USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 812 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 THR OG1 : rot 180:sc= -0.0287 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0.067 USER MOD Set 2.1: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 66 SER OG : rot 170:sc= -0.714 USER MOD Set 3.1: A 49 TYR OH : rot 180:sc= 0.371 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.542 X(o=0.91,f=0.67) USER MOD Set 4.1: A 46 GLN : amide:sc= 0.954 K(o=2.1,f=-0.78) USER MOD Set 4.2: A 48 TYR OH : rot 98:sc= 1.1 USER MOD Set 5.1: A 17 LYS NZ :NH3+ 164:sc= 1.44 (180deg=0.851) USER MOD Set 5.2: A 102 SER OG : rot 46:sc= 1.02 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 78:sc= 0.253 USER MOD Single : A 24 ASN : amide:sc= -0.0033 X(o=-0.0033,f=-0.15) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= -0.0685 (180deg=-0.636) USER MOD Single : A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-0.88) USER MOD Single : A 35 LYS NZ :NH3+ 149:sc= 1.25 (180deg=0.887) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 82:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -104:sc= -1.35 (180deg=-5.1!) USER MOD Single : A 59 THR OG1 : rot -109:sc= -0.562 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 76:sc= 0.44 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.617 K(o=0.62,f=-2.4!) USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= -0.0137 (180deg=-0.27) USER MOD Single : A 92 SER OG : rot -134:sc= -1.17 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.0035) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 82:sc= 0.363 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 11.529 15.288 17.588 1.00 0.00 N ATOM 2 CA GLU A 1 11.054 13.897 17.321 1.00 0.00 C ATOM 3 C GLU A 1 11.425 13.471 15.892 1.00 0.00 C ATOM 4 O GLU A 1 12.181 12.539 15.696 1.00 0.00 O ATOM 5 CB GLU A 1 9.529 13.950 17.498 1.00 0.00 C ATOM 6 CG GLU A 1 8.921 12.570 17.222 1.00 0.00 C ATOM 7 CD GLU A 1 9.505 11.541 18.194 1.00 0.00 C ATOM 8 OE1 GLU A 1 9.032 11.480 19.318 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.417 10.833 17.799 1.00 0.00 O ATOM 0 H1 GLU A 1 11.271 15.563 18.557 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.563 15.329 17.480 1.00 0.00 H new ATOM 0 H3 GLU A 1 11.084 15.942 16.913 1.00 0.00 H new ATOM 0 HA GLU A 1 11.511 13.170 17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.283 14.269 18.511 1.00 0.00 H new ATOM 0 HB3 GLU A 1 9.101 14.687 16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 1 7.837 12.612 17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 1 9.127 12.271 16.194 1.00 0.00 H new ATOM 18 N ALA A 2 10.902 14.147 14.897 1.00 0.00 N ATOM 19 CA ALA A 2 11.225 13.780 13.483 1.00 0.00 C ATOM 20 C ALA A 2 12.649 14.227 13.129 1.00 0.00 C ATOM 21 O ALA A 2 12.969 15.401 13.172 1.00 0.00 O ATOM 22 CB ALA A 2 10.198 14.528 12.629 1.00 0.00 C ATOM 0 H ALA A 2 10.266 14.937 15.004 1.00 0.00 H new ATOM 0 HA ALA A 2 11.181 12.703 13.319 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.371 14.308 11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.193 14.209 12.906 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.297 15.600 12.797 1.00 0.00 H new ATOM 28 N TYR A 3 13.507 13.297 12.783 1.00 0.00 N ATOM 29 CA TYR A 3 14.914 13.658 12.426 1.00 0.00 C ATOM 30 C TYR A 3 15.558 12.544 11.587 1.00 0.00 C ATOM 31 O TYR A 3 16.073 12.789 10.513 1.00 0.00 O ATOM 32 CB TYR A 3 15.640 13.813 13.766 1.00 0.00 C ATOM 33 CG TYR A 3 16.916 14.595 13.563 1.00 0.00 C ATOM 34 CD1 TYR A 3 16.881 15.994 13.522 1.00 0.00 C ATOM 35 CD2 TYR A 3 18.133 13.920 13.414 1.00 0.00 C ATOM 36 CE1 TYR A 3 18.063 16.719 13.332 1.00 0.00 C ATOM 37 CE2 TYR A 3 19.316 14.645 13.224 1.00 0.00 C ATOM 38 CZ TYR A 3 19.281 16.044 13.183 1.00 0.00 C ATOM 39 OH TYR A 3 20.446 16.758 12.995 1.00 0.00 O ATOM 0 H TYR A 3 13.292 12.301 12.733 1.00 0.00 H new ATOM 0 HA TYR A 3 14.964 14.569 11.829 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.998 14.325 14.482 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.865 12.832 14.185 1.00 0.00 H new ATOM 0 HD1 TYR A 3 15.941 16.514 13.637 1.00 0.00 H new ATOM 0 HD2 TYR A 3 18.160 12.841 13.446 1.00 0.00 H new ATOM 0 HE1 TYR A 3 18.036 17.798 13.300 1.00 0.00 H new ATOM 0 HE2 TYR A 3 20.255 14.125 13.109 1.00 0.00 H new ATOM 0 HH TYR A 3 21.200 16.138 12.911 1.00 0.00 H new ATOM 49 N VAL A 4 15.535 11.326 12.073 1.00 0.00 N ATOM 50 CA VAL A 4 16.146 10.192 11.308 1.00 0.00 C ATOM 51 C VAL A 4 15.244 9.791 10.129 1.00 0.00 C ATOM 52 O VAL A 4 14.031 9.800 10.232 1.00 0.00 O ATOM 53 CB VAL A 4 16.281 9.043 12.322 1.00 0.00 C ATOM 54 CG1 VAL A 4 14.896 8.555 12.763 1.00 0.00 C ATOM 55 CG2 VAL A 4 17.046 7.882 11.678 1.00 0.00 C ATOM 0 H VAL A 4 15.119 11.068 12.968 1.00 0.00 H new ATOM 0 HA VAL A 4 17.112 10.459 10.879 1.00 0.00 H new ATOM 0 HB VAL A 4 16.823 9.406 13.195 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.008 7.742 13.480 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.352 9.377 13.228 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.342 8.199 11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 4 17.142 7.067 12.396 1.00 0.00 H new ATOM 0 HG22 VAL A 4 16.503 7.531 