USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 839 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: X 64 GLN : amide:sc= -13.8! C(o=-22!,f=-21!) USER MOD Set 1.2: X 68 ASN : amide:sc= -8.56! C(o=-22!,f=-21!) USER MOD Single : X 1 MET CE :methyl -123:sc=-0.000625 (180deg=-0.282) USER MOD Single : X 1 MET N :NH3+ -170:sc= -0.228 (180deg=-0.487) USER MOD Single : X 3 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.36) USER MOD Single : X 6 SER OG : rot 180:sc= -0.11 USER MOD Single : X 7 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.2) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 16 LYS NZ :NH3+ 145:sc= -1.16 (180deg=-3.29!) USER MOD Single : X 17 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.3) USER MOD Single : X 20 LYS NZ :NH3+ -161:sc= -0.0261 (180deg=-0.409) USER MOD Single : X 21 THR OG1 : rot -44:sc= 0.949 USER MOD Single : X 25 LYS NZ :NH3+ 163:sc= -0.0428 (180deg=-0.382) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -0.702 USER MOD Single : X 33 LYS NZ :NH3+ -164:sc= -0.0472 (180deg=-0.462) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 180:sc= 0 USER MOD Single : X 42 CYS SG : rot 75:sc= -5.9! USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 50 THR OG1 : rot 180:sc= -0.319 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 90:sc= 0.411 USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 69 THR OG1 : rot -104:sc= -0.968 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot -65:sc= 0.806 USER MOD Single : X 82 TYR OH : rot -67:sc= 1.15 USER MOD Single : X 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 87 LYS NZ :NH3+ -156:sc= 0.00643 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.32) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 100 MET CE :methyl 157:sc= -0.0999 (180deg=-0.809) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 60.523 1.966 2.387 1.00 1.00 N ATOM 2 CA MET X 1 60.411 3.256 1.649 1.00 1.00 C ATOM 3 C MET X 1 61.617 3.418 0.731 1.00 1.00 C ATOM 4 O MET X 1 61.669 4.340 -0.083 1.00 1.00 O ATOM 5 CB MET X 1 60.354 4.411 2.651 1.00 1.00 C ATOM 6 CG MET X 1 59.031 4.354 3.418 1.00 1.00 C ATOM 7 SD MET X 1 58.930 5.750 4.568 1.00 1.00 S ATOM 8 CE MET X 1 60.040 5.100 5.843 1.00 1.00 C ATOM 0 H1 MET X 1 59.630 1.771 2.882 1.00 1.00 H new ATOM 0 H2 MET X 1 60.721 1.198 1.715 1.00 1.00 H new ATOM 0 H3 MET X 1 61.296 2.028 3.079 1.00 1.00 H new ATOM 0 HA MET X 1 59.502 3.261 1.048 1.00 1.00 H new ATOM 0 HB2 MET X 1 61.192 4.347 3.345 1.00 1.00 H new ATOM 0 HB3 MET X 1 60.444 5.364 2.130 1.00 1.00 H new ATOM 0 HG2 MET X 1 58.194 4.384 2.721 1.00 1.00 H new ATOM 0 HG3 MET X 1 58.957 3.414 3.965 1.00 1.00 H new ATOM 0 HE1 MET X 1 59.514 5.060 6.797 1.00 1.00 H new ATOM 0 HE2 MET X 1 60.365 4.097 5.565 1.00 1.00 H new ATOM 0 HE3 MET X 1 60.909 5.751 5.935 1.00 1.00 H new ATOM 20 N GLY X 2 62.583 2.516 0.864 1.00 1.00 N ATOM 21 CA GLY X 2 63.783 2.568 0.037 1.00 1.00 C ATOM 22 C GLY X 2 63.502 2.029 -1.359 1.00 1.00 C ATOM 23 O GLY X 2 62.415 1.517 -1.629 1.00 1.00 O ATOM 0 H GLY X 2 62.560 1.745 1.532 1.00 1.00 H new ATOM 0 HA2 GLY X 2 64.139 3.596 -0.030 1.00 1.00 H new ATOM 0 HA3 GLY X 2 64.577 1.985 0.504 1.00 1.00 H new ATOM 27 N GLN X 3 64.488 2.151 -2.243 1.00 1.00 N ATOM 28 CA GLN X 3 64.341 1.677 -3.615 1.00 1.00 C ATOM 29 C GLN X 3 65.193 0.432 -3.845 1.00 1.00 C ATOM 30 O GLN X 3 66.385 0.420 -3.536 1.00 1.00 O ATOM 31 CB GLN X 3 64.770 2.776 -4.589 1.00 1.00 C ATOM 32 CG GLN X 3 63.882 4.009 -4.401 1.00 1.00 C ATOM 33 CD GLN X 3 62.443 3.688 -4.787 1.00 1.00 C ATOM 34 OE1 GLN X 3 62.196 3.123 -5.853 1.00 1.00 O ATOM 35 NE2 GLN X 3 61.470 4.028 -3.985 1.00 1.00 N ATOM 0 H GLN X 3 65.393 2.572 -2.035 1.00 1.00 H new ATOM 0 HA GLN X 3 63.295 1.424 -3.785 1.00 1.00 H new ATOM 0 HB2 GLN X 3 65.814 3.039 -4.419 1.00 1.00 H new ATOM 0 HB3 GLN X 3 64.695 2.415 -5.615 1.00 1.00 H new ATOM 0 HG2 GLN X 3 63.922 4.340 -3.363 1.00 1.00 H new ATOM 0 HG3 GLN X 3 64.255 4.831 -5.012 1.00 1.00 H new ATOM 0 HE21 GLN X 3 61.676 4.496 -3.102 1.00 1.00 H new ATOM 0 HE22 GLN X 3 60.504 3.826 -4.241 1.00 1.00 H new ATOM 44 N GLU X 4 64.576 -0.612 -4.392 1.00 1.00 N ATOM 45 CA GLU X 4 65.290 -1.857 -4.659 1.00 1.00 C ATOM 46 C GLU X 4 66.396 -1.639 -5.681 1.00 1.00 C ATOM 47 O GLU X 4 67.523 -2.102 -5.500 1.00 1.00 O ATOM 48 CB GLU X 4 64.316 -2.912 -5.184 1.00 1.00 C ATOM 49 CG GLU X 4 63.412 -3.372 -4.045 1.00 1.00 C ATOM 50 CD GLU X 4 62.359 -4.344 -4.567 1.00 1.00 C ATOM 51 OE1 GLU X 4 62.343 -4.586 -5.763 1.00 1.00 O ATOM 52 OE2 GLU X 4 61.570 -4.816 -3.765 1.00 1.00 O ATOM 0 H GLU X 4 63.591 -0.621 -4.657 1.00 1.00 H new ATOM 0 HA GLU X 4 65.738 -2.200 -3.726 1.00 1.00 H new ATOM 0 HB2 GLU X 4 63.717 -2.499 -5.995 1.00 1.00 H new ATOM 0 HB3 GLU X 4 64.865 -3.760 -5.593 1.00 1.00 H new ATOM 0 HG2 GLU X 4 64.008 -3.853 -3.269 1.00 1.00 H new ATOM 0 HG3 GLU X 4 62.927 -2.511 -3.586 1.00 1.00 H new ATOM 59 N LEU X 5 66.061 -0.932 -6.750 1.00 1.00 N ATOM 60 CA LEU X 5 67.027 -0.649 -7.807 1.00 1.00 C ATOM 61 C LEU X 5 67.388 0.833 -7.817 1.00 1.00 C ATOM 62 O LEU X 5 66.512 1.698 -7.813 1.00 1.00 O ATOM 63 CB LEU X 5 66.452 -1.051 -9.170 1.00 1.00 C ATOM 64 CG LEU X 5 67.526 -0.912 -10.258 1.00 1.00 C ATOM 65 CD1 LEU X 5 68.687 -1.874 -9.982 1.00 1.00 C ATOM 66 CD2 LEU X 5 66.913 -1.242 -11.620 1.00 1.00 C ATOM 0 H LEU X 5 65.131 -0.544 -6.911 1.00 1.00 H new ATOM 0 HA LEU X 5 67.929 -1.230 -7.614 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.092 -2.079 -9.133 1.00 1.00 H new ATOM 0 HB3 LEU X 5 65.595 -0.422 -9.412 1.00 1.00 H new ATOM 0 HG LEU X 5 67.902 0.111 -10.256 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.442 -1.766 -10.761 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.129 -1.642 -9.013 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.317 -2.899 -9.976 1.00 1.00 H new ATOM 0 HD21 LEU X 5 67.674 -1.144 -12.395 1.00 1.00 H new ATOM 0 HD22 LEU X 5 66.534 -2.264 -11.611 1.00 1.00 H new ATOM 0 HD23 LEU X 5 66.094 -0.553 -11.827 1.00 1.00 H new ATOM 78 N SER X 6 68.686 1.115 -7.829 1.00 1.00 N ATOM 79 CA SER X 6 69.161 2.492 -7.839 1.00 1.00 C ATOM 80 C SER X 6 70.467 2.593 -8.619 1.00 1.00 C ATOM 81 O SER X 6 71.136 1.589 -8.859 1.00 1.00 O ATOM 82 CB SER X 6 69.379 2.980 -6.405 1.00 1.00 C ATOM 83 OG SER X 6 70.650 2.538 -5.946 1.00 1.00 O ATOM 0 H SER X 6 69.425 0.411 -7.832 1.00 1.00 H new ATOM 0 HA SER X 6 68.410 3.117 -8.321 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.324 4.068 -6.367 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.592 2.598 -5.755 1.00 1.00 H new ATOM 0 HG SER X 6 70.793 2.850 -5.028 1.00 1.00 H new ATOM 89 N GLN X 7 70.816 3.809 -9.021 1.00 1.00 N ATOM 90 CA GLN X 7 72.036 4.029 -9.784 1.00 1.00 C ATOM 91 C GLN X 7 73.264 3.694 -8.943 1.00 1.00 C ATOM 92 O GLN X 7 74.296 3.285 -9.472 1.00 1.00 O ATOM 93 CB GLN X 7 72.098 5.490 -10.236 1.00 1.00 C ATOM 94 CG GLN X 7 73.263 5.688 -11.208 1.00 1.00 C ATOM 95 CD GLN X 7 72.994 4.925 -12.502 1.00 1.00 C ATOM 96 OE1 GLN X 7 71.853 4.867 -12.960 1.00 1.00 O ATOM 97 NE2 GLN X 7 73.976 4.313 -13.107 1.00 1.00 N ATOM 0 H GLN X 7 70.275 4.653 -8.832 1.00 1.00 H new ATOM 0 HA GLN X 7 72.028 3.376 -10.657 1.00 1.00 H new ATOM 0 HB2 GLN X 7 71.161 5.771 -10.717 1.00 1.00 H new ATOM 0 HB3 GLN X 7 72.220 6.142 -9.371 1.00 1.00 H new ATOM 0 HG2 GLN X 7 73.394 6.749 -11.421 1.00 1.00 H new ATOM 0 HG3 GLN X 7 74.190 5.337 -10.755 1.00 1.00 H new ATOM 0 HE21 GLN X 7 74.920 4.363 -12.725 1.00 1.00 H new ATOM 0 HE22 GLN X 7 73.799 3.785 -13.962 1.00 1.00 H new ATOM 106 N HIS X 8 73.142 3.870 -7.632 1.00 1.00 N ATOM 107 CA HIS X 8 74.248 3.579 -6.731 1.00 1.00 C ATOM 108 C HIS X 8 74.547 2.087 -6.736 1.00 1.00 C ATOM 109 O HIS X 8 75.706 1.672 -6.697 1.00 1.00 O ATOM 110 CB HIS X 8 73.902 4.035 -5.312 1.00 1.00 C ATOM 111 CG HIS X 8 73.918 5.537 -5.255 1.00 1.00 C ATOM 112 ND1 HIS X 8 72.843 6.304 -5.671 1.00 1.00 N ATOM 113 CD2 HIS X 8 74.877 6.430 -4.840 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.175 7.597 -5.501 1.00 1.00 C ATOM 115 NE2 HIS X 8 74.404 7.730 -4.997 1.00 1.00 N ATOM 0 H HIS X 8 72.296 4.210 -7.174 1.00 1.00 H new ATOM 0 HA HIS X 8 75.131 4.119 -7.073 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.919 3.659 -5.026 1.00 1.00 H new ATOM 0 HB3 HIS X 8 74.619 3.625 -4.601 1.00 1.00 H new ATOM 0 HD2 HIS X 8 75.849 6.164 -4.451 1.00 1.00 H new ATOM 0 HE1 HIS X 8 72.526 8.426 -5.743 1.00 1.00 H new ATOM 0 HE2 HIS X 8 74.892 8.598 -4.775 1.00 1.00 H new ATOM 123 N GLU X 9 73.490 1.285 -6.791 1.00 1.00 N ATOM 124 CA GLU X 9 73.645 -0.160 -6.810 1.00 1.00 C ATOM 125 C GLU X 9 74.354 -0.601 -8.092 1.00 1.00 C ATOM 126 O GLU X 9 75.138 -1.541 -8.086 1.00 1.00 O ATOM 127 CB GLU X 9 72.275 -0.833 -6.705 1.00 1.00 C ATOM 128 CG GLU X 9 71.690 -0.590 -5.312 1.00 1.00 C ATOM 129 CD GLU X 9 70.295 -1.200 -5.223 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.829 -1.710 -6.229 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.714 -1.149 -4.152 1.00 1.00 O ATOM 0 H GLU X 9 72.524 1.610 -6.823 1.00 1.00 H new ATOM 0 HA GLU X 9 74.253 -0.460 -5.957 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.604 -0.436 -7.467 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.369 -1.903 -6.890 1.00 1.00 H new ATOM 0 HG2 GLU X 9 72.338 -1.030 -4.554 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.643 0.480 -5.109 1.00 1.00 H new ATOM 138 N ARG X 10 74.078 0.082 -9.195 1.00 1.00 N ATOM 139 CA ARG X 10 74.714 -0.263 -10.460 1.00 1.00 C ATOM 140 C ARG X 10 76.219 -0.005 -10.393 1.00 1.00 C ATOM 141 O ARG X 10 77.018 -0.767 -10.938 1.00 1.00 O ATOM 142 CB ARG X 10 74.099 0.560 -11.590 1.00 1.00 C ATOM 143 CG ARG X 10 72.658 0.107 -11.806 1.00 1.00 C ATOM 144 CD ARG X 10 72.056 0.858 -12.993 1.00 1.00 C ATOM 145 NE ARG X 10 70.686 0.420 -13.225 1.00 1.00 N ATOM 146 CZ ARG X 10 70.083 0.657 -14.385 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.717 1.291 -15.333 1.00 1.00 N ATOM 148 NH2 ARG X 10 68.856 0.254 -14.577 1.00 1.00 N ATOM 0 H ARG X 10 73.428 0.867 -9.241 1.00 1.00 H new ATOM 0 HA ARG X 10 74.551 -1.323 -10.653 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.127 1.621 -11.342 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.675 0.432 -12.506 1.00 1.00 H new ATOM 0 HG2 ARG X 10 72.628 -0.967 -11.989 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.069 0.294 -10.908 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.075 1.931 -12.801 1.00 1.00 H new ATOM 0 HD3 ARG X 10 72.657 0.684 -13.885 1.00 1.00 H new ATOM 0 HE ARG X 10 70.184 -0.075 -12.488 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.676 1.605 -15.184 1.00 1.00 H new ATOM 0 HH12 ARG X 10 70.254 1.473 -16.223 1.00 1.00 H new ATOM 0 HH21 ARG X 10 68.361 -0.243 -13.837 1.00 1.00 H new ATOM 0 HH22 ARG X 10 68.393 0.436 -15.467 1.00 1.00 H new ATOM 162 N TYR X 11 76.595 1.079 -9.727 1.00 1.00 N ATOM 163 CA TYR X 11 78.004 1.439 -9.599 1.00 1.00 C ATOM 164 C TYR X 11 78.786 0.354 -8.864 1.00 1.00 C ATOM 165 O TYR X 11 79.898 -0.005 -9.261 1.00 1.00 O ATOM 166 CB TYR X 11 78.136 2.753 -8.829 1.00 1.00 C ATOM 167 CG TYR X 11 79.598 3.082 -8.646 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.333 3.593 -9.722 1.00 1.00 C ATOM 169 CD2 TYR X 11 80.219 2.885 -7.406 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.689 3.904 -9.560 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.574 3.196 -7.244 1.00 1.00 C ATOM 172 CZ TYR X 11 82.308 3.706 -8.320 1.00 1.00 C ATOM 173 OH TYR X 11 83.645 4.014 -8.160 1.00 1.00 O ATOM 0 H TYR X 11 75.949 1.722 -9.269 1.00 1.00 H new ATOM 0 HA TYR X 11 78.414 1.549 -10.603 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.636 3.556 -9.370 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.646 2.670 -7.859 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.854 3.748 -10.678 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.652 2.493 -6.575 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.257 4.296 -10.391 1.00 1.00 H new ATOM 0 HE2 TYR X 11 82.053 3.042 -6.288 1.00 1.00 H new ATOM 0 HH TYR X 11 83.918 3.819 -7.239 1.00 1.00 H new ATOM 183 N VAL X 12 78.211 -0.148 -7.778 1.00 1.00 N ATOM 184 CA VAL X 12 78.880 -1.171 -6.982 1.00 1.00 C ATOM 185 C VAL X 12 79.056 -2.450 -7.795 1.00 1.00 C ATOM 186 O VAL X 12 80.021 -3.189 -7.602 1.00 1.00 O ATOM 187 CB VAL X 12 78.091 -1.461 -5.697 1.00 1.00 C ATOM 188 CG1 VAL X 12 77.148 -2.648 -5.902 1.00 1.00 C ATOM 189 CG2 VAL X 12 79.068 -1.779 -4.568 1.00 1.00 C ATOM 0 H VAL X 12 77.294 0.132 -7.431 1.00 1.00 H new ATOM 0 HA VAL X 12 79.865 -0.796 -6.704 1.00 1.00 H new ATOM 0 HB VAL X 12 77.498 -0.583 -5.442 1.00 1.00 H new ATOM 0 HG11 VAL X 12 76.597 -2.839 -4.981 1.00 1.00 H new ATOM 0 HG12 VAL X 12 76.446 -2.421 -6.704 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.728 -3.532 -6.167 1.00 1.00 H new ATOM 0 HG21 VAL X 12 78.512 -1.986 -3.653 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.663 -2.652 -4.836 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.728 -0.926 -4.407 1.00 1.00 H new ATOM 199 N GLU X 13 78.117 -2.705 -8.705 1.00 1.00 N ATOM 200 CA GLU X 13 78.179 -3.885 -9.535 1.00 1.00 C ATOM 201 C GLU X 13 79.422 -3.828 -10.408 1.00 1.00 C ATOM 202 O GLU X 13 80.107 -4.836 -10.607 1.00 1.00 O ATOM 203 CB GLU X 13 76.922 -3.951 -10.403 1.00 1.00 C ATOM 204 CG GLU X 13 76.960 -5.215 -11.241 1.00 1.00 C ATOM 205 CD GLU X 13 75.677 -5.350 -12.054 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.957 -4.371 -12.158 1.00 1.00 O ATOM 207 OE2 GLU X 13 75.427 -6.437 -12.550 1.00 1.00 O ATOM 0 H GLU X 13 77.310 -2.106 -8.878 1.00 1.00 H new ATOM 0 HA GLU X 13 78.231 -4.777 -8.911 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.031 -3.943 -9.775 1.00 1.00 H new ATOM 0 HB3 GLU X 13 76.865 -3.074 -11.048 1.00 1.00 H new ATOM 0 HG2 GLU X 13 77.821 -5.191 -11.909 1.00 1.00 H new ATOM 0 HG3 GLU X 13 77.082 -6.084 -10.595 1.00 1.00 H new ATOM 214 N GLN X 14 79.716 -2.638 -10.918 1.00 1.00 N ATOM 215 CA GLN X 14 80.894 -2.467 -11.760 1.00 1.00 C ATOM 216 C GLN X 14 82.151 -2.773 -10.963 1.00 1.00 C ATOM 217 O GLN X 14 83.100 -3.360 -11.484 1.00 1.00 O ATOM 218 CB GLN X 14 80.969 -1.044 -12.321 1.00 1.00 C ATOM 219 CG GLN X 14 79.851 -0.832 -13.342 1.00 1.00 C ATOM 220 CD GLN X 14 79.964 0.558 -13.959 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.929 1.277 -13.701 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.036 0.974 -14.776 1.00 1.00 N ATOM 0 H GLN X 14 79.167 -1.792 -10.768 1.00 1.00 H new ATOM 0 HA GLN X 14 80.816 -3.161 -12.597 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.878 -0.319 -11.512 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.939 -0.878 -12.790 1.00 1.00 H new ATOM 0 HG2 GLN X 14 79.911 -1.591 -14.122 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.880 -0.947 -12.860 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.237 0.376 -14.988 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.109 1.897 -15.203 1.00 1.00 H new ATOM 231 N LEU X 15 82.155 -2.380 -9.695 1.00 1.00 N ATOM 232 CA LEU X 15 83.309 -2.634 -8.842 1.00 1.00 C ATOM 233 C LEU X 15 83.532 -4.128 -8.697 1.00 1.00 C ATOM 234 O LEU X 15 84.663 -4.594 -8.684 1.00 1.00 O ATOM 235 CB LEU X 15 83.102 -2.044 -7.449 1.00 1.00 C ATOM 236 CG LEU X 15 83.061 -0.512 -7.544 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.653 0.078 -6.193 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.442 0.030 -7.939 1.00 1.00 C ATOM 0 H LEU X 15 81.384 -1.891 -9.240 1.00 1.00 H new ATOM 0 HA LEU X 15 84.174 -2.164 -9.310 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.173 -2.417 -7.018 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.909 -2.357 -6.786 1.00 1.00 H new ATOM 0 HG LEU X 15 82.333 -0.226 -8.303 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.625 1.165 -6.264 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.666 -0.293 -5.917 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.377 -0.217 -5.433 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.401 1.117 -8.003 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.176 -0.262 -7.188 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.731 -0.380 -8.907 1.00 1.00 H new ATOM 250 N LYS X 16 82.446 -4.876 -8.560 1.00 1.00 N ATOM 251 CA LYS X 16 82.561 -6.313 -8.387 1.00 1.00 C ATOM 252 C LYS X 16 83.322 -6.932 -9.553 1.00 1.00 C ATOM 253 O LYS X 16 84.238 -7.715 -9.346 1.00 1.00 O ATOM 254 CB LYS X 16 81.172 -6.944 -8.326 1.00 1.00 C ATOM 255 CG LYS X 16 81.299 -8.422 -7.947 1.00 1.00 C ATOM 256 CD LYS X 16 79.921 -9.074 -7.990 1.00 1.00 C ATOM 257 CE LYS X 16 80.033 -10.544 -7.581 1.00 1.00 C ATOM 258 NZ LYS X 16 78.685 -11.174 -7.636 1.00 1.00 N ATOM 0 H LYS X 16 81.491 -4.517 -8.565 1.00 1.00 H new ATOM 0 HA LYS X 16 83.100 -6.500 -7.458 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.555 -6.422 -7.594 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.674 -6.846 -9.291 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.975 -8.929 -8.635 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.728 -8.518 -6.950 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.239 -8.551 -7.319 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.503 -8.997 -8.994 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.719 -11.067 -8.247 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.443 -10.623 -6.574 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 78.776 -12.162 -7.948 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.251 -11.148 -6.691 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.085 -10.653 -8.307 1.00 1.00 H new ATOM 272 N GLN X 17 82.937 -6.585 -10.779 1.00 1.00 N ATOM 273 CA GLN X 17 83.600 -7.145 -11.957 1.00 1.00 C ATOM 274 C GLN X 17 85.058 -6.690 -12.055 1.00 1.00 C ATOM 275 O GLN X 17 85.963 -7.510 -12.217 1.00 1.00 O ATOM 276 CB GLN X 17 82.844 -6.727 -13.221 1.00 1.00 C ATOM 277 CG GLN X 17 81.455 -7.372 -13.225 1.00 1.00 C ATOM 278 CD GLN X 17 81.575 -8.884 -13.394 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.184 -9.355 -14.356 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.026 -9.676 -12.515 1.00 1.00 N ATOM 0 H GLN X 17 82.182 -5.930 -10.983 1.00 1.00 H new ATOM 0 HA GLN X 17 83.593 -8.231 -11.861 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.752 -5.642 -13.260 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.400 -7.032 -14.107 1.00 1.00 H new ATOM 0 HG2 GLN X 17 80.937 -7.143 -12.293 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.855 -6.955 -14.034 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.522 -9.284 -11.719 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.100 -10.688 -12.623 1.00 1.00 H new ATOM 289 N ALA X 18 85.278 -5.383 -11.970 1.00 1.00 N ATOM 290 CA ALA X 18 86.631 -4.838 -12.069 1.00 1.00 C ATOM 291 C ALA X 18 87.530 -5.372 -10.955 1.00 1.00 C ATOM 292 O ALA X 18 88.637 -5.844 -11.213 1.00 1.00 O ATOM 293 CB ALA X 18 86.581 -3.312 -11.988 1.00 1.00 C ATOM 0 H ALA X 18 84.546 -4.685 -11.834 1.00 1.00 H new ATOM 0 HA ALA X 18 87.048 -5.149 -13.027 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.592 -2.910 -12.062 1.00 1.00 H new ATOM 0 HB2 ALA X 18 85.975 -2.924 -12.807 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.140 -3.012 -11.037 1.00 1.00 H new ATOM 299 N LEU X 19 87.050 -5.285 -9.722 1.00 1.00 N ATOM 300 CA LEU X 19 87.818 -5.750 -8.573 1.00 1.00 C ATOM 301 C LEU X 19 88.021 -7.264 -8.640 1.00 1.00 C ATOM 302 O LEU X 19 89.067 -7.771 -8.236 1.00 1.00 O ATOM 303 CB LEU X 19 87.112 -5.352 -7.263 1.00 1.00 C ATOM 304 CG LEU X 19 87.030 -3.821 -7.128 1.00 1.00 C ATOM 305 CD1 LEU X 19 86.211 -3.478 -5.885 1.00 1.00 C ATOM 306 CD2 LEU X 19 88.423 -3.196 -6.977 1.00 1.00 C ATOM 0 H LEU X 19 86.135 -4.898 -9.491 1.00 1.00 H new ATOM 0 HA LEU X 19 88.799 -5.275 -8.594 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.109 -5.777 -7.242 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.653 -5.768 -6.413 1.00 1.00 H new ATOM 0 HG LEU X 19 86.565 -3.424 -8.030 1.00 1.00 H new ATOM 0 HD11 LEU X 19 86.146 -2.395 -5.779 1.00 1.00 H new ATOM 0 HD12 LEU X 19 85.208 -3.894 -5.984 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.693 -3.900 -5.003 1.00 1.00 H new ATOM 0 HD21 LEU X 19 88.328 -2.114 -6.884 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.906 -3.596 -6.086 1.00 1.00 H new ATOM 0 HD23 LEU X 19 89.025 -3.433 -7.854 1.00 1.00 H new ATOM 318 N LYS X 20 87.030 -7.987 -9.153 1.00 1.00 N ATOM 319 CA LYS X 20 87.142 -9.441 -9.256 1.00 1.00 C ATOM 320 C LYS X 20 88.376 -9.832 -10.060 1.00 1.00 C ATOM 321 O LYS X 20 89.085 -10.771 -9.703 1.00 1.00 O ATOM 322 CB LYS X 20 85.885 -10.023 -9.913 1.00 1.00 C ATOM 323 CG LYS X 20 86.013 -11.541 -10.068 1.00 1.00 C ATOM 324 CD LYS X 20 84.697 -12.101 -10.617 1.00 1.00 C ATOM 325 CE LYS X 20 84.804 -13.619 -10.761 1.00 1.00 C ATOM 326 NZ LYS X 20 85.808 -13.942 -11.814 1.00 1.00 N ATOM 0 H LYS X 20 86.153 -7.599 -9.499 1.00 1.00 H new ATOM 0 HA LYS X 20 87.241 -9.848 -8.250 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.009 -9.786 -9.309 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.732 -9.564 -10.890 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.835 -11.782 -10.742 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.245 -11.999 -9.106 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.875 -11.846 -9.948 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.473 -11.649 -11.583 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.098 -14.066 -9.812 1.00 1.00 H new ATOM 0 HE3 LYS X 20 83.834 -14.040 -11.025 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 85.663 -14.917 -12.145 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 85.697 -13.285 -12.613 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 86.766 -13.849 -11.420 1.00 1.00 H new ATOM 340 N THR X 21 88.631 -9.109 -11.139 1.00 1.00 N ATOM 341 CA THR X 21 89.787 -9.400 -11.975 1.00 1.00 C ATOM 342 C THR X 21 91.084 -9.105 -11.218 1.00 1.00 C ATOM 343 O THR X 21 92.152 -9.591 -11.591 1.00 1.00 O ATOM 344 CB THR X 21 89.724 -8.570 -13.262 1.00 1.00 C ATOM 345 OG1 THR X 21 89.773 -7.188 -12.938 1.00 1.00 O ATOM 346 CG2 THR X 21 88.417 -8.872 -14.002 1.00 1.00 C ATOM 0 H THR X 21 88.061 -8.325 -11.455 1.00 1.00 H new ATOM 0 HA THR X 21 89.773 -10.459 -12.235 1.00 1.00 H new ATOM 0 HB THR X 21 90.571 -8.825 -13.899 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.178 -7.008 -12.181 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.372 -8.282 -14.917 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.377 -9.932 -14.252 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.571 -8.617 -13.364 1.00 1.00 H new ATOM 354 N ARG X 22 90.984 -8.300 -10.160 1.00 1.00 N ATOM 355 CA ARG X 22 92.156 -7.941 -9.365 1.00 1.00 C ATOM 356 C ARG X 22 92.416 -8.954 -8.250 1.00 1.00 C ATOM 357 O ARG X 22 93.437 -8.878 -7.563 1.00 1.00 O ATOM 358 CB ARG X 22 91.956 -6.557 -8.758 1.00 1.00 C ATOM 359 CG ARG X 22 91.786 -5.549 -9.889 1.00 1.00 C ATOM 360 CD ARG X 22 91.671 -4.142 -9.310 1.00 1.00 C ATOM 361 NE ARG X 22 91.555 -3.164 -10.387 1.00 1.00 N ATOM 362 CZ ARG X 22 90.373 -2.835 -10.900 1.00 1.00 C ATOM 363 NH1 ARG X 22 89.286 -3.399 -10.449 1.00 1.00 N ATOM 364 NH2 ARG X 22 90.300 -1.948 -11.855 1.00 1.00 N ATOM 0 H ARG X 22 90.109 -7.887 -9.836 1.00 1.00 H new ATOM 0 HA ARG X 22 93.022 -7.940 -10.027 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.079 -6.551 -8.111 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.811 -6.289 -8.138 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.636 -5.604 -10.569 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.896 -5.787 -10.471 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.801 -4.079 -8.656 1.00 1.00 H new ATOM 0 HD3 ARG X 22 92.546 -3.919 -8.699 1.00 1.00 H new ATOM 0 HE ARG X 22 92.399 -2.723 -10.754 1.00 1.00 H new ATOM 0 HH11 ARG X 22 89.343 -4.092 -9.703 1.00 1.00 H new ATOM 0 HH12 ARG X 22 88.379 -3.147 -10.843 1.00 1.00 H new ATOM 0 HH21 ARG X 22 91.150 -1.507 -12.208 1.00 1.00 H new ATOM 0 HH22 ARG X 22 89.393 -1.696 -12.248 1.00 1.00 H new ATOM 378 N GLY X 23 91.496 -9.898 -8.072 1.00 1.00 N ATOM 379 CA GLY X 23 91.644 -10.917 -7.038 1.00 1.00 C ATOM 380 C GLY X 23 90.663 -10.691 -5.895 1.00 1.00 C ATOM 381 O GLY X 23 90.875 -11.170 -4.780 1.00 1.00 O ATOM 0 H GLY X 23 90.644 -9.978 -8.627 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.481 -11.904 -7.471 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.664 -10.903 -6.653 1.00 1.00 H new ATOM 385 N VAL X 24 89.588 -9.957 -6.174 1.00 1.00 N ATOM 386 CA VAL X 24 88.588 -9.680 -5.150 1.00 1.00 C ATOM 387 C VAL X 24 87.385 -10.608 -5.288 1.00 1.00 C ATOM 388 O VAL X 24 86.525 -10.402 -6.141 1.00 1.00 O ATOM 389 CB VAL X 24 88.121 -8.228 -5.256 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.108 -7.924 -4.149 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.325 -7.296 -5.120 1.00 1.00 C ATOM 0 H VAL X 24 89.390 -9.549 -7.088 1.00 1.00 H new ATOM 0 HA VAL X 24 89.049 -9.851 -4.177 1.00 1.00 H new ATOM 0 HB VAL X 24 87.647 -8.073 -6.225 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.780 -6.888 -4.231 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.248 -8.586 -4.251 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.574 -8.081 -3.176 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.994 -6.260 -5.195 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.801 -7.455 -4.152 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.040 -7.507 -5.915 1.00 1.00 H new ATOM 401 N LYS X 25 87.323 -11.624 -4.432 1.00 1.00 N ATOM 402 CA LYS X 25 86.210 -12.565 -4.468 1.00 1.00 C ATOM 403 C LYS X 25 85.208 -12.242 -3.367 1.00 1.00 C ATOM 404 O LYS X 25 85.346 -12.700 -2.232 1.00 1.00 O ATOM 405 CB LYS X 25 86.728 -13.991 -4.289 1.00 1.00 C ATOM 406 CG LYS X 25 87.531 -14.397 -5.524 1.00 1.00 C ATOM 407 CD LYS X 25 88.042 -15.829 -5.349 1.00 1.00 C ATOM 408 CE LYS X 25 88.767 -16.276 -6.619 1.00 1.00 C ATOM 409 NZ LYS X 25 89.968 -15.421 -6.833 1.00 1.00 N ATOM 0 H LYS X 25 88.021 -11.815 -3.714 1.00 1.00 H new ATOM 0 HA LYS X 25 85.713 -12.480 -5.434 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.353 -14.054 -3.398 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.894 -14.677 -4.142 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.908 -14.328 -6.416 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.369 -13.715 -5.667 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.717 -15.883 -4.495 1.00 1.00 H new ATOM 0 HD3 LYS X 25 87.209 -16.500 -5.139 1.00 1.00 H new ATOM 0 HE2 LYS X 25 89.063 -17.322 -6.533 1.00 1.00 H new ATOM 0 HE3 LYS X 25 88.098 -16.203 -7.477 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 90.609 -15.886 -7.507 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.674 -14.499 -7.214 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 90.460 -15.280 -5.927 1.00 1.00 H new ATOM 423 N VAL X 26 84.203 -11.447 -3.712 1.00 1.00 N ATOM 424 CA VAL X 26 83.180 -11.059 -2.749 1.00 1.00 C ATOM 425 C VAL X 26 81.790 -11.158 -3.374 1.00 1.00 C ATOM 426 O VAL X 26 81.638 -11.056 -4.591 1.00 1.00 O ATOM 427 CB VAL X 26 83.428 -9.624 -2.282 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.187 -9.105 -1.562 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.618 -9.588 -1.321 1.00 1.00 C ATOM 0 H VAL X 26 84.074 -11.060 -4.647 1.00 1.00 H new ATOM 0 HA VAL X 26 83.231 -11.736 -1.896 1.00 1.00 H new ATOM 0 HB VAL X 26 83.643 -8.998 -3.148 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.361 -8.082 -1.228 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.336 -9.124 -2.243 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.976 -9.737 -0.700 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.789 -8.563 -0.992 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.406 -10.216 -0.456 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.508 -9.959 -1.830 1.00 1.00 H new ATOM 439 N LYS X 27 80.777 -11.357 -2.534 1.00 1.00 N ATOM 440 CA LYS X 27 79.405 -11.469 -3.012 1.00 1.00 C ATOM 441 C LYS X 27 78.874 -10.109 -3.459 1.00 1.00 C ATOM 442 O LYS X 27 79.235 -9.076 -2.900 1.00 1.00 O ATOM 443 CB LYS X 27 78.531 -11.993 -1.883 1.00 1.00 C ATOM 444 CG LYS X 27 79.069 -13.346 -1.431 1.00 1.00 C ATOM 445 CD LYS X 27 78.251 -13.842 -0.245 1.00 1.00 C ATOM 446 CE LYS X 27 78.826 -15.170 0.233 1.00 1.00 C ATOM 447 NZ LYS X 27 77.989 -15.698 1.346 1.00 1.00 N ATOM 0 H LYS X 27 80.882 -11.443 -1.523 1.00 1.00 H new ATOM 0 HA LYS X 27 79.384 -12.150 -3.862 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.530 -11.290 -1.050 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.499 -12.091 -2.219 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.016 -14.063 -2.250 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.119 -13.258 -1.152 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.275 -13.109 0.562 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.207 -13.965 -0.533 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.851 -15.885 -0.589 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.854 -15.034 0.569 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 78.379 -16.604 1.674 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.987 -15.017 2.132 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 77.015 -15.842 1.010 1.00 1.00 H new ATOM 461 N TYR X 28 78.009 -10.114 -4.462 1.00 1.00 N ATOM 462 CA TYR X 28 77.437 -8.870 -4.961 1.00 1.00 C ATOM 463 C TYR X 28 76.678 -8.147 -3.858 1.00 1.00 C ATOM 464 O TYR X 28 76.832 -6.941 -3.669 1.00 1.00 O ATOM 465 CB TYR X 28 76.498 -9.171 -6.130 1.00 1.00 C ATOM 466 CG TYR X 28 75.721 -7.928 -6.500 1.00 1.00 C ATOM 467 CD1 TYR X 28 76.401 -6.772 -6.899 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.323 -7.932 -6.438 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.682 -5.619 -7.236 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.604 -6.780 -6.776 1.00 1.00 C ATOM 471 CZ TYR X 28 74.284 -5.622 -7.175 1.00 1.00 C ATOM 472 OH TYR X 28 73.574 -4.486 -7.509 1.00 1.00 O ATOM 0 H TYR X 28 77.690 -10.955 -4.943 1.00 1.00 H new ATOM 0 HA TYR X 28 78.246 -8.224 -5.301 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.072 -9.520 -6.988 1.00 1.00 H new ATOM 0 HB3 TYR X 28 75.811 -9.972 -5.859 1.00 1.00 H new ATOM 0 HD1 TYR X 28 77.480 -6.769 -6.947 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.799 -8.824 -6.129 1.00 1.00 H new ATOM 0 HE1 TYR X 28 76.207 -4.726 -7.543 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.525 -6.784 -6.729 1.00 1.00 H new ATOM 0 HH TYR X 28 72.614 -4.660 -7.413 1.00 1.00 H new ATOM 482 N ALA X 29 75.862 -8.894 -3.134 1.00 1.00 N ATOM 483 CA ALA X 29 75.077 -8.327 -2.047 1.00 1.00 C ATOM 484 C ALA X 29 75.977 -7.743 -0.959 1.00 1.00 C ATOM 485 O ALA X 29 75.617 -6.765 -0.311 1.00 1.00 O ATOM 486 CB ALA X 29 74.181 -9.408 -1.437 1.00 1.00 C ATOM 0 H ALA X 29 75.725 -9.894 -3.278 1.00 1.00 H new ATOM 0 HA ALA X 29 74.465 -7.523 -2.457 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.595 -8.979 -0.624 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.509 -9.798 -2.202 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.800 -10.218 -1.050 1.00 1.00 H new ATOM 492 N ASP X 30 77.140 -8.348 -0.749 1.00 1.00 N ATOM 493 CA ASP X 30 78.054 -7.864 0.286 1.00 1.00 C ATOM 494 C ASP X 30 78.469 -6.420 0.017 1.00 1.00 C ATOM 495 O ASP X 30 78.346 -5.561 0.887 1.00 1.00 O ATOM 496 CB ASP X 30 79.294 -8.754 0.340 1.00 1.00 C ATOM 497 CG ASP X 30 80.290 -8.212 1.359 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.930 -7.304 2.089 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.399 -8.720 1.397 1.00 1.00 O ATOM 0 H ASP X 30 77.471 -9.160 -1.269 1.00 1.00 H new ATOM 0 HA ASP X 30 77.535 -7.901 1.244 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.008 -9.772 0.606 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.760 -8.801 -0.644 1.00 1.00 H new ATOM 504 N LEU X 31 78.959 -6.158 -1.190 1.00 1.00 N ATOM 505 CA LEU X 31 79.379 -4.810 -1.557 1.00 1.00 C ATOM 506 C LEU X 31 78.179 -3.873 -1.629 1.00 1.00 C ATOM 507 O LEU X 31 78.266 -2.716 -1.230 1.00 1.00 O ATOM 508 CB LEU X 31 80.096 -4.813 -2.912 1.00 1.00 C ATOM 509 CG LEU X 31 81.435 -5.545 -2.808 1.00 1.00 C ATOM 510 CD1 LEU X 31 82.052 -5.673 -4.199 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.396 -4.775 -1.892 1.00 1.00 C ATOM 0 H LEU X 31 79.075 -6.855 -1.926 1.00 1.00 H new ATOM 0 HA LEU X 31 80.066 -4.458 -0.788 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.468 -5.296 -3.661 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.260 -3.788 -3.246 1.00 1.00 H new ATOM 0 HG LEU X 31 81.264 -6.535 -2.386 1.00 1.00 H new ATOM 0 HD11 LEU X 31 83.006 -6.194 -4.127 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.379 -6.236 -4.845 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.212 -4.680 -4.619 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.344 -5.309 -1.828 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.567 -3.779 -2.300 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.960 -4.690 -0.897 1.00 1.00 H new ATOM 523 N LEU X 32 77.063 -4.370 -2.157 1.00 1.00 N ATOM 524 CA LEU X 32 75.871 -3.543 -2.282 1.00 1.00 C ATOM 525 C LEU X 32 75.391 -3.105 -0.903 1.00 1.00 C ATOM 526 O LEU X 32 75.121 -1.926 -0.673 1.00 1.00 O ATOM 527 CB LEU X 32 74.773 -4.333 -3.012 1.00 1.00 C ATOM 528 CG LEU X 32 73.559 -3.436 -3.288 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.020 -3.728 -4.692 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.458 -3.720 -2.266 1.00 1.00 C ATOM 0 H LEU X 32 76.961 -5.325 -2.499 1.00 1.00 H new ATOM 0 HA LEU X 32 76.108 -2.650 -2.861 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.163 -4.726 -3.951 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.471 -5.189 -2.409 1.00 1.00 H new ATOM 0 HG LEU X 32 73.864 -2.392 -3.214 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.157 -3.092 -4.890 1.00 1.00 H new ATOM 0 HD12 LEU X 32 73.797 -3.526 -5.429 1.00 1.00 H new ATOM 0 HD13 LEU X 32 72.722 -4.774 -4.757 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.600 -3.079 -2.468 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.156 -4.765 -2.337 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.832 -3.518 -1.262 1.00 1.00 H new ATOM 542 N LYS X 33 75.310 -4.059 0.015 1.00 1.00 N ATOM 543 CA LYS X 33 74.887 -3.763 1.375 1.00 1.00 C ATOM 544 C LYS X 33 75.948 -2.942 2.101 1.00 1.00 C ATOM 545 O LYS X 33 75.626 -1.986 2.808 1.00 1.00 O ATOM 546 CB LYS X 33 74.629 -5.066 2.131 1.00 1.00 C ATOM 547 CG LYS X 33 73.425 -5.774 1.512 1.00 1.00 C ATOM 548 CD LYS X 33 73.224 -7.124 2.193 1.00 1.00 C ATOM 549 CE LYS X 33 72.134 -7.900 1.459 1.00 1.00 C ATOM 550 NZ LYS X 33 70.859 -7.132 1.513 1.00 1.00 N ATOM 0 H LYS X 33 75.531 -5.040 -0.157 1.00 1.00 H new ATOM 0 HA LYS X 33 73.967 -3.180 1.335 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.508 -5.709 2.083 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.442 -4.859 3.185 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.531 -5.161 1.625 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.582 -5.914 0.442 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.156 -7.690 2.188 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.944 -6.980 3.237 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.427 -8.068 0.423 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.000 -8.881 1.915 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.066 -7.757 1.263 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.718 -6.761 2.474 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.901 -6.341 0.839 1.00 1.00 H new ATOM 564 N PHE X 34 77.217 -3.320 1.934 1.00 1.00 N ATOM 565 CA PHE X 34 78.294 -2.606 2.597 1.00 1.00 C ATOM 566 C PHE X 34 78.353 -1.153 2.127 1.00 1.00 C ATOM 567 O PHE X 34 78.514 -0.232 2.929 1.00 1.00 O ATOM 568 CB PHE X 34 79.647 -3.294 2.345 1.00 1.00 C ATOM 569 CG PHE X 34 80.794 -2.492 2.963 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.581 -1.680 4.082 1.00 1.00 C ATOM 571 CD2 PHE X 34 82.065 -2.565 2.382 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.641 -0.940 4.621 1.00 1.00 C ATOM 573 CE2 PHE X 34 83.125 -1.826 2.920 1.00 1.00 C ATOM 574 CZ PHE X 34 82.912 -1.013 4.041 1.00 1.00 C ATOM 0 H PHE X 34 77.515 -4.104 1.354 1.00 1.00 H new ATOM 0 HA PHE X 34 78.090 -2.620 3.668 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.632 -4.299 2.767 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.810 -3.401 1.273 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.600 -1.624 4.530 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.228 -3.192 1.518 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.477 -0.313 5.485 1.00 1.00 H new ATOM 0 HE2 PHE X 34 84.106 -1.882 2.472 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.729 -0.443 4.457 1.00 1.00 H new ATOM 584 N PHE X 35 78.221 -0.961 0.820 1.00 1.00 N ATOM 585 CA PHE X 35 78.259 0.378 0.243 1.00 1.00 C ATOM 586 C PHE X 35 77.177 1.240 0.878 1.00 1.00 C ATOM 587 O PHE X 35 77.412 2.393 1.230 1.00 1.00 O ATOM 588 CB PHE X 35 78.044 0.304 -1.271 1.00 1.00 C ATOM 589 CG PHE X 35 78.320 1.656 -1.885 1.00 1.00 C ATOM 590 CD1 PHE X 35 77.324 2.639 -1.896 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.576 1.925 -2.440 1.00 1.00 C ATOM 592 CE1 PHE X 35 77.584 3.893 -2.462 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.837 3.178 -3.006 1.00 1.00 C ATOM 594 CZ PHE X 35 78.842 4.162 -3.017 1.00 1.00 C ATOM 0 H PHE X 35 78.087 -1.711 0.142 1.00 1.00 H new ATOM 0 HA PHE X 35 79.235 0.823 0.439 1.00 1.00 H new ATOM 0 HB2 PHE X 35 78.704 -0.447 -1.707 1.00 1.00 H new ATOM 0 HB3 PHE X 35 77.022 -0.005 -1.489 1.00 1.00 H new ATOM 0 HD1 PHE X 35 76.355 2.430 -1.468 1.00 1.00 H new ATOM 0 HD2 PHE X 35 80.344 1.166 -2.432 1.00 1.00 H new ATOM 0 HE1 PHE X 35 76.816 4.652 -2.471 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.806 3.386 -3.434 1.00 1.00 H new ATOM 0 HZ PHE X 35 79.044 5.129 -3.453 1.00 1.00 H new ATOM 604 N ASP X 36 75.989 0.674 1.027 1.00 1.00 N ATOM 605 CA ASP X 36 74.890 1.406 1.636 1.00 1.00 C ATOM 606 C ASP X 36 75.149 1.612 3.129 1.00 1.00 C ATOM 607 O ASP X 36 74.609 2.534 3.736 1.00 1.00 O ATOM 608 CB ASP X 36 73.572 0.649 1.440 1.00 1.00 C ATOM 609 CG ASP X 36 72.396 1.595 1.650 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.622 2.688 2.143 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.289 1.222 1.298 1.00 1.00 O ATOM 0 H ASP X 36 75.763 -0.278 0.739 1.00 1.00 H new ATOM 0 HA ASP X 36 74.817 2.379 1.151 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.533 0.223 0.438 1.00 1.00 H new ATOM 0 HB3 ASP X 36 73.512 -0.182 2.143 1.00 1.00 H new ATOM 616 N PHE X 37 75.961 