USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=25 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 96 ASN : amide:sc= -0.756 K(o=-2.2,f=-3.1!) USER MOD Set 1.2: X 98 GLN :FLIP amide:sc= -1.47 F(o=-4.1!,f=-2.2) USER MOD Single : X 1 MET CE :methyl -156:sc= -0.0779 (180deg=-0.807) USER MOD Single : X 1 MET N :NH3+ -164:sc= -0.0515 (180deg=-0.544) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 6 SER OG : rot 180:sc= -0.269 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 16 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.133) USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : X 20 LYS NZ :NH3+ -177:sc= -0.217 (180deg=-0.217) USER MOD Single : X 21 THR OG1 : rot -69:sc= 0.373 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.156) USER MOD Single : X 28 TYR OH : rot 180:sc= -0.052 USER MOD Single : X 33 LYS NZ :NH3+ -165:sc=-0.00268 (180deg=-0.336) 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 -57:sc= 0.105! USER MOD Single : X 47 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 82:sc= 0.825 USER MOD Single : X 64 GLN : amide:sc= -4.07! C(o=-4.1!,f=-5.4!) 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 68 ASN :FLIP amide:sc= -1.26 F(o=-2.3!,f=-1.3) USER MOD Single : X 69 THR OG1 : rot -5:sc= 0.37 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 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -76:sc= 0.637 USER MOD Single : X 84 ASN : amide:sc= -0.0272 K(o=-0.027,f=-0.67!) USER MOD Single : X 87 LYS NZ :NH3+ -155:sc= 0.00218 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ -164:sc= -0.012 (180deg=-0.302) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 100 MET CE :methyl -153:sc= -0.167 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 65.652 -0.044 -0.837 1.00 1.00 N ATOM 2 CA MET X 1 64.724 -1.205 -0.956 1.00 1.00 C ATOM 3 C MET X 1 63.497 -0.794 -1.764 1.00 1.00 C ATOM 4 O MET X 1 62.855 -1.628 -2.402 1.00 1.00 O ATOM 5 CB MET X 1 64.300 -1.661 0.444 1.00 1.00 C ATOM 6 CG MET X 1 65.498 -2.287 1.163 1.00 1.00 C ATOM 7 SD MET X 1 64.983 -2.885 2.794 1.00 1.00 S ATOM 8 CE MET X 1 64.731 -1.272 3.581 1.00 1.00 C ATOM 0 H1 MET X 1 66.589 -0.378 -0.534 1.00 1.00 H new ATOM 0 H2 MET X 1 65.735 0.430 -1.759 1.00 1.00 H new ATOM 0 H3 MET X 1 65.280 0.627 -0.135 1.00 1.00 H new ATOM 0 HA MET X 1 65.227 -2.028 -1.464 1.00 1.00 H new ATOM 0 HB2 MET X 1 63.922 -0.813 1.015 1.00 1.00 H new ATOM 0 HB3 MET X 1 63.487 -2.384 0.372 1.00 1.00 H new ATOM 0 HG2 MET X 1 65.900 -3.111 0.573 1.00 1.00 H new ATOM 0 HG3 MET X 1 66.296 -1.552 1.269 1.00 1.00 H new ATOM 0 HE1 MET X 1 64.828 -1.375 4.662 1.00 1.00 H new ATOM 0 HE2 MET X 1 65.479 -0.568 3.216 1.00 1.00 H new ATOM 0 HE3 MET X 1 63.735 -0.901 3.340 1.00 1.00 H new ATOM 20 N GLY X 2 63.175 0.495 -1.731 1.00 1.00 N ATOM 21 CA GLY X 2 62.020 1.003 -2.464 1.00 1.00 C ATOM 22 C GLY X 2 62.206 0.829 -3.967 1.00 1.00 C ATOM 23 O GLY X 2 61.275 0.441 -4.674 1.00 1.00 O ATOM 0 H GLY X 2 63.693 1.202 -1.209 1.00 1.00 H new ATOM 0 HA2 GLY X 2 61.121 0.478 -2.142 1.00 1.00 H new ATOM 0 HA3 GLY X 2 61.873 2.058 -2.232 1.00 1.00 H new ATOM 27 N GLN X 3 63.413 1.113 -4.446 1.00 1.00 N ATOM 28 CA GLN X 3 63.716 0.981 -5.867 1.00 1.00 C ATOM 29 C GLN X 3 64.618 -0.225 -6.106 1.00 1.00 C ATOM 30 O GLN X 3 65.722 -0.303 -5.567 1.00 1.00 O ATOM 31 CB GLN X 3 64.403 2.251 -6.372 1.00 1.00 C ATOM 32 CG GLN X 3 63.392 3.399 -6.407 1.00 1.00 C ATOM 33 CD GLN X 3 64.087 4.698 -6.804 1.00 1.00 C ATOM 34 OE1 GLN X 3 65.290 4.705 -7.065 1.00 1.00 O ATOM 35 NE2 GLN X 3 63.398 5.804 -6.861 1.00 1.00 N ATOM 0 H GLN X 3 64.194 1.435 -3.874 1.00 1.00 H new ATOM 0 HA GLN X 3 62.783 0.836 -6.412 1.00 1.00 H new ATOM 0 HB2 GLN X 3 65.239 2.508 -5.721 1.00 1.00 H new ATOM 0 HB3 GLN X 3 64.814 2.084 -7.368 1.00 1.00 H new ATOM 0 HG2 GLN X 3 62.596 3.172 -7.116 1.00 1.00 H new ATOM 0 HG3 GLN X 3 62.924 3.512 -5.429 1.00 1.00 H new ATOM 0 HE21 GLN X 3 62.401 5.796 -6.644 1.00 1.00 H new ATOM 0 HE22 GLN X 3 63.856 6.677 -7.122 1.00 1.00 H new ATOM 44 N GLU X 4 64.139 -1.164 -6.914 1.00 1.00 N ATOM 45 CA GLU X 4 64.907 -2.367 -7.212 1.00 1.00 C ATOM 46 C GLU X 4 66.176 -2.017 -7.975 1.00 1.00 C ATOM 47 O GLU X 4 67.251 -2.546 -7.690 1.00 1.00 O ATOM 48 CB GLU X 4 64.062 -3.321 -8.054 1.00 1.00 C ATOM 49 CG GLU X 4 62.879 -3.809 -7.224 1.00 1.00 C ATOM 50 CD GLU X 4 62.017 -4.758 -8.051 1.00 1.00 C ATOM 51 OE1 GLU X 4 62.409 -5.063 -9.165 1.00 1.00 O ATOM 52 OE2 GLU X 4 60.981 -5.169 -7.556 1.00 1.00 O ATOM 0 H GLU X 4 63.229 -1.116 -7.372 1.00 1.00 H new ATOM 0 HA GLU X 4 65.180 -2.845 -6.271 1.00 1.00 H new ATOM 0 HB2 GLU X 4 63.707 -2.815 -8.952 1.00 1.00 H new ATOM 0 HB3 GLU X 4 64.665 -4.167 -8.382 1.00 1.00 H new ATOM 0 HG2 GLU X 4 63.237 -4.317 -6.329 1.00 1.00 H new ATOM 0 HG3 GLU X 4 62.283 -2.959 -6.891 1.00 1.00 H new ATOM 59 N LEU X 5 66.038 -1.124 -8.946 1.00 1.00 N ATOM 60 CA LEU X 5 67.177 -0.701 -9.757 1.00 1.00 C ATOM 61 C LEU X 5 67.575 0.728 -9.411 1.00 1.00 C ATOM 62 O LEU X 5 66.734 1.626 -9.370 1.00 1.00 O ATOM 63 CB LEU X 5 66.827 -0.785 -11.247 1.00 1.00 C ATOM 64 CG LEU X 5 68.077 -0.512 -12.098 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.123 -1.606 -11.864 1.00 1.00 C ATOM 66 CD2 LEU X 5 67.691 -0.496 -13.579 1.00 1.00 C ATOM 0 H LEU X 5 65.154 -0.679 -9.192 1.00 1.00 H new ATOM 0 HA LEU X 5 68.014 -1.366 -9.544 1.00 1.00 H new ATOM 0 HB2 LEU X 5 66.427 -1.772 -11.480 1.00 1.00 H new ATOM 0 HB3 LEU X 5 66.048 -0.061 -11.487 1.00 1.00 H new ATOM 0 HG LEU X 5 68.496 0.453 -11.812 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.005 -1.403 -12.472 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.404 -1.621 -10.811 1.00 1.00 H new ATOM 0 HD13 LEU X 5 68.706 -2.574 -12.142 1.00 1.00 H new ATOM 0 HD21 LEU X 5 68.577 -0.302 -14.184 1.00 1.00 H new ATOM 0 HD22 LEU X 5 67.267 -1.462 -13.855 1.00 1.00 H new ATOM 0 HD23 LEU X 5 66.954 0.287 -13.754 1.00 1.00 H new ATOM 78 N SER X 6 68.866 0.930 -9.165 1.00 1.00 N ATOM 79 CA SER X 6 69.371 2.253 -8.825 1.00 1.00 C ATOM 80 C SER X 6 70.771 2.450 -9.400 1.00 1.00 C ATOM 81 O SER X 6 71.462 1.483 -9.719 1.00 1.00 O ATOM 82 CB SER X 6 69.411 2.425 -7.306 1.00 1.00 C ATOM 83 OG SER X 6 70.601 1.837 -6.799 1.00 1.00 O ATOM 0 H SER X 6 69.576 0.199 -9.195 1.00 1.00 H new ATOM 0 HA SER X 6 68.703 3.000 -9.254 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.375 3.483 -7.047 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.538 1.956 -6.852 1.00 1.00 H new ATOM 0 HG SER X 6 70.631 1.947 -5.826 1.00 1.00 H new ATOM 89 N GLN X 7 71.179 3.707 -9.529 1.00 1.00 N ATOM 90 CA GLN X 7 72.497 4.023 -10.070 1.00 1.00 C ATOM 91 C GLN X 7 73.596 3.503 -9.148 1.00 1.00 C ATOM 92 O GLN X 7 74.686 3.154 -9.601 1.00 1.00 O ATOM 93 CB GLN X 7 72.644 5.537 -10.238 1.00 1.00 C ATOM 94 CG GLN X 7 71.680 6.028 -11.320 1.00 1.00 C ATOM 95 CD GLN X 7 71.810 7.538 -11.489 1.00 1.00 C ATOM 96 OE1 GLN X 7 72.687 8.158 -10.888 1.00 1.00 O ATOM 97 NE2 GLN X 7 70.985 8.170 -12.278 1.00 1.00 N ATOM 0 H GLN X 7 70.621 4.520 -9.268 1.00 1.00 H new ATOM 0 HA GLN X 7 72.595 3.538 -11.041 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.434 6.040 -9.294 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.670 5.785 -10.510 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.896 5.528 -12.264 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.656 5.771 -11.050 1.00 1.00 H new ATOM 0 HE21 GLN X 7 70.259 7.654 -12.775 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.066 9.180 -12.398 1.00 1.00 H new ATOM 106 N HIS X 8 73.301 3.457 -7.854 1.00 1.00 N ATOM 107 CA HIS X 8 74.271 2.979 -6.876 1.00 1.00 C ATOM 108 C HIS X 8 74.551 1.495 -7.086 1.00 1.00 C ATOM 109 O HIS X 8 75.690 1.043 -6.964 1.00 1.00 O ATOM 110 CB HIS X 8 73.744 3.210 -5.459 1.00 1.00 C ATOM 111 CG HIS X 8 73.693 4.689 -5.181 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.835 5.433 -4.933 1.00 1.00 N ATOM 113 CD2 HIS X 8 72.646 5.573 -5.108 1.00 1.00 C ATOM 114 CE1 HIS X 8 74.453 6.707 -4.726 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.128 6.847 -4.820 1.00 1.00 N ATOM 0 H HIS X 8 72.405 3.743 -7.460 1.00 1.00 H new ATOM 0 HA HIS X 8 75.199 3.535 -7.009 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.751 2.774 -5.353 1.00 1.00 H new ATOM 0 HB3 HIS X 8 74.389 2.714 -4.734 1.00 1.00 H new ATOM 0 HD2 HIS X 8 71.606 5.319 -5.252 1.00 1.00 H new ATOM 0 HE1 HIS X 8 75.134 7.517 -4.510 1.00 1.00 H new ATOM 0 HE2 HIS X 8 72.586 7.703 -4.705 1.00 1.00 H new ATOM 123 N GLU X 9 73.504 0.743 -7.405 1.00 1.00 N ATOM 124 CA GLU X 9 73.645 -0.689 -7.634 1.00 1.00 C ATOM 125 C GLU X 9 74.548 -0.954 -8.835 1.00 1.00 C ATOM 126 O GLU X 9 75.412 -1.828 -8.789 1.00 1.00 O ATOM 127 CB GLU X 9 72.267 -1.304 -7.878 1.00 1.00 C ATOM 128 CG GLU X 9 71.462 -1.282 -6.578 1.00 1.00 C ATOM 129 CD GLU X 9 70.037 -1.756 -6.839 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.762 -2.155 -7.958 1.00 1.00 O ATOM 131 OE2 GLU X 9 69.235 -1.690 -5.921 1.00 1.00 O ATOM 0 H GLU X 9 72.554 1.099 -7.510 1.00 1.00 H new ATOM 0 HA GLU X 9 74.099 -1.143 -6.753 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.741 -0.748 -8.654 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.372 -2.328 -8.236 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.937 -1.923 -5.836 1.00 1.00 H new ATOM 0 HG3 GLU X 9 71.449 -0.273 -6.166 1.00 1.00 H new ATOM 138 N ARG X 10 74.344 -0.194 -9.906 1.00 1.00 N ATOM 139 CA ARG X 10 75.144 -0.357 -11.111 1.00 1.00 C ATOM 140 C ARG X 10 76.611 -0.046 -10.832 1.00 1.00 C ATOM 141 O ARG X 10 77.507 -0.693 -11.376 1.00 1.00 O ATOM 142 CB ARG X 10 74.629 0.576 -12.207 1.00 1.00 C ATOM 143 CG ARG X 10 73.254 0.098 -12.675 1.00 1.00 C ATOM 144 CD ARG X 10 72.763 0.993 -13.814 1.00 1.00 C ATOM 145 NE ARG X 10 71.450 0.552 -14.273 1.00 1.00 N ATOM 146 CZ ARG X 10 70.926 1.014 -15.403 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.592 1.871 -16.129 1.00 1.00 N ATOM 148 NH2 ARG X 10 69.747 0.612 -15.788 1.00 1.00 N ATOM 0 H ARG X 10 73.635 0.537 -9.963 1.00 1.00 H new ATOM 0 HA ARG X 10 75.060 -1.393 -11.440 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.563 1.597 -11.830 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.326 0.591 -13.045 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.312 -0.937 -13.011 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.546 0.125 -11.846 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.709 2.028 -13.475 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.473 0.965 -14.640 1.00 1.00 H new ATOM 0 HE ARG X 10 70.925 -0.123 -13.717 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.515 2.186 -15.829 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.190 2.226 -16.997 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.226 -0.058 -15.221 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.345 0.967 -16.656 1.00 1.00 H new ATOM 162 N TYR X 11 76.851 0.952 -9.990 1.00 1.00 N ATOM 163 CA TYR X 11 78.214 1.345 -9.655 1.00 1.00 C ATOM 164 C TYR X 11 78.966 0.174 -9.024 1.00 1.00 C ATOM 165 O TYR X 11 80.113 -0.102 -9.377 1.00 1.00 O ATOM 166 CB TYR X 11 78.192 2.529 -8.684 1.00 1.00 C ATOM 167 CG TYR X 11 79.605 2.991 -8.419 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.292 3.714 -9.402 1.00 1.00 C ATOM 169 CD2 TYR X 11 80.229 2.702 -7.200 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.602 4.148 -9.165 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.538 3.135 -6.962 1.00 1.00 C ATOM 172 CZ TYR X 11 82.225 3.858 -7.946 1.00 1.00 C ATOM 173 OH TYR X 11 83.516 4.286 -7.711 1.00 1.00 O ATOM 0 H TYR X 11 76.125 1.501 -9.529 1.00 1.00 H new ATOM 0 HA TYR X 11 78.727 1.640 -10.571 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.604 3.345 -9.103 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.712 2.238 -7.750 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.811 3.937 -10.343 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.699 2.144 -6.442 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.131 4.706 -9.923 1.00 1.00 H new ATOM 0 HE2 TYR X 11 82.018 2.912 -6.021 1.00 1.00 H new ATOM 0 HH TYR X 11 83.797 4.002 -6.816 1.00 1.00 H new ATOM 183 N VAL X 12 78.308 -0.512 -8.092 1.00 1.00 N ATOM 184 CA VAL X 12 78.922 -1.658 -7.421 1.00 1.00 C ATOM 185 C VAL X 12 79.250 -2.750 -8.426 1.00 1.00 C ATOM 186 O VAL X 12 80.351 -3.297 -8.427 1.00 1.00 O ATOM 187 CB VAL X 12 77.973 -2.211 -6.344 1.00 1.00 C ATOM 188 CG1 VAL X 12 78.152 -3.726 -6.201 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.302 -1.558 -5.006 1.00 1.00 C ATOM 0 H VAL X 12 77.359 -0.298 -7.786 1.00 1.00 H new ATOM 0 HA VAL X 12 79.846 -1.326 -6.948 1.00 1.00 H new ATOM 0 HB VAL X 12 76.946 -1.994 -6.637 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.474 -4.102 -5.435 1.00 1.00 H new ATOM 0 HG12 VAL X 12 77.930 -4.210 -7.152 1.00 1.00 H new ATOM 0 HG13 VAL X 12 79.180 -3.945 -5.914 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.633 -1.945 -4.238 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.334 -1.783 -4.735 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.175 -0.478 -5.087 1.00 1.00 H new ATOM 199 N GLU X 13 78.284 -3.065 -9.278 1.00 1.00 N ATOM 200 CA GLU X 13 78.484 -4.101 -10.281 1.00 1.00 C ATOM 201 C GLU X 13 79.790 -3.868 -11.026 1.00 1.00 C ATOM 202 O GLU X 13 80.526 -4.811 -11.311 1.00 1.00 O ATOM 203 CB GLU X 13 77.322 -4.098 -11.275 1.00 1.00 C ATOM 204 CG GLU X 13 76.039 -4.541 -10.570 1.00 1.00 C ATOM 205 CD GLU X 13 76.140 -6.009 -10.167 1.00 1.00 C ATOM 206 OE1 GLU X 13 76.941 -6.711 -10.762 1.00 1.00 O ATOM 207 OE2 GLU X 13 75.409 -6.411 -9.277 1.00 1.00 O ATOM 0 H GLU X 13 77.364 -2.624 -9.295 1.00 1.00 H new ATOM 0 HA GLU X 13 78.527 -5.067 -9.779 1.00 1.00 H new ATOM 0 HB2 GLU X 13 77.192 -3.100 -11.694 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.541 -4.767 -12.107 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.869 -3.925 -9.687 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.184 -4.395 -11.230 1.00 1.00 H new ATOM 214 N GLN X 14 80.083 -2.609 -11.333 1.00 1.00 N ATOM 215 CA GLN X 14 81.316 -2.288 -12.040 1.00 1.00 C ATOM 216 C GLN X 14 82.522 -2.636 -11.183 1.00 1.00 C ATOM 217 O GLN X 14 83.496 -3.208 -11.670 1.00 1.00 O ATOM 218 CB GLN X 14 81.354 -0.800 -12.396 1.00 1.00 C ATOM 219 CG GLN X 14 80.319 -0.505 -13.480 1.00 1.00 C ATOM 220 CD GLN X 14 80.300 0.989 -13.789 1.00 1.00 C ATOM 221 OE1 GLN X 14 81.106 1.746 -13.250 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.421 1.459 -14.631 1.00 1.00 N ATOM 0 H GLN X 14 79.495 -1.807 -11.108 1.00 1.00 H new ATOM 0 HA GLN X 14 81.347 -2.876 -12.957 1.00 1.00 H new ATOM 0 HB2 GLN X 14 81.149 -0.199 -11.510 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.349 -0.525 -12.745 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.555 -1.069 -14.383 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.332 -0.829 -13.150 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.754 0.829 -15.077 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.401 2.456 -14.844 1.00 1.00 H new ATOM 231 N LEU X 15 82.451 -2.293 -9.903 1.00 1.00 N ATOM 232 CA LEU X 15 83.547 -2.587 -8.994 1.00 1.00 C ATOM 233 C LEU X 15 83.727 -4.089 -8.871 1.00 1.00 C ATOM 234 O LEU X 15 84.843 -4.587 -8.834 1.00 1.00 O ATOM 235 CB LEU X 15 83.264 -2.006 -7.610 1.00 1.00 C ATOM 236 CG LEU X 15 83.248 -0.477 -7.691 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.765 0.096 -6.361 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.656 0.053 -7.989 1.00 1.00 C ATOM 0 H LEU X 15 81.656 -1.817 -9.477 1.00 1.00 H new ATOM 0 HA LEU X 15 84.455 -2.136 -9.395 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.306 -2.371 -7.240 1.00 1.00 H new ATOM 0 HB3 LEU X 15 84.026 -2.335 -6.903 1.00 1.00 H new ATOM 0 HG LEU X 15 82.576 -0.172 -8.493 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.753 1.185 -6.417 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.759 -0.268 -6.152 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.438 -0.219 -5.563 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.631 1.141 -8.044 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.336 -0.255 -7.195 1.00 1.00 H new ATOM 0 HD23 LEU X 15 85.003 -0.351 -8.940 1.00 1.00 H new ATOM 250 N LYS X 16 82.617 -4.808 -8.799 1.00 1.00 N ATOM 251 CA LYS X 16 82.676 -6.251 -8.653 1.00 1.00 C ATOM 252 C LYS X 16 83.561 -6.863 -9.732 1.00 1.00 C ATOM 253 O LYS X 16 84.408 -7.710 -9.443 1.00 1.00 O ATOM 254 CB LYS X 16 81.273 -6.844 -8.778 1.00 1.00 C ATOM 255 CG LYS X 16 81.220 -8.186 -8.055 1.00 1.00 C ATOM 256 CD LYS X 16 79.917 -8.903 -8.413 1.00 1.00 C ATOM 257 CE LYS X 16 79.817 -10.214 -7.628 1.00 1.00 C ATOM 258 NZ LYS X 16 78.560 -10.921 -7.999 1.00 1.00 N ATOM 0 H LYS X 16 81.675 -4.419 -8.839 1.00 1.00 H new ATOM 0 HA LYS X 16 83.093 -6.476 -7.671 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.539 -6.160 -8.352 1.00 1.00 H new ATOM 0 HB3 LYS X 16 81.015 -6.975 -9.829 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.075 -8.799 -8.339 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.280 -8.034 -6.977 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.064 -8.264 -8.183 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.884 -9.105 -9.484 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.679 -10.846 -7.843 1.00 1.00 H new ATOM 0 HE3 LYS X 16 79.830 -10.011 -6.557 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 78.343 -11.643 -7.283 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 77.778 -10.237 -8.048 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.679 -11.378 -8.926 1.00 1.00 H new ATOM 272 N GLN X 17 83.356 -6.446 -10.978 1.00 1.00 N ATOM 273 CA GLN X 17 84.142 -6.991 -12.081 1.00 1.00 C ATOM 274 C GLN X 17 85.579 -6.469 -12.071 1.00 1.00 C ATOM 275 O GLN X 17 86.531 -7.241 -12.200 1.00 1.00 O ATOM 276 CB GLN X 17 83.481 -6.637 -13.412 1.00 1.00 C ATOM 277 CG GLN X 17 82.017 -7.077 -13.378 1.00 1.00 C ATOM 278 CD GLN X 17 81.422 -7.006 -14.781 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.941 -7.625 -15.710 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.362 -6.274 -14.993 1.00 1.00 N ATOM 0 H GLN X 17 82.665 -5.745 -11.247 1.00 1.00 H new ATOM 0 HA GLN X 17 84.178 -8.073 -11.956 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.547 -5.564 -13.590 1.00 1.00 H new ATOM 0 HB3 GLN X 17 84.002 -7.129 -14.233 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.942 -8.094 -12.993 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.451 -6.437 -12.701 1.00 1.00 H new ATOM 0 HE21 GLN X 17 79.933 -5.762 -14.222 1.00 1.00 H new ATOM 0 HE22 GLN X 17 79.962 -6.214 -15.930 1.00 1.00 H new ATOM 289 N ALA X 18 85.725 -5.156 -11.939 1.00 1.00 N ATOM 290 CA ALA X 18 87.048 -4.533 -11.941 1.00 1.00 C ATOM 291 C ALA X 18 87.932 -5.092 -10.830 1.00 1.00 C ATOM 292 O ALA X 18 89.063 -5.512 -11.077 1.00 1.00 O ATOM 293 CB ALA X 18 86.906 -3.018 -11.768 1.00 1.00 C ATOM 0 H ALA X 18 84.949 -4.503 -11.830 1.00 1.00 H new ATOM 0 HA ALA X 18 87.522 -4.756 -12.897 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.894 -2.557 -11.770 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.315 -2.612 -12.589 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.408 -2.805 -10.822 1.00 1.00 H new ATOM 299 N LEU X 19 87.412 -5.098 -9.612 1.00 1.00 N ATOM 300 CA LEU X 19 88.159 -5.609 -8.473 1.00 1.00 C ATOM 301 C LEU X 19 88.398 -7.109 -8.619 1.00 1.00 C ATOM 302 O LEU X 19 89.407 -7.634 -8.153 1.00 1.00 O ATOM 303 CB LEU X 19 87.401 -5.305 -7.180 1.00 1.00 C ATOM 304 CG LEU X 19 87.711 -3.873 -6.724 1.00 1.00 C ATOM 305 CD1 LEU X 19 87.515 -2.889 -7.879 1.00 1.00 C ATOM 306 CD2 LEU X 19 86.763 -3.490 -5.589 1.00 1.00 C ATOM 0 H LEU X 19 86.478 -4.756 -9.387 1.00 1.00 H new ATOM 0 HA LEU X 19 89.130 -5.116 -8.435 1.00 1.00 H new ATOM 0 HB2 LEU X 19 86.329 -5.422 -7.339 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.688 -6.014 -6.404 1.00 1.00 H new ATOM 0 HG LEU X 19 88.747 -3.830 -6.387 1.00 1.00 H new ATOM 0 HD11 LEU X 19 87.739 -1.878 -7.538 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.184 -3.152 -8.699 1.00 1.00 H new ATOM 0 HD13 LEU X 19 86.482 -2.935 -8.225 1.00 1.00 H new ATOM 0 HD21 LEU X 19 86.980 -2.473 -5.262 1.00 1.00 H new ATOM 0 HD22 LEU X 19 85.733 -3.546 -5.941 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.899 -4.177 -4.754 1.00 1.00 H new ATOM 318 N LYS X 20 87.466 -7.796 -9.267 1.00 1.00 N ATOM 319 CA LYS X 20 87.601 -9.236 -9.461 1.00 1.00 C ATOM 320 C LYS X 20 88.872 -9.561 -10.231 1.00 1.00 C ATOM 321 O LYS X 20 89.550 -10.544 -9.934 1.00 1.00 O ATOM 322 CB LYS X 20 86.395 -9.791 -10.219 1.00 1.00 C ATOM 323 CG LYS X 20 85.422 -10.435 -9.232 1.00 1.00 C ATOM 324 CD LYS X 20 84.153 -10.853 -9.975 1.00 1.00 C ATOM 325 CE LYS X 20 83.222 -11.594 -9.017 1.00 1.00 C ATOM 326 NZ LYS X 20 81.979 -11.985 -9.741 1.00 1.00 N ATOM 0 H LYS X 20 86.619 -7.388 -9.663 1.00 1.00 H new ATOM 0 HA LYS X 20 87.653 -9.701 -8.476 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.897 -8.991 -10.767 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.722 -10.526 -10.955 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.884 -11.303 -8.761 1.00 1.00 H new ATOM 0 HG3 LYS X 20 85.176 -9.733 -8.435 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.651 -9.975 -10.381 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.408 -11.493 -10.820 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.719 -12.479 -8.621 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.976 -10.958 -8.166 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 81.322 -12.445 -9.079 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.530 -11.137 -10.142 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 82.217 -12.646 -10.507 1.00 1.00 H new ATOM 340 N THR X 21 89.191 -8.738 -11.216 1.00 1.00 N ATOM 341 CA THR X 21 90.388 -8.961 -12.013 1.00 1.00 C ATOM 342 C THR X 21 91.640 -8.747 -11.170 1.00 1.00 C ATOM 343 O THR X 21 92.741 -9.129 -11.568 1.00 1.00 O ATOM 344 CB THR X 21 90.399 -8.019 -13.216 1.00 1.00 C ATOM 345 OG1 THR X 21 90.287 -6.675 -12.766 1.00 1.00 O ATOM 346 CG2 THR X 21 89.220 -8.357 -14.129 1.00 1.00 C ATOM 0 H THR X 21 88.646 -7.918 -11.482 1.00 1.00 H new ATOM 0 HA THR X 21 90.381 -9.992 -12.368 1.00 1.00 H new ATOM 0 HB THR X 21 91.332 -8.136 -13.768 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.388 -6.524 -12.408 1.00 1.00 H new ATOM 0 HG21 THR X 21 89.223 -7.688 -14.989 1.00 1.00 H new ATOM 0 HG22 THR X 21 89.309 -9.388 -14.471 1.00 1.00 H new ATOM 0 HG23 THR X 21 88.287 -8.236 -13.578 1.00 1.00 H new ATOM 354 N ARG X 22 91.467 -8.131 -10.004 1.00 1.00 N ATOM 355 CA ARG X 22 92.594 -7.870 -9.117 1.00 1.00 C ATOM 356 C ARG X 22 92.796 -8.998 -8.106 1.00 1.00 C ATOM 357 O ARG X 22 93.778 -8.996 -7.366 1.00 1.00 O ATOM 358 CB ARG X 22 92.384 -6.550 -8.369 1.00 1.00 C ATOM 359 CG ARG X 22 93.080 -5.403 -9.114 1.00 1.00 C ATOM 360 CD ARG X 22 94.592 -5.402 -8.814 1.00 1.00 C ATOM 361 NE ARG X 22 94.829 -5.537 -7.380 1.00 1.00 N ATOM 362 CZ ARG X 22 96.029 -5.850 -6.901 1.00 1.00 C ATOM 363 NH1 ARG X 22 97.030 -6.034 -7.717 1.00 1.00 N ATOM 364 NH2 ARG X 22 96.206 -5.971 -5.614 1.00 1.00 N ATOM 0 H ARG X 22 90.565 -7.806 -9.654 1.00 1.00 H new ATOM 0 HA ARG X 22 93.487 -7.806 -9.739 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.318 -6.341 -8.278 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.781 -6.630 -7.357 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.916 -5.506 -10.187 1.00 1.00 H new ATOM 0 HG3 ARG X 22 92.644 -4.450 -8.815 1.00 1.00 H new ATOM 0 HD2 ARG X 22 95.075 -6.221 -9.347 1.00 1.00 H new ATOM 0 HD3 ARG X 22 95.040 -4.477 -9.177 1.00 1.00 H new ATOM 0 HE ARG X 22 94.057 -5.388 -6.731 1.00 1.00 H new ATOM 0 HH11 ARG X 22 96.892 -5.938 -8.723 1.00 1.00 H new ATOM 0 HH12 ARG X 22 97.950 -6.274 -7.349 1.00 1.00 H new ATOM 0 HH21 ARG X 22 95.424 -5.825 -4.976 1.00 1.00 H new ATOM 0 HH22 ARG X 22 97.127 -6.211 -5.246 1.00 1.00 H new ATOM 378 N GLY X 23 91.873 -9.954 -8.077 1.00 1.00 N ATOM 379 CA GLY X 23 91.982 -11.075 -7.141 1.00 1.00 C ATOM 380 C GLY X 23 90.956 -10.967 -6.021 1.00 1.00 C ATOM 381 O GLY X 23 91.134 -11.546 -4.948 1.00 1.00 O ATOM 0 H GLY X 23 91.051 -9.979 -8.680 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.840 -12.013 -7.677 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.985 -11.099 -6.716 1.00 1.00 H new ATOM 385 N VAL X 24 89.889 -10.217 -6.271 1.00 1.00 N ATOM 386 CA VAL X 24 88.848 -10.036 -5.266 1.00 1.00 C ATOM 387 C VAL X 24 87.641 -10.922 -5.555 1.00 1.00 C ATOM 388 O VAL X 24 87.124 -10.941 -6.668 1.00 1.00 O ATOM 389 CB VAL X 24 88.406 -8.574 -5.242 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.148 -8.432 -4.384 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.524 -7.719 -4.649 1.00 1.00 C ATOM 0 H VAL X 24 89.722 -9.729 -7.151 1.00 1.00 H new ATOM 0 HA VAL X 24 89.260 -10.319 -4.297 1.00 1.00 H new ATOM 0 HB VAL X 24 88.190 -8.243 -6.258 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.834 -7.388 -4.368 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.350 -9.044 -4.804 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.362 -8.762 -3.367 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.212 -6.675 -4.630 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.737 -8.052 -3.633 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.421 -7.819 -5.260 1.00 1.00 H new ATOM 401 N LYS X 25 87.190 -11.649 -4.539 1.00 1.00 N ATOM 402 CA LYS X 25 86.033 -12.528 -4.691 1.00 1.00 C ATOM 403 C LYS X 25 84.950 -12.162 -3.684 1.00 1.00 C ATOM 404 O LYS X 25 84.951 -12.642 -2.550 1.00 1.00 