10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 4 18.038 8.221 11.379 1.00 0.00 H new ATOM 65 N GLN A 5 15.833 9.442 9.012 1.00 0.00 N ATOM 66 CA GLN A 5 15.020 9.041 7.821 1.00 0.00 C ATOM 67 C GLN A 5 15.634 7.807 7.145 1.00 0.00 C ATOM 68 O GLN A 5 16.839 7.628 7.133 1.00 0.00 O ATOM 69 CB GLN A 5 15.075 10.250 6.883 1.00 0.00 C ATOM 70 CG GLN A 5 13.919 10.178 5.882 1.00 0.00 C ATOM 71 CD GLN A 5 13.910 11.441 5.017 1.00 0.00 C ATOM 72 OE1 GLN A 5 14.826 11.675 4.253 1.00 0.00 O ATOM 73 NE2 GLN A 5 12.906 12.271 5.104 1.00 0.00 N ATOM 0 H GLN A 5 16.843 9.417 8.873 1.00 0.00 H new ATOM 0 HA GLN A 5 13.997 8.776 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 5 15.013 11.173 7.459 1.00 0.00 H new ATOM 0 HB3 GLN A 5 16.027 10.269 6.353 1.00 0.00 H new ATOM 0 HG2 GLN A 5 14.024 9.294 5.252 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.971 10.081 6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 5 12.137 12.076 5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.891 13.115 4.531 1.00 0.00 H new ATOM 82 N GLY A 6 14.814 6.954 6.578 1.00 0.00 N ATOM 83 CA GLY A 6 15.350 5.735 5.899 1.00 0.00 C ATOM 84 C GLY A 6 14.236 4.701 5.717 1.00 0.00 C ATOM 85 O GLY A 6 13.757 4.484 4.620 1.00 0.00 O ATOM 0 H GLY A 6 13.799 7.050 6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 6 15.769 6.004 4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.161 5.307 6.489 1.00 0.00 H new ATOM 89 N TRP A 7 13.824 4.061 6.786 1.00 0.00 N ATOM 90 CA TRP A 7 12.740 3.028 6.687 1.00 0.00 C ATOM 91 C TRP A 7 11.453 3.649 6.134 1.00 0.00 C ATOM 92 O TRP A 7 10.827 3.100 5.248 1.00 0.00 O ATOM 93 CB TRP A 7 12.522 2.530 8.123 1.00 0.00 C ATOM 94 CG TRP A 7 13.088 1.151 8.285 1.00 0.00 C ATOM 95 CD1 TRP A 7 14.311 0.751 7.864 1.00 0.00 C ATOM 96 CD2 TRP A 7 12.474 -0.011 8.918 1.00 0.00 C ATOM 97 NE1 TRP A 7 14.485 -0.583 8.196 1.00 0.00 N ATOM 98 CE2 TRP A 7 13.380 -1.096 8.845 1.00 0.00 C ATOM 99 CE3 TRP A 7 11.230 -0.227 9.539 1.00 0.00 C ATOM 100 CZ2 TRP A 7 13.064 -2.349 9.371 1.00 0.00 C ATOM 101 CZ3 TRP A 7 10.909 -1.487 10.068 1.00 0.00 C ATOM 102 CH2 TRP A 7 11.825 -2.545 9.985 1.00 0.00 C ATOM 0 H TRP A 7 14.192 4.209 7.726 1.00 0.00 H new ATOM 0 HA TRP A 7 13.014 2.217 6.012 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.998 3.211 8.828 1.00 0.00 H new ATOM 0 HB3 TRP A 7 11.457 2.523 8.356 1.00 0.00 H new ATOM 0 HD1 TRP A 7 15.033 1.370 7.353 1.00 0.00 H new ATOM 0 HE1 TRP A 7 15.326 -1.120 7.986 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.518 0.582 9.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 13.772 -3.161 9.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.951 -1.642 10.542 1.00 0.00 H new ATOM 0 HH2 TRP A 7 11.573 -3.511 10.396 1.00 0.00 H new ATOM 113 N GLU A 8 11.059 4.791 6.645 1.00 0.00 N ATOM 114 CA GLU A 8 9.815 5.447 6.138 1.00 0.00 C ATOM 115 C GLU A 8 9.975 5.772 4.650 1.00 0.00 C ATOM 116 O GLU A 8 9.075 5.559 3.859 1.00 0.00 O ATOM 117 CB GLU A 8 9.665 6.730 6.961 1.00 0.00 C ATOM 118 CG GLU A 8 8.291 7.357 6.693 1.00 0.00 C ATOM 119 CD GLU A 8 8.392 8.352 5.533 1.00 0.00 C ATOM 120 OE1 GLU A 8 9.009 9.387 5.718 1.00 0.00 O ATOM 121 OE2 GLU A 8 7.850 8.062 4.479 1.00 0.00 O ATOM 0 H GLU A 8 11.544 5.294 7.388 1.00 0.00 H new ATOM 0 HA GLU A 8 8.938 4.808 6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.773 6.508 8.023 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.454 7.435 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.566 6.579 6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.931 7.864 7.589 1.00 0.00 H new ATOM 128 N ALA A 9 11.122 6.278 4.267 1.00 0.00 N ATOM 129 CA ALA A 9 11.358 6.614 2.831 1.00 0.00 C ATOM 130 C ALA A 9 11.223 5.358 1.964 1.00 0.00 C ATOM 131 O ALA A 9 10.660 5.400 0.886 1.00 0.00 O ATOM 132 CB ALA A 9 12.786 7.164 2.772 1.00 0.00 C ATOM 0 H ALA A 9 11.906 6.473 4.890 1.00 0.00 H new ATOM 0 HA ALA A 9 10.634 7.337 2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.030 7.433 1.744 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.862 8.047 3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.484 6.404 3.124 1.00 0.00 H new ATOM 138 N VAL A 10 11.723 4.238 2.433 1.00 0.00 N ATOM 139 CA VAL A 10 11.609 2.976 1.641 1.00 0.00 C ATOM 140 C VAL A 10 10.135 2.568 1.537 1.00 0.00 C ATOM 141 O VAL A 10 9.679 2.125 0.500 1.00 0.00 O ATOM 142 CB VAL A 10 12.417 1.926 2.414 1.00 0.00 C ATOM 143 CG1 VAL A 10 12.308 0.569 1.712 1.00 0.00 C ATOM 144 CG2 VAL A 10 13.889 2.346 2.467 1.00 0.00 C ATOM 0 H VAL A 10 12.203 4.146 3.328 1.00 0.00 H new ATOM 0 HA VAL A 10 11.986 3.088 0.624 1.00 0.00 H new ATOM 0 HB VAL A 10 12.021 1.847 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.883 -0.174 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.263 0.263 1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.700 0.651 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 10 14.461 1.599 3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.280 2.429 1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.975 3.310 2.969 1.00 0.00 H new ATOM 154 N ALA A 11 9.385 2.728 2.602 1.00 0.00 N ATOM 155 CA ALA A 11 7.936 2.366 2.566 1.00 0.00 C ATOM 156 C ALA A 11 7.195 3.275 1.577 1.00 0.00 C