0.737 3.723 1.00 1.00 N ATOM 617 CA PHE X 37 76.256 0.830 5.156 1.00 1.00 C ATOM 618 C PHE X 37 76.925 2.160 5.502 1.00 1.00 C ATOM 619 O PHE X 37 76.468 2.880 6.392 1.00 1.00 O ATOM 620 CB PHE X 37 77.211 -0.294 5.555 1.00 1.00 C ATOM 621 CG PHE X 37 77.250 -0.436 7.056 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.976 0.478 7.829 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.555 -1.480 7.678 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.006 0.349 9.223 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.584 -1.610 9.071 1.00 1.00 C ATOM 626 CZ PHE X 37 77.310 -0.695 9.843 1.00 1.00 C ATOM 0 H PHE X 37 76.422 -0.036 3.243 1.00 1.00 H new ATOM 0 HA PHE X 37 75.311 0.752 5.694 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.890 -1.232 5.102 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.211 -0.083 5.176 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.513 1.283 7.350 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.996 -2.186 7.082 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.566 1.054 9.819 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.047 -2.415 9.550 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.333 -0.795 10.918 1.00 1.00 H new ATOM 636 N VAL X 38 78.015 2.480 4.802 1.00 1.00 N ATOM 637 CA VAL X 38 78.728 3.731 5.074 1.00 1.00 C ATOM 638 C VAL X 38 77.872 4.915 4.688 1.00 1.00 C ATOM 639 O VAL X 38 77.826 5.909 5.396 1.00 1.00 O ATOM 640 CB VAL X 38 80.055 3.794 4.309 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.797 3.990 2.821 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.892 4.976 4.809 1.00 1.00 C ATOM 0 H VAL X 38 78.416 1.907 4.060 1.00 1.00 H new ATOM 0 HA VAL X 38 78.941 3.764 6.142 1.00 1.00 H new ATOM 0 HB VAL X 38 80.588 2.858 4.474 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.748 4.033 2.289 1.00 1.00 H new ATOM 0 HG12 VAL X 38 79.206 3.156 2.441 1.00 1.00 H new ATOM 0 HG13 VAL X 38 79.252 4.921 2.666 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.833 5.013 4.260 1.00 1.00 H new ATOM 0 HG22 VAL X 38 80.342 5.904 4.651 1.00 1.00 H new ATOM 0 HG23 VAL X 38 81.097 4.853 5.872 1.00 1.00 H new ATOM 652 N LYS X 39 77.198 4.806 3.557 1.00 1.00 N ATOM 653 CA LYS X 39 76.351 5.899 3.097 1.00 1.00 C ATOM 654 C LYS X 39 75.206 6.159 4.074 1.00 1.00 C ATOM 655 O LYS X 39 74.825 7.306 4.303 1.00 1.00 O ATOM 656 CB LYS X 39 75.790 5.584 1.708 1.00 1.00 C ATOM 657 CG LYS X 39 76.906 5.677 0.660 1.00 1.00 C ATOM 658 CD LYS X 39 77.055 7.129 0.182 1.00 1.00 C ATOM 659 CE LYS X 39 78.162 7.212 -0.870 1.00 1.00 C ATOM 660 NZ LYS X 39 78.299 8.622 -1.338 1.00 1.00 N ATOM 0 H LYS X 39 77.217 3.988 2.947 1.00 1.00 H new ATOM 0 HA LYS X 39 76.964 6.799 3.042 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.355 4.585 1.700 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.990 6.282 1.463 1.00 1.00 H new ATOM 0 HG2 LYS X 39 77.846 5.327 1.086 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.678 5.028 -0.186 1.00 1.00 H new ATOM 0 HD2 LYS X 39 76.113 7.483 -0.238 1.00 1.00 H new ATOM 0 HD3 LYS X 39 77.292 7.778 1.025 1.00 1.00 H new ATOM 0 HE2 LYS X 39 79.105 6.864 -0.449 1.00 1.00 H new ATOM 0 HE3 LYS X 39 77.929 6.559 -1.711 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 79.052 8.679 -2.053 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 77.400 8.938 -1.755 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 78.541 9.233 -0.532 1.00 1.00 H new ATOM 674 N ASP X 40 74.648 5.090 4.631 1.00 1.00 N ATOM 675 CA ASP X 40 73.530 5.218 5.562 1.00 1.00 C ATOM 676 C ASP X 40 73.910 6.036 6.799 1.00 1.00 C ATOM 677 O ASP X 40 73.195 6.967 7.172 1.00 1.00 O ATOM 678 CB ASP X 40 73.071 3.825 6.005 1.00 1.00 C ATOM 679 CG ASP X 40 72.149 3.198 4.959 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.776 3.892 4.027 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.846 2.023 5.097 1.00 1.00 O ATOM 0 H ASP X 40 74.948 4.131 4.457 1.00 1.00 H new ATOM 0 HA ASP X 40 72.725 5.739 5.044 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.939 3.184 6.162 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.550 3.896 6.960 1.00 1.00 H new ATOM 686 N THR X 41 75.020 5.686 7.444 1.00 1.00 N ATOM 687 CA THR X 41 75.445 6.406 8.646 1.00 1.00 C ATOM 688 C THR X 41 76.524 7.441 8.334 1.00 1.00 C ATOM 689 O THR X 41 76.588 8.496 8.963 1.00 1.00 O ATOM 690 CB THR X 41 75.970 5.415 9.686 1.00 1.00 C ATOM 691 OG1 THR X 41 77.160 4.808 9.202 1.00 1.00 O ATOM 692 CG2 THR X 41 74.912 4.343 9.946 1.00 1.00 C ATOM 0 H THR X 41 75.634 4.922 7.162 1.00 1.00 H new ATOM 0 HA THR X 41 74.577 6.934 9.041 1.00 1.00 H new ATOM 0 HB THR X 41 76.186 5.941 10.616 1.00 1.00 H new ATOM 0 HG1 THR X 41 77.498 4.174 9.868 1.00 1.00 H new ATOM 0 HG21 THR X 41 75.285 3.636 10.687 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.002 4.813 10.319 1.00 1.00 H new ATOM 0 HG23 THR X 41 74.694 3.815 9.018 1.00 1.00 H new ATOM 700 N CYS X 42 77.377 7.117 7.373 1.00 1.00 N ATOM 701 CA CYS X 42 78.470 8.001 6.986 1.00 1.00 C ATOM 702 C CYS X 42 78.320 8.441 5.523 1.00 1.00 C ATOM 703 O CYS X 42 78.900 7.834 4.621 1.00 1.00 O ATOM 704 CB CYS X 42 79.788 7.245 7.184 1.00 1.00 C ATOM 705 SG CYS X 42 81.090 7.953 6.149 1.00 1.00 S ATOM 0 H CYS X 42 77.334 6.246 6.845 1.00 1.00 H new ATOM 0 HA CYS X 42 78.456 8.899 7.603 1.00 1.00 H new ATOM 0 HB2 CYS X 42 80.085 7.289 8.232 1.00 1.00 H new ATOM 0 HB3 CYS X 42 79.651 6.193 6.936 1.00 1.00 H new ATOM 0 HG CYS X 42 81.492 9.076 6.665 1.00 1.00 H new ATOM 711 N PRO X 43 77.549 9.469 5.263 1.00 1.00 N ATOM 712 CA PRO X 43 77.329 9.959 3.877 1.00 1.00 C ATOM 713 C PRO X 43 78.540 10.714 3.340 1.00 1.00 C ATOM 714 O PRO X 43 78.548 11.155 2.191 1.00 1.00 O ATOM 715 CB PRO X 43 76.107 10.868 3.986 1.00 1.00 C ATOM 716 CG PRO X 43 76.053 11.316 5.409 1.00 1.00 C ATOM 717 CD PRO X 43 76.812 10.283 6.249 1.00 1.00 C ATOM 0 HA PRO X 43 77.176 9.139 3.175 1.00 1.00 H new ATOM 0 HB2 PRO X 43 76.193 11.720 3.312 1.00 1.00 H new ATOM 0 HB3 PRO X 43 75.198 10.334 3.710 1.00 1.00 H new ATOM 0 HG2 PRO X 43 76.503 12.303 5.517 1.00 1.00 H new ATOM 0 HG3 PRO X 43 75.020 11.398 5.746 1.00 1.00 H new ATOM 0 HD2 PRO X 43 77.491 10.766 6.951 1.00 1.00 H new ATOM 0 HD3 PRO X 43 76.128 9.670 6.837 1.00 1.00 H new ATOM 725 N TRP X 44 79.558 10.866 4.182 1.00 1.00 N ATOM 726 CA TRP X 44 80.763 11.571 3.790 1.00 1.00 C ATOM 727 C TRP X 44 81.859 10.591 3.393 1.00 1.00 C ATOM 728 O TRP X 44 81.912 9.461 3.878 1.00 1.00 O ATOM 729 CB TRP X 44 81.263 12.433 4.949 1.00 1.00 C ATOM 730 CG TRP X 44 81.248 11.632 6.208 1.00 1.00 C ATOM 731 CD1 TRP X 44 82.111 10.629 6.493 1.00 1.00 C ATOM 732 CD2 TRP X 44 80.350 11.737 7.351 1.00 1.00 C ATOM 733 NE1 TRP X 44 81.798 10.112 7.738 1.00 1.00 N ATOM 734 CE2 TRP X 44 80.721 10.763 8.306 1.00 1.00 C ATOM 735 CE3 TRP X 44 79.260 12.576 7.647 1.00 1.00 C ATOM 736 CZ2 TRP X 44 80.035 10.624 9.515 1.00 1.00 C ATOM 737 CZ3 TRP X 44 78.568 12.440 8.861 1.00 1.00 C ATOM 738 CH2 TRP X 44 78.955 11.466 9.793 1.00 1.00 C ATOM 0 H TRP X 44 79.568 10.509 5.138 1.00 1.00 H new ATOM 0 HA TRP X 44 80.522 12.202 2.934 1.00 1.00 H new ATOM 0 HB2 TRP X 44 82.273 12.788 4.743 1.00 1.00 H new ATOM 0 HB3 TRP X 44 80.632 13.315 5.059 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.912 10.288 5.854 1.00 1.00 H new ATOM 0 HE1 TRP X 44 82.301 9.344 8.182 1.00 1.00 H new ATOM 0 HE3 TRP X 44 78.954 13.329 6.936 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.337 9.872 10.229 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 77.733 13.089 9.078 1.00 1.00 H new ATOM 0 HH2 TRP X 44 78.419 11.367 10.725 1.00 1.00 H new ATOM 749 N PHE X 45 82.731 11.048 2.512 1.00 1.00 N ATOM 750 CA PHE X 45 83.846 10.240 2.039 1.00 1.00 C ATOM 751 C PHE X 45 84.852 11.105 1.271 1.00 1.00 C ATOM 752 O PHE X 45 85.314 10.731 0.193 1.00 1.00 O ATOM 753 CB PHE X 45 83.328 9.111 1.140 1.00 1.00 C ATOM 754 CG PHE X 45 82.972 9.661 -0.221 1.00 1.00 C ATOM 755 CD1 PHE X 45 81.916 10.572 -0.355 1.00 1.00 C ATOM 756 CD2 PHE X 45 83.698 9.263 -1.351 1.00 1.00 C ATOM 757 CE1 PHE X 45 81.587 11.082 -1.616 1.00 1.00 C ATOM 758 CE2 PHE X 45 83.369 9.775 -2.611 1.00 1.00 C ATOM 759 CZ PHE X 45 82.315 10.684 -2.744 1.00 1.00 C ATOM 0 H PHE X 45 82.689 11.983 2.105 1.00 1.00 H new ATOM 0 HA PHE X 45 84.352 9.807 2.902 1.00 1.00 H new ATOM 0 HB2 PHE X 45 84.087 8.335 1.041 1.00 1.00 H new ATOM 0 HB3 PHE X 45 82.453 8.645 1.594 1.00 1.00 H new ATOM 0 HD1 PHE X 45 81.356 10.881 0.515 1.00 1.00 H new ATOM 0 HD2 PHE X 45 84.512 8.561 -1.250 1.00 1.00 H new ATOM 0 HE1 PHE X 45 80.772 11.783 -1.719 1.00 1.00 H new ATOM 0 HE2 PHE X 45 83.930 9.468 -3.481 1.00 1.00 H new ATOM 0 HZ PHE X 45 82.062 11.079 -3.717 1.00 1.00 H new ATOM 769 N PRO X 46 85.200 12.247 1.814 1.00 1.00 N ATOM 770 CA PRO X 46 86.175 13.194 1.181 1.00 1.00 C ATOM 771 C PRO X 46 87.588 12.619 1.098 1.00 1.00 C ATOM 772 O PRO X 46 87.920 11.657 1.791 1.00 1.00 O ATOM 773 CB PRO X 46 86.143 14.416 2.103 1.00 1.00 C ATOM 774 CG PRO X 46 85.690 13.889 3.421 1.00 1.00 C ATOM 775 CD PRO X 46 84.704 12.771 3.097 1.00 1.00 C ATOM 0 HA PRO X 46 85.905 13.417 0.149 1.00 1.00 H new ATOM 0 HB2 PRO X 46 87.127 14.879 2.180 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.460 15.178 1.726 1.00 1.00 H new ATOM 0 HG2 PRO X 46 86.531 13.513 4.003 1.00 1.00 H new ATOM 0 HG3 PRO X 46 85.216 14.671 4.014 1.00 1.00 H new ATOM 0 HD2 PRO X 46 84.698 12.003 3.870 1.00 1.00 H new ATOM 0 HD3 PRO X 46 83.684 13.146 3.012 1.00 1.00 H new ATOM 783 N GLN X 47 88.413 13.215 0.237 1.00 1.00 N ATOM 784 CA GLN X 47 89.788 12.756 0.059 1.00 1.00 C ATOM 785 C GLN X 47 90.774 13.758 0.659 1.00 1.00 C ATOM 786 O GLN X 47 90.464 14.942 0.792 1.00 1.00 O ATOM 787 CB GLN X 47 90.085 12.584 -1.431 1.00 1.00 C ATOM 788 CG GLN X 47 91.456 11.928 -1.603 1.00 1.00 C ATOM 789 CD GLN X 47 91.696 11.595 -3.071 1.00 1.00 C ATOM 790 OE1 GLN X 47 90.761 11.595 -3.872 1.00 1.00 O ATOM 791 NE2 GLN X 47 92.903 11.303 -3.474 1.00 1.00 N ATOM 0 H GLN X 47 88.154 14.012 -0.344 1.00 1.00 H new ATOM 0 HA GLN X 47 89.902 11.801 0.572 1.00 1.00 H new ATOM 0 HB2 GLN X 47 89.315 11.970 -1.898 1.00 1.00 H new ATOM 0 HB3 GLN X 47 90.068 13.553 -1.931 1.00 1.00 H new ATOM 0 HG2 GLN X 47 92.236 12.598 -1.242 1.00 1.00 H new ATOM 0 HG3 GLN X 47 91.512 11.020 -1.002 1.00 1.00 H new ATOM 0 HE21 GLN X 47 93.677 11.303 -2.809 1.00 1.00 H new ATOM 0 HE22 GLN X 47 93.072 11.075 -4.454 1.00 1.00 H new ATOM 800 N GLU X 48 91.964 13.277 1.017 1.00 1.00 N ATOM 801 CA GLU X 48 92.986 14.149 1.594 1.00 1.00 C ATOM 802 C GLU X 48 94.364 13.835 1.017 1.00 1.00 C ATOM 803 O GLU X 48 95.345 13.723 1.753 1.00 1.00 O ATOM 804 CB GLU X 48 93.021 13.986 3.113 1.00 1.00 C ATOM 805 CG GLU X 48 91.727 14.535 3.714 1.00 1.00 C ATOM 806 CD GLU X 48 91.744 14.375 5.229 1.00 1.00 C ATOM 807 OE1 GLU X 48 92.742 13.896 5.745 1.00 1.00 O ATOM 808 OE2 GLU X 48 90.766 14.747 5.855 1.00 1.00 O ATOM 0 H GLU X 48 92.242 12.300 0.919 1.00 1.00 H new ATOM 0 HA GLU X 48 92.729 15.178 1.343 1.00 1.00 H new ATOM 0 HB2 GLU X 48 93.138 12.934 3.374 1.00 1.00 H new ATOM 0 HB3 GLU X 48 93.880 14.515 3.527 1.00 1.00 H new ATOM 0 HG2 GLU X 48 91.613 15.587 3.453 1.00 1.00 H new ATOM 0 HG3 GLU X 48 90.870 14.008 3.295 1.00 1.00 H new ATOM 815 N GLY X 49 94.431 13.697 -0.303 1.00 1.00 N ATOM 816 CA GLY X 49 95.696 13.398 -0.966 1.00 1.00 C ATOM 817 C GLY X 49 96.098 11.946 -0.732 1.00 1.00 C ATOM 818 O GLY X 49 97.195 11.526 -1.098 1.00 1.00 O ATOM 0 H GLY X 49 93.632 13.786 -0.931 1.00 1.00 H new ATOM 0 HA2 GLY X 49 95.605 13.587 -2.036 1.00 1.00 H new ATOM 0 HA3 GLY X 49 96.475 14.061 -0.590 1.00 1.00 H new ATOM 822 N THR X 50 95.201 11.189 -0.114 1.00 1.00 N ATOM 823 CA THR X 50 95.463 9.784 0.176 1.00 1.00 C ATOM 824 C THR X 50 94.227 8.943 -0.121 1.00 1.00 C ATOM 825 O THR X 50 93.129 9.480 -0.265 1.00 1.00 O ATOM 826 CB THR X 50 95.863 9.616 1.643 1.00 1.00 C ATOM 827 OG1 THR X 50 95.901 8.232 1.963 1.00 1.00 O ATOM 828 CG2 THR X 50 94.845 10.324 2.539 1.00 1.00 C ATOM 0 H THR X 50 94.288 11.522 0.196 1.00 1.00 H new ATOM 0 HA THR X 50 96.282 9.445 -0.459 1.00 1.00 H new ATOM 0 HB THR X 50 96.847 10.055 1.805 1.00 1.00 H new ATOM 0 HG1 THR X 50 96.159 8.120 2.902 1.00 1.00 H new ATOM 0 HG21 THR X 50 95.133 10.202 3.583 1.00 1.00 H new ATOM 0 HG22 THR X 50 94.818 11.385 2.291 1.00 1.00 H new ATOM 0 HG23 THR X 50 93.858 9.890 2.382 1.00 1.00 H new ATOM 836 N ILE X 51 94.418 7.626 -0.220 1.00 1.00 N ATOM 837 CA ILE X 51 93.310 6.719 -0.510 1.00 1.00 C ATOM 838 C ILE X 51 92.039 7.197 0.189 1.00 1.00 C ATOM 839 O ILE X 51 91.919 7.109 1.411 1.00 1.00 O ATOM 840 CB ILE X 51 93.656 5.302 -0.025 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.873 4.751 -0.785 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.462 4.377 -0.263 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.521 3.625 0.022 1.00 1.00 C ATOM 0 H ILE X 51 95.322 7.168 -0.104 1.00 1.00 H new ATOM 0 HA ILE X 51 93.142 6.706 -1.587 1.00 1.00 H new ATOM 0 HB ILE X 51 93.892 5.348 1.038 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.565 4.380 -1.763 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.596 5.548 -0.960 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.706 3.372 0.081 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.598 4.749 0.288 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.229 4.350 -1.328 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.383 3.238 -0.521 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.844 4.010 0.989 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.798 2.824 0.174 1.00 1.00 H new ATOM 855 N ASP X 52 91.095 7.707 -0.600 1.00 1.00 N ATOM 856 CA ASP X 52 89.836 8.207 -0.054 1.00 1.00 C ATOM 857 C ASP X 52 89.015 7.070 0.540 1.00 1.00 C ATOM 858 O ASP X 52 88.323 7.248 1.542 1.00 1.00 O ATOM 859 CB ASP X 52 89.029 8.909 -1.148 1.00 1.00 C ATOM 860 CG ASP X 52 87.786 9.557 -0.547 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.491 9.279 0.602 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.153 10.333 -1.246 1.00 1.00 O ATOM 0 H ASP X 52 91.178 7.784 -1.614 1.00 1.00 H new ATOM 0 HA ASP X 52 90.067 8.920 0.737 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.644 9.666 -1.636 1.00 1.00 H new ATOM 0 HB3 ASP X 52 88.740 8.191 -1.915 1.00 1.00 H new ATOM 867 N ILE X 53 89.095 5.906 -0.090 1.00 1.00 N ATOM 868 CA ILE X 53 88.355 4.743 0.375 1.00 1.00 C ATOM 869 C ILE X 53 88.799 4.342 1.777 1.00 1.00 C ATOM 870 O ILE X 53 88.030 3.759 2.534 1.00 1.00 O ATOM 871 CB ILE X 53 88.575 3.576 -0.594 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.729 3.804 -1.843 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.164 2.259 0.060 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.127 2.810 -2.930 1.00 1.00 C ATOM 0 H ILE X 53 89.663 5.743 -0.921 1.00 1.00 H new ATOM 0 HA ILE X 53 87.295 4.996 0.411 1.00 1.00 H new ATOM 0 HB ILE X 53 89.631 3.523 -0.858 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.672 3.689 -1.603 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.865 4.824 -2.203 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.326 1.439 -0.640 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.763 2.095 0.956 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.109 2.301 0.332 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.518 2.979 -3.818 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.179 2.946 -3.180 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.968 1.794 -2.570 1.00 1.00 H new ATOM 886 N LYS X 54 90.036 4.666 2.126 1.00 1.00 N ATOM 887 CA LYS X 54 90.557 4.310 3.436 1.00 1.00 C ATOM 888 C LYS X 54 89.577 4.722 4.524 1.00 1.00 C ATOM 889 O LYS X 54 89.349 3.977 5.475 1.00 1.00 O ATOM 890 CB LYS X 54 91.901 5.002 3.659 1.00 1.00 C ATOM 891 CG LYS X 54 92.516 4.529 4.974 1.00 1.00 C ATOM 892 CD LYS X 54 93.908 5.147 5.133 1.00 1.00 C ATOM 893 CE LYS X 54 94.541 4.659 6.435 1.00 1.00 C ATOM 894 NZ LYS X 54 95.904 5.244 6.573 1.00 1.00 N ATOM 0 H LYS X 54 90.691 5.169 1.527 1.00 1.00 H new ATOM 0 HA LYS X 54 90.694 3.230 3.480 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.575 4.781 2.832 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.764 6.083 3.679 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.880 4.817 5.811 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.585 3.441 4.986 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.537 4.873 4.286 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.836 6.235 5.138 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.922 4.948 7.284 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.598 3.571 6.439 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.336 4.912 7.459 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.492 4.947 5.769 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.837 6.282 6.588 1.00 1.00 H new ATOM 908 N ARG X 55 88.978 5.894 4.371 1.00 1.00 N ATOM 909 CA ARG X 55 88.005 6.355 5.347 1.00 1.00 C ATOM 910 C ARG X 55 86.789 5.439 5.351 1.00 1.00 C ATOM 911 O ARG X 55 86.234 5.136 6.408 1.00 1.00 O ATOM 912 CB ARG X 55 87.573 7.788 5.037 1.00 1.00 C ATOM 913 CG ARG X 55 88.719 8.743 5.362 1.00 1.00 C ATOM 914 CD ARG X 55 88.310 10.172 5.014 1.00 1.00 C ATOM 915 NE ARG X 55 89.376 11.096 5.375 1.00 1.00 N ATOM 916 CZ ARG X 55 89.476 11.575 6.610 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.614 11.215 7.521 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.434 12.408 6.911 1.00 1.00 N ATOM 0 H ARG X 55 89.145 6.533 3.594 1.00 1.00 H new ATOM 0 HA ARG X 55 88.470 6.334 6.332 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.297 7.877 3.986 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.691 8.048 5.622 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.974 8.674 6.420 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.610 8.462 4.800 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.096 10.249 3.948 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.394 10.436 5.542 1.00 1.00 H new ATOM 0 HE ARG X 55 90.056 11.380 4.669 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.864 10.566 7.285 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.691 11.583 8.469 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.106 12.691 6.198 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.511 12.776 7.859 1.00 1.00 H new ATOM 932 N TRP X 56 86.372 4.995 4.166 1.00 1.00 N ATOM 933 CA TRP X 56 85.218 4.118 4.071 1.00 1.00 C ATOM 934 C TRP X 56 85.500 2.784 4.769 1.00 1.00 C ATOM 935 O TRP X 56 84.699 2.303 5.567 1.00 1.00 O ATOM 936 CB TRP X 56 84.860 3.879 2.597 1.00 1.00 C ATOM 937 CG TRP X 56 83.797 2.829 2.487 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.922 2.508 3.467 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.479 1.967 1.356 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.089 1.502 3.011 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.393 1.135 1.715 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.024 1.828 0.067 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.865 0.197 0.827 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.495 0.886 -0.831 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.417 0.072 -0.451 1.00 1.00 C ATOM 0 H TRP X 56 86.811 5.226 3.275 1.00 1.00 H new ATOM 0 HA TRP X 56 84.374 4.597 4.568 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.512 4.808 2.144 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.747 3.568 2.045 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.880 2.963 4.446 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.342 1.083 3.564 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.854 2.449 -0.234 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 81.036 -0.428 1.125 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.920 0.788 -1.819 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.014 -0.650 -1.145 1.00 1.00 H new ATOM 956 N ARG X 57 86.647 2.186 4.466 1.00 1.00 N ATOM 957 CA ARG X 57 87.000 0.906 5.072 1.00 1.00 C ATOM 958 C ARG X 57 87.100 1.034 6.588 1.00 1.00 C ATOM 959 O ARG X 57 86.760 0.103 7.312 1.00 1.00 O ATOM 960 CB ARG X 57 88.325 0.389 4.521 1.00 1.00 C ATOM 961 CG ARG X 57 88.361 0.559 3.004 1.00 1.00 C ATOM 962 CD ARG X 57 87.059 0.065 2.367 1.00 1.00 C ATOM 963 NE ARG X 57 87.219 -0.080 0.927 1.00 1.00 N ATOM 964 CZ ARG X 57 86.198 -0.426 0.152 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.019 -0.624 0.675 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.373 -0.570 -1.133 1.00 1.00 N ATOM 0 H ARG X 57 87.339 2.559 3.815 1.00 1.00 H new ATOM 0 HA ARG X 57 86.210 0.197 4.824 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.154 0.931 4.976 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.451 -0.662 4.781 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.517 1.609 2.755 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.205 0.005 2.592 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.773 -0.891 2.805 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.253 0.767 2.580 1.00 1.00 H new ATOM 0 HE ARG X 57 88.133 0.087 0.506 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.882 -0.513 1.680 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.235 -0.890 0.079 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.295 -0.417 -1.543 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.588 -0.836 -1.728 1.00 1.00 H new ATOM 980 N ARG X 58 87.575 2.182 7.070 1.00 1.00 N ATOM 981 CA ARG X 58 87.705 2.385 8.514 1.00 1.00 C ATOM 982 C ARG X 58 86.355 2.282 9.218 1.00 1.00 C ATOM 983 O ARG X 58 86.237 1.632 10.256 1.00 1.00 O ATOM 984 CB ARG X 58 88.315 3.755 8.811 1.00 1.00 C ATOM 985 CG ARG X 58 89.830 3.702 8.629 1.00 1.00 C ATOM 986 CD ARG X 58 90.411 5.096 8.871 1.00 1.00 C ATOM 987 NE ARG X 58 91.865 5.050 8.827 1.00 1.00 N ATOM 988 CZ ARG X 58 92.575 4.766 9.915 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.968 4.532 11.047 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.877 4.721 9.852 1.00 1.00 N ATOM 0 H ARG X 58 87.871 2.972 6.496 1.00 1.00 H new ATOM 0 HA ARG X 58 88.359 1.599 8.891 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.887 4.505 8.146 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.073 4.057 9.830 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.268 2.986 9.325 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.076 3.361 7.623 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.039 5.789 8.116 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.081 5.472 9.839 1.00 1.00 H new ATOM 0 HE ARG X 58 92.347 5.239 7.948 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.950 4.567 11.096 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.512 4.314 11.882 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.351 4.904 8.968 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.421 4.503 10.687 1.00 1.00 H new ATOM 1004 N VAL X 59 85.343 2.925 8.654 1.00 1.00 N ATOM 1005 CA VAL X 59 84.010 2.890 9.247 1.00 1.00 C ATOM 1006 C VAL X 59 83.447 1.477 9.179 1.00 1.00 C ATOM 1007 O VAL X 59 82.850 0.986 10.136 1.00 1.00 O ATOM 1008 CB VAL X 59 83.085 3.852 8.499 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.691 3.819 9.126 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.651 5.273 8.587 1.00 1.00 C ATOM 0 H VAL X 59 85.415 3.472 7.796 1.00 1.00 H new ATOM 0 HA VAL X 59 84.078 3.196 10.291 1.00 1.00 H new ATOM 0 HB VAL X 59 83.017 3.549 7.454 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.035 4.505 8.591 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.288 2.808 9.063 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.755 4.120 10.172 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.993 5.960 8.055 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.720 5.573 9.633 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.643 5.298 8.136 1.00 1.00 H new ATOM 1020 N GLY X 60 83.641 0.836 8.034 1.00 1.00 N ATOM 1021 CA GLY X 60 83.147 -0.517 7.832 1.00 1.00 C ATOM 1022 C GLY X 60 83.828 -1.497 8.775 1.00 1.00 C ATOM 1023 O GLY X 60 83.165 -2.299 9.423 1.00 1.00 O ATOM 0 H GLY X 60 84.136 1.231 7.234 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.069 -0.542 7.994 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.321 -0.820 6.800 1.00 1.00 H new ATOM 1027 N ASP X 61 85.156 -1.427 8.834 1.00 1.00 N ATOM 1028 CA ASP X 61 85.935 -2.315 9.687 1.00 1.00 C ATOM 1029 C ASP X 61 85.563 -2.126 11.156 1.00 1.00 C ATOM 1030 O ASP X 61 85.443 -3.097 11.905 1.00 1.00 O ATOM 1031 CB ASP X 61 87.425 -2.016 9.510 1.00 1.00 C ATOM 1032 CG ASP X 61 87.881 -2.420 8.114 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.157 -3.154 7.460 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.924 -1.943 7.697 1.00 1.00 O ATOM 0 H ASP X 61 85.714 -0.762 8.299 1.00 1.00 H new ATOM 0 HA ASP X 61 85.718 -3.343 9.398 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.611 -0.954 9.668 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.003 -2.556 10.260 1.00 1.00 H new ATOM 1039 N CYS X 62 85.393 -0.869 11.567 1.00 1.00 N ATOM 1040 CA CYS X 62 85.051 -0.574 12.960 1.00 1.00 C ATOM 1041 C CYS X 62 83.672 -1.123 13.312 1.00 1.00 C ATOM 1042 O CYS X 62 83.507 -1.897 14.269 1.00 1.00 O ATOM 1043 CB CYS X 62 85.062 0.940 13.190 1.00 1.00 C ATOM 1044 SG CYS X 62 86.728 1.590 12.909 1.00 1.00 S ATOM 0 H CYS X 62 85.485 -0.050 10.966 1.00 1.00 H new ATOM 0 HA CYS X 62 85.794 -1.052 13.599 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.354 1.425 12.517 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.740 1.165 14.207 1.00 1.00 H new ATOM 0 HG CYS X 62 86.858 1.926 11.660 1.00 1.00 H new ATOM 1050 N PHE X 63 82.681 -0.725 12.528 1.00 1.00 N ATOM 1051 CA PHE X 63 81.328 -1.184 12.762 1.00 1.00 C ATOM 1052 C PHE X 63 81.266 -2.696 12.635 1.00 1.00 C ATOM 1053 O PHE X 63 