O ATOM 405 CB LYS X 25 86.451 -13.985 -4.495 1.00 1.00 C ATOM 406 CG LYS X 25 87.306 -14.432 -5.682 1.00 1.00 C ATOM 407 CD LYS X 25 87.735 -15.887 -5.478 1.00 1.00 C ATOM 408 CE LYS X 25 88.584 -16.345 -6.666 1.00 1.00 C ATOM 409 NZ LYS X 25 89.023 -17.753 -6.448 1.00 1.00 N ATOM 0 H LYS X 25 87.604 -11.649 -3.607 1.00 1.00 H new ATOM 0 HA LYS X 25 85.634 -12.403 -5.697 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.013 -14.092 -3.567 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.569 -14.620 -4.409 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.741 -14.334 -6.609 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.183 -13.792 -5.774 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.304 -15.982 -4.553 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.857 -16.525 -5.379 1.00 1.00 H new ATOM 0 HE2 LYS X 25 88.008 -16.271 -7.589 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.452 -15.695 -6.779 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.600 -18.066 -7.255 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.587 -17.810 -5.576 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 88.188 -18.367 -6.361 1.00 1.00 H new ATOM 423 N VAL X 26 84.026 -11.306 -4.109 1.00 1.00 N ATOM 424 CA VAL X 26 82.938 -10.876 -3.244 1.00 1.00 C ATOM 425 C VAL X 26 81.612 -10.892 -4.006 1.00 1.00 C ATOM 426 O VAL X 26 81.592 -10.850 -5.236 1.00 1.00 O ATOM 427 CB VAL X 26 83.225 -9.464 -2.724 1.00 1.00 C ATOM 428 CG1 VAL X 26 81.974 -8.903 -2.060 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.356 -9.514 -1.698 1.00 1.00 C ATOM 0 H VAL X 26 84.010 -10.899 -5.044 1.00 1.00 H new ATOM 0 HA VAL X 26 82.862 -11.564 -2.402 1.00 1.00 H new ATOM 0 HB VAL X 26 83.517 -8.827 -3.559 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.178 -7.898 -1.690 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.163 -8.864 -2.787 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.685 -9.545 -1.228 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.558 -8.508 -1.330 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.064 -10.153 -0.865 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.254 -9.916 -2.166 1.00 1.00 H new ATOM 439 N LYS X 27 80.508 -10.955 -3.266 1.00 1.00 N ATOM 440 CA LYS X 27 79.183 -10.980 -3.876 1.00 1.00 C ATOM 441 C LYS X 27 78.697 -9.564 -4.185 1.00 1.00 C ATOM 442 O LYS X 27 79.082 -8.603 -3.523 1.00 1.00 O ATOM 443 CB LYS X 27 78.210 -11.657 -2.917 1.00 1.00 C ATOM 444 CG LYS X 27 78.608 -13.123 -2.750 1.00 1.00 C ATOM 445 CD LYS X 27 77.731 -13.758 -1.676 1.00 1.00 C ATOM 446 CE LYS X 27 78.134 -15.219 -1.473 1.00 1.00 C ATOM 447 NZ LYS X 27 77.721 -16.021 -2.660 1.00 1.00 N ATOM 0 H LYS X 27 80.505 -10.990 -2.247 1.00 1.00 H new ATOM 0 HA LYS X 27 79.236 -11.534 -4.813 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.222 -11.152 -1.951 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.193 -11.585 -3.301 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.491 -13.655 -3.694 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.659 -13.198 -2.470 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.833 -13.210 -0.739 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.682 -13.698 -1.968 1.00 1.00 H new ATOM 0 HE2 LYS X 27 79.212 -15.293 -1.329 1.00 1.00 H new ATOM 0 HE3 LYS X 27 77.664 -15.615 -0.573 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.791 -17.034 -2.436 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.739 -15.789 -2.911 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 78.345 -15.800 -3.462 1.00 1.00 H new ATOM 461 N TYR X 28 77.841 -9.443 -5.190 1.00 1.00 N ATOM 462 CA TYR X 28 77.307 -8.139 -5.570 1.00 1.00 C ATOM 463 C TYR X 28 76.575 -7.497 -4.400 1.00 1.00 C ATOM 464 O TYR X 28 76.786 -6.325 -4.085 1.00 1.00 O ATOM 465 CB TYR X 28 76.346 -8.303 -6.747 1.00 1.00 C ATOM 466 CG TYR X 28 75.052 -7.574 -6.461 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.021 -6.175 -6.438 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.883 -8.305 -6.220 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.819 -5.506 -6.176 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.681 -7.636 -5.957 1.00 1.00 C ATOM 471 CZ TYR X 28 72.649 -6.237 -5.935 1.00 1.00 C ATOM 472 OH TYR X 28 71.466 -5.577 -5.677 1.00 1.00 O ATOM 0 H TYR X 28 77.503 -10.223 -5.754 1.00 1.00 H new ATOM 0 HA TYR X 28 78.136 -7.493 -5.859 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.801 -7.911 -7.657 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.147 -9.361 -6.921 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.924 -5.612 -6.622 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.908 -9.385 -6.237 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.794 -4.426 -6.160 1.00 1.00 H new ATOM 0 HE2 TYR X 28 71.779 -8.200 -5.771 1.00 1.00 H new ATOM 0 HH TYR X 28 70.751 -6.231 -5.533 1.00 1.00 H new ATOM 482 N ALA X 29 75.715 -8.273 -3.765 1.00 1.00 N ATOM 483 CA ALA X 29 74.946 -7.783 -2.630 1.00 1.00 C ATOM 484 C ALA X 29 75.861 -7.377 -1.479 1.00 1.00 C ATOM 485 O ALA X 29 75.587 -6.406 -0.780 1.00 1.00 O ATOM 486 CB ALA X 29 73.979 -8.863 -2.147 1.00 1.00 C ATOM 0 H ALA X 29 75.530 -9.245 -4.014 1.00 1.00 H new ATOM 0 HA ALA X 29 74.388 -6.906 -2.958 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.408 -8.487 -1.298 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.296 -9.128 -2.954 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.542 -9.746 -1.844 1.00 1.00 H new ATOM 492 N ASP X 30 76.942 -8.122 -1.274 1.00 1.00 N ATOM 493 CA ASP X 30 77.859 -7.811 -0.184 1.00 1.00 C ATOM 494 C ASP X 30 78.372 -6.379 -0.297 1.00 1.00 C ATOM 495 O ASP X 30 78.346 -5.628 0.676 1.00 1.00 O ATOM 496 CB ASP X 30 79.043 -8.783 -0.197 1.00 1.00 C ATOM 497 CG ASP X 30 78.697 -10.074 0.548 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.607 -10.156 1.086 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.534 -10.961 0.562 1.00 1.00 O ATOM 0 H ASP X 30 77.202 -8.932 -1.837 1.00 1.00 H new ATOM 0 HA ASP X 30 77.316 -7.914 0.755 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.317 -9.015 -1.226 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.910 -8.312 0.266 1.00 1.00 H new ATOM 504 N LEU X 31 78.821 -5.998 -1.488 1.00 1.00 N ATOM 505 CA LEU X 31 79.319 -4.641 -1.705 1.00 1.00 C ATOM 506 C LEU X 31 78.186 -3.632 -1.568 1.00 1.00 C ATOM 507 O LEU X 31 78.376 -2.543 -1.028 1.00 1.00 O ATOM 508 CB LEU X 31 79.939 -4.516 -3.097 1.00 1.00 C ATOM 509 CG LEU X 31 81.230 -5.340 -3.171 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.720 -5.402 -4.620 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.315 -4.700 -2.298 1.00 1.00 C ATOM 0 H LEU X 31 78.851 -6.600 -2.311 1.00 1.00 H new ATOM 0 HA LEU X 31 80.080 -4.435 -0.952 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.233 -4.863 -3.851 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.152 -3.470 -3.317 1.00 1.00 H new ATOM 0 HG LEU X 31 81.025 -6.347 -2.809 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.638 -5.988 -4.669 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.957 -5.869 -5.242 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.915 -4.392 -4.982 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.227 -5.293 -2.358 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.516 -3.688 -2.651 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.974 -4.662 -1.263 1.00 1.00 H new ATOM 523 N LEU X 32 77.007 -3.996 -2.071 1.00 1.00 N ATOM 524 CA LEU X 32 75.856 -3.107 -2.004 1.00 1.00 C ATOM 525 C LEU X 32 75.500 -2.823 -0.548 1.00 1.00 C ATOM 526 O LEU X 32 75.223 -1.682 -0.179 1.00 1.00 O ATOM 527 CB LEU X 32 74.663 -3.744 -2.733 1.00 1.00 C ATOM 528 CG LEU X 32 73.445 -2.810 -2.667 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.756 -1.500 -3.398 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.249 -3.491 -3.330 1.00 1.00 C ATOM 0 H LEU X 32 76.828 -4.892 -2.524 1.00 1.00 H new ATOM 0 HA LEU X 32 76.102 -2.164 -2.492 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.925 -3.940 -3.773 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.420 -4.704 -2.279 1.00 1.00 H new ATOM 0 HG LEU X 32 73.212 -2.593 -1.624 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.889 -0.841 -3.348 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.609 -1.013 -2.926 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.991 -1.712 -4.441 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.383 -2.831 -3.285 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.485 -3.708 -4.372 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.024 -4.421 -2.807 1.00 1.00 H new ATOM 542 N LYS X 33 75.517 -3.862 0.278 1.00 1.00 N ATOM 543 CA LYS X 33 75.204 -3.701 1.692 1.00 1.00 C ATOM 544 C LYS X 33 76.228 -2.788 2.360 1.00 1.00 C ATOM 545 O LYS X 33 75.870 -1.940 3.175 1.00 1.00 O ATOM 546 CB LYS X 33 75.194 -5.062 2.387 1.00 1.00 C ATOM 547 CG LYS X 33 73.986 -5.864 1.909 1.00 1.00 C ATOM 548 CD LYS X 33 74.026 -7.262 2.523 1.00 1.00 C ATOM 549 CE LYS X 33 72.887 -8.099 1.945 1.00 1.00 C ATOM 550 NZ LYS X 33 71.582 -7.533 2.388 1.00 1.00 N ATOM 0 H LYS X 33 75.742 -4.816 -0.003 1.00 1.00 H new ATOM 0 HA LYS X 33 74.216 -3.249 1.779 1.00 1.00 H new ATOM 0 HB2 LYS X 33 76.114 -5.603 2.166 1.00 1.00 H new ATOM 0 HB3 LYS X 33 75.153 -4.931 3.468 1.00 1.00 H new ATOM 0 HG2 LYS X 33 73.064 -5.357 2.193 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.989 -5.933 0.821 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.984 -7.737 2.313 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.932 -7.199 3.607 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.942 -8.106 0.856 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.978 -9.134 2.275 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.827 -8.227 2.217 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.626 -7.312 3.403 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.381 -6.664 1.853 1.00 1.00 H new ATOM 564 N PHE X 34 77.503 -2.970 2.016 1.00 1.00 N ATOM 565 CA PHE X 34 78.561 -2.152 2.600 1.00 1.00 C ATOM 566 C PHE X 34 78.336 -0.674 2.257 1.00 1.00 C ATOM 567 O PHE X 34 78.444 0.195 3.121 1.00 1.00 O ATOM 568 CB PHE X 34 79.923 -2.600 2.064 1.00 1.00 C ATOM 569 CG PHE X 34 80.999 -2.291 3.089 1.00 1.00 C ATOM 570 CD1 PHE X 34 81.310 -0.967 3.417 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.679 -3.345 3.710 1.00 1.00 C ATOM 572 CE1 PHE X 34 82.302 -0.696 4.367 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.671 -3.074 4.660 1.00 1.00 C ATOM 574 CZ PHE X 34 82.983 -1.750 4.988 1.00 1.00 C ATOM 0 H PHE X 34 77.824 -3.668 1.345 1.00 1.00 H new ATOM 0 HA PHE X 34 78.541 -2.275 3.683 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.907 -3.668 1.849 1.00 1.00 H new ATOM 0 HB3 PHE X 34 80.142 -2.089 1.126 1.00 1.00 H new ATOM 0 HD1 PHE X 34 80.785 -0.154 2.937 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.439 -4.367 3.456 1.00 1.00 H new ATOM 0 HE1 PHE X 34 82.542 0.326 4.621 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.196 -3.887 5.140 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.749 -1.541 5.720 1.00 1.00 H new ATOM 584 N PHE X 35 78.022 -0.395 0.992 1.00 1.00 N ATOM 585 CA PHE X 35 77.783 0.985 0.563 1.00 1.00 C ATOM 586 C PHE X 35 76.642 1.602 1.364 1.00 1.00 C ATOM 587 O PHE X 35 76.695 2.771 1.748 1.00 1.00 O ATOM 588 CB PHE X 35 77.445 1.036 -0.932 1.00 1.00 C ATOM 589 CG PHE X 35 78.697 1.325 -1.728 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.298 2.586 -1.642 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.256 0.337 -2.548 1.00 1.00 C ATOM 592 CE1 PHE X 35 80.459 2.860 -2.375 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.416 0.611 -3.282 1.00 1.00 C ATOM 594 CZ PHE X 35 81.017 1.872 -3.196 1.00 1.00 C ATOM 0 H PHE X 35 77.928 -1.094 0.255 1.00 1.00 H new ATOM 0 HA PHE X 35 78.695 1.556 0.740 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.012 0.087 -1.249 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.697 1.807 -1.120 1.00 1.00 H new ATOM 0 HD1 PHE X 35 78.866 3.348 -1.010 1.00 1.00 H new ATOM 0 HD2 PHE X 35 78.792 -0.636 -2.614 1.00 1.00 H new ATOM 0 HE1 PHE X 35 80.924 3.832 -2.307 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.847 -0.151 -3.915 1.00 1.00 H new ATOM 0 HZ PHE X 35 81.912 2.083 -3.763 1.00 1.00 H new ATOM 604 N ASP X 36 75.609 0.812 1.616 1.00 1.00 N ATOM 605 CA ASP X 36 74.467 1.292 2.379 1.00 1.00 C ATOM 606 C ASP X 36 74.828 1.405 3.858 1.00 1.00 C ATOM 607 O ASP X 36 74.252 2.213 4.589 1.00 1.00 O ATOM 608 CB ASP X 36 73.281 0.345 2.197 1.00 1.00 C ATOM 609 CG ASP X 36 71.984 1.050 2.582 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.055 2.019 3.320 1.00 1.00 O ATOM 611 OD2 ASP X 36 70.941 0.615 2.124 1.00 1.00 O ATOM 0 H ASP X 36 75.538 -0.157 1.306 