13 6.006 13.512 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.319 11.117 -1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.879 11.929 -1.594 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.378 11.497 0.058 1.00 0.00 H new ATOM 162 N SER A 14 5.401 13.504 1.459 1.00 0.00 N ATOM 163 CA SER A 14 4.398 13.492 2.505 1.00 0.00 C ATOM 164 C SER A 14 3.418 14.634 2.241 1.00 0.00 C ATOM 165 O SER A 14 2.212 14.438 2.358 1.00 0.00 O ATOM 166 CB SER A 14 5.069 13.654 3.873 1.00 0.00 C ATOM 167 OG SER A 14 5.953 12.581 4.109 1.00 0.00 O ATOM 0 H SER A 14 6.305 13.861 1.768 1.00 0.00 H new ATOM 0 HA SER A 14 3.860 12.544 2.507 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.612 14.598 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.312 13.691 4.656 1.00 0.00 H new ATOM 0 HG SER A 14 6.378 12.694 4.985 1.00 0.00 H new ATOM 173 N GLN A 15 3.934 15.817 1.874 1.00 0.00 N ATOM 174 CA GLN A 15 3.143 17.003 1.604 1.00 0.00 C ATOM 175 C GLN A 15 2.285 16.856 0.345 1.00 0.00 C ATOM 176 O GLN A 15 1.094 17.163 0.379 1.00 0.00 O ATOM 177 CB GLN A 15 4.074 18.222 1.550 1.00 0.00 C ATOM 178 CG GLN A 15 3.311 19.547 1.667 1.00 0.00 C ATOM 179 CD GLN A 15 2.682 19.775 3.040 1.00 0.00 C ATOM 180 OE1 GLN A 15 1.461 19.757 3.177 1.00 0.00 O ATOM 181 NE2 GLN A 15 3.515 20.002 4.060 1.00 0.00 N ATOM 0 H GLN A 15 4.936 15.967 1.757 1.00 0.00 H new ATOM 0 HA GLN A 15 2.429 17.147 2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.804 18.154 2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.632 18.209 0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.993 20.369 1.449 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.528 19.573 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.523 20.008 3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.143 20.169 4.995 1.00 0.00 H new ATOM 190 N VAL A 16 2.884 16.377 -0.753 1.00 0.00 N ATOM 191 CA VAL A 16 2.213 16.188 -2.040 1.00 0.00 C ATOM 192 C VAL A 16 1.054 15.205 -1.864 1.00 0.00 C ATOM 193 O VAL A 16 -0.082 15.501 -2.229 1.00 0.00 O ATOM 194 CB VAL A 16 3.147 15.632 -3.132 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.388 15.504 -4.460 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.344 16.558 -3.355 1.00 0.00 C ATOM 0 H VAL A 16 3.867 16.106 -0.769 1.00 0.00 H new ATOM 0 HA VAL A 16 1.868 17.171 -2.361 1.00 0.00 H new ATOM 0 HB VAL A 16 3.499 14.656 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.057 15.110 -5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.544 14.826 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.023 16.484 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.987 16.142 -4.131 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.991 17.541 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.909 16.652 -2.428 1.00 0.00 H new ATOM 206 N ARG A 17 1.370 14.038 -1.285 1.00 0.00 N ATOM 207 CA ARG A 17 0.445 12.939 -1.057 1.00 0.00 C ATOM 208 C ARG A 17 -0.645 13.278 -0.049 1.00 0.00 C ATOM 209 O ARG A 17 -1.783 12.868 -0.243 1.00 0.00 O ATOM 210 CB ARG A 17 1.231 11.697 -0.622 1.00 0.00 C ATOM 211 CG ARG A 17 0.348 10.447 -0.577 1.00 0.00 C ATOM 212 CD ARG A 17 1.171 9.231 -0.143 1.00 0.00 C ATOM 213 NE ARG A 17 0.337 8.026 -0.051 1.00 0.00 N ATOM 214 CZ ARG A 17 -0.532 7.757 0.938 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.676 8.587 1.982 1.00 0.00 N ATOM 216 NH2 ARG A 17 -1.269 6.639 0.878 1.00 0.00 N ATOM 0 H ARG A 17 2.313 13.835 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.071 12.739 -1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.059 11.532 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.666 11.869 0.362 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.478 10.602 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.090 10.267 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.979 9.063 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.635 9.429 0.823 1.00 0.00 H new ATOM 0 HE ARG A 17 0.424 7.337 -0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.120 9.441 2.035 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.341 8.364 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.167 6.003 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.932 6.425 1.623 1.00 0.00 H new ATOM 230 N ALA A 18 -0.318 14.012 1.021 1.00 0.00 N ATOM 231 CA ALA A 18 -1.303 14.365 2.036 1.00 0.00 C ATOM 232 C ALA A 18 -2.380 15.244 1.410 1.00 0.00 C ATOM 233 O ALA A 18 -3.573 14.952 1.513 1.00 0.00 O ATOM 234 CB ALA A 18 -0.635 15.069 3.218 1.00 0.00 C ATOM 0 H ALA A 18 0.620 14.370 1.201 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.767 13.456 2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.389 15.323 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.107 14.407 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.147 15.979 2.871 1.00 0.00 H new ATOM 240 N ALA A 19 -1.939 16.319 0.748 1.00 0.00 N ATOM 241 CA ALA A 19 -2.837 17.242 0.085 1.00 0.00 C ATOM 242 C ALA A 19 -3.615 16.529 -1.018 1.00 0.00 C ATOM 243 O ALA A 19 -4.759 16.888 -1.272 1.00 0.00 O ATOM 244 CB ALA A 19 -2.070 18.448 -0.458 1.00 0.00 C ATOM 0 H ALA A 19 -0.953 16.564 0.663 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.557 17.613 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.764 19.128 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.577 18.966 0.365 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.321 18.110 -1.174 1.00 0.00 H new ATOM 250 N ALA A 20 -3.010 15.526 -1.676 1.00 0.00 N ATOM 251 CA ALA A 20 -3.690 14.780 -2.724 1.00 0.00 C ATOM 252 C ALA A 20 -4.717 13.805 -2.176 1.00 0.00 C ATOM 253 O ALA A 20 -5.722 13.559 -2.840 1.00 0.00 O ATOM 254 CB ALA A 20 -2.701 14.130 -3.691 1.00 0.00 C ATOM 0 H ALA A 20 -2.054 15.221 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.260 15.502 -3.308 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.249 13.583 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.091 14.902 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.057 13.441 -3.144 1.00 0.00 H new ATOM 260 N ASN A 21 -4.478 13.240 -0.990 1.00 0.00 N ATOM 261 CA ASN A 21 -5.437 12.347 -0.363 1.00 0.00 C ATOM 262 C ASN A 21 -6.631 13.213 0.062 1.00 0.00 C ATOM 263 O ASN A 21 -7.753 12.710 0.176 1.00 0.00 O ATOM 264 CB ASN A 21 -4.815 11.628 0.839 1.00 0.00 C ATOM 265 CG ASN A 21 -3.850 10.513 0.432 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.378 10.460 -0.703 1.00 0.00 O ATOM 267 ND2 ASN A 21 -3.565 9.606 1.369 1.00 0.00 N ATOM 0 H ASN A 21 -3.626 13.389 -0.450 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.754 11.567 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.284 12.354 1.455 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.610 11.207 1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.935 8.833 1.156 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.977 9.686 2.298 1.00 0.00 H new ATOM 274 N ALA A 22 -6.388 14.523 0.274 1.00 0.00 N ATOM 275 CA ALA A 22 -7.435 15.441 0.696 1.00 0.00 C ATOM 276 C ALA A 22 -8.233 15.677 -0.573 1.00 0.00 C ATOM 277 O ALA A 22 -9.400 15.310 -0.625 1.00 0.00 O ATOM 278 CB ALA A 22 -6.866 16.717 1.322 1.00 0.00 C ATOM 0 H ALA A 22 -5.472 14.957 0.157 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.063 15.043 1.493 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.684 17.372 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.269 16.458 2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.238 17.231 0.594 1.00 0.00 H new ATOM 284 N ALA A 23 -7.587 16.279 -1.582 1.00 0.00 N ATOM 285 CA ALA A 23 -8.147 16.540 -2.906 1.00 0.00 C ATOM 286 C ALA A 23 -8.970 15.361 -3.436 1.00 0.00 C ATOM 287 O ALA A 23 -10.009 15.572 -4.047 1.00 0.00 O ATOM 288 CB ALA A 23 -7.010 16.811 -3.896 1.00 0.00 C ATOM 0 H ALA A 23 -6.626 16.607 -1.490 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.806 17.403 -2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.427 17.006 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.439 17.679 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.354 15.942 -3.944 1.00 0.00 H new ATOM 294 N CYS A 24 -8.498 14.127 -3.212 1.00 0.00 N ATOM 295 CA CYS A 24 -9.147 12.891 -3.624 1.00 0.00 C ATOM 296 C CYS A 24 -10.522 12.771 -2.967 1.00 0.00 C ATOM 297 O CYS A 24 -11.537 12.770 -3.661 1.00 0.00 O ATOM 298 CB CYS A 24 -8.236 11.709 -3.255 1.00 0.00 C ATOM 299 SG CYS A 24 -8.995 10.072 -3.051 1.00 0.00 S ATOM 0 H CYS A 24 -7.620 13.964 -2.720 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.304 12.889 -4.703 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.469 11.627 -4.025 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.727 11.959 -2.324 1.00 0.00 H new ATOM 304 N GLN A 25 -10.552 12.681 -1.631 1.00 0.00 N ATOM 305 CA GLN A 25 -11.795 12.542 -0.880 1.00 0.00 C ATOM 306 C GLN A 25 -12.700 13.782 -0.964 1.00 0.00 C ATOM 307 O GLN A 25 -13.913 13.669 -0.797 1.00 0.00 O ATOM 308 CB GLN A 25 -11.457 12.247 0.589 1.00 0.00 C ATOM 309 CG GLN A 25 -10.728 10.906 0.755 1.00 0.00 C ATOM 310 CD GLN A 25 -10.332 10.669 2.212 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.151 10.719 2.550 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.317 10.407 3.076 1.00 0.00 N ATOM 0 H GLN A 25 -9.716 12.703 -1.047 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.354 11.721 -1.328 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.835 13.049 0.986 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.375 12.235 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.371 10.095 0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -9.837 10.893 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.284 10.375 2.753 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.102 10.239 4.059 1.00 0.00 H new ATOM 321 N TYR A 26 -12.115 14.953 -1.237 1.00 0.00 N ATOM 322 CA TYR A 26 -12.798 16.234 -1.311 1.00 0.00 C ATOM 323 C TYR A 26 -13.479 16.486 -2.657 1.00 0.00 C ATOM 324 O TYR A 26 -14.628 16.924 -2.688 1.00 0.00 O ATOM 325 CB TYR A 26 -11.793 