80.504 -3.348 13.332 1.00 1.00 O ATOM 1054 CB PHE X 63 80.358 -0.530 11.777 1.00 1.00 C ATOM 1055 CG PHE X 63 79.805 0.738 12.387 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.808 0.661 13.367 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.283 1.986 11.973 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.291 1.832 13.934 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.766 3.157 12.540 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.770 3.081 13.519 1.00 1.00 C ATOM 0 H PHE X 63 82.790 -0.093 11.735 1.00 1.00 H new ATOM 0 HA PHE X 63 81.033 -0.899 13.772 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.869 -0.304 10.841 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.546 -1.217 11.539 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.438 -0.302 13.686 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.051 2.046 11.216 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.523 1.772 14.691 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.137 4.120 12.221 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.371 3.985 13.955 1.00 1.00 H new ATOM 1070 N GLN X 64 82.081 -3.243 11.745 1.00 1.00 N ATOM 1071 CA GLN X 64 82.120 -4.682 11.531 1.00 1.00 C ATOM 1072 C GLN X 64 82.368 -5.411 12.840 1.00 1.00 C ATOM 1073 O GLN X 64 81.708 -6.396 13.143 1.00 1.00 O ATOM 1074 CB GLN X 64 83.241 -4.999 10.531 1.00 1.00 C ATOM 1075 CG GLN X 64 84.048 -6.240 10.942 1.00 1.00 C ATOM 1076 CD GLN X 64 83.148 -7.465 11.013 1.00 1.00 C ATOM 1077 OE1 GLN X 64 82.178 -7.576 10.264 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.426 -8.410 11.870 1.00 1.00 N ATOM 0 H GLN X 64 82.725 -2.711 11.159 1.00 1.00 H new ATOM 0 HA GLN X 64 81.161 -5.016 11.135 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.810 -5.158 9.543 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.910 -4.142 10.453 1.00 1.00 H new ATOM 0 HG2 GLN X 64 84.850 -6.413 10.225 1.00 1.00 H new ATOM 0 HG3 GLN X 64 84.518 -6.071 11.911 1.00 1.00 H new ATOM 0 HE21 GLN X 64 84.231 -8.316 12.490 1.00 1.00 H new ATOM 0 HE22 GLN X 64 82.839 -9.242 11.920 1.00 1.00 H new ATOM 1087 N ASP X 65 83.349 -4.938 13.597 1.00 1.00 N ATOM 1088 CA ASP X 65 83.702 -5.582 14.851 1.00 1.00 C ATOM 1089 C ASP X 65 82.506 -5.615 15.787 1.00 1.00 C ATOM 1090 O ASP X 65 82.203 -6.649 16.382 1.00 1.00 O ATOM 1091 CB ASP X 65 84.855 -4.822 15.510 1.00 1.00 C ATOM 1092 CG ASP X 65 86.149 -5.061 14.740 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.208 -6.033 14.003 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.057 -4.260 14.883 1.00 1.00 O ATOM 0 H ASP X 65 83.909 -4.118 13.366 1.00 1.00 H new ATOM 0 HA ASP X 65 84.011 -6.607 14.646 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.630 -3.756 15.536 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.972 -5.148 16.543 1.00 1.00 H new ATOM 1099 N TYR X 66 81.830 -4.482 15.924 1.00 1.00 N ATOM 1100 CA TYR X 66 80.668 -4.418 16.812 1.00 1.00 C ATOM 1101 C TYR X 66 79.470 -5.185 16.244 1.00 1.00 C ATOM 1102 O TYR X 66 78.825 -5.952 16.955 1.00 1.00 O ATOM 1103 CB TYR X 66 80.278 -2.963 17.060 1.00 1.00 C ATOM 1104 CG TYR X 66 81.417 -2.255 17.756 1.00 1.00 C ATOM 1105 CD1 TYR X 66 81.666 -2.502 19.112 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.225 -1.358 17.048 1.00 1.00 C ATOM 1107 CE1 TYR X 66 82.722 -1.851 19.759 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.282 -0.707 17.695 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.531 -0.954 19.051 1.00 1.00 C ATOM 1110 OH TYR X 66 84.574 -0.316 19.689 1.00 1.00 O ATOM 0 H TYR X 66 82.056 -3.610 15.445 1.00 1.00 H new ATOM 0 HA TYR X 66 80.950 -4.890 17.753 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.050 -2.469 16.115 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.376 -2.915 17.671 1.00 1.00 H new ATOM 0 HD1 TYR X 66 81.043 -3.195 19.658 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.033 -1.168 16.002 1.00 1.00 H new ATOM 0 HE1 TYR X 66 82.913 -2.040 20.805 1.00 1.00 H new ATOM 0 HE2 TYR X 66 83.905 -0.015 17.149 1.00 1.00 H new ATOM 0 HH TYR X 66 85.035 0.271 19.054 1.00 1.00 H new ATOM 1120 N TYR X 67 79.173 -4.963 14.969 1.00 1.00 N ATOM 1121 CA TYR X 67 78.041 -5.624 14.319 1.00 1.00 C ATOM 1122 C TYR X 67 78.208 -7.149 14.294 1.00 1.00 C ATOM 1123 O TYR X 67 77.281 -7.879 14.642 1.00 1.00 O ATOM 1124 CB TYR X 67 77.900 -5.089 12.894 1.00 1.00 C ATOM 1125 CG TYR X 67 76.948 -3.915 12.881 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.070 -2.893 13.830 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.946 -3.848 11.905 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.189 -1.805 13.803 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.066 -2.760 11.878 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.187 -1.738 12.828 1.00 1.00 C ATOM 1131 OH TYR X 67 74.320 -0.666 12.801 1.00 1.00 O ATOM 0 H TYR X 67 79.698 -4.332 14.363 1.00 1.00 H new ATOM 0 HA TYR X 67 77.141 -5.405 14.893 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.874 -4.784 12.512 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.532 -5.875 12.235 1.00 1.00 H new ATOM 0 HD1 TYR X 67 77.843 -2.944 14.582 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.852 -4.636 11.173 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.283 -1.017 14.535 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.294 -2.709 11.125 1.00 1.00 H new ATOM 0 HH TYR X 67 73.687 -0.776 12.061 1.00 1.00 H new ATOM 1141 N ASN X 68 79.380 -7.635 13.886 1.00 1.00 N ATOM 1142 CA ASN X 68 79.611 -9.078 13.839 1.00 1.00 C ATOM 1143 C ASN X 68 79.560 -9.677 15.238 1.00 1.00 C ATOM 1144 O ASN X 68 78.996 -10.752 15.443 1.00 1.00 O ATOM 1145 CB ASN X 68 80.967 -9.388 13.207 1.00 1.00 C ATOM 1146 CG ASN X 68 80.857 -9.383 11.686 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.484 -10.209 11.022 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.093 -8.508 11.091 1.00 1.00 N ATOM 0 H ASN X 68 80.171 -7.063 13.588 1.00 1.00 H new ATOM 0 HA ASN X 68 78.822 -9.521 13.230 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.702 -8.650 13.527 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.321 -10.360 13.549 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.014 -8.507 10.074 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.574 -7.825 11.643 1.00 1.00 H new ATOM 1155 N THR X 69 80.151 -8.976 16.200 1.00 1.00 N ATOM 1156 CA THR X 69 80.155 -9.463 17.571 1.00 1.00 C ATOM 1157 C THR X 69 78.724 -9.577 18.075 1.00 1.00 C ATOM 1158 O THR X 69 78.341 -10.585 18.670 1.00 1.00 O ATOM 1159 CB THR X 69 80.954 -8.515 18.470 1.00 1.00 C ATOM 1160 OG1 THR X 69 80.565 -7.173 18.213 1.00 1.00 O ATOM 1161 CG2 THR X 69 82.448 -8.680 18.184 1.00 1.00 C ATOM 0 H THR X 69 80.625 -8.084 16.058 1.00 1.00 H new ATOM 0 HA THR X 69 80.626 -10.445 17.598 1.00 1.00 H new ATOM 0 HB THR X 69 80.756 -8.753 19.515 1.00 1.00 H new ATOM 0 HG1 THR X 69 81.259 -6.727 17.684 1.00 1.00 H new ATOM 0 HG21 THR X 69 83.018 -8.006 18.823 1.00 1.00 H new ATOM 0 HG22 THR X 69 82.746 -9.709 18.386 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.647 -8.443 17.139 1.00 1.00 H new ATOM 1169 N PHE X 70 77.934 -8.541 17.819 1.00 1.00 N ATOM 1170 CA PHE X 70 76.536 -8.538 18.235 1.00 1.00 C ATOM 1171 C PHE X 70 75.741 -9.587 17.461 1.00 1.00 C ATOM 1172 O PHE X 70 74.855 -10.239 18.017 1.00 1.00 O ATOM 1173 CB PHE X 70 75.923 -7.156 18.003 1.00 1.00 C ATOM 1174 CG PHE X 70 76.182 -6.284 19.209 1.00 1.00 C ATOM 1175 CD1 PHE X 70 77.492 -6.102 19.669 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.115 -5.662 19.869 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.734 -5.297 20.788 1.00 1.00 C ATOM 1178 CE2 PHE X 70 75.358 -4.858 20.988 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.667 -4.675 21.448 1.00 1.00 C ATOM 0 H PHE X 70 78.234 -7.698 17.329 1.00 1.00 H new ATOM 0 HA PHE X 70 76.494 -8.779 19.297 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.353 -6.700 17.111 1.00 1.00 H new ATOM 0 HB3 PHE X 70 74.851 -7.246 17.829 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.315 -6.582 19.161 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.105 -5.803 19.514 1.00 1.00 H new ATOM 0 HE1 PHE X 70 78.744 -5.155 21.143 1.00 1.00 H new ATOM 0 HE2 PHE X 70 74.535 -4.378 21.497 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.854 -4.054 22.312 1.00 1.00 H new ATOM 1189 N GLY X 71 76.049 -9.739 16.174 1.00 1.00 N ATOM 1190 CA GLY X 71 75.342 -10.702 15.340 1.00 1.00 C ATOM 1191 C GLY X 71 75.259 -10.219 13.895 1.00 1.00 C ATOM 1192 O GLY X 71 75.645 -10.937 12.971 1.00 1.00 O ATOM 0 H GLY X 71 76.777 -9.212 15.692 1.00 1.00 H new ATOM 0 HA2 GLY X 71 75.853 -11.664 15.377 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.337 -10.860 15.733 1.00 1.00 H new ATOM 1196 N PRO X 72 74.767 -9.025 13.679 1.00 1.00 N ATOM 1197 CA PRO X 72 74.635 -8.451 12.309 1.00 1.00 C ATOM 1198 C PRO X 72 75.900 -8.637 11.478 1.00 1.00 C ATOM 1199 O PRO X 72 76.896 -7.954 11.676 1.00 1.00 O ATOM 1200 CB PRO X 72 74.362 -6.970 12.560 1.00 1.00 C ATOM 1201 CG PRO X 72 73.766 -6.888 13.927 1.00 1.00 C ATOM 1202 CD PRO X 72 74.275 -8.094 14.713 1.00 1.00 C ATOM 0 HA PRO X 72 73.849 -8.944 11.737 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.282 -6.388 12.500 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.680 -6.567 11.812 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.055 -5.959 14.418 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.677 -6.895 13.873 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.069 -7.812 15.404 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.481 -8.545 15.308 1.00 1.00 H new ATOM 1210 N GLU X 73 75.842 -9.573 10.548 1.00 1.00 N ATOM 1211 CA GLU X 73 76.974 -9.850 9.677 1.00 1.00 C ATOM 1212 C GLU X 73 76.872 -9.049 8.376 1.00 1.00 C ATOM 1213 O GLU X 73 77.678 -9.229 7.463 1.00 1.00 O ATOM 1214 CB GLU X 73 77.043 -11.348 9.393 1.00 1.00 C ATOM 1215 CG GLU X 73 75.839 -11.771 8.550 1.00 1.00 C ATOM 1216 CD GLU X 73 75.812 -13.289 8.413 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.772 -13.919 8.826 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.833 -13.801 7.895 1.00 1.00 O ATOM 0 H GLU X 73 75.023 -10.156 10.375 1.00 1.00 H new ATOM 0 HA GLU X 73 77.892 -9.542 10.179 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.968 -11.586 8.868 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.056 -11.905 10.330 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.917 -11.422 9.015 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.893 -11.309 7.564 1.00 1.00 H new ATOM 1225 N LYS X 74 75.862 -8.180 8.296 1.00 1.00 N ATOM 1226 CA LYS X 74 75.635 -7.368 7.101 1.00 1.00 C ATOM 1227 C LYS X 74 76.953 -6.926 6.475 1.00 1.00 C ATOM 1228 O LYS X 74 77.090 -6.936 5.253 1.00 1.00 O ATOM 1229 CB LYS X 74 74.784 -6.139 7.463 1.00 1.00 C ATOM 1230 CG LYS X 74 74.651 -5.209 6.248 1.00 1.00 C ATOM 1231 CD LYS X 74 73.759 -4.018 6.602 1.00 1.00 C ATOM 1232 CE LYS X 74 73.748 -3.031 5.430 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.188 -1.723 5.878 1.00 1.00 N ATOM 0 H LYS X 74 75.189 -8.021 9.046 1.00 1.00 H new ATOM 0 HA LYS X 74 75.103 -7.976 6.369 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.796 -6.457 7.796 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.243 -5.602 8.293 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.635 -4.858 5.938 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.227 -5.755 5.405 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.746 -4.358 6.816 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.128 -3.527 7.503 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.760 -2.893 5.049 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.151 -3.431 4.611 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.182 -1.056 5.080 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.216 -1.861 6.221 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.775 -1.339 6.646 1.00 1.00 H new ATOM 1247 N VAL X 75 77.910 -6.532 7.309 1.00 1.00 N ATOM 1248 CA VAL X 75 79.207 -6.086 6.810 1.00 1.00 C ATOM 1249 C VAL X 75 80.336 -6.986 7.334 1.00 1.00 C ATOM 1250 O VAL X 75 80.961 -6.677 8.348 1.00 1.00 O ATOM 1251 CB VAL X 75 79.459 -4.637 7.240 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.807 -3.681 6.240 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.867 -4.388 8.624 1.00 1.00 C ATOM 0 H VAL X 75 77.814 -6.512 8.324 1.00 1.00 H new ATOM 0 HA VAL X 75 79.195 -6.147 5.722 1.00 1.00 H new ATOM 0 HB VAL X 75 80.535 -4.464 7.270 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.988 -2.652 6.549 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.234 -3.843 5.250 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.733 -3.866 6.207 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.052 -3.355 8.919 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.793 -4.571 8.598 