1.00 1.00 H new ATOM 0 HA ASP X 36 74.190 2.280 2.012 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.228 0.010 1.161 1.00 1.00 H new ATOM 0 HB3 ASP X 36 73.418 -0.544 2.813 1.00 1.00 H new ATOM 616 N PHE X 37 75.776 0.580 4.298 1.00 1.00 N ATOM 617 CA PHE X 37 76.196 0.592 5.698 1.00 1.00 C ATOM 618 C PHE X 37 76.772 1.953 6.085 1.00 1.00 C ATOM 619 O PHE X 37 76.348 2.554 7.072 1.00 1.00 O ATOM 620 CB PHE X 37 77.254 -0.486 5.931 1.00 1.00 C ATOM 621 CG PHE X 37 77.579 -0.563 7.400 1.00 1.00 C ATOM 622 CD1 PHE X 37 78.539 0.293 7.953 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.924 -1.498 8.212 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.843 0.216 9.317 1.00 1.00 C ATOM 625 CE2 PHE X 37 77.230 -1.575 9.577 1.00 1.00 C ATOM 626 CZ PHE X 37 78.188 -0.718 10.128 1.00 1.00 C ATOM 0 H PHE X 37 76.263 -0.098 3.713 1.00 1.00 H new ATOM 0 HA PHE X 37 75.320 0.393 6.316 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.890 -1.450 5.577 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.154 -0.257 5.360 1.00 1.00 H new ATOM 0 HD1 PHE X 37 79.045 1.013 7.327 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.184 -2.159 7.786 1.00 1.00 H new ATOM 0 HE1 PHE X 37 79.583 0.877 9.744 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.726 -2.296 10.204 1.00 1.00 H new ATOM 0 HZ PHE X 37 78.423 -0.777 11.181 1.00 1.00 H new ATOM 636 N VAL X 38 77.733 2.439 5.299 1.00 1.00 N ATOM 637 CA VAL X 38 78.346 3.740 5.577 1.00 1.00 C ATOM 638 C VAL X 38 77.322 4.851 5.390 1.00 1.00 C ATOM 639 O VAL X 38 77.292 5.806 6.148 1.00 1.00 O ATOM 640 CB VAL X 38 79.555 3.983 4.655 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.114 3.920 3.197 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.167 5.370 4.923 1.00 1.00 C ATOM 0 H VAL X 38 78.100 1.961 4.476 1.00 1.00 H new ATOM 0 HA VAL X 38 78.693 3.741 6.610 1.00 1.00 H new ATOM 0 HB VAL X 38 80.299 3.212 4.857 1.00 1.00 H new ATOM 0 HG11 VAL X 38 79.973 4.093 2.549 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.693 2.937 2.987 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.360 4.685 3.011 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.020 5.525 4.263 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.419 6.140 4.736 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.496 5.428 5.961 1.00 1.00 H new ATOM 652 N LYS X 39 76.495 4.728 4.368 1.00 1.00 N ATOM 653 CA LYS X 39 75.490 5.748 4.094 1.00 1.00 C ATOM 654 C LYS X 39 74.483 5.842 5.232 1.00 1.00 C ATOM 655 O LYS X 39 73.933 6.910 5.504 1.00 1.00 O ATOM 656 CB LYS X 39 74.761 5.416 2.796 1.00 1.00 C ATOM 657 CG LYS X 39 73.877 6.594 2.389 1.00 1.00 C ATOM 658 CD LYS X 39 73.229 6.303 1.034 1.00 1.00 C ATOM 659 CE LYS X 39 72.366 7.493 0.612 1.00 1.00 C ATOM 660 NZ LYS X 39 71.808 7.246 -0.748 1.00 1.00 N ATOM 0 H LYS X 39 76.495 3.942 3.718 1.00 1.00 H new ATOM 0 HA LYS X 39 75.996 6.709 3.999 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.482 5.200 2.007 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.153 4.521 2.927 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.108 6.763 3.143 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.472 7.506 2.331 1.00 1.00 H new ATOM 0 HD2 LYS X 39 73.998 6.115 0.285 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.618 5.402 1.097 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.557 7.641 1.327 1.00 1.00 H new ATOM 0 HE3 LYS X 39 72.962 8.406 0.612 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 71.221 8.055 -1.035 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.587 7.126 -1.426 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.226 6.384 -0.733 1.00 1.00 H new ATOM 674 N ASP X 40 74.228 4.714 5.876 1.00 1.00 N ATOM 675 CA ASP X 40 73.261 4.668 6.970 1.00 1.00 C ATOM 676 C ASP X 40 73.783 5.381 8.215 1.00 1.00 C ATOM 677 O ASP X 40 73.080 6.189 8.820 1.00 1.00 O ATOM 678 CB ASP X 40 72.948 3.210 7.321 1.00 1.00 C ATOM 679 CG ASP X 40 71.912 2.635 6.356 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.433 3.375 5.512 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.638 1.450 6.458 1.00 1.00 O ATOM 0 H ASP X 40 74.673 3.821 5.664 1.00 1.00 H new ATOM 0 HA ASP X 40 72.358 5.180 6.636 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.861 2.616 7.279 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.574 3.148 8.343 1.00 1.00 H new ATOM 686 N THR X 41 75.013 5.069 8.602 1.00 1.00 N ATOM 687 CA THR X 41 75.605 5.684 9.791 1.00 1.00 C ATOM 688 C THR X 41 76.524 6.831 9.406 1.00 1.00 C ATOM 689 O THR X 41 76.970 7.602 10.255 1.00 1.00 O ATOM 690 CB THR X 41 76.397 4.639 10.580 1.00 1.00 C ATOM 691 OG1 THR X 41 77.550 4.258 9.839 1.00 1.00 O ATOM 692 CG2 THR X 41 75.515 3.414 10.819 1.00 1.00 C ATOM 0 H THR X 41 75.617 4.403 8.120 1.00 1.00 H new ATOM 0 HA THR X 41 74.798 6.076 10.410 1.00 1.00 H new ATOM 0 HB THR X 41 76.706 5.059 11.537 1.00 1.00 H new ATOM 0 HG1 THR X 41 78.058 3.590 10.345 1.00 1.00 H new ATOM 0 HG21 THR X 41 76.075 2.666 11.381 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.631 3.707 11.386 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.209 2.994 9.861 1.00 1.00 H new ATOM 700 N CYS X 42 76.825 6.916 8.125 1.00 1.00 N ATOM 701 CA CYS X 42 77.715 7.944 7.623 1.00 1.00 C ATOM 702 C CYS X 42 77.227 8.457 6.257 1.00 1.00 C ATOM 703 O CYS X 42 77.607 7.916 5.217 1.00 1.00 O ATOM 704 CB CYS X 42 79.120 7.351 7.489 1.00 1.00 C ATOM 705 SG CYS X 42 80.167 7.954 8.837 1.00 1.00 S ATOM 0 H CYS X 42 76.465 6.283 7.411 1.00 1.00 H new ATOM 0 HA CYS X 42 77.730 8.785 8.316 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.070 6.262 7.514 1.00 1.00 H new ATOM 0 HB3 CYS X 42 79.552 7.629 6.528 1.00 1.00 H new ATOM 0 HG CYS X 42 80.189 9.254 8.821 1.00 1.00 H new ATOM 711 N PRO X 43 76.385 9.468 6.229 1.00 1.00 N ATOM 712 CA PRO X 43 75.838 10.010 4.952 1.00 1.00 C ATOM 713 C PRO X 43 76.858 10.832 4.173 1.00 1.00 C ATOM 714 O PRO X 43 76.566 11.324 3.083 1.00 1.00 O ATOM 715 CB PRO X 43 74.653 10.869 5.392 1.00 1.00 C ATOM 716 CG PRO X 43 74.954 11.284 6.793 1.00 1.00 C ATOM 717 CD PRO X 43 75.873 10.219 7.395 1.00 1.00 C ATOM 0 HA PRO X 43 75.556 9.211 4.266 1.00 1.00 H new ATOM 0 HB2 PRO X 43 74.536 11.737 4.743 1.00 1.00 H new ATOM 0 HB3 PRO X 43 73.721 10.306 5.342 1.00 1.00 H new ATOM 0 HG2 PRO X 43 75.436 12.261 6.809 1.00 1.00 H new ATOM 0 HG3 PRO X 43 74.036 11.372 7.374 1.00 1.00 H new ATOM 0 HD2 PRO X 43 76.686 10.672 7.963 1.00 1.00 H new ATOM 0 HD3 PRO X 43 75.330 9.567 8.079 1.00 1.00 H new ATOM 725 N TRP X 44 78.048 10.987 4.742 1.00 1.00 N ATOM 726 CA TRP X 44 79.091 11.755 4.102 1.00 1.00 C ATOM 727 C TRP X 44 80.121 10.827 3.470 1.00 1.00 C ATOM 728 O TRP X 44 80.222 9.653 3.827 1.00 1.00 O ATOM 729 CB TRP X 44 79.762 12.655 5.141 1.00 1.00 C ATOM 730 CG TRP X 44 80.068 11.862 6.376 1.00 1.00 C ATOM 731 CD1 TRP X 44 80.921 10.816 6.444 1.00 1.00 C ATOM 732 CD2 TRP X 44 79.534 12.041 7.721 1.00 1.00 C ATOM 733 NE1 TRP X 44 80.945 10.341 7.743 1.00 1.00 N ATOM 734 CE2 TRP X 44 80.107 11.064 8.567 1.00 1.00 C ATOM 735 CE3 TRP X 44 78.616 12.950 8.281 1.00 1.00 C ATOM 736 CZ2 TRP X 44 79.781 10.989 9.923 1.00 1.00 C ATOM 737 CZ3 TRP X 44 78.286 12.877 9.645 1.00 1.00 C ATOM 738 CH2 TRP X 44 78.868 11.898 10.463 1.00 1.00 C ATOM 0 H TRP X 44 78.307 10.589 5.644 1.00 1.00 H new ATOM 0 HA TRP X 44 78.654 12.369 3.315 1.00 1.00 H new ATOM 0 HB2 TRP X 44 80.680 13.077 4.732 1.00 1.00 H new ATOM 0 HB3 TRP X 44 79.108 13.492 5.387 1.00 1.00 H new ATOM 0 HD1 TRP X 44 81.491 10.416 5.619 1.00 1.00 H new ATOM 0 HE1 TRP X 44 81.513 9.553 8.054 1.00 1.00 H new ATOM 0 HE3 TRP X 44 78.163 13.708 7.659 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.232 10.234 10.550 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 77.581 13.578 10.065 1.00 1.00 H new ATOM 0 HH2 TRP X 44 78.610 11.847 11.511 1.00 1.00 H new ATOM 749 N PHE X 45 80.880 11.365 2.533 1.00 1.00 N ATOM 750 CA PHE X 45 81.912 10.589 1.852 1.00 1.00 C ATOM 751 C PHE X 45 83.127 11.465 1.540 1.00 1.00 C ATOM 752 O PHE X 45 83.430 11.744 0.380 1.00 1.00 O ATOM 753 CB PHE X 45 81.347 9.984 0.559 1.00 1.00 C ATOM 754 CG PHE X 45 82.055 8.684 0.253 1.00 1.00 C ATOM 755 CD1 PHE X 45 81.691 7.517 0.935 1.00 1.00 C ATOM 756 CD2 PHE X 45 83.069 8.643 -0.712 1.00 1.00 C ATOM 757 CE1 PHE X 45 82.341 6.310 0.654 1.00 1.00 C ATOM 758 CE2 PHE X 45 83.720 7.435 -0.993 1.00 1.00 C ATOM 759 CZ PHE X 45 83.356 6.268 -0.310 1.00 1.00 C ATOM 0 H PHE X 45 80.805 12.334 2.223 1.00 1.00 H new ATOM 0 HA PHE X 45 82.231 9.782 2.511 1.00 1.00 H new ATOM 0 HB2 PHE X 45 80.276 9.810 0.665 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.476 10.683 -0.268 1.00 1.00 H new ATOM 0 HD1 PHE X 45 80.908 7.548 1.678 1.00 1.00 H new ATOM 0 HD2 PHE X 45 83.349 9.543 -1.240 1.00 1.00 H new ATOM 0 HE1 PHE X 45 82.060 5.410 1.181 1.00 1.00 H new ATOM 0 HE2 PHE X 45 84.503 7.404 -1.736 1.00 1.00 H new ATOM 0 HZ PHE X 45 83.858 5.336 -0.526 1.00 1.00 H new ATOM 769 N PRO X 46 83.827 11.895 2.560 1.00 1.00 N ATOM 770 CA PRO X 46 85.038 12.754 2.404 1.00 1.00 C ATOM 771 C PRO X 46 86.067 12.135 1.466 1.00 1.00 C ATOM 772 O PRO X 46 86.238 10.916 1.432 1.00 1.00 O ATOM 773 CB PRO X 46 85.600 12.856 3.827 1.00 1.00 C ATOM 774 CG PRO X 46 84.452 12.567 4.732 1.00 1.00 C ATOM 775 CD PRO X 46 83.526 11.622 3.973 1.00 1.00 C ATOM 0 HA PRO X 46 84.794 13.721 1.964 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.410 12.143 3.981 1.00 1.00 H new ATOM 0 HB3 PRO X 46 86.009 13.848 4.017 1.00 1.00 H new ATOM 0 HG2 PRO X 46 84.796 12.110 5.660 1.00 1.00 H new ATOM 0 HG3 PRO X 46 83.931 13.485 5.003 1.00 1.00 H new ATOM 0 HD2 PRO X 46 83.720 10.580 4.229 1.00 1.00 H new ATOM 0 HD3 PRO X 46 82.479 11.817 4.204 1.00 1.00 H new ATOM 783 N GLN X 47 86.738 12.990 0.699 1.00 1.00 N ATOM 784 CA GLN X 47 87.744 12.529 -0.249 1.00 1.00 C ATOM 785 C GLN X 47 89.062 13.263 -0.029 1.00 1.00 C ATOM 786 O GLN X 47 89.077 14.461 0.253 1.00 1.00 O ATOM 787 CB GLN X 47 87.256 12.774 -1.678 1.00 1.00 C ATOM 788 CG GLN X 47 86.000 11.941 -1.938 1.00 1.00 C ATOM 789 CD GLN X 47 85.493 12.187 -3.354 1.00 1.00 C ATOM 790 OE1 GLN X 47 85.203 13.325 -3.725 1.00 1.00 O ATOM 791 NE2 GLN X 47 85.367 11.180 -4.175 1.00 1.00 N ATOM 0 H GLN X 47 86.603 14.001 0.716 1.00 1.00 H new ATOM 0 HA GLN X 47 87.905 11.462 -0.094 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.040 13.832 -1.823 1.00 1.00 H new ATOM 0 HB3 GLN X 47 88.036 12.507 -2.391 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.221 10.883 -1.801 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.226 12.201 -1.216 1.00 1.00 H new ATOM 0 HE21 GLN X 47 85.607 10.238 -3.867 1.00 1.00 H new ATOM 0 HE22 GLN X 47 85.028 11.335 -5.124 1.00 1.00 H new ATOM 800 N GLU X 48 90.164 12.535 -0.158 1.00 1.00 N ATOM 801 CA GLU X 48 91.486 13.124 0.030 1.00 1.00 C ATOM 802 C GLU X 48 92.465 12.586 -1.009 1.00 1.00 C ATOM 803 O GLU X 48 92.142 11.668 -1.762 1.00 1.00 O ATOM 804 CB GLU X 48 92.002 12.814 1.437 1.00 1.00 C ATOM 805 CG GLU X 48 91.147 13.552 2.469 1.00 1.00 C ATOM 806 CD GLU X 48 91.616 13.207 3.878 1.00 1.00 C ATOM 807 OE1 GLU X 48 92.601 12.497 3.996 1.00 1.00 O ATOM 808 OE2 GLU X 48 90.987 13.663 4.819 1.00 1.00 O ATOM 0 H GLU X 48 90.171 11.542 -0.391 1.00 1.00 H new ATOM 0 HA GLU X 48 91.404 14.204 -0.093 1.00 1.00 H new ATOM 0 HB2 GLU X 48 91.966 11.740 1.621 1.00 1.00 H new ATOM 0 HB3 GLU X 48 93.045 13.118 1.529 1.00 1.00 H new ATOM 0 HG2 GLU X 48 91.215 14.628 2.307 1.00 1.00 H new ATOM 0 HG3 GLU X 48 90.099 13.277 2.348 1.00 1.00 H new ATOM 815 N GLY X 49 93.662 13.166 -1.044 1.00 1.00 N ATOM 816 CA GLY X 49 94.681 12.737 -1.998 1.00 1.00 C ATOM 817 C GLY X 49 95.018 11.263 -1.799 1.00 1.00 C ATOM 818 O GLY X 49 95.241 10.532 -2.763 1.00 1.00 O ATOM 0 H GLY X 49 93.949 13.927 -0.429 1.00 1.00 H new ATOM 0 HA2 GLY X 49 94.326 12.900 -3.015 1.00 1.00 H new ATOM 0 HA3 GLY X 49 95.580 13.341 -1.874 1.00 1.00 H new ATOM 822 N THR X 50 95.040 10.832 -0.543 1.00 1.00 N ATOM 823 CA THR X 50 95.337 9.444 -0.225 1.00 1.00 C ATOM 824 C THR X 50 94.104 8.583 -0.460 1.00 1.00 C ATOM 825 O THR X 50 92.999 9.102 -0.616 1.00 1.00 O ATOM 826 CB THR X 50 95.786 9.318 1.231 1.00 1.00 C ATOM 827 OG1 THR X 50 94.718 9.692 2.089 1.00 1.00 O ATOM 828 CG2 THR X 50 96.986 10.233 1.475 1.00 1.00 C ATOM 0 H THR X 50 94.856 11.423 0.268 1.00 1.00 H new ATOM 0 HA THR X 50 96.143 9.101 -0.873 1.00 1.00 H new ATOM 0 HB THR X 50 96.071 8.286 1.437 1.00 1.00 H new ATOM 0 HG1 THR X 50 95.004 9.610 3.023 1.00 1.00 H new ATOM 0 HG21 THR X 50 97.307 10.144 2.513 1.00 1.00 H new ATOM 0 HG22 THR X 50 97.805 9.943 0.816 1.00 1.00 H new ATOM 0 HG23 THR X 50 96.704 11.266 1.270 1.00 1.00 H new ATOM 836 N ILE X 51 94.306 7.268 -0.501 1.00 1.00 N ATOM 837 CA ILE X 51 93.205 6.336 -0.734 1.00 1.00 C ATOM 838 C ILE