ATOM 157 O ALA A 11 6.331 2.829 0.844 1.00 0.00 O ATOM 158 CB ALA A 11 7.422 2.586 3.991 1.00 0.00 C ATOM 0 H ALA A 11 9.716 3.094 3.494 1.00 0.00 H new ATOM 0 HA ALA A 11 7.777 1.338 2.240 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.361 2.339 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.974 1.947 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.564 3.630 4.272 1.00 0.00 H new ATOM 164 N ALA A 12 7.541 4.541 1.542 1.00 0.00 N ATOM 165 CA ALA A 12 6.873 5.477 0.591 1.00 0.00 C ATOM 166 C ALA A 12 7.235 5.097 -0.850 1.00 0.00 C ATOM 167 O ALA A 12 6.404 5.143 -1.737 1.00 0.00 O ATOM 168 CB ALA A 12 7.417 6.865 0.939 1.00 0.00 C ATOM 0 H ALA A 12 8.258 4.963 2.132 1.00 0.00 H new ATOM 0 HA ALA A 12 5.786 5.444 0.669 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.969 7.607 0.279 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.170 7.104 1.974 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.500 6.874 0.813 1.00 0.00 H new ATOM 174 N ALA A 13 8.466 4.705 -1.081 1.00 0.00 N ATOM 175 CA ALA A 13 8.881 4.301 -2.457 1.00 0.00 C ATOM 176 C ALA A 13 8.116 3.044 -2.881 1.00 0.00 C ATOM 177 O ALA A 13 7.665 2.935 -4.006 1.00 0.00 O ATOM 178 CB ALA A 13 10.382 4.017 -2.359 1.00 0.00 C ATOM 0 H ALA A 13 9.199 4.648 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 13 8.669 5.071 -3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.759 3.713 -3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.902 4.918 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.555 3.217 -1.639 1.00 0.00 H new ATOM 184 N VAL A 14 7.948 2.101 -1.981 1.00 0.00 N ATOM 185 CA VAL A 14 7.191 0.860 -2.330 1.00 0.00 C ATOM 186 C VAL A 14 5.746 1.237 -2.680 1.00 0.00 C ATOM 187 O VAL A 14 5.177 0.734 -3.632 1.00 0.00 O ATOM 188 CB VAL A 14 7.243 -0.023 -1.073 1.00 0.00 C ATOM 189 CG1 VAL A 14 6.372 -1.268 -1.275 1.00 0.00 C ATOM 190 CG2 VAL A 14 8.688 -0.459 -0.809 1.00 0.00 C ATOM 0 H VAL A 14 8.302 2.139 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 14 7.611 0.337 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 14 6.870 0.548 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.413 -1.890 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.341 -0.965 -1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.741 -1.836 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.722 -1.085 0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.059 -1.025 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.312 0.422 -0.658 1.00 0.00 H new ATOM 200 N ALA A 15 5.158 2.139 -1.927 1.00 0.00 N ATOM 201 CA ALA A 15 3.759 2.573 -2.222 1.00 0.00 C ATOM 202 C ALA A 15 3.706 3.235 -3.605 1.00 0.00 C ATOM 203 O ALA A 15 2.776 3.034 -4.363 1.00 0.00 O ATOM 204 CB ALA A 15 3.404 3.579 -1.122 1.00 0.00 C ATOM 0 H ALA A 15 5.589 2.592 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 15 3.058 1.739 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.387 3.941 -1.275 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.474 3.093 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.098 4.419 -1.159 1.00 0.00 H new ATOM 210 N SER A 16 4.709 4.015 -3.939 1.00 0.00 N ATOM 211 CA SER A 16 4.736 4.677 -5.278 1.00 0.00 C ATOM 212 C SER A 16 4.765 3.612 -6.379 1.00 0.00 C ATOM 213 O SER A 16 4.085 3.729 -7.383 1.00 0.00 O ATOM 214 CB SER A 16 6.022 5.507 -5.296 1.00 0.00 C ATOM 215 OG SER A 16 5.884 6.603 -4.400 1.00 0.00 O ATOM 0 H SER A 16 5.509 4.220 -3.340 1.00 0.00 H new ATOM 0 HA SER A 16 3.858 5.299 -5.451 1.00 0.00 H new ATOM 0 HB2 SER A 16 6.872 4.889 -5.006 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.221 5.869 -6.305 1.00 0.00 H new ATOM 0 HG SER A 16 6.008 6.291 -3.479 1.00 0.00 H new ATOM 221 N LYS A 17 5.534 2.564 -6.191 1.00 0.00 N ATOM 222 CA LYS A 17 5.589 1.480 -7.216 1.00 0.00 C ATOM 223 C LYS A 17 4.236 0.752 -7.276 1.00 0.00 C ATOM 224 O LYS A 17 3.824 0.282 -8.319 1.00 0.00 O ATOM 225 CB LYS A 17 6.705 0.534 -6.757 1.00 0.00 C ATOM 226 CG LYS A 17 7.210 -0.281 -7.954 1.00 0.00 C ATOM 227 CD LYS A 17 8.284 0.513 -8.704 1.00 0.00 C ATOM 228 CE LYS A 17 8.579 -0.161 -10.050 1.00 0.00 C ATOM 229 NZ LYS A 17 9.755 -1.048 -9.800 1.00 0.00 N ATOM 0 H LYS A 17 6.124 2.416 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 17 5.789 1.865 -8.216 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.524 1.106 -6.321 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.333 -0.134 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.619 -1.232 -7.612 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.382 -0.513 -8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.947 1.537 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.194 0.567 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.721 -0.735 -10.398 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.801 0.578 -10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.845 -1.732 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.619 -0.472 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.620 -1.559 -8.904 1.00 0.00 H new ATOM 243 N ILE A 18 3.534 0.674 -6.163 1.00 0.00 N ATOM 244 CA ILE A 18 2.199 -0.001 -6.154 1.00 0.00 C ATOM 245 C ILE A 18 1.230 0.762 -7.066 1.00 0.00 C ATOM 246 O ILE A 18 