17.354 -0.993 1.00 0.00 C ATOM 326 CG TYR A 26 -11.371 17.528 0.465 1.00 0.00 C ATOM 327 CD1 TYR A 26 -11.283 16.448 1.372 1.00 0.00 C ATOM 328 CD2 TYR A 26 -11.075 18.825 0.922 1.00 0.00 C ATOM 329 CE1 TYR A 26 -10.900 16.664 2.705 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.704 19.041 2.260 1.00 0.00 C ATOM 331 CZ TYR A 26 -10.621 17.963 3.155 1.00 0.00 C ATOM 332 OH TYR A 26 -10.262 18.173 4.455 1.00 0.00 O ATOM 0 H TYR A 26 -11.114 15.030 -1.418 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.601 16.220 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.895 17.178 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -12.220 18.297 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.512 15.447 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.133 19.660 0.240 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.820 15.829 3.385 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.482 20.041 2.601 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.581 18.876 4.497 1.00 0.00 H new ATOM 342 N TYR A 27 -12.779 16.204 -3.760 1.00 0.00 N ATOM 343 CA TYR A 27 -13.264 16.413 -5.118 1.00 0.00 C ATOM 344 C TYR A 27 -14.444 15.504 -5.467 1.00 0.00 C ATOM 345 O TYR A 27 -15.276 15.888 -6.288 1.00 0.00 O ATOM 346 CB TYR A 27 -12.108 16.216 -6.122 1.00 0.00 C ATOM 347 CG TYR A 27 -12.558 16.215 -7.571 1.00 0.00 C ATOM 348 CD1 TYR A 27 -12.979 14.997 -8.141 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.581 17.393 -8.347 1.00 0.00 C ATOM 350 CE1 TYR A 27 -13.426 14.945 -9.466 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.030 17.328 -9.671 1.00 0.00 C ATOM 352 CZ TYR A 27 -13.455 16.118 -10.237 1.00 0.00 C ATOM 353 OH TYR A 27 -13.897 16.098 -11.528 1.00 0.00 O ATOM 0 H TYR A 27 -11.837 15.815 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.631 17.437 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.374 17.009 -5.978 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.606 15.273 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.956 14.094 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.256 18.333 -7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -13.747 14.007 -9.894 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.049 18.228 -10.268 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.977 15.170 -11.832 1.00 0.00 H new ATOM 363 N GLN A 28 -14.540 14.320 -4.850 1.00 0.00 N ATOM 364 CA GLN A 28 -15.599 13.377 -5.156 1.00 0.00 C ATOM 365 C GLN A 28 -16.921 13.830 -4.552 1.00 0.00 C ATOM 366 O GLN A 28 -17.847 14.144 -5.299 1.00 0.00 O ATOM 367 CB GLN A 28 -15.189 11.963 -4.722 1.00 0.00 C ATOM 368 CG GLN A 28 -14.028 11.465 -5.595 1.00 0.00 C ATOM 369 CD GLN A 28 -13.603 10.045 -5.237 1.00 0.00 C ATOM 370 OE1 GLN A 28 -13.183 9.787 -4.109 1.00 0.00 O ATOM 371 NE2 GLN A 28 -13.705 9.121 -6.198 1.00 0.00 N ATOM 0 H GLN A 28 -13.889 14.000 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.755 13.345 -6.234 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.891 11.967 -3.673 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.038 11.285 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.324 11.500 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.177 12.136 -5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.059 9.380 -7.119 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -13.429 8.157 -6.010 1.00 0.00 H new ATOM 380 N ASN A 29 -17.003 13.880 -3.218 1.00 0.00 N ATOM 381 CA ASN A 29 -18.235 14.271 -2.532 1.00 0.00 C ATOM 382 C ASN A 29 -18.077 14.442 -1.018 1.00 0.00 C ATOM 383 O ASN A 29 -18.800 15.249 -0.433 1.00 0.00 O ATOM 384 CB ASN A 29 -19.335 13.221 -2.794 1.00 0.00 C ATOM 385 CG ASN A 29 -20.689 13.634 -2.216 1.00 0.00 C ATOM 386 OD1 ASN A 29 -21.426 14.393 -2.843 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.024 13.131 -1.025 1.00 0.00 N ATOM 0 H ASN A 29 -16.229 13.654 -2.593 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.506 15.245 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -19.435 13.064 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.034 12.268 -2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.920 13.373 -0.603 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.384 12.504 -0.538 1.00 0.00 H new ATOM 394 N ASP A 30 -17.149 13.714 -0.381 1.00 0.00 N ATOM 395 CA ASP A 30 -16.941 13.751 1.064 1.00 0.00 C ATOM 396 C ASP A 30 -16.218 14.987 1.622 1.00 0.00 C ATOM 397 O ASP A 30 -15.413 14.862 2.544 1.00 0.00 O ATOM 398 CB ASP A 30 -16.290 12.422 1.488 1.00 0.00 C ATOM 399 CG ASP A 30 -16.411 12.152 2.986 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.565 12.059 3.457 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.347 12.038 3.634 1.00 0.00 O ATOM 0 H ASP A 30 -16.517 13.077 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.923 13.861 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -16.755 11.604 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.236 12.435 1.210 1.00 0.00 H new ATOM 406 N ASP A 31 -16.522 16.170 1.072 1.00 0.00 N ATOM 407 CA ASP A 31 -15.994 17.481 1.446 1.00 0.00 C ATOM 408 C ASP A 31 -16.403 18.541 0.421 1.00 0.00 C ATOM 409 O ASP A 31 -16.913 18.219 -0.652 1.00 0.00 O ATOM 410 CB ASP A 31 -14.465 17.511 1.640 1.00 0.00 C ATOM 411 CG ASP A 31 -14.083 18.191 2.951 1.00 0.00 C ATOM 412 OD1 ASP A 31 -14.167 19.438 2.989 1.00 0.00 O ATOM 413 OD2 ASP A 31 -13.719 17.454 3.893 1.00 0.00 O ATOM 0 H ASP A 31 -17.188 16.237 0.303 1.00 0.00 H new ATOM 0 HA ASP A 31 -16.435 17.705 2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -14.075 16.493 1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.001 18.038 0.806 1.00 0.00 H new ATOM 418 N THR A 32 -16.158 19.811 0.773 1.00 0.00 N ATOM 419 CA THR A 32 -16.447 20.984 -0.043 1.00 0.00 C ATOM 420 C THR A 32 -15.578 22.173 0.403 1.00 0.00 C ATOM 421 O THR A 32 -16.027 23.319 0.399 1.00 0.00 O ATOM 422 CB THR A 32 -17.959 21.262 -0.054 1.00 0.00 C ATOM 423 OG1 THR A 32 -18.277 22.332 -0.920 1.00 0.00 O ATOM 424 CG2 THR A 32 -18.474 21.548 1.352 1.00 0.00 C ATOM 0 H THR A 32 -15.737 20.052 1.670 1.00 0.00 H new ATOM 0 HA THR A 32 -16.175 20.800 -1.082 1.00 0.00 H new ATOM 0 HB THR A 32 -18.453 20.364 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 32 -17.633 23.060 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.546 21.741 1.315 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.283 20.687 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.962 22.421 1.756 1.00 0.00 H new ATOM 432 N ALA A 33 -14.320 21.906 0.783 1.00 0.00 N ATOM 433 CA ALA A 33 -13.381 22.921 1.248 1.00 0.00 C ATOM 434 C ALA A 33 -12.766 23.703 0.085 1.00 0.00 C ATOM 435 O ALA A 33 -12.748 23.230 -1.050 1.00 0.00 O ATOM 436 CB ALA A 33 -12.274 22.257 2.067 1.00 0.00 C ATOM 0 H ALA A 33 -13.927 20.965 0.774 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.932 23.628 1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -11.573 23.016 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.712 21.748 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.747 21.533 1.446 1.00 0.00 H new ATOM 442 N GLY A 34 -12.253 24.903 0.389 1.00 0.00 N ATOM 443 CA GLY A 34 -11.617 25.799 -0.562 1.00 0.00 C ATOM 444 C GLY A 34 -11.939 27.247 -0.197 1.00 0.00 C ATOM 445 O GLY A 34 -11.900 27.612 0.978 1.00 0.00 O ATOM 0 H GLY A 34 -12.274 25.281 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.538 25.644 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.966 25.582 -1.571 1.00 0.00 H new ATOM 449 N SER A 35 -12.246 28.065 -1.211 1.00 0.00 N ATOM 450 CA SER A 35 -12.599 29.469 -1.063 1.00 0.00 C ATOM 451 C SER A 35 -13.643 29.819 -2.121 1.00 0.00 C ATOM 452 O SER A 35 -14.796 30.077 -1.781 1.00 0.00 O ATOM 453 CB SER A 35 -11.345 30.345 -1.163 1.00 0.00 C ATOM 454 OG SER A 35 -11.696 31.707 -1.035 1.00 0.00 O ATOM 0 H SER A 35 -12.254 27.753 -2.182 1.00 0.00 H new ATOM 0 HA SER A 35 -13.030 29.657 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.635 30.069 -0.383 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.849 30.177 -2.119 1.00 0.00 H new ATOM 0 HG SER A 35 -10.889 32.260 -1.098 1.00 0.00 H new ATOM 460 N SER A 36 -13.237 29.826 -3.399 1.00 0.00 N ATOM 461 CA SER A 36 -14.120 30.117 -4.517 1.00 0.00 C ATOM 462 C SER A 36 -14.841 28.815 -4.858 1.00 0.00 C ATOM 463 O SER A 36 -15.868 28.522 -4.248 1.00 0.00 O ATOM 464 CB SER A 36 -13.317 30.708 -5.685 1.00 0.00 C ATOM 465 OG SER A 36 -12.781 31.958 -5.307 1.00 0.00 O ATOM 0 H SER A 36 -12.276 29.627 -3.679 1.00 0.00 H new ATOM 0 HA SER A 36 -14.866 30.874 -4.273 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.514 30.028 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.959 30.825 -6.558 1.00 0.00 H new ATOM 0 HG SER A 36 -12.268 32.333 -6.053 1.00 0.00 H new ATOM 471 N THR A 37 -14.316 28.036 -5.817 1.00 0.00 N ATOM 472 CA THR A 37 -14.889 26.758 -6.214 1.00 0.00 C ATOM 473 C THR A 37 -13.784 25.731 -6.488 1.00 0.00 C ATOM 474 O THR A 37 -13.880 24.974 -7.451 1.00 0.00 O ATOM 475 CB THR A 37 -15.886 26.905 -7.382 1.00 0.00 C ATOM 476 OG1 THR A 37 -15.252 27.429 -8.527 1.00 0.00 O ATOM 477 CG2 THR A 37 -17.080 27.795 -7.026 1.00 0.00 C ATOM 0 H THR A 37 -13.475 28.285 -6.338 1.00 0.00 H new ATOM 0 HA THR A 37 -15.478 26.376 -5.380 1.00 0.00 H new ATOM 0 HB THR A 37 -16.256 25.901 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.429 27.891 -8.263 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.750 27.865 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 37 -17.616 27.364 -6.180 1.00 0.00 H new ATOM 0 HG23 THR A 37 -16.725 28.791 -6.761 1.00 0.00 H new ATOM 485 N TYR A 38 -12.729 25.713 -5.654 1.00 0.00 N ATOM 486 CA TYR A 38 -11.627 24.759 -5.762 1.00 0.00 C ATOM 487 C TYR A 38 -12.125 23.495 -5.072 1.00 0.00 C ATOM 488 O TYR A 38 -12.645 23.581 -3.960 1.00 0.00 O ATOM 489 CB TYR A 38 -10.332 25.297 -5.127 1.00 0.00 C ATOM 490 CG TYR A 38 -9.679 26.455 -5.868 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.166 27.761 -5.670 