X 51 91.933 6.832 -0.045 1.00 1.00 C ATOM 839 O ILE X 51 91.815 6.783 1.180 1.00 1.00 O ATOM 840 CB ILE X 51 93.577 4.947 -0.180 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.797 4.372 -0.923 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.396 3.995 -0.354 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.412 3.243 -0.096 1.00 1.00 C ATOM 0 H ILE X 51 95.217 6.825 -0.377 1.00 1.00 H new ATOM 0 HA ILE X 51 93.024 6.269 -1.807 1.00 1.00 H new ATOM 0 HB ILE X 51 93.823 5.053 0.877 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.497 3.998 -1.902 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.535 5.156 -1.094 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.660 3.013 0.038 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.533 4.382 0.188 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.151 3.909 -1.413 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.276 2.836 -0.622 1.00 1.00 H new ATOM 0 HD12 ILE X 51 95.727 3.631 0.873 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.673 2.456 0.052 1.00 1.00 H new ATOM 855 N ASP X 52 90.982 7.307 -0.849 1.00 1.00 N ATOM 856 CA ASP X 52 89.715 7.810 -0.323 1.00 1.00 C ATOM 857 C ASP X 52 88.894 6.683 0.281 1.00 1.00 C ATOM 858 O ASP X 52 88.265 6.846 1.326 1.00 1.00 O ATOM 859 CB ASP X 52 88.920 8.484 -1.442 1.00 1.00 C ATOM 860 CG ASP X 52 87.501 8.778 -0.970 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.347 9.200 0.165 1.00 1.00 O ATOM 862 OD2 ASP X 52 86.588 8.568 -1.749 1.00 1.00 O ATOM 0 H ASP X 52 91.065 7.354 -1.865 1.00 1.00 H new ATOM 0 HA ASP X 52 89.933 8.537 0.459 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.411 9.410 -1.742 1.00 1.00 H new ATOM 0 HB3 ASP X 52 88.894 7.839 -2.320 1.00 1.00 H new ATOM 867 N ILE X 53 88.906 5.539 -0.385 1.00 1.00 N ATOM 868 CA ILE X 53 88.161 4.386 0.091 1.00 1.00 C ATOM 869 C ILE X 53 88.598 4.007 1.494 1.00 1.00 C ATOM 870 O ILE X 53 87.884 3.309 2.214 1.00 1.00 O ATOM 871 CB ILE X 53 88.368 3.208 -0.850 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.591 3.478 -2.137 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.868 1.926 -0.179 1.00 1.00 C ATOM 874 CD1 ILE X 53 87.914 2.404 -3.175 1.00 1.00 C ATOM 0 H ILE X 53 89.421 5.385 -1.252 1.00 1.00 H new ATOM 0 HA ILE X 53 87.103 4.646 0.115 1.00 1.00 H new ATOM 0 HB ILE X 53 89.426 3.084 -1.083 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.521 3.487 -1.931 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.848 4.463 -2.528 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.016 1.082 -0.852 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.425 1.757 0.743 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.807 2.026 0.051 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.356 2.603 -4.090 1.00 1.00 H new ATOM 0 HD12 ILE X 53 88.982 2.416 -3.391 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.634 1.425 -2.785 1.00 1.00 H new ATOM 886 N LYS X 54 89.775 4.465 1.881 1.00 1.00 N ATOM 887 CA LYS X 54 90.286 4.151 3.201 1.00 1.00 C ATOM 888 C LYS X 54 89.311 4.614 4.270 1.00 1.00 C ATOM 889 O LYS X 54 88.951 3.849 5.156 1.00 1.00 O ATOM 890 CB LYS X 54 91.640 4.834 3.405 1.00 1.00 C ATOM 891 CG LYS X 54 92.203 4.468 4.779 1.00 1.00 C ATOM 892 CD LYS X 54 93.601 5.067 4.934 1.00 1.00 C ATOM 893 CE LYS X 54 94.167 4.693 6.305 1.00 1.00 C ATOM 894 NZ LYS X 54 95.551 5.230 6.435 1.00 1.00 N ATOM 0 H LYS X 54 90.387 5.047 1.309 1.00 1.00 H new ATOM 0 HA LYS X 54 90.408 3.071 3.283 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.334 4.526 2.623 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.528 5.915 3.324 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.546 4.843 5.564 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.246 3.384 4.889 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.256 4.697 4.145 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.557 6.151 4.830 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.533 5.097 7.094 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.173 3.610 6.424 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.936 4.976 7.367 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.152 4.824 5.690 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.532 6.265 6.339 1.00 1.00 H new ATOM 908 N ARG X 55 88.875 5.861 4.170 1.00 1.00 N ATOM 909 CA ARG X 55 87.936 6.414 5.136 1.00 1.00 C ATOM 910 C ARG X 55 86.596 5.681 5.092 1.00 1.00 C ATOM 911 O ARG X 55 85.903 5.577 6.110 1.00 1.00 O ATOM 912 CB ARG X 55 87.705 7.901 4.852 1.00 1.00 C ATOM 913 CG ARG X 55 88.982 8.685 5.163 1.00 1.00 C ATOM 914 CD ARG X 55 88.758 10.172 4.874 1.00 1.00 C ATOM 915 NE ARG X 55 89.984 10.921 5.129 1.00 1.00 N ATOM 916 CZ ARG X 55 90.319 11.283 6.363 1.00 1.00 C ATOM 917 NH1 ARG X 55 89.548 10.970 7.367 1.00 1.00 N ATOM 918 NH2 ARG X 55 91.421 11.951 6.570 1.00 1.00 N ATOM 0 H ARG X 55 89.155 6.508 3.433 1.00 1.00 H new ATOM 0 HA ARG X 55 88.369 6.288 6.128 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.423 8.043 3.809 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.880 8.274 5.459 1.00 1.00 H new ATOM 0 HG2 ARG X 55 89.261 8.546 6.208 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.808 8.308 4.560 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.449 10.307 3.837 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.952 10.555 5.499 1.00 1.00 H new ATOM 0 HE ARG X 55 90.592 11.170 4.349 1.00 1.00 H new ATOM 0 HH11 ARG X 55 88.687 10.447 7.205 1.00 1.00 H new ATOM 0 HH12 ARG X 55 89.806 11.248 8.314 1.00 1.00 H new ATOM 0 HH21 ARG X 55 92.025 12.195 5.785 1.00 1.00 H new ATOM 0 HH22 ARG X 55 91.679 12.229 7.517 1.00 1.00 H new ATOM 932 N TRP X 56 86.220 5.194 3.910 1.00 1.00 N ATOM 933 CA TRP X 56 84.942 4.507 3.762 1.00 1.00 C ATOM 934 C TRP X 56 84.927 3.218 4.581 1.00 1.00 C ATOM 935 O TRP X 56 84.047 2.990 5.421 1.00 1.00 O ATOM 936 CB TRP X 56 84.699 4.202 2.275 1.00 1.00 C ATOM 937 CG TRP X 56 83.534 3.274 2.127 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.512 3.166 3.008 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.252 2.326 1.055 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.623 2.213 2.546 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.034 1.667 1.347 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.928 1.980 -0.128 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.506 0.697 0.495 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.399 1.004 -0.988 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.191 0.364 -0.678 1.00 1.00 C ATOM 0 H TRP X 56 86.773 5.261 3.055 1.00 1.00 H new ATOM 0 HA TRP X 56 84.144 5.150 4.133 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.509 5.128 1.732 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.590 3.753 1.837 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.408 3.732 3.922 1.00 1.00 H new ATOM 0 HE1 TRP X 56 80.767 1.946 3.032 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.859 2.467 -0.377 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.575 0.207 0.739 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.926 0.745 -1.894 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.790 -0.385 -1.344 1.00 1.00 H new ATOM 956 N ARG X 57 85.920 2.388 4.340 1.00 1.00 N ATOM 957 CA ARG X 57 86.045 1.129 5.047 1.00 1.00 C ATOM 958 C ARG X 57 86.440 1.367 6.494 1.00 1.00 C ATOM 959 O ARG X 57 86.131 0.576 7.367 1.00 1.00 O ATOM 960 CB ARG X 57 87.099 0.296 4.362 1.00 1.00 C ATOM 961 CG ARG X 57 86.645 0.027 2.939 1.00 1.00 C ATOM 962 CD ARG X 57 87.776 -0.655 2.206 1.00 1.00 C ATOM 963 NE ARG X 57 87.386 -0.944 0.835 1.00 1.00 N ATOM 964 CZ ARG X 57 86.743 -2.062 0.514 1.00 1.00 C ATOM 965 NH1 ARG X 57 86.459 -2.938 1.438 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.398 -2.284 -0.724 1.00 1.00 N ATOM 0 H ARG X 57 86.656 2.563 3.656 1.00 1.00 H new ATOM 0 HA ARG X 57 85.087 0.610 5.035 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.056 0.819 4.363 1.00 1.00 H new ATOM 0 HB3 ARG X 57 87.248 -0.642 4.897 1.00 1.00 H new ATOM 0 HG2 ARG X 57 85.755 -0.603 2.936 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.377 0.960 2.442 1.00 1.00 H new ATOM 0 HD2 ARG X 57 88.660 -0.017 2.213 1.00 1.00 H new ATOM 0 HD3 ARG X 57 88.045 -1.579 2.717 1.00 1.00 H new ATOM 0 HE ARG X 57 87.612 -0.272 0.102 1.00 1.00 H new ATOM 0 HH11 ARG X 57 86.730 -2.765 2.406 1.00 1.00 H new ATOM 0 HH12 ARG X 57 85.966 -3.796 1.193 1.00 1.00 H new ATOM 0 HH21 ARG X 57 86.622 -1.599 -1.446 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.905 -3.142 -0.970 1.00 1.00 H new ATOM 980 N ARG X 58 87.144 2.459 6.732 1.00 1.00 N ATOM 981 CA ARG X 58 87.590 2.783 8.088 1.00 1.00 C ATOM 982 C ARG X 58 86.395 2.789 9.036 1.00 1.00 C ATOM 983 O ARG X 58 86.441 2.194 10.111 1.00 1.00 O ATOM 984 CB ARG X 58 88.252 4.162 8.099 1.00 1.00 C ATOM 985 CG ARG X 58 88.807 4.471 9.484 1.00 1.00 C ATOM 986 CD ARG X 58 89.412 5.873 9.468 1.00 1.00 C ATOM 987 NE ARG X 58 90.144 6.113 10.711 1.00 1.00 N ATOM 988 CZ ARG X 58 89.489 6.459 11.815 1.00 1.00 C ATOM 989 NH1 ARG X 58 88.193 6.610 11.785 1.00 1.00 N ATOM 990 NH2 ARG X 58 90.142 6.649 12.929 1.00 1.00 N ATOM 0 H ARG X 58 87.420 3.133 6.018 1.00 1.00 H new ATOM 0 HA ARG X 58 88.309 2.032 8.415 1.00 1.00 H new ATOM 0 HB2 ARG X 58 89.055 4.193 7.363 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.527 4.923 7.812 1.00 1.00 H new ATOM 0 HG2 ARG X 58 88.015 4.410 10.231 1.00 1.00 H new ATOM 0 HG3 ARG X 58 89.563 3.736 9.760 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.082 5.980 8.615 1.00 1.00 H new ATOM 0 HD3 ARG X 58 88.624 6.617 9.350 1.00 1.00 H new ATOM 0 HE ARG X 58 91.159 6.015 10.731 1.00 1.00 H new ATOM 0 HH11 ARG X 58 87.682 6.463 10.914 1.00 1.00 H new ATOM 0 HH12 ARG X 58 87.691 6.875 12.632 1.00 1.00 H new ATOM 0 HH21 ARG X 58 91.155 6.532 12.953 1.00 1.00 H new ATOM 0 HH22 ARG X 58 89.639 6.914 13.776 1.00 1.00 H new ATOM 1004 N VAL X 59 85.316 3.440 8.618 1.00 1.00 N ATOM 1005 CA VAL X 59 84.099 3.483 9.429 1.00 1.00 C ATOM 1006 C VAL X 59 83.481 2.101 9.519 1.00 1.00 C ATOM 1007 O VAL X 59 83.032 1.685 10.587 1.00 1.00 O ATOM 1008 CB VAL X 59 83.091 4.460 8.821 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.736 4.287 9.506 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.577 5.896 9.025 1.00 1.00 C ATOM 0 H VAL X 59 85.255 3.942 7.732 1.00 1.00 H new ATOM 0 HA VAL X 59 84.362 3.822 10.431 1.00 1.00 H new ATOM 0 HB VAL X 59 82.993 4.256 7.755 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.018 4.983 9.073 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.383 3.266 9.362 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.839 4.489 10.572 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.857 6.589 8.591 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.678 6.098 10.091 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.544 6.025 8.539 1.00 1.00 H new ATOM 1020 N GLY X 60 83.447 1.388 8.400 1.00 1.00 N ATOM 1021 CA GLY X 60 82.864 0.060 8.401 1.00 1.00 C ATOM 1022 C GLY X 60 83.665 -0.891 9.284 1.00 1.00 C ATOM 1023 O GLY X 60 83.103 -1.562 10.125 1.00 1.00 O ATOM 0 H GLY X 60 83.809 1.702 7.500 1.00 1.00 H new ATOM 0 HA2 GLY X 60 81.835 0.112 8.757 1.00 1.00 H new ATOM 0 HA3 GLY X 60 82.830 -0.326 7.382 1.00 1.00 H new ATOM 1027 N ASP X 61 84.976 -0.939 9.089 1.00 1.00 N ATOM 1028 CA ASP X 61 85.829 -1.819 9.874 1.00 1.00 C ATOM 1029 C ASP X 61 85.603 -1.612 11.369 1.00 1.00 C ATOM 1030 O ASP X 61 85.574 -2.575 12.136 1.00 1.00 O ATOM 1031 CB ASP X 61 87.303 -1.544 9.536 1.00 1.00 C ATOM 1032 CG ASP X 61 87.722 -2.330 8.291 1.00 1.00 C ATOM 1033 OD1 ASP X 61 86.919 -3.113 7.810 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.832 -2.122 7.829 1.00 1.00 O ATOM 0 H ASP X 61 85.471 -0.379 8.395 1.00 1.00 H new ATOM 0 HA ASP X 61 85.577 -2.850 9.627 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.451 -0.477 9.367 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.934 -1.824 10.380 1.00 1.00 H new ATOM 1039 N CYS X 62 85.452 -0.359 11.785 1.00 1.00 N ATOM 1040 CA CYS X 62 85.242 -0.067 13.207 1.00 1.00 C ATOM 1041 C CYS X 62 83.897 -0.613 13.695 1.00 1.00 C ATOM 1042 O CYS X 62 83.829 -1.466 14.595 1.00 1.00 O ATOM 1043 CB CYS X 62 85.276 1.445 13.434 1.00 1.00 C ATOM 1044 SG CYS X 62 86.838 2.113 12.817 1.00 1.00 S ATOM 0 H CYS X 62 85.470 0.459 11.176 1.00 1.00 H new ATOM 0 HA CYS X 62 86.040 -0.552 13.769 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.438 1.919 12.922 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.168 1.666 14.496 1.00 1.00 H new ATOM 0 HG CYS X 62 86.759 2.284 11.531 1.00 1.00 H new ATOM 1050 N PHE X 63 82.828 -0.112 13.095 1.00 1.00 N ATOM 1051 CA PHE X 63 81.486 -0.533 13.466 1.00 1.00 C ATOM 1052 C PHE X 63 81.275 -2.010 13.140 1.00 1.00 C ATOM 1053 O PHE X 63 80.491 -2.690 