0.549 0.177 -7.883 1.00 0.00 O ATOM 247 CB ILE A 18 1.730 0.046 -4.690 1.00 0.00 C ATOM 248 CG1 ILE A 18 2.346 -1.124 -3.914 1.00 0.00 C ATOM 249 CG2 ILE A 18 0.199 -0.046 -4.617 1.00 0.00 C ATOM 250 CD1 ILE A 18 1.832 -2.455 -4.477 1.00 0.00 C ATOM 0 H ILE A 18 3.832 1.050 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 18 2.245 -1.026 -6.522 1.00 0.00 H new ATOM 0 HB ILE A 18 2.051 0.990 -4.250 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.433 -1.086 -3.984 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.092 -1.044 -2.857 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.118 -0.012 -3.575 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.242 0.791 -5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.131 -0.983 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.275 -3.281 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.747 -2.495 -4.384 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.109 -2.537 -5.528 1.00 0.00 H new ATOM 262 N VAL A 19 1.176 2.068 -6.938 1.00 0.00 N ATOM 263 CA VAL A 19 0.257 2.873 -7.803 1.00 0.00 C ATOM 264 C VAL A 19 0.677 2.741 -9.275 1.00 0.00 C ATOM 265 O VAL A 19 -0.154 2.651 -10.158 1.00 0.00 O ATOM 266 CB VAL A 19 0.407 4.322 -7.314 1.00 0.00 C ATOM 267 CG1 VAL A 19 -0.186 5.286 -8.347 1.00 0.00 C ATOM 268 CG2 VAL A 19 -0.335 4.496 -5.984 1.00 0.00 C ATOM 0 H VAL A 19 1.728 2.609 -6.273 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.778 2.537 -7.738 1.00 0.00 H new ATOM 0 HB VAL A 19 1.466 4.541 -7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.076 6.311 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.339 5.171 -9.295 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.243 5.063 -8.488 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.227 5.524 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.392 4.269 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.086 3.818 -5.241 1.00 0.00 H new ATOM 278 N GLY A 20 1.962 2.719 -9.538 1.00 0.00 N ATOM 279 CA GLY A 20 2.445 2.583 -10.945 1.00 0.00 C ATOM 280 C GLY A 20 2.192 1.154 -11.456 1.00 0.00 C ATOM 281 O GLY A 20 2.052 0.933 -12.644 1.00 0.00 O ATOM 0 H GLY A 20 2.698 2.790 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.933 3.302 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.509 2.813 -10.996 1.00 0.00 H new ATOM 285 N LEU A 21 2.144 0.182 -10.571 1.00 0.00 N ATOM 286 CA LEU A 21 1.914 -1.229 -11.010 1.00 0.00 C ATOM 287 C LEU A 21 0.562 -1.762 -10.505 1.00 0.00 C ATOM 288 O LEU A 21 0.419 -2.942 -10.232 1.00 0.00 O ATOM 289 CB LEU A 21 3.066 -2.024 -10.390 1.00 0.00 C ATOM 290 CG LEU A 21 3.408 -3.218 -11.285 1.00 0.00 C ATOM 291 CD1 LEU A 21 4.246 -2.746 -12.477 1.00 0.00 C ATOM 292 CD2 LEU A 21 4.204 -4.247 -10.478 1.00 0.00 C ATOM 0 H LEU A 21 2.255 0.308 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 21 1.885 -1.311 -12.097 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.940 -1.384 -10.271 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.787 -2.371 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 21 2.487 -3.672 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.488 -3.598 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.680 -2.014 -13.053 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.168 -2.290 -12.116 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.448 -5.098 -11.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.124 -3.790 -10.113 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.607 -4.586 -9.631 1.00 0.00 H new ATOM 304 N TRP A 22 -0.433 -0.918 -10.388 1.00 0.00 N ATOM 305 CA TRP A 22 -1.762 -1.400 -9.914 1.00 0.00 C ATOM 306 C TRP A 22 -2.661 -1.742 -11.113 1.00 0.00 C ATOM 307 O TRP A 22 -2.799 -0.970 -12.045 1.00 0.00 O ATOM 308 CB TRP A 22 -2.358 -0.244 -9.097 1.00 0.00 C ATOM 309 CG TRP A 22 -3.701 -0.640 -8.553 1.00 0.00 C ATOM 310 CD1 TRP A 22 -4.094 -1.908 -8.276 1.00 0.00 C ATOM 311 CD2 TRP A 22 -4.830 0.217 -8.212 1.00 0.00 C ATOM 312 NE1 TRP A 22 -5.395 -1.884 -7.809 1.00 0.00 N ATOM 313 CE2 TRP A 22 -5.891 -0.597 -7.744 1.00 0.00 C ATOM 314 CE3 TRP A 22 -5.038 1.606 -8.265 1.00 0.00 C ATOM 315 CZ2 TRP A 22 -7.111 -0.052 -7.344 1.00 0.00 C ATOM 316 CZ3 TRP A 22 -6.264 2.158 -7.863 1.00 0.00 C ATOM 317 CH2 TRP A 22 -7.299 1.331 -7.403 1.00 0.00 C ATOM 0 H TRP A 22 -0.381 0.078 -10.600 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.675 -2.306 -9.313 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -1.687 0.018 -8.278 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -2.457 0.642 -9.724 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.488 -2.794 -8.400 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.924 -2.715 -7.545 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.249 2.253 -8.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.904 -0.694 -6.