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.589 26.247 -6.746 1.00 0.00 C ATOM 493 CE1 TYR A 38 -9.587 28.847 -6.351 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.015 27.332 -7.426 1.00 0.00 C ATOM 495 CZ TYR A 38 -8.516 28.631 -7.238 1.00 0.00 C ATOM 496 OH TYR A 38 -7.961 29.684 -7.905 1.00 0.00 O ATOM 0 H TYR A 38 -12.623 26.370 -4.881 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.362 24.568 -6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.551 25.616 -4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.614 24.480 -5.057 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.989 27.930 -4.991 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.198 25.251 -6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.964 29.847 -6.193 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.185 27.168 -8.097 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.232 29.362 -8.476 1.00 0.00 H new ATOM 506 N PRO A 39 -11.974 22.316 -5.695 1.00 0.00 N ATOM 507 CA PRO A 39 -11.317 22.057 -6.976 1.00 0.00 C ATOM 508 C PRO A 39 -12.056 22.653 -8.194 1.00 0.00 C ATOM 509 O PRO A 39 -13.227 22.358 -8.426 1.00 0.00 O ATOM 510 CB PRO A 39 -11.188 20.540 -7.035 1.00 0.00 C ATOM 511 CG PRO A 39 -12.383 20.058 -6.212 1.00 0.00 C ATOM 512 CD PRO A 39 -12.458 21.088 -5.100 1.00 0.00 C ATOM 0 HA PRO A 39 -10.349 22.554 -7.031 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.230 20.171 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.243 20.199 -6.612 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.298 20.033 -6.803 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.227 19.052 -5.823 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.479 21.202 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.846 20.794 -4.248 1.00 0.00 H new ATOM 520 N HIS A 40 -11.329 23.485 -8.963 1.00 0.00 N ATOM 521 CA HIS A 40 -11.756 24.242 -10.143 1.00 0.00 C ATOM 522 C HIS A 40 -11.555 23.496 -11.457 1.00 0.00 C ATOM 523 O HIS A 40 -10.619 22.718 -11.588 1.00 0.00 O ATOM 524 CB HIS A 40 -10.922 25.540 -10.208 1.00 0.00 C ATOM 525 CG HIS A 40 -11.683 26.814 -9.970 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.275 27.532 -10.999 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.956 27.526 -8.829 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.855 28.611 -10.447 1.00 0.00 C ATOM 529 NE2 HIS A 40 -12.691 28.669 -9.123 1.00 0.00 N ATOM 0 H HIS A 40 -10.346 23.656 -8.753 1.00 0.00 H new ATOM 0 HA HIS A 40 -12.825 24.425 -10.033 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.121 25.473 -9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -10.449 25.598 -11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.642 27.237 -7.837 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -13.397 29.353 -11.014 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -13.027 29.385 -8.478 1.00 0.00 H new ATOM 537 N THR A 41 -12.433 23.749 -12.438 1.00 0.00 N ATOM 538 CA THR A 41 -12.374 23.138 -13.761 1.00 0.00 C ATOM 539 C THR A 41 -11.066 23.539 -14.444 1.00 0.00 C ATOM 540 O THR A 41 -10.890 24.716 -14.759 1.00 0.00 O ATOM 541 CB THR A 41 -13.606 23.523 -14.606 1.00 0.00 C ATOM 542 OG1 THR A 41 -14.310 24.615 -14.049 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.544 22.321 -14.744 1.00 0.00 C ATOM 0 H THR A 41 -13.214 24.395 -12.326 1.00 0.00 H new ATOM 0 HA THR A 41 -12.393 22.053 -13.659 1.00 0.00 H new ATOM 0 HB THR A 41 -13.246 23.826 -15.589 1.00 0.00 H new ATOM 0 HG1 THR A 41 -15.082 24.829 -14.614 1.00 0.00 H new ATOM 0 HG21 THR A 41 -15.411 22.603 -15.342 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.016 21.502 -15.233 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.874 22.001 -13.755 1.00 0.00 H new ATOM 551 N TYR A 42 -10.164 22.570 -14.683 1.00 0.00 N ATOM 552 CA TYR A 42 -8.878 22.857 -15.306 1.00 0.00 C ATOM 553 C TYR A 42 -8.961 22.620 -16.814 1.00 0.00 C ATOM 554 O TYR A 42 -8.716 21.516 -17.292 1.00 0.00 O ATOM 555 CB TYR A 42 -7.739 22.065 -14.646 1.00 0.00 C ATOM 556 CG TYR A 42 -6.356 22.487 -15.119 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.904 23.800 -14.882 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.524 21.582 -15.805 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.633 24.204 -15.326 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.253 21.987 -16.251 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.806 23.297 -16.011 1.00 0.00 C ATOM 562 OH TYR A 42 -2.569 23.689 -16.434 1.00 0.00 O ATOM 0 H TYR A 42 -10.310 21.587 -14.452 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.641 23.909 -15.149 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.799 22.190 -13.565 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.877 21.004 -14.853 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.537 24.500 -14.357 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.863 20.573 -15.989 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.292 25.212 -15.141 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.620 21.290 -16.779 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.278 23.113 -17.172 1.00 0.00 H new ATOM 572 N ASN A 43 -9.319 23.678 -17.549 1.00 0.00 N ATOM 573 CA ASN A 43 -9.441 23.674 -18.997 1.00 0.00 C ATOM 574 C ASN A 43 -9.270 25.114 -19.479 1.00 0.00 C ATOM 575 O ASN A 43 -10.050 25.985 -19.096 1.00 0.00 O ATOM 576 CB ASN A 43 -10.801 23.096 -19.413 1.00 0.00 C ATOM 577 CG ASN A 43 -10.980 23.069 -20.932 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.009 22.961 -21.679 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.230 23.168 -21.394 1.00 0.00 N ATOM 0 H ASN A 43 -9.537 24.584 -17.133 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.676 23.044 -19.451 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.899 22.084 -19.020 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.598 23.690 -18.966 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.405 23.155 -22.399 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.009 23.256 -20.742 1.00 0.00 H new ATOM 586 N ASN A 44 -8.246 25.356 -20.307 1.00 0.00 N ATOM 587 CA ASN A 44 -7.921 26.669 -20.849 1.00 0.00 C ATOM 588 C ASN A 44 -7.781 26.569 -22.369 1.00 0.00 C ATOM 589 O ASN A 44 -8.708 26.931 -23.092 1.00 0.00 O ATOM 590 CB ASN A 44 -6.654 27.208 -20.166 1.00 0.00 C ATOM 591 CG ASN A 44 -6.862 27.411 -18.665 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.307 28.473 -18.237 1.00 0.00 O ATOM 593 ND2 ASN A 44 -6.535 26.393 -17.861 1.00 0.00 N ATOM 0 H ASN A 44 -7.610 24.624 -20.622 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.721 27.380 -20.644 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.830 26.513 -20.328 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.368 28.154 -20.625 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.652 26.482 -16.852 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.168 25.528 -18.257 1.00 0.00 H new ATOM 600 N TYR A 45 -6.625 26.090 -22.847 1.00 0.00 N ATOM 601 CA TYR A 45 -6.316 25.913 -24.262 1.00 0.00 C ATOM 602 C TYR A 45 -5.470 24.650 -24.484 1.00 0.00 C ATOM 603 O TYR A 45 -4.951 24.455 -25.582 1.00 0.00 O ATOM 604 CB TYR A 45 -5.567 27.148 -24.784 1.00 0.00 C ATOM 605 CG TYR A 45 -6.267 28.473 -24.545 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.301 28.890 -25.402 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.893 29.286 -23.456 1.00 0.00 C ATOM 608 CE1 TYR A 45 -7.952 30.117 -25.179 1.00 0.00 C ATOM 609 CE2 TYR A 45 -6.545 30.510 -23.232 1.00 0.00 C ATOM 610 CZ TYR A 45 -7.571 30.929 -24.097 1.00 0.00 C ATOM 611 OH TYR A 45 -8.201 32.121 -23.883 1.00 0.00 O ATOM 0 H TYR A 45 -5.859 25.808 -22.236 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.251 25.796 -24.811 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.584 27.184 -24.314 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.404 27.029 -25.855 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.596 28.267 -26.233 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.103 28.967 -22.792 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.745 30.435 -25.840 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.258 31.129 -22.395 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.817 32.557 -23.093 1.00 0.00 H new ATOM 621 N GLU A 46 -5.338 23.796 -23.456 1.00 0.00 N ATOM 622 CA GLU A 46 -4.556 22.565 -23.480 1.00 0.00 C ATOM 623 C GLU A 46 -3.108 22.852 -23.887 1.00 0.00 C ATOM 624 O GLU A 46 -2.547 22.178 -24.749 1.00 0.00 O ATOM 625 CB GLU A 46 -5.232 21.496 -24.354 1.00 0.00 C ATOM 626 CG GLU A 46 -6.663 21.220 -23.880 1.00 0.00 C ATOM 627 CD GLU A 46 -7.288 20.069 -24.664 1.00 0.00 C ATOM 628 OE1 GLU A 46 -7.000 18.909 -24.297 1.00 0.00 O ATOM 629 OE2 GLU A 46 -8.038 20.371 -25.618 1.00 0.00 O ATOM 0 H GLU A 46 -5.792 23.956 -22.557 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.519 22.151 -22.472 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.247 21.827 -25.392 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.651 20.574 -24.322 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.657 20.979 -22.817 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.269 22.118 -24.001 1.00 0.00 H new ATOM 636 N GLY A 47 -2.520 23.873 -23.251 1.00 0.00 N ATOM 637 CA GLY A 47 -1.153 24.319 -23.463 1.00 0.00 C ATOM 638 C GLY A 47 -0.210 23.742 -22.406 1.00 0.00 C ATOM 639 O GLY A 47 0.959 23.496 -22.699 1.00 0.00 O ATOM 0 H GLY A 47 -3.010 24.427 -22.549 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.819 24.016 -24.455 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.115 25.408 -23.432 1.00 0.00 H new ATOM 643 N PHE A 48 -0.726 23.524 -21.186 1.00 0.00 N ATOM 644 CA PHE A 48 0.013 22.998 -20.048 1.00 0.00 C ATOM 645 C PHE A 48 -0.755 21.798 -19.486 1.00 0.00 C ATOM 646 O PHE A 48 -1.662 21.965 -18.671 1.00 0.00 O ATOM 647 CB PHE A 48 0.214 24.137 -19.031 1.00 0.00 C ATOM 648 CG PHE A 48 1.577 24.149 -18.372 1.00 0.00 C ATOM 649 CD1 PHE A 48 1.812 23.429 -17.187 