13.798 1.00 1.00 O ATOM 1054 CB PHE X 63 80.456 0.361 12.767 1.00 1.00 C ATOM 1055 CG PHE X 63 80.710 1.846 13.077 1.00 1.00 C ATOM 1056 CD1 PHE X 63 81.560 2.239 14.117 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.071 2.811 12.291 1.00 1.00 C ATOM 1058 CE1 PHE X 63 81.772 3.600 14.370 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.284 4.172 12.543 1.00 1.00 C ATOM 1060 CZ PHE X 63 81.135 4.566 13.583 1.00 1.00 C ATOM 0 H PHE X 63 82.863 0.585 12.351 1.00 1.00 H new ATOM 0 HA PHE X 63 81.355 -0.423 14.543 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.500 0.198 11.690 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.452 0.085 13.090 1.00 1.00 H new ATOM 0 HD1 PHE X 63 82.052 1.493 14.724 1.00 1.00 H new ATOM 0 HD2 PHE X 63 79.414 2.506 11.490 1.00 1.00 H new ATOM 0 HE1 PHE X 63 82.427 3.904 15.173 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.792 4.917 11.936 1.00 1.00 H new ATOM 0 HZ PHE X 63 81.300 5.615 13.778 1.00 1.00 H new ATOM 1070 N GLN X 64 82.003 -2.503 12.145 1.00 1.00 N ATOM 1071 CA GLN X 64 81.925 -3.907 11.755 1.00 1.00 C ATOM 1072 C GLN X 64 82.420 -4.780 12.898 1.00 1.00 C ATOM 1073 O GLN X 64 81.880 -5.854 13.146 1.00 1.00 O ATOM 1074 CB GLN X 64 82.785 -4.157 10.510 1.00 1.00 C ATOM 1075 CG GLN X 64 82.819 -5.645 10.169 1.00 1.00 C ATOM 1076 CD GLN X 64 83.700 -5.867 8.948 1.00 1.00 C ATOM 1077 OE1 GLN X 64 84.917 -5.698 9.030 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.168 -6.273 7.828 1.00 1.00 N ATOM 0 H GLN X 64 82.657 -1.949 11.591 1.00 1.00 H new ATOM 0 HA GLN X 64 80.889 -4.155 11.527 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.385 -3.594 9.666 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.798 -3.795 10.683 1.00 1.00 H new ATOM 0 HG2 GLN X 64 83.203 -6.214 11.016 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.810 -6.007 9.973 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.160 -6.412 7.763 1.00 1.00 H new ATOM 0 HE22 GLN X 64 83.761 -6.451 7.017 1.00 1.00 H new ATOM 1087 N ASP X 65 83.463 -4.324 13.583 1.00 1.00 N ATOM 1088 CA ASP X 65 84.009 -5.098 14.687 1.00 1.00 C ATOM 1089 C ASP X 65 82.931 -5.315 15.739 1.00 1.00 C ATOM 1090 O ASP X 65 82.705 -6.438 16.186 1.00 1.00 O ATOM 1091 CB ASP X 65 85.198 -4.365 15.312 1.00 1.00 C ATOM 1092 CG ASP X 65 85.790 -5.195 16.447 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.233 -6.239 16.748 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.794 -4.775 16.997 1.00 1.00 O ATOM 0 H ASP X 65 83.938 -3.441 13.398 1.00 1.00 H new ATOM 0 HA ASP X 65 84.349 -6.062 14.309 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.958 -4.177 14.554 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.878 -3.394 15.690 1.00 1.00 H new ATOM 1099 N TYR X 66 82.252 -4.237 16.125 1.00 1.00 N ATOM 1100 CA TYR X 66 81.184 -4.351 17.123 1.00 1.00 C ATOM 1101 C TYR X 66 79.974 -5.099 16.563 1.00 1.00 C ATOM 1102 O TYR X 66 79.397 -5.951 17.233 1.00 1.00 O ATOM 1103 CB TYR X 66 80.761 -2.962 17.599 1.00 1.00 C ATOM 1104 CG TYR X 66 81.886 -2.339 18.389 1.00 1.00 C ATOM 1105 CD1 TYR X 66 81.976 -2.558 19.769 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.838 -1.541 17.744 1.00 1.00 C ATOM 1107 CE1 TYR X 66 83.017 -1.978 20.504 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.879 -0.961 18.479 1.00 1.00 C ATOM 1109 CZ TYR X 66 83.969 -1.180 19.859 1.00 1.00 C ATOM 1110 OH TYR X 66 84.997 -0.610 20.582 1.00 1.00 O ATOM 0 H TYR X 66 82.414 -3.293 15.773 1.00 1.00 H new ATOM 0 HA TYR X 66 81.574 -4.921 17.966 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.510 -2.333 16.745 1.00 1.00 H new ATOM 0 HB3 TYR X 66 79.865 -3.034 18.216 1.00 1.00 H new ATOM 0 HD1 TYR X 66 81.242 -3.175 20.267 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.770 -1.373 16.679 1.00 1.00 H new ATOM 0 HE1 TYR X 66 83.085 -2.146 21.569 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.613 -0.344 17.981 1.00 1.00 H new ATOM 0 HH TYR X 66 85.569 -0.088 19.981 1.00 1.00 H new ATOM 1120 N TYR X 67 79.598 -4.780 15.331 1.00 1.00 N ATOM 1121 CA TYR X 67 78.458 -5.432 14.692 1.00 1.00 C ATOM 1122 C TYR X 67 78.704 -6.930 14.546 1.00 1.00 C ATOM 1123 O TYR X 67 77.796 -7.738 14.730 1.00 1.00 O ATOM 1124 CB TYR X 67 78.216 -4.808 13.318 1.00 1.00 C ATOM 1125 CG TYR X 67 77.207 -3.690 13.436 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.246 -2.813 14.525 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.222 -3.540 12.451 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.301 -1.786 14.631 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.276 -2.513 12.558 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.316 -1.635 13.648 1.00 1.00 C ATOM 1131 OH TYR X 67 74.384 -0.624 13.753 1.00 1.00 O ATOM 0 H TYR X 67 80.062 -4.077 14.755 1.00 1.00 H new ATOM 0 HA TYR X 67 77.577 -5.289 15.318 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.152 -4.424 12.912 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.854 -5.565 12.623 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.005 -2.928 15.284 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.192 -4.216 11.609 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.332 -1.109 15.472 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.516 -2.398 11.800 1.00 1.00 H new ATOM 0 HH TYR X 67 73.774 -0.661 12.987 1.00 1.00 H new ATOM 1141 N ASN X 68 79.934 -7.296 14.212 1.00 1.00 N ATOM 1142 CA ASN X 68 80.283 -8.697 14.046 1.00 1.00 C ATOM 1143 C ASN X 68 80.113 -9.447 15.361 1.00 1.00 C ATOM 1144 O ASN X 68 79.588 -10.559 15.388 1.00 1.00 O ATOM 1145 CB ASN X 68 81.733 -8.810 13.572 1.00 1.00 C ATOM 1146 CG ASN X 68 81.828 -8.510 12.079 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.760 -8.146 11.424 1.00 1.00 O flip ATOM 1148 ND2 ASN X 68 82.908 -8.606 11.497 1.00 1.00 N flip ATOM 0 H ASN X 68 80.702 -6.645 14.052 1.00 1.00 H new ATOM 0 HA ASN X 68 79.620 -9.140 13.303 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.360 -8.115 14.130 1.00 1.00 H new ATOM 0 HB3 ASN X 68 82.111 -9.812 13.773 1.00 1.00 H new ATOM 0 HD21 ASN X 68 83.741 -8.891 12.012 1.00 1.00 H new ATOM 0 HD22 ASN X 68 82.970 -8.401 10.500 1.00 1.00 H new ATOM 1155 N THR X 69 80.553 -8.827 16.454 1.00 1.00 N ATOM 1156 CA THR X 69 80.429 -9.448 17.767 1.00 1.00 C ATOM 1157 C THR X 69 78.967 -9.496 18.193 1.00 1.00 C ATOM 1158 O THR X 69 78.499 -10.496 18.734 1.00 1.00 O ATOM 1159 CB THR X 69 81.240 -8.660 18.797 1.00 1.00 C ATOM 1160 OG1 THR X 69 80.932 -7.278 18.685 1.00 1.00 O ATOM 1161 CG2 THR X 69 82.732 -8.878 18.541 1.00 1.00 C ATOM 0 H THR X 69 80.993 -7.907 16.456 1.00 1.00 H new ATOM 0 HA THR X 69 80.814 -10.466 17.708 1.00 1.00 H new ATOM 0 HB THR X 69 80.991 -9.004 19.801 1.00 1.00 H new ATOM 0 HG1 THR X 69 80.338 -7.136 17.918 1.00 1.00 H new ATOM 0 HG21 THR X 69 83.313 -8.317 19.274 1.00 1.00 H new ATOM 0 HG22 THR X 69 82.965 -9.939 18.628 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.983 -8.533 17.538 1.00 1.00 H new ATOM 1169 N PHE X 70 78.250 -8.406 17.938 1.00 1.00 N ATOM 1170 CA PHE X 70 76.835 -8.334 18.297 1.00 1.00 C ATOM 1171 C PHE X 70 76.025 -9.394 17.548 1.00 1.00 C ATOM 1172 O PHE X 70 75.123 -10.010 18.116 1.00 1.00 O ATOM 1173 CB PHE X 70 76.277 -6.941 17.977 1.00 1.00 C ATOM 1174 CG PHE X 70 76.474 -6.028 19.161 1.00 1.00 C ATOM 1175 CD1 PHE X 70 77.743 -5.918 19.744 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.402 -5.289 19.675 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.940 -5.067 20.838 1.00 1.00 C ATOM 1178 CE2 PHE X 70 75.598 -4.440 20.770 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.867 -4.328 21.351 1.00 1.00 C ATOM 0 H PHE X 70 78.619 -7.568 17.489 1.00 1.00 H new ATOM 0 HA PHE X 70 76.750 -8.522 19.367 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.780 -6.530 17.102 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.217 -7.011 17.732 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.570 -6.490 19.349 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.423 -5.374 19.226 1.00 1.00 H new ATOM 0 HE1 PHE X 70 78.919 -4.981 21.286 1.00 1.00 H new ATOM 0 HE2 PHE X 70 74.770 -3.871 21.167 1.00 1.00 H new ATOM 0 HZ PHE X 70 77.018 -3.671 22.195 1.00 1.00 H new ATOM 1189 N GLY X 71 76.339 -9.587 16.269 1.00 1.00 N ATOM 1190 CA GLY X 71 75.621 -10.553 15.449 1.00 1.00 C ATOM 1191 C GLY X 71 75.475 -10.048 14.012 1.00 1.00 C ATOM 1192 O GLY X 71 75.733 -10.786 13.060 1.00 1.00 O ATOM 0 H GLY X 71 77.083 -9.088 15.782 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.152 -11.505 15.452 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.635 -10.737 15.876 1.00 1.00 H new ATOM 1196 N PRO X 72 75.069 -8.810 13.837 1.00 1.00 N ATOM 1197 CA PRO X 72 74.893 -8.206 12.480 1.00 1.00 C ATOM 1198 C PRO X 72 76.108 -8.428 11.579 1.00 1.00 C ATOM 1199 O PRO X 72 77.106 -7.712 11.667 1.00 1.00 O ATOM 1200 CB PRO X 72 74.688 -6.717 12.766 1.00 1.00 C ATOM 1201 CG PRO X 72 74.207 -6.627 14.176 1.00 1.00 C ATOM 1202 CD PRO X 72 74.728 -7.857 14.908 1.00 1.00 C ATOM 0 HA PRO X 72 74.061 -8.659 11.941 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.618 -6.164 12.636 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.961 -6.285 12.078 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.570 -5.715 14.649 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.118 -6.592 14.210 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.599 -7.616 15.517 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.974 -8.268 15.579 1.00 1.00 H new ATOM 1210 N GLU X 73 76.000 -9.429 10.709 1.00 1.00 N ATOM 1211 CA GLU X 73 77.072 -9.759 9.778 1.00 1.00 C ATOM 1212 C GLU X 73 76.898 -9.020 8.451 1.00 1.00 C ATOM 1213 O GLU X 73 77.666 -9.241 7.515 1.00 1.00 O ATOM 1214 CB GLU X 73 77.103 -11.272 9.539 1.00 1.00 C ATOM 1215 CG GLU X 73 75.805 -11.717 8.858 1.00 1.00 C ATOM 1216 CD GLU X 73 75.811 -13.230 8.663 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.850 -13.832 8.878 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.773 -13.765 8.308 1.00 1.00 O ATOM 0 H GLU X 73 75.177 -10.027 10.631 1.00 1.00 H new ATOM 0 HA GLU X 73 78.018 -9.442 10.218 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.959 -11.534 8.917 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.226 -11.797 10.487 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.948 -11.423 9.464 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.700 -11.218 7.894 1.00 1.00 H new ATOM 1225 N LYS X 74 75.872 -8.166 8.376 1.00 1.00 N ATOM 1226 CA LYS X 74 75.582 -7.407 7.155 1.00 1.00 C ATOM 1227 C LYS X 74 76.861 -7.086 6.397 1.00 1.00 C ATOM 1228 O LYS X 74 76.912 -7.215 5.173 1.00 1.00 O ATOM 1229 CB LYS X 74 74.848 -6.109 7.509 1.00 1.00 C ATOM 1230 CG LYS X 74 74.639 -5.268 6.245 1.00 1.00 C ATOM 1231 CD LYS X 74 73.834 -4.019 6.583 1.00 1.00 C ATOM 1232 CE LYS X 74 73.749 -3.139 5.338 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.972 -1.907 5.650 1.00 1.00 N ATOM 0 H LYS X 74 75.229 -7.983 9.146 1.00 1.00 H new ATOM 0 HA LYS X 74 74.948 -8.020 6.514 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.886 -6.338 7.967 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.424 -5.543 8.242 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.603 -4.987 5.821 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.117 -5.855 5.489 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.835 -4.294 6.921 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.308 -3.474 7.399 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.750 -2.874 4.999 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.272 -3.686 4.525 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.915 -1.308 4.801 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.013 -2.169 5.954 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.445 -1.382 6.413 1.00 1.00 H new ATOM 1247 N VAL X 75 77.883 -6.667 7.129 1.00 1.00 N ATOM 1248 CA VAL X 75 79.162 -6.338 6.528 1.00 1.00 C ATOM 1249 C VAL X 75 80.243 -7.291 7.059 1.00 1.00 C ATOM 1250 O VAL X 75 80.906 -6.986 8.048 1.00 1.00 O ATOM 1251 CB VAL X 75 79.534 -4.891 6.863 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.744 -3.919 5.977 1.00 1.00 C ATOM 1253 CG2 VAL X 75 79.216 -4.605 8.329 1.00 1.00 C ATOM 0 H VAL X 75 77.849 -6.548 8.141 1.00 1.00 H new ATOM 0 HA VAL X 75 79.090 -6.446 5.446 1.00 1.00 H new ATOM 0 HB VAL X 75 80.600 -4.754 6.682 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.019 -2.894 6.226 1.00 1.00 H new ATOM 0 HG12 VAL X 75 78.975 -4.112 4.929 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.676 -4.059 6.145 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.482 -3.574 8.565 1.00 1.00 H new ATOM 0 HG22 VAL X 75 78.151 -4.755 8.506 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.788 -5.281 8.964 1.00 1.00 H new ATOM 1263 N PRO X 76 