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.411 3.227 -7.908 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.240 1.763 -7.095 1.00 0.00 H new ATOM 328 N ARG A 23 -3.274 -2.895 -11.079 1.00 0.00 N ATOM 329 CA ARG A 23 -4.178 -3.324 -12.185 1.00 0.00 C ATOM 330 C ARG A 23 -5.636 -3.034 -11.789 1.00 0.00 C ATOM 331 O ARG A 23 -5.888 -2.406 -10.776 1.00 0.00 O ATOM 332 CB ARG A 23 -3.918 -4.835 -12.311 1.00 0.00 C ATOM 333 CG ARG A 23 -3.450 -5.164 -13.731 1.00 0.00 C ATOM 334 CD ARG A 23 -2.009 -4.674 -13.925 1.00 0.00 C ATOM 335 NE ARG A 23 -1.148 -5.726 -13.305 1.00 0.00 N ATOM 336 CZ ARG A 23 -0.230 -6.324 -14.017 1.00 0.00 C ATOM 337 NH1 ARG A 23 0.861 -5.682 -14.343 1.00 0.00 N ATOM 338 NH2 ARG A 23 -0.401 -7.565 -14.394 1.00 0.00 N ATOM 0 H ARG A 23 -3.185 -3.569 -10.318 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.001 -2.804 -13.127 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.163 -5.145 -11.588 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.827 -5.390 -12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.505 -6.239 -13.903 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.107 -4.690 -14.460 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.776 -4.547 -14.982 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.855 -3.707 -13.446 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.277 -5.978 -12.325 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.994 -4.717 -14.042 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.579 -6.146 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.251 -8.065 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.315 -8.032 -14.950 1.00 0.00 H new ATOM 352 N ASN A 24 -6.596 -3.476 -12.575 1.00 0.00 N ATOM 353 CA ASN A 24 -8.041 -3.222 -12.236 1.00 0.00 C ATOM 354 C ASN A 24 -8.297 -3.468 -10.742 1.00 0.00 C ATOM 355 O ASN A 24 -9.021 -2.732 -10.099 1.00 0.00 O ATOM 356 CB ASN A 24 -8.833 -4.228 -13.078 1.00 0.00 C ATOM 357 CG ASN A 24 -9.328 -3.554 -14.360 1.00 0.00 C ATOM 358 OD1 ASN A 24 -9.962 -2.519 -14.312 1.00 0.00 O ATOM 359 ND2 ASN A 24 -9.064 -4.101 -15.516 1.00 0.00 N ATOM 0 H ASN A 24 -6.442 -4.001 -13.436 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.330 -2.192 -12.443 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.205 -5.084 -13.325 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.679 -4.609 -12.506 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.390 -3.659 -16.376 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.532 -4.970 -15.559 1.00 0.00 H new ATOM 366 N GLU A 25 -7.695 -4.494 -10.193 1.00 0.00 N ATOM 367 CA GLU A 25 -7.871 -4.809 -8.739 1.00 0.00 C ATOM 368 C GLU A 25 -6.783 -5.797 -8.285 1.00 0.00 C ATOM 369 O GLU A 25 -7.027 -6.690 -7.493 1.00 0.00 O ATOM 370 CB GLU A 25 -9.266 -5.440 -8.628 1.00 0.00 C ATOM 371 CG GLU A 25 -9.329 -6.725 -9.464 1.00 0.00 C ATOM 372 CD GLU A 25 -10.657 -7.438 -9.202 1.00 0.00 C ATOM 373 OE1 GLU A 25 -10.811 -7.981 -8.118 1.00 0.00 O ATOM 374 OE2 GLU A 25 -11.495 -7.432 -10.087 1.00 0.00 O ATOM 0 H GLU A 25 -7.081 -5.135 -10.696 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.783 -3.925 -8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.491 -5.663 -7.585 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.022 -4.734 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.234 -6.487 -10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.496 -7.379 -9.208 1.00 0.00 H new ATOM 381 N LYS A 26 -5.587 -5.647 -8.801 1.00 0.00 N ATOM 382 CA LYS A 26 -4.477 -6.577 -8.433 1.00 0.00 C ATOM 383 C LYS A 26 -3.121 -5.866 -8.523 1.00 0.00 C ATOM 384 O LYS A 26 -2.989 -4.851 -9.174 1.00 0.00 O ATOM 385 CB LYS A 26 -4.563 -7.688 -9.482 1.00 0.00 C ATOM 386 CG LYS A 26 -3.721 -8.888 -9.043 1.00 0.00 C ATOM 387 CD LYS A 26 -4.245 -10.158 -9.722 1.00 0.00 C ATOM 388 CE LYS A 26 -4.539 -11.229 -8.665 1.00 0.00 C ATOM 389 NZ LYS A 26 -5.668 -10.688 -7.851 1.00 0.00 N ATOM 0 H LYS A 26 -5.332 -4.916 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.565 -6.948 -7.412 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.601 -7.992 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.210 -7.318 -10.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.675 -8.727 -9.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.764 -8.998 -7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.150 -9.933 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.509 -10.530 -10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.810 -12.176 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.663 -11.418 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.252 -11.474 -7.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.289 -10.152 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.251 -10.060 -8.440 1.00 0.00 H new ATOM 403 N THR A 27 -2.111 -6.404 -7.888 1.00 0.00 N ATOM 404 CA THR A 27 -0.755 -5.775 -7.949 1.00 0.00 C ATOM 405 C THR A 27 0.319 -6.824 -7.650 1.00 0.00 C ATOM 406 O THR A 27 0.083 -7.784 -6.944 1.00 0.00 O ATOM 407 CB THR A 27 -0.758 -4.669 -6.883 1.00 0.00 C ATOM 408 OG1 THR A 27 0.441 -3.912 -6.985 1.00 0.00 O ATOM 409 CG2 THR A 27 -0.857 -5.281 -5.482 1.00 0.00 C ATOM 0 H THR A 27 -2.166 -7.255 -7.328 1.00 0.00 H new ATOM 0 HA THR A 27 -0.536 -5.366 -8.935 1.00 0.00 H new ATOM 0 HB THR A 27 -1.619 -4.021 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.271 -2.990 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.858 -4.486 -4.737 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.779 -5.856 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.004 -5.938 -5.311 1.00 0.00 