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.619 24.891 -18.961 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.083 23.465 -16.586 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.887 24.925 -18.360 1.00 0.00 C ATOM 653 CZ PHE A 48 4.118 24.215 -17.170 1.00 0.00 C ATOM 0 H PHE A 48 -1.703 23.719 -20.967 1.00 0.00 H new ATOM 0 HA PHE A 48 1.005 22.640 -20.325 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.059 25.091 -19.535 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.550 24.057 -18.258 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.018 22.850 -16.739 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.442 25.435 -19.877 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.264 22.915 -15.674 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.684 25.496 -18.812 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.092 24.246 -16.704 1.00 0.00 H new ATOM 663 N ASP A 49 -0.389 20.591 -19.939 1.00 0.00 N ATOM 664 CA ASP A 49 -1.015 19.332 -19.543 1.00 0.00 C ATOM 665 C ASP A 49 -0.013 18.398 -18.861 1.00 0.00 C ATOM 666 O ASP A 49 1.149 18.755 -18.663 1.00 0.00 O ATOM 667 CB ASP A 49 -1.651 18.674 -20.775 1.00 0.00 C ATOM 668 CG ASP A 49 -2.648 19.608 -21.459 1.00 0.00 C ATOM 669 OD1 ASP A 49 -3.703 19.868 -20.842 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.332 20.051 -22.586 1.00 0.00 O ATOM 0 H ASP A 49 0.371 20.465 -20.608 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.795 19.539 -18.810 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.870 18.393 -21.482 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.157 17.756 -20.477 1.00 0.00 H new ATOM 675 N PHE A 50 -0.486 17.197 -18.499 1.00 0.00 N ATOM 676 CA PHE A 50 0.265 16.151 -17.814 1.00 0.00 C ATOM 677 C PHE A 50 -0.111 14.790 -18.435 1.00 0.00 C ATOM 678 O PHE A 50 -0.983 14.762 -19.304 1.00 0.00 O ATOM 679 CB PHE A 50 -0.065 16.248 -16.311 1.00 0.00 C ATOM 680 CG PHE A 50 -0.481 17.628 -15.827 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.500 18.606 -15.597 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.838 17.942 -15.625 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.133 19.889 -15.163 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.206 19.223 -15.183 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.222 20.198 -14.948 1.00 0.00 C ATOM 0 H PHE A 50 -1.450 16.922 -18.688 1.00 0.00 H new ATOM 0 HA PHE A 50 1.343 16.264 -17.928 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.866 15.545 -16.085 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.809 15.929 -15.742 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.542 18.370 -15.755 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.597 17.197 -15.810 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.891 20.639 -14.994 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.248 19.459 -15.023 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.505 21.182 -14.603 1.00 0.00 H new ATOM 695 N PRO A 51 0.513 13.659 -18.041 1.00 0.00 N ATOM 696 CA PRO A 51 0.214 12.341 -18.597 1.00 0.00 C ATOM 697 C PRO A 51 -1.098 11.773 -18.031 1.00 0.00 C ATOM 698 O PRO A 51 -1.090 10.787 -17.295 1.00 0.00 O ATOM 699 CB PRO A 51 1.431 11.483 -18.235 1.00 0.00 C ATOM 700 CG PRO A 51 1.832 12.048 -16.876 1.00 0.00 C ATOM 701 CD PRO A 51 1.572 13.545 -17.047 1.00 0.00 C ATOM 0 HA PRO A 51 0.055 12.371 -19.675 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.180 10.424 -18.177 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.231 11.581 -18.969 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.236 11.623 -16.068 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.877 11.842 -16.644 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.271 13.999 -16.103 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.473 14.062 -17.376 1.00 0.00 H new ATOM 709 N VAL A 52 -2.225 12.400 -18.393 1.00 0.00 N ATOM 710 CA VAL A 52 -3.572 12.030 -17.982 1.00 0.00 C ATOM 711 C VAL A 52 -4.547 12.255 -19.140 1.00 0.00 C ATOM 712 O VAL A 52 -4.282 13.052 -20.039 1.00 0.00 O ATOM 713 CB VAL A 52 -4.002 12.832 -16.739 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.252 12.369 -15.485 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.804 14.342 -16.930 1.00 0.00 C ATOM 0 H VAL A 52 -2.215 13.214 -19.008 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.582 10.973 -17.716 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.067 12.641 -16.605 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.580 12.956 -14.627 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.461 11.315 -15.304 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.181 12.507 -15.630 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.120 14.867 -16.029 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.751 14.550 -17.120 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.400 14.683 -17.777 1.00 0.00 H new ATOM 725 N ASP A 53 -5.683 11.549 -19.097 1.00 0.00 N ATOM 726 CA ASP A 53 -6.734 11.604 -20.103 1.00 0.00 C ATOM 727 C ASP A 53 -7.704 12.756 -19.829 1.00 0.00 C ATOM 728 O ASP A 53 -8.065 13.488 -20.748 1.00 0.00 O ATOM 729 CB ASP A 53 -7.458 10.248 -20.181 1.00 0.00 C ATOM 730 CG ASP A 53 -8.268 9.905 -18.930 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.659 9.871 -17.838 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.488 9.683 -19.088 1.00 0.00 O ATOM 0 H ASP A 53 -5.897 10.906 -18.335 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.281 11.801 -21.075 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.124 10.252 -21.044 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.721 9.463 -20.351 1.00 0.00 H new ATOM 737 N GLY A 54 -8.119 12.912 -18.566 1.00 0.00 N ATOM 738 CA GLY A 54 -9.046 13.939 -18.120 1.00 0.00 C ATOM 739 C GLY A 54 -10.500 13.459 -18.177 1.00 0.00 C ATOM 740 O GLY A 54 -10.763 12.341 -18.615 1.00 0.00 O ATOM 0 H GLY A 54 -7.805 12.304 -17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.800 14.232 -17.099 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.932 14.826 -18.743 1.00 0.00 H new ATOM 744 N PRO A 55 -11.459 14.299 -17.748 1.00 0.00 N ATOM 745 CA PRO A 55 -11.256 15.650 -17.239 1.00 0.00 C ATOM 746 C PRO A 55 -10.511 15.664 -15.902 1.00 0.00 C ATOM 747 O PRO A 55 -10.557 14.703 -15.139 1.00 0.00 O ATOM 748 CB PRO A 55 -12.662 16.241 -17.097 1.00 0.00 C ATOM 749 CG PRO A 55 -13.545 15.019 -16.874 1.00 0.00 C ATOM 750 CD PRO A 55 -12.872 13.965 -17.752 1.00 0.00 C ATOM 0 HA PRO A 55 -10.631 16.233 -17.915 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.722 16.937 -16.260 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.957 16.791 -17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.568 14.720 -15.826 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.576 15.202 -17.176 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.039 12.962 -17.359 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.276 13.982 -18.764 1.00 0.00 H new ATOM 758 N TYR A 56 -9.806 16.765 -15.641 1.00 0.00 N ATOM 759 CA TYR A 56 -9.030 17.042 -14.460 1.00 0.00 C ATOM 760 C TYR A 56 -9.376 18.426 -13.922 1.00 0.00 C ATOM 761 O TYR A 56 -9.830 19.309 -14.655 1.00 0.00 O ATOM 762 CB TYR A 56 -7.562 16.929 -14.884 1.00 0.00 C ATOM 763 CG TYR A 56 -7.230 17.189 -16.350 1.00 0.00 C ATOM 764 CD1 TYR A 56 -7.407 18.469 -16.904 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.754 16.143 -17.164 1.00 0.00 C ATOM 766 CE1 TYR A 56 -7.107 18.706 -18.257 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.460 16.377 -18.519 1.00 0.00 C ATOM 768 CZ TYR A 56 -6.630 17.660 -19.065 1.00 0.00 C ATOM 769 OH TYR A 56 -6.337 17.890 -20.377 1.00 0.00 O ATOM 0 H TYR A 56 -9.768 17.536 -16.308 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.239 16.343 -13.650 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.983 17.627 -14.279 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.216 15.926 -14.634 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.776 19.275 -16.287 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.614 15.157 -16.746 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.243 19.692 -18.675 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.103 15.569 -19.141 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.555 18.478 -20.439 1.00 0.00 H new ATOM 779 N GLN A 57 -9.150 18.587 -12.613 1.00 0.00 N ATOM 780 CA GLN A 57 -9.429 19.808 -11.883 1.00 0.00 C ATOM 781 C GLN A 57 -8.277 20.162 -10.946 1.00 0.00 C ATOM 782 O GLN A 57 -7.458 19.315 -10.592 1.00 0.00 O ATOM 783 CB GLN A 57 -10.796 19.679 -11.192 1.00 0.00 C ATOM 784 CG GLN A 57 -11.885 19.590 -12.283 1.00 0.00 C ATOM 785 CD GLN A 57 -13.301 20.017 -11.884 1.00 0.00 C ATOM 786 OE1 GLN A 57 -14.270 19.404 -12.328 1.00 0.00 O ATOM 787 NE2 GLN A 57 -13.447 21.053 -11.055 1.00 0.00 N ATOM 0 H GLN A 57 -8.759 17.849 -12.027 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.499 20.655 -12.566 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.819 18.792 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.977 20.537 -10.545 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.571 20.204 -13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.928 18.560 -12.636 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.625 21.543 -10.702 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.380 21.354 -10.775 1.00 0.00 H new ATOM 796 N GLU A 58 -8.249 21.436 -10.543 1.00 0.00 N ATOM 797 CA GLU A 58 -7.235 22.034 -9.696 1.00 0.00 C ATOM 798 C GLU A 58 -7.442 21.696 -8.229 1.00 0.00 C ATOM 799 O GLU A 58 -8.514 21.262 -7.833 1.00 0.00 O ATOM 800 CB GLU A 58 -7.319 23.566 -9.826 1.00 0.00 C ATOM 801 CG GLU A 58 -7.251 24.070 -11.276 1.00 0.00 C ATOM 802 CD GLU A 58 -7.374 25.587 -11.382 1.00 0.00 C ATOM 803 OE1 GLU A 58 -6.947 26.265 -10.426 1.00 0.00 O ATOM 804 OE2 GLU A 58 -7.896 26.047 -12.421 1.00 0.00 O ATOM 0 H GLU A 58 -8.971 22.103 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.270 21.643 