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.332 -5.060 9.345 1.00 1.00 H new ATOM 1263 N PRO X 76 80.607 -8.084 6.661 1.00 1.00 N ATOM 1264 CA PRO X 76 81.688 -9.041 7.063 1.00 1.00 C ATOM 1265 C PRO X 76 83.072 -8.395 7.081 1.00 1.00 C ATOM 1266 O PRO X 76 83.360 -7.489 6.298 1.00 1.00 O ATOM 1267 CB PRO X 76 81.628 -10.145 6.001 1.00 1.00 C ATOM 1268 CG PRO X 76 80.287 -10.017 5.361 1.00 1.00 C ATOM 1269 CD PRO X 76 79.913 -8.544 5.449 1.00 1.00 C ATOM 0 HA PRO X 76 81.532 -9.406 8.078 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.425 -10.026 5.267 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.754 -11.129 6.452 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.318 -10.349 4.323 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.551 -10.637 5.873 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.240 -7.994 4.567 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.834 -8.408 5.528 1.00 1.00 H new ATOM 1277 N VAL X 77 83.922 -8.870 7.988 1.00 1.00 N ATOM 1278 CA VAL X 77 85.277 -8.342 8.118 1.00 1.00 C ATOM 1279 C VAL X 77 86.125 -8.686 6.903 1.00 1.00 C ATOM 1280 O VAL X 77 87.081 -7.980 6.585 1.00 1.00 O ATOM 1281 CB VAL X 77 85.941 -8.900 9.381 1.00 1.00 C ATOM 1282 CG1 VAL X 77 86.102 -10.416 9.246 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.322 -8.262 9.565 1.00 1.00 C ATOM 0 H VAL X 77 83.697 -9.619 8.643 1.00 1.00 H new ATOM 0 HA VAL X 77 85.205 -7.257 8.190 1.00 1.00 H new ATOM 0 HB VAL X 77 85.317 -8.671 10.245 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.574 -10.813 10.144 1.00 1.00 H new ATOM 0 HG12 VAL X 77 85.122 -10.876 9.118 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.724 -10.640 8.380 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.791 -8.662 10.464 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.945 -8.488 8.700 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.214 -7.182 9.662 1.00 1.00 H new ATOM 1293 N THR X 78 85.776 -9.771 6.228 1.00 1.00 N ATOM 1294 CA THR X 78 86.526 -10.191 5.052 1.00 1.00 C ATOM 1295 C THR X 78 86.779 -8.999 4.125 1.00 1.00 C ATOM 1296 O THR X 78 87.612 -9.067 3.220 1.00 1.00 O ATOM 1297 CB THR X 78 85.752 -11.276 4.302 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.645 -10.690 3.629 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.249 -12.328 5.293 1.00 1.00 C ATOM 0 H THR X 78 84.988 -10.371 6.470 1.00 1.00 H new ATOM 0 HA THR X 78 87.486 -10.592 5.376 1.00 1.00 H new ATOM 0 HB THR X 78 86.410 -11.751 3.574 1.00 1.00 H new ATOM 0 HG1 THR X 78 84.150 -11.385 3.147 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.698 -13.100 4.756 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.098 -12.779 5.807 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.592 -11.855 6.023 1.00 1.00 H new ATOM 1307 N ALA X 79 86.059 -7.905 4.368 1.00 1.00 N ATOM 1308 CA ALA X 79 86.210 -6.697 3.562 1.00 1.00 C ATOM 1309 C ALA X 79 87.638 -6.161 3.654 1.00 1.00 C ATOM 1310 O ALA X 79 88.145 -5.556 2.710 1.00 1.00 O ATOM 1311 CB ALA X 79 85.235 -5.622 4.046 1.00 1.00 C ATOM 0 H ALA X 79 85.368 -7.831 5.114 1.00 1.00 H new ATOM 0 HA ALA X 79 85.993 -6.950 2.524 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.354 -4.724 3.440 1.00 1.00 H new ATOM 0 HB2 ALA X 79 84.213 -5.990 3.954 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.443 -5.386 5.090 1.00 1.00 H new ATOM 1317 N PHE X 80 88.274 -6.380 4.799 1.00 1.00 N ATOM 1318 CA PHE X 80 89.641 -5.912 5.016 1.00 1.00 C ATOM 1319 C PHE X 80 90.618 -6.542 4.016 1.00 1.00 C ATOM 1320 O PHE X 80 91.456 -5.856 3.433 1.00 1.00 O ATOM 1321 CB PHE X 80 90.073 -6.254 6.442 1.00 1.00 C ATOM 1322 CG PHE X 80 91.499 -5.811 6.651 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.556 -6.591 6.168 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.765 -4.613 7.326 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.879 -6.173 6.360 1.00 1.00 C ATOM 1326 CE2 PHE X 80 93.087 -4.194 7.517 1.00 1.00 C ATOM 1327 CZ PHE X 80 94.144 -4.975 7.034 1.00 1.00 C ATOM 0 H PHE X 80 87.867 -6.878 5.591 1.00 1.00 H new ATOM 0 HA PHE X 80 89.659 -4.832 4.867 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.418 -5.761 7.161 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.985 -7.327 6.614 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.352 -7.515 5.647 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.949 -4.012 7.700 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.695 -6.775 5.988 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.291 -3.269 8.036 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.164 -4.653 7.182 1.00 1.00 H new ATOM 1337 N SER X 81 90.522 -7.853 3.835 1.00 1.00 N ATOM 1338 CA SER X 81 91.414 -8.555 2.910 1.00 1.00 C ATOM 1339 C SER X 81 91.202 -8.065 1.475 1.00 1.00 C ATOM 1340 O SER X 81 92.153 -7.700 0.756 1.00 1.00 O ATOM 1341 CB SER X 81 91.135 -10.059 2.978 1.00 1.00 C ATOM 1342 OG SER X 81 89.775 -10.299 2.637 1.00 1.00 O ATOM 0 H SER X 81 89.844 -8.450 4.309 1.00 1.00 H new ATOM 0 HA SER X 81 92.445 -8.352 3.200 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.794 -10.594 2.294 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.343 -10.434 3.980 1.00 1.00 H new ATOM 0 HG SER X 81 89.192 -9.890 3.310 1.00 1.00 H new ATOM 1348 N TYR X 82 89.946 -8.051 1.063 1.00 1.00 N ATOM 1349 CA TYR X 82 89.617 -7.609 -0.276 1.00 1.00 C ATOM 1350 C TYR X 82 90.062 -6.164 -0.453 1.00 1.00 C ATOM 1351 O TYR X 82 90.493 -5.751 -1.538 1.00 1.00 O ATOM 1352 CB TYR X 82 88.111 -7.746 -0.518 1.00 1.00 C ATOM 1353 CG TYR X 82 87.692 -9.199 -0.367 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.236 -10.176 -1.210 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.753 -9.559 0.607 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.842 -11.513 -1.077 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.357 -10.895 0.738 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.902 -11.873 -0.104 1.00 1.00 C ATOM 1359 OH TYR X 82 86.515 -13.191 0.027 1.00 1.00 O ATOM 0 H TYR X 82 89.148 -8.337 1.630 1.00 1.00 H new ATOM 0 HA TYR X 82 90.137 -8.231 -1.005 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.562 -7.125 0.190 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.860 -7.388 -1.517 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.959 -9.898 -1.962 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.334 -8.806 1.258 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.263 -12.267 -1.725 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.631 -11.172 1.488 1.00 1.00 H new ATOM 0 HH TYR X 82 86.020 -13.468 -0.772 1.00 1.00 H new ATOM 1369 N TRP X 83 89.975 -5.402 0.626 1.00 1.00 N ATOM 1370 CA TRP X 83 90.389 -4.018 0.585 1.00 1.00 C ATOM 1371 C TRP X 83 91.871 -3.934 0.243 1.00 1.00 C ATOM 1372 O TRP X 83 92.314 -2.990 -0.405 1.00 1.00 O ATOM 1373 CB TRP X 83 90.117 -3.325 1.923 1.00 1.00 C ATOM 1374 CG TRP X 83 90.719 -1.958 1.908 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.692 -1.113 0.852 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.413 -1.254 2.979 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.325 0.065 1.208 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.786 0.027 2.508 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.752 -1.599 4.300 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.470 0.934 3.318 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.440 -0.690 5.119 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.799 0.574 4.628 1.00 1.00 C ATOM 0 H TRP X 83 89.624 -5.719 1.530 1.00 1.00 H new ATOM 0 HA TRP X 83 89.811 -3.507 -0.185 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.043 -3.259 2.099 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.538 -3.911 2.740 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.249 -1.323 -0.110 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.437 0.865 0.585 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.481 -2.570 4.687 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.743 1.907 2.936 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.694 -0.965 6.132 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.330 1.269 5.262 1.00 1.00 H new ATOM 1393 N ASN X 84 92.637 -4.929 0.688 1.00 1.00 N ATOM 1394 CA ASN X 84 94.068 -4.941 0.415 1.00 1.00 C ATOM 1395 C ASN X 84 94.298 -4.889 -1.085 1.00 1.00 C ATOM 1396 O ASN X 84 95.169 -4.156 -1.571 1.00 1.00 O ATOM 1397 CB ASN X 84 94.711 -6.216 0.965 1.00 1.00 C ATOM 1398 CG ASN X 84 96.158 -5.938 1.363 1.00 1.00 C ATOM 1399 OD1 ASN X 84 97.090 -6.343 0.671 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.397 -5.275 2.462 1.00 1.00 N ATOM 0 H ASN X 84 92.296 -5.723 1.230 1.00 1.00 H new ATOM 0 HA ASN X 84 94.518 -4.074 0.899 1.00 1.00 H new ATOM 0 HB2 ASN X 84 94.150 -6.574 1.828 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.677 -7.005 0.213 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.359 -5.092 2.748 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.622 -4.940 3.034 1.00 1.00 H new ATOM 1407 N LEU X 85 93.498 -5.651 -1.829 1.00 1.00 N ATOM 1408 CA LEU X 85 93.640 -5.649 -3.278 1.00 1.00 C ATOM 1409 C LEU X 85 93.410 -4.239 -3.812 1.00 1.00 C ATOM 1410 O LEU X 85 94.116 -3.791 -4.718 1.00 1.00 O ATOM 1411 CB LEU X 85 92.647 -6.614 -3.939 1.00 1.00 C ATOM 1412 CG LEU X 85 93.209 -8.043 -3.933 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.425 -8.143 -4.863 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.630 -8.419 -2.514 1.00 1.00 C ATOM 0 H LEU X 85 92.766 -6.260 -1.463 1.00 1.00 H new ATOM 0 HA LEU X 85 94.650 -5.981 -3.520 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.696 -6.588 -3.408 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.449 -6.298 -4.963 1.00 1.00 H new ATOM 0 HG LEU X 85 92.435 -8.725 -4.285 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.812 -9.162 -4.848 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.128 -7.883 -5.879 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.200 -7.456 -4.524 1.00 1.00 H new ATOM 0 HD21 LEU X 85 94.029 -9.433 -2.510 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.396 -7.726 -2.166 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.766 -8.366 -1.852 1.00 1.00 H new ATOM 1426 N ILE X 86 92.429 -3.534 -3.251 1.00 1.00 N ATOM 1427 CA ILE X 86 92.149 -2.175 -3.699 1.00 1.00 C ATOM 1428 C ILE X 86 93.335 -1.252 -3.428 1.00 1.00 C ATOM 1429 O ILE X 86 93.703 -0.447 -4.283 1.00 1.00 O ATOM 1430 CB ILE X 86 90.926 -1.642 -2.987 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.690 -2.411 -3.443 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.754 -0.159 -3.307 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.518 -2.077 -2.523 1.00 1.00 C ATOM 0 H ILE X 86 91.827 -3.874 -2.501 1.00 1.00 H new ATOM 0 HA ILE X 86 91.969 -2.203 -4.774 1.00 1.00 H new ATOM 0 HB ILE X 86 91.051 -1.768 -1.912 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.445 -2.150 -4.472 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.887 -3.483 -3.425 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.872 0.224 -2.793 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.635 0.390 -2.974 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.632 -0.031 -4.382 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.633 -2.625 -2.847 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.766 -2.360 -1.500 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.317 -1.007 -2.564 1.00 1.00 H new ATOM 1445 N LYS X 87 93.939 -1.357 -2.242 1.00 1.00 N ATOM 1446 CA LYS X 87 95.077 -0.502 -1.923 1.00 1.00 C ATOM 1447 C LYS X 87 96.057 -0.489 -3.077 1.00 1.00 C ATOM 1448 O LYS X 87 96.525 0.567 -3.501 1.00 1.00 O ATOM 1449 CB LYS X 87 95.808 -1.022 -0.686 1.00 1.00 C ATOM 1450 CG LYS X 87 95.001 -0.703 0.562 1.00 1.00 C ATOM 1451 CD LYS X 87 95.751 -1.208 1.797 1.00 1.00 C ATOM 1452 CE LYS X 87 95.013 -0.761 3.055 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.741 -1.239 4.262 1.00 1.00 N ATOM 0 H LYS X 87 93.666 -2.008 -1.506 1.00 1.00 H new ATOM 0 HA LYS X 87 94.699 0.503 -1.735 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.959 -2.098 -0.767 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.796 -0.566 -0.618 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.837 0.372 0.637 1.00 1.00 H new ATOM 0 HG3 LYS X 87 94.019 -1.172 0.503 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.825 -2.295 1.772 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.769 -0.819 1.802 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.933 0.326 3.074 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.997 -1.156 3.052 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 95.080 -1.306 5.062 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.150 -2.176 4.072 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.502 -0.570 4.496 1.00 1.00 H new ATOM 1467 N GLU X 88 96.361 -1.669 -3.583 1.00 1.00 N ATOM 