H new ATOM 417 N GLU A 28 1.495 -6.648 -8.189 1.00 0.00 N ATOM 418 CA GLU A 28 2.591 -7.636 -7.945 1.00 0.00 C ATOM 419 C GLU A 28 3.614 -7.047 -6.966 1.00 0.00 C ATOM 420 O GLU A 28 4.333 -6.123 -7.296 1.00 0.00 O ATOM 421 CB GLU A 28 3.231 -7.877 -9.317 1.00 0.00 C ATOM 422 CG GLU A 28 2.159 -8.319 -10.324 1.00 0.00 C ATOM 423 CD GLU A 28 1.848 -7.166 -11.285 1.00 0.00 C ATOM 424 OE1 GLU A 28 2.614 -6.973 -12.216 1.00 0.00 O ATOM 425 OE2 GLU A 28 0.851 -6.494 -11.074 1.00 0.00 O ATOM 0 H GLU A 28 1.747 -5.862 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 28 2.223 -8.564 -7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.717 -6.966 -9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.005 -8.641 -9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.507 -9.188 -10.883 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.254 -8.621 -9.797 1.00 0.00 H new ATOM 432 N LEU A 29 3.684 -7.568 -5.765 1.00 0.00 N ATOM 433 CA LEU A 29 4.660 -7.028 -4.768 1.00 0.00 C ATOM 434 C LEU A 29 5.846 -7.986 -4.602 1.00 0.00 C ATOM 435 O LEU A 29 5.674 -9.148 -4.284 1.00 0.00 O ATOM 436 CB LEU A 29 3.877 -6.907 -3.460 1.00 0.00 C ATOM 437 CG LEU A 29 3.257 -5.510 -3.361 1.00 0.00 C ATOM 438 CD1 LEU A 29 1.950 -5.583 -2.569 1.00 0.00 C ATOM 439 CD2 LEU A 29 4.230 -4.571 -2.647 1.00 0.00 C ATOM 0 H LEU A 29 3.109 -8.342 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 29 5.073 -6.070 -5.082 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.096 -7.666 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.537 -7.084 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 29 3.053 -5.133 -4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.510 -4.588 -2.500 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.255 -6.252 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.152 -5.961 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.790 -3.576 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.433 -4.950 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.162 -4.516 -3.210 1.00 0.00 H new ATOM 451 N LEU A 30 7.047 -7.500 -4.812 1.00 0.00 N ATOM 452 CA LEU A 30 8.268 -8.360 -4.674 1.00 0.00 C ATOM 453 C LEU A 30 8.160 -9.612 -5.563 1.00 0.00 C ATOM 454 O LEU A 30 8.629 -10.678 -5.207 1.00 0.00 O ATOM 455 CB LEU A 30 8.318 -8.745 -3.192 1.00 0.00 C ATOM 456 CG LEU A 30 9.765 -8.697 -2.699 1.00 0.00 C ATOM 457 CD1 LEU A 30 10.212 -7.239 -2.554 1.00 0.00 C ATOM 458 CD2 LEU A 30 9.862 -9.401 -1.342 1.00 0.00 C ATOM 0 H LEU A 30 7.236 -6.533 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 30 9.172 -7.839 -4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.701 -8.063 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.908 -9.745 -3.051 1.00 0.00 H new ATOM 0 HG LEU A 30 10.411 -9.201 -3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.243 -7.208 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.143 -6.739 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.569 -6.731 -1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.892 -9.368 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.215 -8.897 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.547 -10.439 -1.447 1.00 0.00 H new ATOM 470 N GLY A 31 7.547 -9.489 -6.717 1.00 0.00 N ATOM 471 CA GLY A 31 7.408 -10.665 -7.630 1.00 0.00 C ATOM 472 C GLY A 31 6.284 -11.597 -7.147 1.00 0.00 C ATOM 473 O GLY A 31 6.106 -12.677 -7.676 1.00 0.00 O ATOM 0 H GLY A 31 7.137 -8.622 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.194 -10.323 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.349 -11.213 -7.671 1.00 0.00 H new ATOM 477 N HIS A 32 5.526 -11.196 -6.151 1.00 0.00 N ATOM 478 CA HIS A 32 4.421 -12.062 -5.644 1.00 0.00 C ATOM 479 C HIS A 32 3.068 -11.503 -6.094 1.00 0.00 C ATOM 480 O HIS A 32 2.954 -10.342 -6.443 1.00 0.00 O ATOM 481 CB HIS A 32 4.534 -12.000 -4.119 1.00 0.00 C ATOM 482 CG HIS A 32 5.878 -12.517 -3.679 1.00 0.00 C ATOM 483 ND1 HIS A 32 6.407 -13.712 -4.144 1.00 0.00 N ATOM 484 CD2 HIS A 32 6.814 -12.003 -2.818 1.00 0.00 C ATOM 485 CE1 HIS A 32 7.613 -13.871 -3.567 1.00 0.00 C ATOM 486 NE2 HIS A 32 7.908 -12.857 -2.749 1.00 0.00 N ATOM 0 H HIS A 32 5.629 -10.303 -5.669 1.00 0.00 H new ATOM 0 HA HIS A 32 4.493 -13.083 -6.020 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.401 -10.973 -3.778 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.741 -12.592 -3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.715 -11.074 -2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.263 -14.715 -3.744 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.755 -12.736 -2.193 1.00 0.00 H new ATOM 494 N GLU A 33 2.042 -12.315 -6.083 1.00 0.00 N ATOM 495 CA GLU A 33 0.697 -11.822 -6.506 1.00 0.00 C ATOM 496 C GLU A 33 -0.035 -11.194 -5.315 1.00 0.00 C ATOM 497 O GLU A 33 -0.195 -11.809 -4.276 1.00 0.00 O ATOM 498 CB GLU A 33 -0.049 -13.063 -7.010 1.00 0.00 C ATOM 499 CG GLU A 33 -1.461 -12.673 -7.464 1.00 0.00 C ATOM 500 CD GLU A 33 -1.375 -11.722 -8.663 1.00 0.00 C ATOM 501 OE1 GLU A 33 -1.234 -10.528 -8.442 1.00 0.00 O ATOM 502 OE2 GLU A 33 -1.456 -12.201 -9.781 1.00 0.00 O ATOM 0 H GLU A 33 2.077 -13.294 -5.800 1.00 0.00 H new ATOM 0 HA GLU A 33 0.764 -11.054 -7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.497 -13.515 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.105 -13.811 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.025 -13.565 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.997 -12.193 -6.645 1.00 0.00 H new ATOM 509 N CYS A 34 -0.480 -9.973 -5.460 1.00 0.00 N ATOM 510 CA CYS A 34 -1.201 -9.296 -4.343 1.00 0.00 C ATOM 511 C CYS A 34 -2.507 -8.678 -4.852 1.00 0.00 C ATOM 512 O CYS A 34 -2.742 -8.589 -6.043 1.00 0.00 O ATOM 513 CB CYS A 34 -0.244 -8.211 -3.842 1.00 0.00 C ATOM 514 SG CYS A 34 1.194 -8.990 -3.067 1.00 0.00 S ATOM 0 H CYS A 34 -0.374 -9.414 -6.307 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.471 -9.991 -3.548 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.074 -7.579 -4.672 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.752 -7.565 -3.126 1.00 0.00 H new ATOM 519 N LYS A 35 -3.362 -8.257 -3.955 1.00 0.00 N ATOM 520 CA LYS A 35 -4.661 -7.657 -4.382 1.00 0.00 C ATOM 521 C LYS A 35 -4.840 -6.244 -3.809 1.00 0.00 C ATOM 522 O LYS A 35 -4.964 -6.059 -2.614 1.00 0.00 O ATOM 523 CB LYS A 35 -5.730 -8.600 -3.828 1.00 0.00 C ATOM 524 CG LYS A 35 -7.087 -8.264 -4.456 1.00 0.00 C ATOM 525 CD LYS A 35 -7.946 -9.530 -4.542 1.00 0.00 C ATOM 526 CE LYS A 35 -8.712 -9.545 -5.870 1.00 0.00 C ATOM 527 NZ LYS A 35 -10.005 -8.854 -5.590 1.00 0.00 N ATOM 0 H LYS A 35 -3.216 -8.303 -2.946 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.719 -7.553 -5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.464 -9.635 -4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.786 -8.505 -2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.597 -7.507 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.943 -7.842 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.315 -10.415 -4.465 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.646 -9.564 -3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.153 -9.031 -6.652 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.879 -10.565 -6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.331 -8.367 -6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.716 -9.554 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.869 -8.159 -4.828 1.00 0.00 H new ATOM 541 N PHE A 36 -4.879 -5.257 -4.668 1.00 0.00 N ATOM 542 CA PHE A 36 -5.081 -3.845 -4.215 1.00 0.00 C ATOM 543 C PHE A 36 -6.421 -3.345 -4.779 1.00 0.00 C ATOM 544 O PHE A 36 -6.639 -3.376 -5.975 1.00 0.00 O ATOM 545 CB PHE A 36 -3.894 -3.073 -4.812 1.00 0.00 C ATOM 546 CG PHE A 36 -3.980 -1.585 -4.503 1.00 0.00 C ATOM 547 CD1 PHE A 36 -4.851 -1.099 -3.516 1.00 0.00 C ATOM 548 CD2 PHE A 36 -3.176 -0.687 -5.220 1.00 0.00 C ATOM 549 CE1 PHE A 36 -4.916 0.274 -3.252 1.00 0.00 C ATOM 550 CE2 PHE A 36 -3.243 0.684 -4.953 1.00 0.00 C ATOM 551 CZ PHE A 36 -4.113 1.165 -3.970 1.00 0.00 C ATOM 0 H PHE A 36 -4.778 -5.370 -5.677 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.118 -3.726 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.962 -3.474 -4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.870 -3.220 -5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.472 -1.785 -2.959 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.503 -1.055 -5.980 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.588 0.646 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.622 1.372 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.165 2.224 -3.765 1.00 0.00 H new ATOM 561 N THR A 37 -7.331 -2.917 -3.938 1.00 0.00 N ATOM 562 CA THR A 37 -8.660 -2.458 -4.457 1.00 0.00 C ATOM 563 C THR A 37 -9.176 -1.217 -3.714 1.00 0.00 C ATOM 564 O THR A 37 -8.790 -0.935 -2.593 1.00 0.00 O ATOM 565 CB THR A 37 -9.609 -3.643 -4.227 1.00 0.00 C ATOM 566 OG1 THR A 37 -9.299 -4.277 -2.990 1.00 0.00 O ATOM 567 CG2 THR A 37 -9.458 -4.652 -5.367 1.00 0.00 C ATOM 0 H THR A 37 -7.215 -2.865 -2.926 1.00 0.00 H new ATOM 0 HA THR A 37 -8.588 -2.169 -5.506 1.00 0.00 H new ATOM 0 HB THR A 37 -10.635 -3.277 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.908 -5.031 -2.847 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.133 -5.492 -5.201 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.703 -4.171 -6.314 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.430 -5.013 -5.399 1.00 0.00 H new ATOM 575 N VAL A 38 -10.068 -0.487 -4.343 1.00 0.00 N ATOM 576 CA VAL A 38 -10.651 0.734 -3.708 1.00 0.00 C ATOM 577 C VAL A 38 -12.186 0.684 -3.791 1.00 0.00 C ATOM 578 O VAL A 38 -12.748 0.157 -4.734 1.00 0.00 O ATOM 579 CB VAL A 38 -10.086 1.916 -4.512 1.00 0.00 C ATOM 580 CG1 VAL A 38 -10.709 1.955 -5.913 1.00 0.00 C ATOM 581 CG2 VAL A 38 -10.399 3.225 -3.783 1.00 0.00 C ATOM 0 H VAL A 38 -10.419 -0.689 -5.279 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.397 0.819 -2.651 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.007 1.793 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.299 2.797 -6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.482 1.027 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -11.790 2.068 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.999 4.064 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.479 3.337 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.943 3.208 -2.793 1.00 0.00 H new