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.250 23.909 -9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.505 24.015 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.307 23.755 -11.721 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.048 23.604 -11.855 1.00 0.00 H new ATOM 811 N PHE A 59 -6.385 21.882 -7.437 1.00 0.00 N ATOM 812 CA PHE A 59 -6.355 21.682 -6.004 1.00 0.00 C ATOM 813 C PHE A 59 -5.133 22.480 -5.537 1.00 0.00 C ATOM 814 O PHE A 59 -4.005 22.027 -5.707 1.00 0.00 O ATOM 815 CB PHE A 59 -6.290 20.203 -5.666 1.00 0.00 C ATOM 816 CG PHE A 59 -6.323 20.011 -4.175 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.551 19.916 -3.494 1.00 0.00 C ATOM 818 CD2 PHE A 59 -5.118 19.940 -3.466 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.555 19.721 -2.104 1.00 0.00 C ATOM 820 CE2 PHE A 59 -5.135 19.749 -2.084 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.353 19.629 -1.404 1.00 0.00 C ATOM 0 H PHE A 59 -5.486 22.192 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.255 22.028 -5.496 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.128 19.680 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.379 19.768 -6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.482 19.992 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.177 20.033 -3.988 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.493 19.642 -1.575 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.205 19.694 -1.537 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.361 19.465 -0.337 1.00 0.00 H new ATOM 831 N PRO A 60 -5.307 23.654 -4.923 1.00 0.00 N ATOM 832 CA PRO A 60 -4.193 24.488 -4.543 1.00 0.00 C ATOM 833 C PRO A 60 -3.535 24.039 -3.231 1.00 0.00 C ATOM 834 O PRO A 60 -4.241 23.727 -2.273 1.00 0.00 O ATOM 835 CB PRO A 60 -4.798 25.881 -4.525 1.00 0.00 C ATOM 836 CG PRO A 60 -6.192 25.638 -3.949 1.00 0.00 C ATOM 837 CD PRO A 60 -6.557 24.262 -4.520 1.00 0.00 C ATOM 0 HA PRO A 60 -3.348 24.435 -5.230 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.218 26.566 -3.906 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.843 26.315 -5.524 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.185 25.635 -2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.899 26.407 -4.261 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.065 23.652 -3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.235 24.359 -5.368 1.00 0.00 H new ATOM 845 N ILE A 61 -2.190 23.996 -3.185 1.00 0.00 N ATOM 846 CA ILE A 61 -1.428 23.574 -2.013 1.00 0.00 C ATOM 847 C ILE A 61 -0.787 24.737 -1.294 1.00 0.00 C ATOM 848 O ILE A 61 -0.933 25.916 -1.616 1.00 0.00 O ATOM 849 CB ILE A 61 -0.387 22.500 -2.373 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.206 21.539 -1.317 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.646 23.000 -3.379 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.524 20.167 -1.916 1.00 0.00 C ATOM 0 H ILE A 61 -1.602 24.259 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.143 23.128 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.068 21.783 -2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.114 21.973 -0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.499 21.422 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.356 22.203 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.143 23.300 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.178 23.855 -2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.939 19.520 -1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.389 19.722 -2.310 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.249 20.281 -2.722 1.00 0.00 H new ATOM 864 N LYS A 62 -0.056 24.275 -0.300 1.00 0.00 N ATOM 865 CA LYS A 62 0.741 25.040 0.651 1.00 0.00 C ATOM 866 C LYS A 62 1.786 24.138 1.312 1.00 0.00 C ATOM 867 O LYS A 62 1.513 22.973 1.602 1.00 0.00 O ATOM 868 CB LYS A 62 -0.158 25.750 1.682 1.00 0.00 C ATOM 869 CG LYS A 62 -0.177 27.271 1.474 1.00 0.00 C ATOM 870 CD LYS A 62 1.138 27.927 1.921 1.00 0.00 C ATOM 871 CE LYS A 62 1.187 29.407 1.528 1.00 0.00 C ATOM 872 NZ LYS A 62 1.353 29.581 0.076 1.00 0.00 N ATOM 0 H LYS A 62 0.004 23.273 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 62 1.277 25.823 0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.173 25.361 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.196 25.526 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.353 27.491 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.007 27.703 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.244 27.832 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.980 27.401 1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.270 29.899 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.011 29.895 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.568 30.577 -0.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.134 28.981 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.475 29.308 -0.409 1.00 0.00 H new ATOM 886 N SER A 63 2.985 24.687 1.559 1.00 0.00 N ATOM 887 CA SER A 63 4.111 23.985 2.164 1.00 0.00 C ATOM 888 C SER A 63 3.987 24.057 3.688 1.00 0.00 C ATOM 889 O SER A 63 4.849 24.603 4.376 1.00 0.00 O ATOM 890 CB SER A 63 5.418 24.593 1.645 1.00 0.00 C ATOM 891 OG SER A 63 6.532 23.846 2.089 1.00 0.00 O ATOM 0 H SER A 63 3.197 25.659 1.335 1.00 0.00 H new ATOM 0 HA SER A 63 4.111 22.930 1.888 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.404 24.620 0.555 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.506 25.624 1.988 1.00 0.00 H new ATOM 0 HG SER A 63 6.938 23.381 1.328 1.00 0.00 H new ATOM 897 N GLY A 64 2.884 23.496 4.193 1.00 0.00 N ATOM 898 CA GLY A 64 2.521 23.444 5.599 1.00 0.00 C ATOM 899 C GLY A 64 1.071 23.895 5.755 1.00 0.00 C ATOM 900 O GLY A 64 0.772 24.753 6.583 1.00 0.00 O ATOM 0 H GLY A 64 2.190 23.045 3.596 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.643 22.431 5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.180 24.087 6.182 1.00 0.00 H new ATOM 904 N GLY A 65 0.179 23.311 4.945 1.00 0.00 N ATOM 905 CA GLY A 65 -1.239 23.620 4.938 1.00 0.00 C ATOM 906 C GLY A 65 -1.870 23.115 3.644 1.00 0.00 C ATOM 907 O GLY A 65 -1.188 22.968 2.631 1.00 0.00 O ATOM 0 H GLY A 65 0.438 22.596 4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.726 23.157 5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.387 24.696 5.030 1.00 0.00 H new ATOM 911 N VAL A 66 -3.178 22.836 3.690 1.00 0.00 N ATOM 912 CA VAL A 66 -3.962 22.362 2.562 1.00 0.00 C ATOM 913 C VAL A 66 -5.278 23.150 2.553 1.00 0.00 C ATOM 914 O VAL A 66 -5.740 23.578 3.611 1.00 0.00 O ATOM 915 CB VAL A 66 -4.182 20.845 2.706 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.851 20.294 1.446 1.00 0.00 C ATOM 917 CG2 VAL A 66 -2.869 20.073 2.899 1.00 0.00 C ATOM 0 H VAL A 66 -3.729 22.940 4.542 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.454 22.522 1.611 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.807 20.709 3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.004 19.220 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.814 20.784 1.301 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.213 20.484 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.083 19.009 2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.221 20.236 2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.369 20.425 3.801 1.00 0.00 H new ATOM 927 N TYR A 67 -5.873 23.345 1.365 1.00 0.00 N ATOM 928 CA TYR A 67 -7.116 24.083 1.141 1.00 0.00 C ATOM 929 C TYR A 67 -7.111 25.443 1.849 1.00 0.00 C ATOM 930 O TYR A 67 -8.069 25.808 2.525 1.00 0.00 O ATOM 931 CB TYR A 67 -8.362 23.213 1.430 1.00 0.00 C ATOM 932 CG TYR A 67 -8.378 22.427 2.737 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.696 23.046 3.963 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.061 21.056 2.723 1.00 0.00 C ATOM 935 CE1 TYR A 67 -8.690 22.302 5.156 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.050 20.311 3.916 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.363 20.935 5.134 1.00 0.00 C ATOM 938 OH TYR A 67 -8.361 20.214 6.294 1.00 0.00 O ATOM 0 H TYR A 67 -5.480 22.974 0.500 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.179 24.321 0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -9.237 23.862 1.416 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -8.477 22.505 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -8.945 24.097 3.986 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.824 20.571 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -8.937 22.782 6.091 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.801 19.260 3.895 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.114 19.285 6.102 1.00 0.00 H new ATOM 948 N THR A 68 -6.026 26.208 1.677 1.00 0.00 N ATOM 949 CA THR A 68 -5.824 27.502 2.275 1.00 0.00 C ATOM 950 C THR A 68 -6.607 28.547 1.476 1.00 0.00 C ATOM 951 O THR A 68 -6.625 28.513 0.246 1.00 0.00 O ATOM 952 CB THR A 68 -4.310 27.729 2.225 1.00 0.00 C ATOM 953 OG1 THR A 68 -3.650 26.769 3.026 1.00 0.00 O ATOM 954 CG2 THR A 68 -3.957 29.116 2.723 1.00 0.00 C ATOM 0 H THR A 68 -5.243 25.917 1.092 1.00 0.00 H new ATOM 0 HA THR A 68 -6.181 27.574 3.302 1.00 0.00 H new ATOM 0 HB THR A 68 -3.988 27.631 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.752 27.091 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.877 29.255 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.445 29.863 2.096 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.295 29.230 3.753 1.00 0.00 H new ATOM 962 N GLY A 69 -7.255 29.476 2.194 1.00 0.00 N ATOM 963 CA GLY A 69 -8.067 30.530 1.610 1.00 0.00 C ATOM 964 C GLY A 69 -7.232 31.603 0.913 1.00 0.00 C ATOM 965 O GLY A 69 -7.051 31.547 -0.303 1.00 0.00 O ATOM 0 H GLY A 69 -7.223 29.508 3.213 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -8.761 30.092 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.668 30.995 2.392 1.00 0.00 H new ATOM 969 N GLY A 70 -6.737 32.580 1.685 1.00 0.00 N ATOM 970 CA GLY A 70 -5.943 33.693 1.186 