80.421 -8.436 6.437 1.00 1.00 N ATOM 1264 CA PRO X 76 81.441 -9.446 6.870 1.00 1.00 C ATOM 1265 C PRO X 76 82.859 -8.881 6.892 1.00 1.00 C ATOM 1266 O PRO X 76 83.205 -8.013 6.092 1.00 1.00 O ATOM 1267 CB PRO X 76 81.328 -10.563 5.826 1.00 1.00 C ATOM 1268 CG PRO X 76 79.985 -10.391 5.200 1.00 1.00 C ATOM 1269 CD PRO X 76 79.667 -8.904 5.265 1.00 1.00 C ATOM 0 HA PRO X 76 81.254 -9.782 7.890 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.120 -10.486 5.082 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.421 -11.545 6.290 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.990 -10.742 4.168 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.232 -10.973 5.731 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.978 -8.388 4.357 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.598 -8.728 5.381 1.00 1.00 H new ATOM 1277 N VAL X 77 83.672 -9.385 7.818 1.00 1.00 N ATOM 1278 CA VAL X 77 85.054 -8.933 7.949 1.00 1.00 C ATOM 1279 C VAL X 77 85.842 -9.211 6.677 1.00 1.00 C ATOM 1280 O VAL X 77 86.811 -8.516 6.370 1.00 1.00 O ATOM 1281 CB VAL X 77 85.724 -9.635 9.130 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.770 -11.142 8.873 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.149 -9.102 9.293 1.00 1.00 C ATOM 0 H VAL X 77 83.398 -10.105 8.487 1.00 1.00 H new ATOM 0 HA VAL X 77 85.043 -7.857 8.122 1.00 1.00 H new ATOM 0 HB VAL X 77 85.154 -9.441 10.039 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.248 -11.640 9.716 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.755 -11.522 8.755 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.339 -11.339 7.965 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.630 -9.601 10.135 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.717 -9.297 8.383 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.117 -8.028 9.478 1.00 1.00 H new ATOM 1293 N THR X 78 85.427 -10.232 5.941 1.00 1.00 N ATOM 1294 CA THR X 78 86.110 -10.591 4.707 1.00 1.00 C ATOM 1295 C THR X 78 86.317 -9.358 3.830 1.00 1.00 C ATOM 1296 O THR X 78 87.113 -9.382 2.892 1.00 1.00 O ATOM 1297 CB THR X 78 85.287 -11.634 3.947 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.171 -10.999 3.340 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.795 -12.707 4.919 1.00 1.00 C ATOM 0 H THR X 78 84.628 -10.822 6.174 1.00 1.00 H new ATOM 0 HA THR X 78 87.086 -11.008 4.957 1.00 1.00 H new ATOM 0 HB THR X 78 85.907 -12.098 3.180 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.643 -11.664 2.851 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.209 -13.449 4.376 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.651 -13.193 5.388 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.174 -12.245 5.687 1.00 1.00 H new ATOM 1307 N ALA X 79 85.597 -8.283 4.141 1.00 1.00 N ATOM 1308 CA ALA X 79 85.712 -7.047 3.374 1.00 1.00 C ATOM 1309 C ALA X 79 87.128 -6.483 3.474 1.00 1.00 C ATOM 1310 O ALA X 79 87.666 -5.951 2.504 1.00 1.00 O ATOM 1311 CB ALA X 79 84.706 -6.014 3.891 1.00 1.00 C ATOM 0 H ALA X 79 84.932 -8.243 4.914 1.00 1.00 H new ATOM 0 HA ALA X 79 85.496 -7.268 2.329 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.799 -5.095 3.313 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.695 -6.407 3.787 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.908 -5.804 4.941 1.00 1.00 H new ATOM 1317 N PHE X 80 87.721 -6.605 4.653 1.00 1.00 N ATOM 1318 CA PHE X 80 89.073 -6.106 4.881 1.00 1.00 C ATOM 1319 C PHE X 80 90.089 -6.807 3.970 1.00 1.00 C ATOM 1320 O PHE X 80 90.981 -6.177 3.410 1.00 1.00 O ATOM 1321 CB PHE X 80 89.451 -6.304 6.348 1.00 1.00 C ATOM 1322 CG PHE X 80 90.871 -5.846 6.557 1.00 1.00 C ATOM 1323 CD1 PHE X 80 91.941 -6.679 6.207 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.119 -4.581 7.103 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.258 -6.246 6.404 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.435 -4.147 7.298 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.505 -4.980 6.949 1.00 1.00 C ATOM 0 H PHE X 80 87.290 -7.044 5.466 1.00 1.00 H new ATOM 0 HA PHE X 80 89.092 -5.043 4.640 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.775 -5.739 6.990 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.350 -7.354 6.624 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.750 -7.655 5.785 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.294 -3.939 7.374 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.083 -6.889 6.136 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.625 -3.170 7.717 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.521 -4.646 7.100 1.00 1.00 H new ATOM 1337 N SER X 81 89.962 -8.115 3.837 1.00 1.00 N ATOM 1338 CA SER X 81 90.886 -8.877 2.991 1.00 1.00 C ATOM 1339 C SER X 81 90.810 -8.393 1.535 1.00 1.00 C ATOM 1340 O SER X 81 91.828 -8.049 0.896 1.00 1.00 O ATOM 1341 CB SER X 81 90.514 -10.357 3.053 1.00 1.00 C ATOM 1342 OG SER X 81 91.623 -11.138 2.633 1.00 1.00 O ATOM 0 H SER X 81 89.241 -8.673 4.294 1.00 1.00 H new ATOM 0 HA SER X 81 91.903 -8.729 3.355 1.00 1.00 H new ATOM 0 HB2 SER X 81 90.227 -10.629 4.069 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.653 -10.554 2.414 1.00 1.00 H new ATOM 0 HG SER X 81 91.388 -12.088 2.673 1.00 1.00 H new ATOM 1348 N TYR X 82 89.594 -8.349 1.013 1.00 1.00 N ATOM 1349 CA TYR X 82 89.393 -7.900 -0.351 1.00 1.00 C ATOM 1350 C TYR X 82 89.878 -6.463 -0.488 1.00 1.00 C ATOM 1351 O TYR X 82 90.375 -6.059 -1.541 1.00 1.00 O ATOM 1352 CB TYR X 82 87.913 -8.006 -0.734 1.00 1.00 C ATOM 1353 CG TYR X 82 87.449 -9.446 -0.601 1.00 1.00 C ATOM 1354 CD1 TYR X 82 88.047 -10.448 -1.374 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.422 -9.769 0.292 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.617 -11.775 -1.253 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.992 -11.095 0.414 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.590 -12.098 -0.360 1.00 1.00 C ATOM 1359 OH TYR X 82 86.166 -13.406 -0.240 1.00 1.00 O ATOM 0 H TYR X 82 88.743 -8.616 1.508 1.00 1.00 H new ATOM 0 HA TYR X 82 89.965 -8.535 -1.027 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.314 -7.361 -0.091 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.767 -7.660 -1.757 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.840 -10.198 -2.063 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.961 -8.995 0.887 1.00 1.00 H new ATOM 0 HE1 TYR X 82 88.078 -12.549 -1.849 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.200 -11.345 1.104 1.00 1.00 H new ATOM 0 HH TYR X 82 85.611 -13.642 -1.012 1.00 1.00 H new ATOM 1369 N TRP X 83 89.751 -5.696 0.591 1.00 1.00 N ATOM 1370 CA TRP X 83 90.199 -4.316 0.574 1.00 1.00 C ATOM 1371 C TRP X 83 91.693 -4.248 0.279 1.00 1.00 C ATOM 1372 O TRP X 83 92.159 -3.323 -0.385 1.00 1.00 O ATOM 1373 CB TRP X 83 89.895 -3.627 1.903 1.00 1.00 C ATOM 1374 CG TRP X 83 90.420 -2.230 1.877 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.384 -1.401 0.808 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.049 -1.479 2.957 1.00 1.00 C ATOM 1377 NE1 TRP X 83 90.949 -0.189 1.164 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.374 -0.188 2.477 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.364 -1.788 4.292 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 91.990 0.762 3.292 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 91.985 -0.835 5.116 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.297 0.437 4.617 1.00 1.00 C ATOM 0 H TRP X 83 89.347 -6.005 1.475 1.00 1.00 H new ATOM 0 HA TRP X 83 89.658 -3.794 -0.215 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.820 -3.618 2.082 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.350 -4.182 2.724 1.00 1.00 H new ATOM 0 HD1 TRP X 83 89.981 -1.645 -0.164 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.040 0.607 0.533 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.127 -2.765 4.687 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.228 1.741 2.903 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.223 -1.084 6.140 1.00 1.00 H new ATOM 0 HH2 TRP X 83 92.774 1.166 5.255 1.00 1.00 H new ATOM 1393 N ASN X 84 92.442 -5.231 0.773 1.00 1.00 N ATOM 1394 CA ASN X 84 93.880 -5.251 0.537 1.00 1.00 C ATOM 1395 C ASN X 84 94.137 -5.218 -0.960 1.00 1.00 C ATOM 1396 O ASN X 84 95.019 -4.496 -1.439 1.00 1.00 O ATOM 1397 CB ASN X 84 94.499 -6.522 1.107 1.00 1.00 C ATOM 1398 CG ASN X 84 95.978 -6.302 1.399 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.681 -5.650 0.626 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.499 -6.823 2.475 1.00 1.00 N ATOM 0 H ASN X 84 92.085 -6.009 1.328 1.00 1.00 H new ATOM 0 HA ASN X 84 94.327 -4.385 1.025 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.979 -6.810 2.021 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.379 -7.343 0.400 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.490 -6.691 2.677 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.916 -7.363 3.114 1.00 1.00 H new ATOM 1407 N LEU X 85 93.353 -5.987 -1.711 1.00 1.00 N ATOM 1408 CA LEU X 85 93.533 -5.994 -3.158 1.00 1.00 C ATOM 1409 C LEU X 85 93.291 -4.596 -3.727 1.00 1.00 C ATOM 1410 O LEU X 85 94.021 -4.151 -4.612 1.00 1.00 O ATOM 1411 CB LEU X 85 92.582 -6.991 -3.824 1.00 1.00 C ATOM 1412 CG LEU X 85 93.178 -8.405 -3.784 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.430 -8.491 -4.669 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.559 -8.752 -2.347 1.00 1.00 C ATOM 0 H LEU X 85 92.612 -6.593 -1.358 1.00 1.00 H new ATOM 0 HA LEU X 85 94.558 -6.298 -3.368 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.618 -6.981 -3.314 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.399 -6.695 -4.857 1.00 1.00 H new ATOM 0 HG LEU X 85 92.433 -9.108 -4.157 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.837 -9.501 -4.627 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.165 -8.249 -5.698 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.178 -7.783 -4.311 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.983 -9.756 -2.315 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.295 -8.036 -1.983 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.671 -8.713 -1.716 1.00 1.00 H new ATOM 1426 N ILE X 86 92.275 -3.902 -3.214 1.00 1.00 N ATOM 1427 CA ILE X 86 91.973 -2.556 -3.689 1.00 1.00 C ATOM 1428 C ILE X 86 93.127 -1.598 -3.397 1.00 1.00 C ATOM 1429 O ILE X 86 93.508 -0.806 -4.258 1.00 1.00 O ATOM 1430 CB ILE X 86 90.720 -2.056 -3.008 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.515 -2.857 -3.490 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.511 -0.579 -3.331 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.329 -2.573 -2.572 1.00 1.00 C ATOM 0 H ILE X 86 91.656 -4.245 -2.480 1.00 1.00 H new ATOM 0 HA ILE X 86 91.825 -2.595 -4.768 1.00 1.00 H new ATOM 0 HB ILE X 86 90.828 -2.179 -1.930 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.269 -2.586 -4.517 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.746 -3.922 -3.488 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.606 -0.223 -2.838 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.367 -0.005 -2.977 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.410 -0.453 -4.409 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.463 -3.142 -2.910 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.580 -2.865 -1.552 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.096 -1.508 -2.597 1.00 1.00 H new ATOM 1445 N LYS X 87 93.690 -1.671 -2.188 1.00 1.00 N ATOM 1446 CA LYS X 87 94.799 -0.791 -1.840 1.00 1.00 C ATOM 1447 C LYS X 87 95.827 -0.775 -2.954 1.00 1.00 C ATOM 1448 O LYS X 87 96.264 0.287 -3.395 1.00 1.00 O ATOM 1449 CB LYS X 87 95.486 -1.279 -0.564 1.00 1.00 C ATOM 1450 CG LYS X 87 94.686 -0.841 0.651 1.00 1.00 C ATOM 1451 CD LYS X 87 95.405 -1.290 1.925 1.00 1.00 C ATOM 1452 CE LYS X 87 94.632 -0.794 3.144 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.359 -1.173 4.387 1.00 1.00 N ATOM 0 H LYS X 87 93.402 -2.316 -1.452 1.00 1.00 H new ATOM 0 HA LYS X 87 94.396 0.210 -1.687 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.574 -2.365 -0.580 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.498 -0.878 -0.509 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.568 0.243 0.650 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.685 -1.271 0.615 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.483 -2.377 1.948 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.421 -0.897 1.940 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.514 0.289 3.096 1.00 1.00 H new ATOM 0 HE3 LYS X 87 93.630 -1.224 3.151 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 94.687 -1.232 5.178 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.817 -2.097 4.253 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 96.081 -0.456 4.599 1.00 1.00 H new ATOM 1467 N GLU X 88 