1468 CA GLU X 88 97.292 -1.781 -4.697 1.00 1.00 C ATOM 1469 C GLU X 88 96.719 -1.127 -5.955 1.00 1.00 C ATOM 1470 O GLU X 88 97.462 -0.565 -6.759 1.00 1.00 O ATOM 1471 CB GLU X 88 97.614 -3.253 -4.971 1.00 1.00 C ATOM 1472 CG GLU X 88 98.883 -3.652 -4.211 1.00 1.00 C ATOM 1473 CD GLU X 88 99.141 -5.146 -4.377 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.461 -5.757 -5.185 1.00 1.00 O ATOM 1475 OE2 GLU X 88 100.005 -5.659 -3.685 1.00 1.00 O ATOM 0 H GLU X 88 95.984 -2.555 -3.248 1.00 1.00 H new ATOM 0 HA GLU X 88 98.210 -1.259 -4.427 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.780 -3.882 -4.661 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.753 -3.412 -6.040 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.735 -3.084 -4.585 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.776 -3.408 -3.154 1.00 1.00 H new ATOM 1482 N LEU X 89 95.400 -1.210 -6.133 1.00 1.00 N ATOM 1483 CA LEU X 89 94.767 -0.626 -7.320 1.00 1.00 C ATOM 1484 C LEU X 89 94.883 0.900 -7.335 1.00 1.00 C ATOM 1485 O LEU X 89 95.280 1.491 -8.340 1.00 1.00 O ATOM 1486 CB LEU X 89 93.284 -1.017 -7.344 1.00 1.00 C ATOM 1487 CG LEU X 89 92.584 -0.404 -8.568 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.229 -0.926 -9.851 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.105 -0.791 -8.550 1.00 1.00 C ATOM 0 H LEU X 89 94.758 -1.666 -5.485 1.00 1.00 H new ATOM 0 HA LEU X 89 95.282 -1.012 -8.200 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.189 -2.103 -7.369 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.797 -0.675 -6.431 1.00 1.00 H new ATOM 0 HG LEU X 89 92.682 0.681 -8.533 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.728 -0.488 -10.714 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.284 -0.652 -9.866 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.136 -2.011 -9.890 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.605 -0.358 -9.416 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.013 -1.877 -8.582 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.641 -0.415 -7.638 1.00 1.00 H new ATOM 1501 N ILE X 90 94.512 1.530 -6.228 1.00 1.00 N ATOM 1502 CA ILE X 90 94.549 2.987 -6.130 1.00 1.00 C ATOM 1503 C ILE X 90 95.989 3.484 -6.071 1.00 1.00 C ATOM 1504 O ILE X 90 96.338 4.493 -6.685 1.00 1.00 O ATOM 1505 CB ILE X 90 93.776 3.444 -4.889 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.380 2.826 -4.915 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.627 4.970 -4.895 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.730 2.975 -3.543 1.00 1.00 C ATOM 0 H ILE X 90 94.182 1.058 -5.386 1.00 1.00 H new ATOM 0 HA ILE X 90 94.078 3.410 -7.017 1.00 1.00 H new ATOM 0 HB ILE X 90 94.320 3.131 -3.998 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.769 3.315 -5.673 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.443 1.772 -5.187 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.076 5.285 -4.009 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.614 5.432 -4.892 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.085 5.279 -5.788 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.734 2.534 -3.563 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.338 2.466 -2.795 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.653 4.032 -3.290 1.00 1.00 H new ATOM 1520 N ASP X 91 96.813 2.771 -5.315 1.00 1.00 N ATOM 1521 CA ASP X 91 98.215 3.144 -5.159 1.00 1.00 C ATOM 1522 C ASP X 91 98.865 3.350 -6.526 1.00 1.00 C ATOM 1523 O ASP X 91 99.551 4.348 -6.748 1.00 1.00 O ATOM 1524 CB ASP X 91 98.959 2.042 -4.398 1.00 1.00 C ATOM 1525 CG ASP X 91 98.789 2.230 -2.893 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.991 3.069 -2.507 1.00 1.00 O ATOM 1527 OD2 ASP X 91 99.439 1.514 -2.150 1.00 1.00 O ATOM 0 H ASP X 91 96.538 1.934 -4.801 1.00 1.00 H new ATOM 0 HA ASP X 91 98.270 4.077 -4.598 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.578 1.065 -4.695 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.018 2.063 -4.657 1.00 1.00 H new ATOM 1532 N LYS X 92 98.638 2.415 -7.445 1.00 1.00 N ATOM 1533 CA LYS X 92 99.206 2.536 -8.784 1.00 1.00 C ATOM 1534 C LYS X 92 98.630 3.761 -9.490 1.00 1.00 C ATOM 1535 O LYS X 92 99.347 4.490 -10.176 1.00 1.00 O ATOM 1536 CB LYS X 92 98.914 1.279 -9.610 1.00 1.00 C ATOM 1537 CG LYS X 92 99.751 0.110 -9.081 1.00 1.00 C ATOM 1538 CD LYS X 92 99.580 -1.112 -9.993 1.00 1.00 C ATOM 1539 CE LYS X 92 98.142 -1.634 -9.910 1.00 1.00 C ATOM 1540 NZ LYS X 92 98.099 -3.042 -10.398 1.00 1.00 N ATOM 0 H LYS X 92 98.075 1.579 -7.291 1.00 1.00 H new ATOM 0 HA LYS X 92 100.286 2.650 -8.689 1.00 1.00 H new ATOM 0 HB2 LYS X 92 97.853 1.034 -9.555 1.00 1.00 H new ATOM 0 HB3 LYS X 92 99.146 1.460 -10.660 1.00 1.00 H new ATOM 0 HG2 LYS X 92 100.802 0.396 -9.035 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.443 -0.138 -8.065 1.00 1.00 H new ATOM 0 HD2 LYS X 92 99.819 -0.844 -11.022 1.00 1.00 H new ATOM 0 HD3 LYS X 92 100.277 -1.896 -9.698 1.00 1.00 H new ATOM 0 HE2 LYS X 92 97.783 -1.582 -8.882 1.00 1.00 H new ATOM 0 HE3 LYS X 92 97.481 -1.009 -10.510 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 97.124 -3.399 -10.343 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 98.425 -3.077 -11.385 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 98.718 -3.633 -9.807 1.00 1.00 H new ATOM 1554 N LYS X 93 97.330 3.981 -9.313 1.00 1.00 N ATOM 1555 CA LYS X 93 96.664 5.126 -9.938 1.00 1.00 C ATOM 1556 C LYS X 93 96.926 6.402 -9.145 1.00 1.00 C ATOM 1557 O LYS X 93 97.342 6.352 -7.988 1.00 1.00 O ATOM 1558 CB LYS X 93 95.151 4.898 -10.041 1.00 1.00 C ATOM 1559 CG LYS X 93 94.875 3.721 -10.977 1.00 1.00 C ATOM 1560 CD LYS X 93 93.366 3.492 -11.077 1.00 1.00 C ATOM 1561 CE LYS X 93 93.088 2.331 -12.034 1.00 1.00 C ATOM 1562 NZ LYS X 93 91.618 2.104 -12.126 1.00 1.00 N ATOM 0 H LYS X 93 96.720 3.390 -8.749 1.00 1.00 H new ATOM 0 HA LYS X 93 97.075 5.233 -10.942 1.00 1.00 H new ATOM 0 HB2 LYS X 93 94.735 4.697 -9.054 1.00 1.00 H new ATOM 0 HB3 LYS X 93 94.662 5.797 -10.416 1.00 1.00 H new ATOM 0 HG2 LYS X 93 95.289 3.923 -11.965 1.00 1.00 H new ATOM 0 HG3 LYS X 93 95.366 2.822 -10.603 1.00 1.00 H new ATOM 0 HD2 LYS X 93 92.955 3.272 -10.092 1.00 1.00 H new ATOM 0 HD3 LYS X 93 92.873 4.397 -11.433 1.00 1.00 H new ATOM 0 HE2 LYS X 93 93.495 2.553 -13.020 1.00 1.00 H new ATOM 0 HE3 LYS X 93 93.585 1.427 -11.681 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 91.429 1.315 -12.776 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 91.243 1.874 -11.184 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 91.155 2.965 -12.482 1.00 1.00 H new ATOM 1576 N GLU X 94 96.679 7.544 -9.782 1.00 1.00 N ATOM 1577 CA GLU X 94 96.890 8.836 -9.137 1.00 1.00 C ATOM 1578 C GLU X 94 98.329 8.966 -8.655 1.00 1.00 C ATOM 1579 O GLU X 94 98.660 9.880 -7.898 1.00 1.00 O ATOM 1580 CB GLU X 94 95.927 9.000 -7.953 1.00 1.00 C ATOM 1581 CG GLU X 94 94.488 9.096 -8.469 1.00 1.00 C ATOM 1582 CD GLU X 94 94.297 10.397 -9.244 1.00 1.00 C ATOM 1583 OE1 GLU X 94 95.075 11.310 -9.019 1.00 1.00 O ATOM 1584 OE2 GLU X 94 93.381 10.463 -10.046 1.00 1.00 O ATOM 0 H GLU X 94 96.334 7.601 -10.740 1.00 1.00 H new ATOM 0 HA GLU X 94 96.694 9.621 -9.868 1.00 1.00 H new ATOM 0 HB2 GLU X 94 96.024 8.154 -7.273 1.00 1.00 H new ATOM 0 HB3 GLU X 94 96.181 9.896 -7.386 1.00 1.00 H new ATOM 0 HG2 GLU X 94 94.266 8.244 -9.112 1.00 1.00 H new ATOM 0 HG3 GLU X 94 93.790 9.055 -7.633 1.00 1.00 H new ATOM 1591 N VAL X 95 99.183 8.048 -9.103 1.00 1.00 N ATOM 1592 CA VAL X 95 100.591 8.067 -8.718 1.00 1.00 C ATOM 1593 C VAL X 95 101.483 8.060 -9.958 1.00 1.00 C ATOM 1594 O VAL X 95 101.267 7.281 -10.885 1.00 1.00 O ATOM 1595 CB VAL X 95 100.912 6.852 -7.846 1.00 1.00 C ATOM 1596 CG1 VAL X 95 102.427 6.738 -7.658 1.00 1.00 C ATOM 1597 CG2 VAL X 95 100.239 7.010 -6.479 1.00 1.00 C ATOM 0 H VAL X 95 98.926 7.286 -9.730 1.00 1.00 H new ATOM 0 HA VAL X 95 100.783 8.978 -8.151 1.00 1.00 H new ATOM 0 HB VAL X 95 100.539 5.951 -8.333 1.00 1.00 H new ATOM 0 HG11 VAL X 95 102.652 5.871 -7.036 1.00 1.00 H new ATOM 0 HG12 VAL X 95 102.907 6.622 -8.630 1.00 1.00 H new ATOM 0 HG13 VAL X 95 102.802 7.639 -7.174 1.00 1.00 H new ATOM 0 HG21 VAL X 95 100.468 6.144 -5.858 1.00 1.00 H new ATOM 0 HG22 VAL X 95 100.609 7.913 -5.993 1.00 1.00 H new ATOM 0 HG23 VAL X 95 99.160 7.086 -6.611 1.00 1.00 H new ATOM 1607 N ASN X 96 102.484 8.935 -9.966 1.00 1.00 N ATOM 1608 CA ASN X 96 103.402 9.019 -11.096 1.00 1.00 C ATOM 1609 C ASN X 96 102.629 9.059 -12.410 1.00 1.00 C ATOM 1610 O ASN X 96 102.858 8.241 -13.301 1.00 1.00 O ATOM 1611 CB ASN X 96 104.346 7.816 -11.098 1.00 1.00 C ATOM 1612 CG ASN X 96 105.602 8.141 -11.899 1.00 1.00 C ATOM 1613 OD1 ASN X 96 106.712 7.816 -11.476 1.00 1.00 O ATOM 1614 ND2 ASN X 96 105.493 8.771 -13.036 1.00 1.00 N ATOM 0 H ASN X 96 102.679 9.591 -9.209 1.00 1.00 H new ATOM 0 HA ASN X 96 103.984 9.936 -10.997 1.00 1.00 H new ATOM 0 HB2 ASN X 96 104.615 7.553 -10.075 1.00 1.00 H new ATOM 0 HB3 ASN X 96 103.844 6.950 -11.529 1.00 1.00 H new ATOM 0 HD21 ASN X 96 106.328 8.995 -13.577 1.00 1.00 H new ATOM 0 HD22 ASN X 96 104.573 9.039 -13.384 1.00 1.00 H new ATOM 1621 N PRO X 97 101.725 9.992 -12.543 1.00 1.00 N ATOM 1622 CA PRO X 97 100.898 10.145 -13.775 1.00 1.00 C ATOM 1623 C PRO X 97 101.732 10.581 -14.978 1.00 1.00 C ATOM 1624 O PRO X 97 102.713 11.309 -14.834 1.00 1.00 O ATOM 1625 CB PRO X 97 99.870 11.216 -13.397 1.00 1.00 C ATOM 1626 CG PRO X 97 100.498 11.990 -12.288 1.00 1.00 C ATOM 1627 CD PRO X 97 101.393 11.009 -11.533 1.00 1.00 C ATOM 0 HA PRO X 97 100.440 9.204 -14.079 1.00 1.00 H new ATOM 0 HB2 PRO X 97 99.642 11.860 -14.246 1.00 1.00 H new ATOM 0 HB3 PRO X 97 98.930 10.764 -13.079 1.00 1.00 H new ATOM 0 HG2 PRO X 97 101.079 12.826 -12.678 1.00 1.00 H new ATOM 0 HG3 PRO X 97 99.739 12.410 -11.628 1.00 1.00 H new ATOM 0 HD2 PRO X 97 102.288 11.498 -11.148 1.00 1.00 H new ATOM 0 HD3 PRO X 97 100.876 10.571 -10.679 1.00 1.00 H new ATOM 1635 N GLN X 98 101.332 10.130 -16.161 1.00 1.00 N ATOM 1636 CA GLN X 98 102.045 10.480 -17.383 1.00 1.00 C ATOM 1637 C GLN X 98 101.063 10.799 -18.502 1.00 1.00 C ATOM 1638 O GLN X 98 99.906 10.378 -18.461 1.00 1.00 O ATOM 1639 CB GLN X 98 102.949 9.324 -17.816 1.00 1.00 C ATOM 1640 CG GLN X 98 104.082 9.150 -16.803 1.00 1.00 C ATOM 1641 CD GLN X 98 104.975 7.983 -17.217 1.00 1.00 C ATOM 1642 OE1 GLN X 98 104.802 7.423 -18.298 1.00 1.00 O ATOM 1643 NE2 GLN X 98 105.923 7.583 -16.414 1.00 1.00 N ATOM 0 H GLN X 98 100.523 9.525 -16.300 1.00 1.00 H new ATOM 0 HA GLN X 98 102.654 11.361 -17.182 1.00 1.00 H new ATOM 0 HB2 GLN X 98 102.369 8.404 -17.890 1.00 1.00 H new ATOM 0 HB3 GLN X 98 103.360 9.522 -18.806 1.00 1.00 H new ATOM 0 HG2 GLN X 98 104.670 10.065 -16.742 1.00 1.00 H new ATOM 0 HG3 GLN X 98 103.669 8.969 -15.810 1.00 1.00 H new ATOM 0 HE21 GLN X 98 106.063 8.050 -15.518 1.00 1.00 H new ATOM 0 HE22 GLN X 98 106.523 6.803 -16.682 1.00 1.00 H new ATOM 1652 N VAL X 99 101.532 11.546 -19.497 1.00 1.00 N ATOM 1653 CA VAL X 99 100.690 11.921 -20.628 1.00 1.00 C ATOM 1654 C VAL X 99 101.321 11.457 -21.937 1.00 1.00 C ATOM 1655 O VAL X 99 102.502 11.697 -22.188 1.00 1.00 O ATOM 1656 CB VAL X 99 100.509 13.439 -20.652 1.00 1.00 C ATOM 1657 CG1 VAL X 99 99.848 13.856 -21.967 1.00 1.00 C ATOM 1658 CG2 VAL X 99 99.624 13.864 -19.477 1.00 1.00 C ATOM 0 H VAL X 99 102.487 11.902 -19.543 1.00 1.00 H new ATOM 0 HA VAL X 99 99.718 11.440 -20.518 1.00 1.00 H new ATOM 0 HB VAL X 99 101.482 13.922 -20.568 1.00 1.00 H new ATOM 0 HG11 VAL X 99 99.720 14.938 -21.983 1.00 1.00 H new ATOM 0 HG12 VAL X 99 100.478 13.553 -22.803 1.00 1.00 H new ATOM 0 HG13 VAL X 99 98.874 13.374 -22.054 1.00 1.00 H new ATOM 0 HG21 VAL X 99 99.494 14.946 -19.492 1.00 1.00 H new ATOM 0 HG22 VAL X 99 98.651 13.380 -19.561 1.00 1.00 H new ATOM 0 HG23 VAL X 99 100.097 13.569 -18.540 1.00 1.00 H new ATOM 1668 N MET X 100 100.525 10.790 -22.768 1.00 1.00 N ATOM 1669 CA MET X 100 101.017 10.294 -24.050 1.00 1.00 C ATOM 1670 C MET X 100 102.324 9.529 -23.864 1.00 1.00 C ATOM 1671 O MET X 100 102.265 8.318 -23.742 1.00 1.00 O ATOM 1672 CB MET X 100 101.237 11.464 -25.009 1.00 1.00 C ATOM 1673 CG MET X 100 99.885 12.059 -25.405 1.00 1.00 C ATOM 1674 SD MET X 100 100.147 13.531 -26.428 1.00 1.00 S ATOM 1675 CE MET X 100 100.786 12.691 -27.899 1.00 1.00 C ATOM 1676 OXT MET X 100 103.363 10.167 -23.849 1.00 1.00 O ATOM 0 H MET X 100 99.545 10.582 -22.579 1.00 1.00 H new ATOM 0 HA MET X 100 100.272 9.617 -24.468 1.00 1.00 H new ATOM 0 HB2 MET X 100 101.857 12.225 -24.535 1.00 1.00 H new ATOM 0 HB3 MET X 100 101.771 11.125 -25.897 1.00 1.00 H new ATOM 0 HG2 MET X 100 99.298 11.322 -25.953 1.00 1.00 H new ATOM 0 HG3 MET X 100 99.316 12.320 -24.513 1.00 1.00 H new ATOM 0 HE1 MET X 100 100.634 13.323 -28.774 1.00 1.00 H new ATOM 0 HE2 MET X 100 101.851 12.496 -27.773 1.00 1.00 H new ATOM 0 HE3 MET X 100 100.258 11.747 -28.037 1.00 1.00 H new TER 1686 MET X 100