1.00 0.00 C ATOM 971 C GLY A 70 -4.512 33.274 0.852 1.00 0.00 C ATOM 972 O GLY A 70 -3.588 33.569 1.609 1.00 0.00 O ATOM 0 H GLY A 70 -6.885 32.612 2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.417 34.105 0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.923 34.487 1.933 1.00 0.00 H new ATOM 976 N SER A 71 -4.339 32.595 -0.290 1.00 0.00 N ATOM 977 CA SER A 71 -3.060 32.117 -0.798 1.00 0.00 C ATOM 978 C SER A 71 -2.516 33.085 -1.857 1.00 0.00 C ATOM 979 O SER A 71 -3.297 33.823 -2.459 1.00 0.00 O ATOM 980 CB SER A 71 -3.263 30.741 -1.446 1.00 0.00 C ATOM 981 OG SER A 71 -3.686 29.792 -0.493 1.00 0.00 O ATOM 0 H SER A 71 -5.119 32.358 -0.903 1.00 0.00 H new ATOM 0 HA SER A 71 -2.351 32.050 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.003 30.816 -2.243 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.332 30.410 -1.905 1.00 0.00 H new ATOM 0 HG SER A 71 -3.810 28.923 -0.929 1.00 0.00 H new ATOM 987 N PRO A 72 -1.196 33.090 -2.116 1.00 0.00 N ATOM 988 CA PRO A 72 -0.605 33.709 -3.296 1.00 0.00 C ATOM 989 C PRO A 72 -1.267 33.208 -4.584 1.00 0.00 C ATOM 990 O PRO A 72 -1.571 34.001 -5.473 1.00 0.00 O ATOM 991 CB PRO A 72 0.884 33.343 -3.248 1.00 0.00 C ATOM 992 CG PRO A 72 1.134 33.180 -1.753 1.00 0.00 C ATOM 993 CD PRO A 72 -0.151 32.489 -1.304 1.00 0.00 C ATOM 0 HA PRO A 72 -0.750 34.789 -3.296 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.095 32.425 -3.797 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.508 34.124 -3.681 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.018 32.576 -1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.280 34.138 -1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.097 31.412 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.335 32.647 -0.241 1.00 0.00 H new ATOM 1001 N GLY A 73 -1.486 31.888 -4.669 1.00 0.00 N ATOM 1002 CA GLY A 73 -2.116 31.223 -5.798 1.00 0.00 C ATOM 1003 C GLY A 73 -1.093 30.754 -6.834 1.00 0.00 C ATOM 1004 O GLY A 73 -1.449 30.590 -8.000 1.00 0.00 O ATOM 0 H GLY A 73 -1.218 31.242 -3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.688 30.367 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -2.824 31.904 -6.271 1.00 0.00 H new ATOM 1008 N ALA A 74 0.165 30.534 -6.417 1.00 0.00 N ATOM 1009 CA ALA A 74 1.219 30.071 -7.304 1.00 0.00 C ATOM 1010 C ALA A 74 1.317 28.557 -7.230 1.00 0.00 C ATOM 1011 O ALA A 74 0.969 27.909 -8.204 1.00 0.00 O ATOM 1012 CB ALA A 74 2.570 30.730 -6.993 1.00 0.00 C ATOM 0 H ALA A 74 0.469 30.675 -5.454 1.00 0.00 H new ATOM 0 HA ALA A 74 0.960 30.365 -8.321 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.326 30.353 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.483 31.811 -7.107 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.862 30.495 -5.969 1.00 0.00 H new ATOM 1018 N ASP A 75 1.768 27.992 -6.103 1.00 0.00 N ATOM 1019 CA ASP A 75 1.935 26.555 -5.919 1.00 0.00 C ATOM 1020 C ASP A 75 0.596 25.812 -5.830 1.00 0.00 C ATOM 1021 O ASP A 75 -0.109 25.890 -4.819 1.00 0.00 O ATOM 1022 CB ASP A 75 2.796 26.294 -4.681 1.00 0.00 C ATOM 1023 CG ASP A 75 4.132 27.034 -4.727 1.00 0.00 C ATOM 1024 OD1 ASP A 75 4.161 28.191 -4.252 1.00 0.00 O ATOM 1025 OD2 ASP A 75 5.102 26.430 -5.229 1.00 0.00 O ATOM 0 H ASP A 75 2.031 28.536 -5.281 1.00 0.00 H new ATOM 0 HA ASP A 75 2.441 26.162 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.247 26.599 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.981 25.224 -4.591 1.00 0.00 H new ATOM 1030 N ARG A 76 0.258 25.074 -6.897 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.984 24.322 -6.988 1.00 0.00 C ATOM 1032 C ARG A 76 -0.773 22.961 -7.643 1.00 0.00 C ATOM 1033 O ARG A 76 -0.130 22.879 -8.688 1.00 0.00 O ATOM 1034 CB ARG A 76 -2.020 25.096 -7.826 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.210 26.554 -7.388 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.397 27.239 -8.073 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.341 27.155 -9.538 1.00 0.00 N ATOM 1038 CZ ARG A 76 -4.233 27.725 -10.366 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -5.213 28.512 -9.892 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -4.145 27.499 -11.685 1.00 0.00 N ATOM 0 H ARG A 76 0.849 24.987 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.342 24.180 -5.968 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.713 25.078 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.979 24.581 -7.766 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.354 26.587 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.300 27.114 -7.606 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.323 26.783 -7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.426 28.287 -7.776 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.573 26.629 -9.955 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.288 28.685 -8.890 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.882 28.937 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.406 26.899 -12.051 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.817 27.927 -12.322 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.302 21.897 -7.022 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.233 20.548 -7.571 1.00 0.00 C ATOM 1056 C VAL A 77 -2.543 20.364 -8.341 1.00 0.00 C ATOM 1057 O VAL A 77 -3.546 20.999 -8.031 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.965 19.460 -6.517 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.414 19.655 -5.876 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.026 19.388 -5.420 1.00 0.00 C ATOM 0 H VAL A 77 -1.788 21.954 -6.127 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.373 20.433 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.002 18.515 -7.058 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.584 18.875 -5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.184 19.597 -6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.456 20.631 -5.393 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.768 18.598 -4.715 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.072 20.342 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.997 19.173 -5.866 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.555 19.509 -9.360 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.741 19.292 -10.174 1.00 0.00 C ATOM 1072 C VAL A 78 -3.915 17.780 -10.314 1.00 0.00 C ATOM 1073 O VAL A 78 -2.955 17.085 -10.641 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.563 20.095 -11.477 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.763 19.952 -12.416 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.352 21.594 -11.147 1.00 0.00 C ATOM 0 H VAL A 78 -1.748 18.952 -9.641 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.674 19.656 -9.743 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.689 19.691 -11.987 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.589 20.536 -13.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.894 18.903 -12.682 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.661 20.315 -11.916 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.227 22.156 -12.072 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.219 21.973 -10.607 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.461 21.709 -10.529 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.135 17.284 -10.049 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.480 15.865 -10.088 1.00 0.00 C ATOM 1088 C ILE A 79 -6.531 15.541 -11.162 1.00 0.00 C ATOM 1089 O ILE A 79 -7.052 16.438 -11.822 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.940 15.412 -8.683 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.317 15.976 -8.284 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.916 15.800 -7.601 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.985 15.087 -7.231 1.00 0.00 C ATOM 0 H ILE A 79 -5.924 17.879 -9.796 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.588 15.305 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.022 14.327 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.201 16.987 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.955 16.046 -9.165 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.272 15.466 -6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.959 15.326 -7.819 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.791 16.883 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.956 15.505 -6.965 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.120 14.084 -7.635 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.355 15.039 -6.343 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.838 14.243 -11.308 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.801 13.681 -12.248 1.00 0.00 C ATOM 1107 C ASN A 80 -9.185 13.603 -11.597 1.00 0.00 C ATOM 1108 O ASN A 80 -9.337 13.932 -10.418 1.00 0.00 O ATOM 1109 CB ASN A 80 -7.315 12.298 -12.702 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.977 11.840 -14.002 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.860 10.984 -13.982 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.554 12.410 -15.132 1.00 0.00 N ATOM 0 H ASN A 80 -6.393 13.523 -10.739 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.884 14.323 -13.125 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.234 12.324 -12.838 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.520 11.569 -11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.966 12.139 -16.025 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.819 13.116 -15.103 1.00 0.00 H new ATOM 1119 N THR A 81 -10.190 13.155 -12.364 1.00 0.00 N ATOM 1120 CA THR A 81 -11.572 13.041 -11.924 1.00 0.00 C ATOM 1121 C THR A 81 -11.976 11.828 -11.109 1.00 0.00 C ATOM 1122 O THR A 81 -12.992 11.188 -11.370 1.00 0.00 O ATOM 1123 CB THR A 81 -12.533 13.404 -13.065 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.883 13.439 -12.653 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.406 12.396 -14.202 1.00 0.00 C ATOM 0 H THR A 81 -10.052 12.857 -13.330 1.00 