96.208 -1.953 -3.405 1.00 1.00 N ATOM 1468 CA GLU X 88 97.192 -2.049 -4.476 1.00 1.00 C ATOM 1469 C GLU X 88 96.636 -1.488 -5.788 1.00 1.00 C ATOM 1470 O GLU X 88 97.375 -0.899 -6.575 1.00 1.00 O ATOM 1471 CB GLU X 88 97.621 -3.504 -4.674 1.00 1.00 C ATOM 1472 CG GLU X 88 98.992 -3.727 -4.028 1.00 1.00 C ATOM 1473 CD GLU X 88 99.377 -5.199 -4.133 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.567 -5.966 -4.626 1.00 1.00 O ATOM 1475 OE2 GLU X 88 100.470 -5.540 -3.709 1.00 1.00 O ATOM 0 H GLU X 88 95.861 -2.847 -3.057 1.00 1.00 H new ATOM 0 HA GLU X 88 98.059 -1.455 -4.188 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.885 -4.174 -4.230 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.666 -3.739 -5.737 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.742 -3.109 -4.522 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.966 -3.422 -2.982 1.00 1.00 H new ATOM 1482 N LEU X 89 95.342 -1.682 -6.026 1.00 1.00 N ATOM 1483 CA LEU X 89 94.729 -1.196 -7.264 1.00 1.00 C ATOM 1484 C LEU X 89 94.785 0.326 -7.362 1.00 1.00 C ATOM 1485 O LEU X 89 95.190 0.873 -8.386 1.00 1.00 O ATOM 1486 CB LEU X 89 93.265 -1.654 -7.320 1.00 1.00 C ATOM 1487 CG LEU X 89 92.576 -1.122 -8.586 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.325 -1.595 -9.837 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.139 -1.646 -8.630 1.00 1.00 C ATOM 0 H LEU X 89 94.705 -2.163 -5.392 1.00 1.00 H new ATOM 0 HA LEU X 89 95.290 -1.609 -8.102 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.219 -2.743 -7.306 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.734 -1.301 -6.436 1.00 1.00 H new ATOM 0 HG LEU X 89 92.578 -0.032 -8.563 1.00 1.00 H new ATOM 0 HD11 LEU X 89 92.826 -1.211 -10.727 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.350 -1.226 -9.808 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.332 -2.685 -9.867 1.00 1.00 H new ATOM 0 HD21 LEU X 89 90.643 -1.273 -9.526 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.150 -2.736 -8.648 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.600 -1.303 -7.747 1.00 1.00 H new ATOM 1501 N ILE X 90 94.367 1.004 -6.300 1.00 1.00 N ATOM 1502 CA ILE X 90 94.361 2.463 -6.285 1.00 1.00 C ATOM 1503 C ILE X 90 95.781 3.007 -6.258 1.00 1.00 C ATOM 1504 O ILE X 90 96.098 3.984 -6.934 1.00 1.00 O ATOM 1505 CB ILE X 90 93.578 2.968 -5.072 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.185 2.348 -5.089 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.434 4.490 -5.148 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.505 2.566 -3.740 1.00 1.00 C ATOM 0 H ILE X 90 94.029 0.570 -5.441 1.00 1.00 H new ATOM 0 HA ILE X 90 93.877 2.818 -7.195 1.00 1.00 H new ATOM 0 HB ILE X 90 94.108 2.693 -4.160 1.00 1.00 H new ATOM 0 HG12 ILE X 90 91.588 2.795 -5.884 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.254 1.282 -5.303 1.00 1.00 H new ATOM 0 HG21 ILE X 90 92.876 4.846 -4.282 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.423 4.949 -5.156 1.00 1.00 H new ATOM 0 HG23 ILE X 90 92.901 4.760 -6.060 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.510 2.121 -3.758 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.098 2.098 -2.954 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.421 3.635 -3.543 1.00 1.00 H new ATOM 1520 N ASP X 91 96.625 2.374 -5.457 1.00 1.00 N ATOM 1521 CA ASP X 91 98.013 2.807 -5.321 1.00 1.00 C ATOM 1522 C ASP X 91 98.711 2.799 -6.679 1.00 1.00 C ATOM 1523 O ASP X 91 99.420 3.744 -7.024 1.00 1.00 O ATOM 1524 CB ASP X 91 98.749 1.866 -4.365 1.00 1.00 C ATOM 1525 CG ASP X 91 98.448 2.231 -2.911 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.801 3.242 -2.689 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.845 1.471 -2.043 1.00 1.00 O ATOM 0 H ASP X 91 96.377 1.562 -4.892 1.00 1.00 H new ATOM 0 HA ASP X 91 98.027 3.822 -4.925 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.448 0.836 -4.557 1.00 1.00 H new ATOM 0 HB3 ASP X 91 99.823 1.923 -4.545 1.00 1.00 H new ATOM 1532 N LYS X 92 98.499 1.740 -7.453 1.00 1.00 N ATOM 1533 CA LYS X 92 99.106 1.649 -8.774 1.00 1.00 C ATOM 1534 C LYS X 92 98.615 2.789 -9.660 1.00 1.00 C ATOM 1535 O LYS X 92 99.388 3.380 -10.413 1.00 1.00 O ATOM 1536 CB LYS X 92 98.761 0.308 -9.421 1.00 1.00 C ATOM 1537 CG LYS X 92 99.585 -0.802 -8.769 1.00 1.00 C ATOM 1538 CD LYS X 92 99.175 -2.154 -9.355 1.00 1.00 C ATOM 1539 CE LYS X 92 99.934 -3.272 -8.638 1.00 1.00 C ATOM 1540 NZ LYS X 92 101.386 -3.166 -8.956 1.00 1.00 N ATOM 0 H LYS X 92 97.919 0.943 -7.192 1.00 1.00 H new ATOM 0 HA LYS X 92 100.188 1.725 -8.665 1.00 1.00 H new ATOM 0 HB2 LYS X 92 97.697 0.100 -9.306 1.00 1.00 H new ATOM 0 HB3 LYS X 92 98.965 0.346 -10.491 1.00 1.00 H new ATOM 0 HG2 LYS X 92 100.648 -0.628 -8.938 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.429 -0.799 -7.690 1.00 1.00 H new ATOM 0 HD2 LYS X 92 98.101 -2.300 -9.244 1.00 1.00 H new ATOM 0 HD3 LYS X 92 99.391 -2.180 -10.423 1.00 1.00 H new ATOM 0 HE2 LYS X 92 99.780 -3.199 -7.561 1.00 1.00 H new ATOM 0 HE3 LYS X 92 99.552 -4.244 -8.950 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 101.862 -4.056 -8.705 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 101.506 -2.983 -9.973 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 101.804 -2.385 -8.412 1.00 1.00 H new ATOM 1554 N LYS X 93 97.325 3.093 -9.562 1.00 1.00 N ATOM 1555 CA LYS X 93 96.745 4.175 -10.364 1.00 1.00 C ATOM 1556 C LYS X 93 97.390 5.509 -10.013 1.00 1.00 C ATOM 1557 O LYS X 93 97.688 6.315 -10.895 1.00 1.00 O ATOM 1558 CB LYS X 93 95.228 4.272 -10.141 1.00 1.00 C ATOM 1559 CG LYS X 93 94.545 3.039 -10.739 1.00 1.00 C ATOM 1560 CD LYS X 93 93.053 3.041 -10.382 1.00 1.00 C ATOM 1561 CE LYS X 93 92.305 4.085 -11.218 1.00 1.00 C ATOM 1562 NZ LYS X 93 90.838 3.875 -11.071 1.00 1.00 N ATOM 0 H LYS X 93 96.666 2.616 -8.946 1.00 1.00 H new ATOM 0 HA LYS X 93 96.936 3.946 -11.412 1.00 1.00 H new ATOM 0 HB2 LYS X 93 95.010 4.341 -9.075 1.00 1.00 H new ATOM 0 HB3 LYS X 93 94.838 5.178 -10.605 1.00 1.00 H new ATOM 0 HG2 LYS X 93 94.668 3.034 -11.822 1.00 1.00 H new ATOM 0 HG3 LYS X 93 95.017 2.132 -10.360 1.00 1.00 H new ATOM 0 HD2 LYS X 93 92.629 2.053 -10.559 1.00 1.00 H new ATOM 0 HD3 LYS X 93 92.927 3.257 -9.321 1.00 1.00 H new ATOM 0 HE2 LYS X 93 92.575 5.090 -10.892 1.00 1.00 H new ATOM 0 HE3 LYS X 93 92.593 4.002 -12.266 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 90.328 4.582 -11.637 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 90.589 2.921 -11.402 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 90.572 3.975 -10.071 1.00 1.00 H new ATOM 1576 N GLU X 94 97.611 5.733 -8.725 1.00 1.00 N ATOM 1577 CA GLU X 94 98.229 6.973 -8.272 1.00 1.00 C ATOM 1578 C GLU X 94 99.595 7.161 -8.923 1.00 1.00 C ATOM 1579 O GLU X 94 100.253 8.181 -8.715 1.00 1.00 O ATOM 1580 CB GLU X 94 98.388 6.952 -6.752 1.00 1.00 C ATOM 1581 CG GLU X 94 97.013 7.028 -6.083 1.00 1.00 C ATOM 1582 CD GLU X 94 96.396 8.402 -6.316 1.00 1.00 C ATOM 1583 OE1 GLU X 94 97.148 9.327 -6.576 1.00 1.00 O ATOM 1584 OE2 GLU X 94 95.185 8.514 -6.217 1.00 1.00 O ATOM 0 H GLU X 94 97.374 5.078 -7.980 1.00 1.00 H new ATOM 0 HA GLU X 94 97.584 7.803 -8.560 1.00 1.00 H new ATOM 0 HB2 GLU X 94 98.902 6.042 -6.444 1.00 1.00 H new ATOM 0 HB3 GLU X 94 99.005 7.791 -6.431 1.00 1.00 H new ATOM 0 HG2 GLU X 94 96.360 6.254 -6.486 1.00 1.00 H new ATOM 0 HG3 GLU X 94 97.109 6.840 -5.014 1.00 1.00 H new ATOM 1591 N VAL X 95 100.016 6.171 -9.709 1.00 1.00 N ATOM 1592 CA VAL X 95 101.310 6.238 -10.384 1.00 1.00 C ATOM 1593 C VAL X 95 101.119 6.246 -11.895 1.00 1.00 C ATOM 1594 O VAL X 95 100.370 5.437 -12.441 1.00 1.00 O ATOM 1595 CB VAL X 95 102.170 5.037 -9.987 1.00 1.00 C ATOM 1596 CG1 VAL X 95 103.420 4.989 -10.869 1.00 1.00 C ATOM 1597 CG2 VAL X 95 102.584 5.166 -8.521 1.00 1.00 C ATOM 0 H VAL X 95 99.485 5.320 -9.893 1.00 1.00 H new ATOM 0 HA VAL X 95 101.810 7.158 -10.083 1.00 1.00 H new ATOM 0 HB VAL X 95 101.596 4.120 -10.122 1.00 1.00 H new ATOM 0 HG11 VAL X 95 104.033 4.133 -10.586 1.00 1.00 H new ATOM 0 HG12 VAL X 95 103.125 4.894 -11.914 1.00 1.00 H new ATOM 0 HG13 VAL X 95 103.994 5.906 -10.736 1.00 1.00 H new ATOM 0 HG21 VAL X 95 103.197 4.310 -8.239 1.00 1.00 H new ATOM 0 HG22 VAL X 95 103.157 6.083 -8.384 1.00 1.00 H new ATOM 0 HG23 VAL X 95 101.694 5.197 -7.893 1.00 1.00 H new ATOM 1607 N ASN X 96 101.799 7.171 -12.563 1.00 1.00 N ATOM 1608 CA ASN X 96 101.693 7.280 -14.011 1.00 1.00 C ATOM 1609 C ASN X 96 100.254 7.582 -14.414 1.00 1.00 C ATOM 1610 O ASN X 96 99.551 6.721 -14.940 1.00 1.00 O ATOM 1611 CB ASN X 96 102.158 5.978 -14.671 1.00 1.00 C ATOM 1612 CG ASN X 96 102.588 6.246 -16.109 1.00 1.00 C ATOM 1613 OD1 ASN X 96 101.749 6.485 -16.978 1.00 1.00 O ATOM 1614 ND2 ASN X 96 103.857 6.221 -16.412 1.00 1.00 N ATOM 0 H ASN X 96 102.424 7.850 -12.129 1.00 1.00 H new ATOM 0 HA ASN X 96 102.331 8.097 -14.348 1.00 1.00 H new ATOM 0 HB2 ASN X 96 102.988 5.552 -14.108 1.00 1.00 H new ATOM 0 HB3 ASN X 96 101.352 5.244 -14.655 1.00 1.00 H new ATOM 0 HD21 ASN X 96 104.156 6.400 -17.371 1.00 1.00 H new ATOM 0 HD22 ASN X 96 104.550 6.023 -15.690 1.00 1.00 H new ATOM 1621 N PRO X 97 99.813 8.787 -14.177 1.00 1.00 N ATOM 1622 CA PRO X 97 98.426 9.217 -14.522 1.00 1.00 C ATOM 1623 C PRO X 97 98.120 9.022 -16.003 1.00 1.00 C ATOM 1624 O PRO X 97 98.977 9.242 -16.859 1.00 1.00 O ATOM 1625 CB PRO X 97 98.401 10.706 -14.150 1.00 1.00 C ATOM 1626 CG PRO X 97 99.517 10.893 -13.176 1.00 1.00 C ATOM 1627 CD PRO X 97 100.583 9.865 -13.544 1.00 1.00 C ATOM 0 HA PRO X 97 97.673 8.631 -13.996 1.00 1.00 H new ATOM 0 HB2 PRO X 97 98.540 11.333 -15.031 1.00 1.00 H new ATOM 0 HB3 PRO X 97 97.444 10.984 -13.708 1.00 1.00 H new ATOM 0 HG2 PRO X 97 99.917 11.905 -13.233 1.00 1.00 H new ATOM 0 HG3 PRO X 97 99.170 10.744 -12.154 1.00 1.00 H new ATOM 0 HD2 PRO X 97 101.325 10.282 -14.225 1.00 1.00 H new ATOM 0 HD3 PRO X 97 101.121 9.511 -12.664 1.00 1.00 H new ATOM 1635 N GLN X 98 96.892 8.600 -16.293 1.00 1.00 N ATOM 1636 CA GLN X 98 96.476 8.368 -17.673 1.00 1.00 C ATOM 1637 C GLN X 98 95.138 9.048 -17.945 1.00 1.00 C ATOM 1638 O GLN X 98 94.298 9.163 -17.053 1.00 1.00 O ATOM 1639 CB GLN X 98 96.345 6.864 -17.928 1.00 1.00 C ATOM 1640 CG GLN X 98 97.697 6.184 -17.699 1.00 1.00 C ATOM 1641 CD GLN X 98 98.711 6.667 -18.730 1.00 1.00 C ATOM 1642 OE1 GLN X 98 99.781 7.300 -18.334 1.00 1.00 O flip ATOM 1643 NE2 GLN X 98 98.523 6.460 -19.929 1.00 1.00 N flip ATOM 0 H GLN X 98 96.172 8.413 -15.596 1.00 1.00 H new ATOM 0 HA GLN X 98 97.229 8.788 -18.340 1.00 1.00 H new ATOM 0 HB2 GLN X 98 95.594 6.436 -17.263 1.00 1.00 H new ATOM 0 HB3 GLN X 98 96.005 6.686 -18.948 1.00 1.00 H new ATOM 0 HG2 GLN X 98 98.057 6.403 -16.694 1.00 1.00 H new ATOM 0 HG3 GLN X 98 97.584 5.102 -17.768 1.00 1.00 H new ATOM 0 HE21 GLN X 98 97.686 5.965 -20.236 1.00 1.00 H new ATOM 0 HE22 GLN X 98 99.205 6.784 -20.615 1.00 1.00 H new ATOM 1652 N VAL X 99 94.952 9.498 -19.183 1.00 1.00 N ATOM 1653 CA VAL X 99 93.716 10.169 -19.572 1.00 1.00 C ATOM 1654 C VAL X 99 93.077 9.466 -20.764 1.00 1.00 C ATOM 1655 O VAL X 99 93.754 9.140 -21.739 1.00 1.00 O ATOM 1656 CB VAL X 99 94.005 11.625 -19.933 1.00 1.00 C ATOM 1657 CG1 VAL X 99 92.780 12.230 -20.621 1.00 1.00 C ATOM 1658 CG2 VAL X 99 94.313 12.414 -18.658 1.00 1.00 C ATOM 0 H VAL X 99 95.639 9.410 -19.932 1.00 1.00 H new ATOM 0 HA VAL X 99 93.025 10.133 -18.730 1.00 1.00 H new ATOM 0 HB VAL X 99 94.861 11.671 -20.606 1.00 1.00 H new ATOM 0 HG11 VAL X 99 92.984 13.269 -20.879 1.00 1.00 H new ATOM 0 HG12 VAL X 99 92.557 11.668 -21.528 1.00 1.00 H new ATOM 0 HG13 VAL X 99 91.925 12.185 -19.947 1.00 1.00 H new ATOM 0 HG21 VAL X 99 94.519 13.453 -18.914 1.00 1.00 H new ATOM 0 HG22 VAL X 99 93.456 12.369 -17.986 1.00 1.00 H new ATOM 0 HG23 VAL X 99 95.184 11.982 -18.164 1.00 1.00 H new ATOM 1668 N MET X 100 91.769 9.235 -20.674 1.00 1.00 N ATOM 1669 CA MET X 100 91.041 8.568 -21.750 1.00 1.00 C ATOM 1670 C MET X 100 89.998 9.509 -22.344 1.00 1.00 C ATOM 1671 O MET X 100 90.118 10.704 -22.131 1.00 1.00 O ATOM 1672 CB MET X 100 90.344 7.318 -21.205 1.00 1.00 C ATOM 1673 CG MET X 100 91.384 6.346 -20.636 1.00 1.00 C ATOM 1674 SD MET X 100 92.513 5.803 -21.947 1.00 1.00 S ATOM 1675 CE MET X 100 91.321 4.844 -22.915 1.00 1.00 C ATOM 1676 OXT MET X 100 89.095 9.020 -23.004 1.00 1.00 O ATOM 0 H MET X 100 91.195 9.498 -19.873 1.00 1.00 H new ATOM 0 HA MET X 100 91.749 8.283 -22.528 1.00 1.00 H new ATOM 0 HB2 MET X 100 89.632 7.598 -20.429 1.00 1.00 H new ATOM 0 HB3 MET X 100 89.776 6.833 -21.999 1.00 1.00 H new ATOM 0 HG2 MET X 100 91.947 6.830 -19.838 1.00 1.00 H new ATOM 0 HG3 MET X 100 90.884 5.483 -20.196 1.00 1.00 H new ATOM 0 HE1 MET X 100 91.844 4.060 -23.463 1.00 1.00 H new ATOM 0 HE2 MET X 100 90.588 4.393 -22.246 1.00 1.00 H new ATOM 0 HE3 MET X 100 90.812 5.501 -23.620 1.00 1.00 H new TER 1686 MET X 100