0.00 H new ATOM 0 HA THR A 81 -11.661 13.791 -11.138 1.00 0.00 H new ATOM 0 HB THR A 81 -12.250 14.403 -13.396 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.074 12.660 -12.090 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.093 12.665 -15.005 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.384 12.402 -14.581 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.650 11.400 -13.834 1.00 0.00 H new ATOM 1133 N ASN A 82 -11.163 11.536 -10.100 1.00 0.00 N ATOM 1134 CA ASN A 82 -11.411 10.463 -9.179 1.00 0.00 C ATOM 1135 C ASN A 82 -10.561 10.793 -7.962 1.00 0.00 C ATOM 1136 O ASN A 82 -11.015 11.437 -7.017 1.00 0.00 O ATOM 1137 CB ASN A 82 -11.072 9.083 -9.793 1.00 0.00 C ATOM 1138 CG ASN A 82 -12.191 8.502 -10.652 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -12.045 8.382 -11.867 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -13.308 8.131 -10.020 1.00 0.00 N ATOM 0 H ASN A 82 -10.305 12.052 -9.907 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.465 10.382 -8.915 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.171 9.177 -10.400 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.843 8.384 -8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.083 7.730 -10.548 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -13.386 8.249 -9.010 1.00 0.00 H new ATOM 1147 N CYS A 83 -9.318 10.331 -8.054 1.00 0.00 N ATOM 1148 CA CYS A 83 -8.254 10.402 -7.060 1.00 0.00 C ATOM 1149 C CYS A 83 -6.896 10.135 -7.722 1.00 0.00 C ATOM 1150 O CYS A 83 -6.266 9.140 -7.361 1.00 0.00 O ATOM 1151 CB CYS A 83 -8.531 9.365 -5.952 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.913 9.711 -4.831 1.00 0.00 S ATOM 0 H CYS A 83 -9.003 9.856 -8.900 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.227 11.399 -6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.713 8.401 -6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.627 9.259 -5.353 1.00 0.00 H new ATOM 1157 N GLU A 84 -6.414 10.950 -8.674 1.00 0.00 N ATOM 1158 CA GLU A 84 -5.114 10.647 -9.289 1.00 0.00 C ATOM 1159 C GLU A 84 -4.277 11.876 -9.631 1.00 0.00 C ATOM 1160 O GLU A 84 -4.689 12.686 -10.452 1.00 0.00 O ATOM 1161 CB GLU A 84 -5.326 9.761 -10.527 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.026 9.138 -11.051 1.00 0.00 C ATOM 1163 CD GLU A 84 -3.401 8.173 -10.047 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -4.022 7.111 -9.821 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -2.318 8.514 -9.523 1.00 0.00 O ATOM 0 H GLU A 84 -6.881 11.787 -9.022 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.532 10.112 -8.538 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.030 8.966 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.782 10.356 -11.319 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.229 8.609 -11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.314 9.930 -11.283 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.095 11.998 -9.005 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.153 13.090 -9.229 1.00 0.00 C ATOM 1174 C TYR A 85 -1.824 13.147 -10.722 1.00 0.00 C ATOM 1175 O TYR A 85 -1.476 12.126 -11.318 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.893 12.857 -8.363 1.00 0.00 C ATOM 1177 CG TYR A 85 0.300 13.791 -8.582 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.006 13.756 -9.803 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.723 14.690 -7.575 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.091 14.613 -10.030 1.00 0.00 C ATOM 1181 CE2 TYR A 85 1.813 15.550 -7.812 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.496 15.515 -9.037 1.00 0.00 C ATOM 1183 OH TYR A 85 3.545 16.356 -9.270 1.00 0.00 O ATOM 0 H TYR A 85 -2.767 11.322 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.581 14.049 -8.937 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.187 12.928 -7.316 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.554 11.835 -8.531 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.706 13.060 -10.572 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.210 14.717 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.617 14.578 -10.973 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.126 16.242 -7.044 1.00 0.00 H new ATOM 0 HH TYR A 85 3.592 16.562 -10.227 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.951 14.341 -11.318 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.657 14.583 -12.721 1.00 0.00 C ATOM 1195 C ALA A 86 -0.300 15.277 -12.828 1.00 0.00 C ATOM 1196 O ALA A 86 0.616 14.745 -13.451 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.784 15.403 -13.356 1.00 0.00 C ATOM 0 H ALA A 86 -2.267 15.174 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.600 13.643 -13.270 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.557 15.581 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.723 14.855 -13.275 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.875 16.358 -12.838 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.173 16.456 -12.208 1.00 0.00 N ATOM 1204 CA GLY A 87 1.054 17.235 -12.203 1.00 0.00 C ATOM 1205 C GLY A 87 0.995 18.333 -11.146 1.00 0.00 C ATOM 1206 O GLY A 87 -0.038 18.542 -10.513 1.00 0.00 O ATOM 0 H GLY A 87 -0.935 16.895 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.904 16.581 -12.008 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.212 17.679 -13.186 1.00 0.00 H new ATOM 1210 N ALA A 88 2.127 19.023 -10.967 1.00 0.00 N ATOM 1211 CA ALA A 88 2.312 20.122 -10.032 1.00 0.00 C ATOM 1212 C ALA A 88 2.791 21.357 -10.795 1.00 0.00 C ATOM 1213 O ALA A 88 3.882 21.352 -11.360 1.00 0.00 O ATOM 1214 CB ALA A 88 3.306 19.690 -8.951 1.00 0.00 C ATOM 0 H ALA A 88 2.973 18.816 -11.497 1.00 0.00 H new ATOM 0 HA ALA A 88 1.373 20.380 -9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.452 20.507 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.915 18.820 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.259 19.436 -9.414 1.00 0.00 H new ATOM 1220 N ILE A 89 1.967 22.414 -10.797 1.00 0.00 N ATOM 1221 CA ILE A 89 2.228 23.680 -11.477 1.00 0.00 C ATOM 1222 C ILE A 89 2.523 24.775 -10.450 1.00 0.00 C ATOM 1223 O ILE A 89 2.138 24.635 -9.287 1.00 0.00 O ATOM 1224 CB ILE A 89 1.034 24.039 -12.382 1.00 0.00 C ATOM 1225 CG1 ILE A 89 -0.270 24.262 -11.592 1.00 0.00 C ATOM 1226 CG2 ILE A 89 0.842 22.951 -13.445 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -1.417 24.767 -12.473 1.00 0.00 C ATOM 0 H ILE A 89 1.072 22.406 -10.308 1.00 0.00 H new ATOM 0 HA ILE A 89 3.108 23.585 -12.113 1.00 0.00 H new ATOM 0 HB ILE A 89 1.268 24.988 -12.866 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.567 23.327 -11.117 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.087 24.981 -10.793 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.004 23.210 -14.082 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.744 22.873 -14.053 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.649 21.996 -12.957 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -2.310 24.906 -11.863 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -1.136 25.717 -12.927 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.623 24.037 -13.256 1.00 0.00 H new ATOM 1239 N THR A 90 3.210 25.858 -10.857 1.00 0.00 N ATOM 1240 CA THR A 90 3.532 26.931 -9.926 1.00 0.00 C ATOM 1241 C THR A 90 3.870 28.300 -10.529 1.00 0.00 C ATOM 1242 O THR A 90 4.585 28.358 -11.525 1.00 0.00 O ATOM 1243 CB THR A 90 4.681 26.492 -9.001 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.857 27.462 -7.994 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.007 26.311 -9.752 1.00 0.00 C ATOM 0 H THR A 90 3.544 26.004 -11.810 1.00 0.00 H new ATOM 0 HA THR A 90 2.599 27.093 -9.386 1.00 0.00 H new ATOM 0 HB THR A 90 4.407 25.526 -8.577 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.877 27.024 -7.118 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.783 26.001 -9.052 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.888 25.549 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.294 27.254 -10.217 1.00 0.00 H new ATOM 1253 N HIS A 91 3.345 29.401 -9.945 1.00 0.00 N ATOM 1254 CA HIS A 91 3.728 30.745 -10.419 1.00 0.00 C ATOM 1255 C HIS A 91 5.115 31.171 -9.893 1.00 0.00 C ATOM 1256 O HIS A 91 5.638 32.166 -10.391 1.00 0.00 O ATOM 1257 CB HIS A 91 2.773 31.922 -10.064 1.00 0.00 C ATOM 1258 CG HIS A 91 1.661 32.167 -11.017 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.073 33.406 -11.218 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.007 31.306 -11.832 1.00 0.00 C ATOM 1261 CE1 HIS A 91 0.110 33.229 -12.137 1.00 0.00 C ATOM 1262 NE2 HIS A 91 0.034 31.972 -12.566 1.00 0.00 N ATOM 0 H HIS A 91 2.679 29.388 -9.173 1.00 0.00 H new ATOM 0 HA HIS A 91 3.697 30.598 -11.499 1.00 0.00 H new ATOM 0 HB2 HIS A 91 2.346 31.733 -9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.365 32.834 -9.985 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.213 30.248 -11.902 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.533 34.022 -12.490 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.594 31.586 -13.271 1.00 0.00 H new ATOM 1270 N THR A 92 5.713 30.447 -8.925 1.00 0.00 N ATOM 1271 CA THR A 92 7.010 30.733 -8.296 1.00 0.00 C ATOM 1272 C THR A 92 7.987 31.522 -9.165 1.00 0.00 C ATOM 1273 O THR A 92 8.320 32.663 -8.847 1.00 0.00 O ATOM 1274 CB THR A 92 7.652 29.449 -7.745 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.843 28.922 -6.715 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.042 29.720 -7.153 1.00 0.00 C ATOM 0 H THR A 92 5.279 29.606 -8.545 1.00 0.00 H new ATOM 0 HA THR A 92 6.783 31.401 -7.465 1.00 0.00 H new ATOM 0 HB THR A 92 7.745 28.749 -8.575 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.099 28.420 -7.108 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.464 28.789 -6.774 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.694 30.125 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.956 30.438 -6.338 1.00 0.00 H new ATOM 1284 N GLY A 93 8.429 30.908 -10.261 1.00 0.00 N ATOM 1285 CA GLY A 93 9.370 31.507 -11.188 1.00 0.00 C ATOM 1286 C GLY A 93 8.592 32.344 -12.193 1.00 0.00 C ATOM 1287 O GLY A 93 8.578 33.571 -12.102 1.00 0.00 O ATOM 0 H GLY A 93 8.136 29.968 -10.528 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.087 32.129 -10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.941 30.733 -11.701 1.00 0.00 H new ATOM 1291 N ALA A 94 7.941 31.654 -13.138 1.00 0.00 N ATOM 1292 CA ALA A 94 7.147 32.244 -14.208 1.00 0.00 C ATOM 1293 C ALA A 94 7.914 33.338 -14.967 1.00 0.00 C ATOM 1294 O ALA A 94 9.138 33.279 -15.075 1.00 0.00 O ATOM 1295 CB ALA A 94 5.810 32.724 -13.628 1.00 0.00 C ATOM 0 H ALA A 94 7.957 30.635 -13.174 1.00 0.00 H new ATOM 0 HA ALA A 94 6.936 31.487 -14.963 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.208 33.168 -14.421 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.276 31.878 -13.197 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.996 33.468 -12.854 1.00 0.00 H new ATOM 1301 N SER A 95 7.186 34.328 -15.501 1.00 0.00 N ATOM 1302 CA SER A 95 7.725 35.461 -16.238 1.00 0.00 C ATOM 1303 C SER A 95 6.751 36.633 -16.114 1.00 0.00 C ATOM 1304 O SER A 95 7.158 37.736 -15.751 1.00 0.00 O ATOM 1305 CB SER A 95 7.996 35.080 -17.699 1.00 0.00 C ATOM 1306 OG SER A 95 6.830 34.580 -18.319 1.00 0.00 O ATOM 0 H SER A 95 6.169 34.356 -15.424 1.00 0.00 H new ATOM 0 HA SER A 95 8.684 35.762 -15.817 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.356 35.952 -18.245 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.785 34.329 -17.742 1.00 0.00 H new ATOM 0 HG SER A 95 7.029 34.346 -19.250 1.00 0.00 H new ATOM 1312 N GLY A 96 5.469 36.385 -16.416 1.00 0.00 N ATOM 1313 CA GLY A 96 4.387 37.354 -16.339 1.00 0.00 C ATOM 1314 C GLY A 96 3.333 36.811 -15.380 1.00 0.00 C ATOM 1315 O GLY A 96 3.353 37.136 -14.193 1.00 0.00 O ATOM 0 H GLY A 96 5.154 35.468 -16.731 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.761 38.316 -15.988 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.954 37.521 -17.325 1.00 0.00 H new ATOM 1319 N ASN A 97 2.414 35.995 -15.909 1.00 0.00 N ATOM 1320 CA ASN A 97 1.331 35.353 -15.178 1.00 0.00 C ATOM 1321 C ASN A 97 1.223 33.872 -15.558 1.00 0.00 C ATOM 1322 O ASN A 97 0.149 33.278 -15.481 1.00 0.00 O ATOM 1323 CB ASN A 97 0.037 36.113 -15.477 1.00 0.00 C ATOM 1324 CG ASN A 97 -0.422 35.982 -16.932 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.365 35.248 -17.222 1.00 0.00 O ATOM 1326 ND2 ASN A 97 0.235 36.698 -17.850 1.00 0.00 N ATOM 0 H ASN A 97 2.410 35.758 -16.901 1.00 0.00 H new ATOM 0 HA ASN A 97 1.526 35.385 -14.106 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -0.752 35.746 -14.820 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.181 37.168 -15.243 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.041 36.647 -18.831 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.013 37.296 -17.570 1.00 0.00 H new ATOM 1333 N ASN A 98 2.355 33.284 -15.955 1.00 0.00 N ATOM 1334 CA ASN A 98 2.468 31.898 -16.380 1.00 0.00 C ATOM 1335 C ASN A 98 2.681 30.960 -15.192 1.00 0.00 C ATOM 1336 O ASN A 98 3.003 31.397 -14.088 1.00 0.00 O ATOM 1337 CB ASN A 98 3.618 31.780 -17.390 1.00 0.00 C ATOM 1338 CG ASN A 98 3.346 32.608 -18.644 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.602 32.173 -19.522 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.944 33.801 -18.736 1.00 0.00 N ATOM 0 H ASN A 98 3.244 33.782 -15.988 1.00 0.00 H new ATOM 0 HA ASN A 98 1.534 31.595 -16.854 1.00 0.00 H new ATOM 0 HB2 ASN A 98 4.547 32.113 -16.927 1.00 0.00 H new ATOM 0 HB3 ASN A 98 3.756 30.735 -17.666 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.790 34.387 -19.557 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.554 34.125 -17.985 1.00 0.00 H new ATOM 1347 N PHE A 99 2.484 29.662 -15.443 1.00 0.00 N ATOM 1348 CA PHE A 99 2.639 28.572 -14.493 1.00 0.00 C ATOM 1349 C PHE A 99 3.732 27.645 -15.021 1.00 0.00 C ATOM 1350 O PHE A 99 3.555 27.054 -16.085 1.00 0.00 O ATOM 1351 CB PHE A 99 1.327 27.765 -14.431 1.00 0.00 C ATOM 1352 CG PHE A 99 0.333 28.274 -13.415 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.428 27.841 -12.082 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.686 29.169 -13.791 1.00 0.00 C ATOM 1355 CE1 PHE A 99 -0.470 28.322 -11.122 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.588 29.650 -12.824 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.462 29.236 -11.487 1.00 0.00 C ATOM 0 H PHE A 99 2.197 29.333 -16.365 1.00 0.00 H new ATOM 0 HA PHE A 99 2.888 28.964 -13.507 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.860 27.776 -15.416 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.564 26.726 -14.202 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.195 27.136 -11.797 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.775 29.486 -14.820 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.396 27.986 -10.098 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.374 30.334 -13.108 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.135 29.626 -10.738 1.00 0.00 H new ATOM 1367 N VAL A 100 4.851 27.520 -14.297 1.00 0.00 N ATOM 1368 CA VAL A 100 5.953 26.640 -14.671 1.00 0.00 C ATOM 1369 C VAL A 100 5.719 25.279 -14.024 1.00 0.00 C ATOM 1370 O VAL A 100 4.913 25.147 -13.104 1.00 0.00 O ATOM 1371 CB VAL A 100 7.334 27.231 -14.332 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.616 28.421 -15.247 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.502 27.628 -12.864 1.00 0.00 C ATOM 0 H VAL A 100 5.013 28.032 -13.430 1.00 0.00 H new ATOM 0 HA VAL A 100 5.967 26.526 -15.755 1.00 0.00 H new ATOM 0 HB VAL A 100 8.063 26.439 -14.502 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.593 28.840 -15.008 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.607 28.091 -16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.849 29.182 -15.101 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.501 28.035 -12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.759 28.382 -12.604 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.366 26.751 -12.232 1.00 0.00 H new ATOM 1383 N GLY A 101 6.443 24.269 -14.510 1.00 0.00 N ATOM 1384 CA GLY A 101 6.325 22.901 -14.039 1.00 0.00 C ATOM 1385 C GLY A 101 7.295 22.601 -12.902 1.00 0.00 C ATOM 1386 O GLY A 101 8.472 22.952 -12.985 1.00 0.00 O ATOM 0 H GLY A 101 7.134 24.387 -15.251 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.304 22.721 -13.701 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.513 22.216 -14.866 1.00 0.00 H new ATOM 1390 N CYS A 102 6.793 21.955 -11.842 1.00 0.00 N ATOM 1391 CA CYS A 102 7.590 21.566 -10.688 1.00 0.00 C ATOM 1392 C CYS A 102 8.333 20.264 -11.016 1.00 0.00 C ATOM 1393 O CYS A 102 8.289 19.799 -12.156 1.00 0.00 O ATOM 1394 CB CYS A 102 6.706 21.451 -9.441 1.00 0.00 C ATOM 1395 SG CYS A 102 5.596 22.852 -9.107 1.00 0.00 S ATOM 0 H CYS A 102 5.811 21.688 -11.768 1.00 0.00 H new ATOM 0 HA CYS A 102 8.335 22.329 -10.463 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.100 20.549 -9.533 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.353 21.313 -8.575 1.00 0.00 H new ATOM 1400 N SER A 103 9.012 19.662 -10.029 1.00 0.00 N ATOM 1401 CA SER A 103 9.766 18.430 -10.254 1.00 0.00 C ATOM 1402 C SER A 103 8.809 17.237 -10.354 1.00 0.00 C ATOM 1403 O SER A 103 8.449 16.632 -9.345 1.00 0.00 O ATOM 1404 CB SER A 103 10.847 18.241 -9.184 1.00 0.00 C ATOM 1405 OG SER A 103 11.595 17.074 -9.450 1.00 0.00 O ATOM 0 H SER A 103 9.052 20.011 -9.071 1.00 0.00 H new ATOM 0 HA SER A 103 10.292 18.501 -11.206 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.507 19.109 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.386 18.170 -8.199 1.00 0.00 H new ATOM 0 HG SER A 103 12.284 16.963 -8.762 1.00 0.00 H new ATOM 1411 N GLY A 104 8.414 16.913 -11.593 1.00 0.00 N ATOM 1412 CA GLY A 104 7.504 15.836 -11.948 1.00 0.00 C ATOM 1413 C GLY A 104 6.304 16.412 -12.697 1.00 0.00 C ATOM 1414 O GLY A 104 5.160 16.126 -12.342 1.00 0.00 O ATOM 0 H GLY A 104 8.742 17.427 -12.411 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.017 15.102 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.171 15.316 -11.050 1.00 0.00 H new ATOM 1418 N THR A 105 6.579 17.213 -13.738 1.00 0.00 N ATOM 1419 CA THR A 105 5.586 17.877 -14.572 1.00 0.00 C ATOM 1420 C THR A 105 6.196 18.147 -15.945 1.00 0.00 C ATOM 1421 O THR A 105 7.091 18.983 -16.069 1.00 0.00 O ATOM 1422 CB THR A 105 5.150 19.188 -13.896 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.468 18.882 -12.702 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.231 20.033 -14.785 1.00 0.00 C ATOM 0 H THR A 105 7.536 17.418 -14.026 1.00 0.00 H new ATOM 0 HA THR A 105 4.707 17.245 -14.696 1.00 0.00 H new ATOM 0 HB THR A 105 6.050 19.771 -13.703 1.00 0.00 H new ATOM 0 HG1 THR A 105 4.357 19.698 -12.171 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.954 20.946 -14.258 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.752 20.290 -15.707 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.332 19.465 -15.023 1.00 0.00 H new ATOM 1432 N ASN A 106 5.709 17.439 -16.972 1.00 0.00 N ATOM 1433 CA ASN A 106 6.171 17.593 -18.344 1.00 0.00 C ATOM 1434 C ASN A 106 5.470 18.792 -18.985 1.00 0.00 C ATOM 1435 O ASN A 106 4.220 18.803 -18.962 1.00 0.00 O ATOM 1436 CB ASN A 106 5.897 16.310 -19.138 1.00 0.00 C ATOM 1437 CG ASN A 106 6.671 15.120 -18.574 1.00 0.00 C ATOM 1438 OD1 ASN A 106 6.092 14.258 -17.916 1.00 0.00 O ATOM 1439 ND2 ASN A 106 7.981 15.073 -18.834 1.00 0.00 N ATOM 1440 OXT ASN A 106 6.197 19.729 -19.383 1.00 0.00 O ATOM 0 H ASN A 106 4.976 16.738 -16.865 1.00 0.00 H new ATOM 0 HA ASN A 106 7.246 17.772 -18.350 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.829 16.091 -19.119 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.173 16.462 -20.181 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.543 14.298 -18.482 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.418 15.812 -19.385 1.00 0.00 H new