ATOM 591 N LYS A 39 -12.870 1.223 -2.810 1.00 0.00 N ATOM 592 CA LYS A 39 -14.366 1.198 -2.837 1.00 0.00 C ATOM 593 C LYS A 39 -14.944 2.383 -2.046 1.00 0.00 C ATOM 594 O LYS A 39 -14.839 2.426 -0.835 1.00 0.00 O ATOM 595 CB LYS A 39 -14.753 -0.131 -2.177 1.00 0.00 C ATOM 596 CG LYS A 39 -15.912 -0.772 -2.949 1.00 0.00 C ATOM 597 CD LYS A 39 -15.357 -1.712 -4.025 1.00 0.00 C ATOM 598 CE LYS A 39 -15.946 -1.338 -5.391 1.00 0.00 C ATOM 599 NZ LYS A 39 -17.206 -2.133 -5.507 1.00 0.00 N ATOM 0 H LYS A 39 -12.458 1.677 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.757 1.281 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.896 -0.804 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.043 0.038 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.555 -1.326 -2.265 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.527 0.001 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.270 -1.643 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.605 -2.745 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.148 -0.269 -5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.253 -1.579 -6.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.663 -1.928 -6.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.983 -3.147 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.850 -1.878 -4.731 1.00 0.00 H new ATOM 613 N PRO A 40 -15.541 3.310 -2.762 1.00 0.00 N ATOM 614 CA PRO A 40 -16.146 4.501 -2.114 1.00 0.00 C ATOM 615 C PRO A 40 -17.523 4.158 -1.525 1.00 0.00 C ATOM 616 O PRO A 40 -18.169 3.212 -1.939 1.00 0.00 O ATOM 617 CB PRO A 40 -16.297 5.494 -3.261 1.00 0.00 C ATOM 618 CG PRO A 40 -16.385 4.659 -4.502 1.00 0.00 C ATOM 619 CD PRO A 40 -15.699 3.343 -4.223 1.00 0.00 C ATOM 0 HA PRO A 40 -15.544 4.884 -1.290 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -17.190 6.106 -3.135 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -15.447 6.175 -3.305 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.426 4.496 -4.779 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.908 5.168 -5.340 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -16.296 2.502 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.735 3.284 -4.728 1.00 0.00 H new ATOM 627 N TYR A 41 -17.979 4.934 -0.572 1.00 0.00 N ATOM 628 CA TYR A 41 -19.318 4.678 0.042 1.00 0.00 C ATOM 629 C TYR A 41 -20.168 5.946 -0.024 1.00 0.00 C ATOM 630 O TYR A 41 -19.760 6.955 -0.571 1.00 0.00 O ATOM 631 CB TYR A 41 -19.052 4.307 1.505 1.00 0.00 C ATOM 632 CG TYR A 41 -17.945 3.280 1.602 1.00 0.00 C ATOM 633 CD1 TYR A 41 -18.056 2.061 0.920 1.00 0.00 C ATOM 634 CD2 TYR A 41 -16.810 3.550 2.375 1.00 0.00 C ATOM 635 CE1 TYR A 41 -17.030 1.115 1.012 1.00 0.00 C ATOM 636 CE2 TYR A 41 -15.787 2.602 2.467 1.00 0.00 C ATOM 637 CZ TYR A 41 -15.895 1.385 1.785 1.00 0.00 C ATOM 638 OH TYR A 41 -14.881 0.452 1.874 1.00 0.00 O ATOM 0 H TYR A 41 -17.478 5.737 -0.192 1.00 0.00 H new ATOM 0 HA TYR A 41 -19.853 3.886 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -18.778 5.199 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.962 3.912 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.932 1.852 0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -16.725 4.490 2.900 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.114 0.175 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.912 2.809 3.065 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.295 0.530 1.092 1.00 0.00 H new ATOM 648 N LEU A 42 -21.345 5.901 0.538 1.00 0.00 N ATOM 649 CA LEU A 42 -22.228 7.101 0.521 1.00 0.00 C ATOM 650 C LEU A 42 -23.022 7.211 1.824 1.00 0.00 C ATOM 651 O LEU A 42 -23.460 6.225 2.388 1.00 0.00 O ATOM 652 CB LEU A 42 -23.172 6.893 -0.663 1.00 0.00 C ATOM 653 CG LEU A 42 -23.565 8.253 -1.246 1.00 0.00 C ATOM 654 CD1 LEU A 42 -23.360 8.243 -2.761 1.00 0.00 C ATOM 655 CD2 LEU A 42 -25.036 8.538 -0.932 1.00 0.00 C ATOM 0 H LEU A 42 -21.733 5.084 1.009 1.00 0.00 H new ATOM 0 HA LEU A 42 -21.652 8.022 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -22.687 6.284 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -24.062 6.352 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 42 -22.941 9.029 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -23.641 9.212 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -22.312 8.043 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -23.981 7.466 -3.207 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -25.316 9.506 -1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -25.659 7.760 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -25.182 8.551 0.148 1.00 0.00 H new ATOM 667 N LYS A 43 -23.217 8.414 2.291 1.00 0.00 N ATOM 668 CA LYS A 43 -23.985 8.641 3.548 1.00 0.00 C ATOM 669 C LYS A 43 -25.228 9.480 3.239 1.00 0.00 C ATOM 670 O LYS A 43 -25.441 9.880 2.109 1.00 0.00 O ATOM 671 CB LYS A 43 -23.022 9.410 4.461 1.00 0.00 C ATOM 672 CG LYS A 43 -23.277 9.033 5.925 1.00 0.00 C ATOM 673 CD LYS A 43 -22.424 7.817 6.302 1.00 0.00 C ATOM 674 CE LYS A 43 -23.248 6.859 7.174 1.00 0.00 C ATOM 675 NZ LYS A 43 -23.153 7.404 8.562 1.00 0.00 N ATOM 0 H LYS A 43 -22.870 9.264 1.846 1.00 0.00 H new ATOM 0 HA LYS A 43 -24.327 7.716 4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.991 9.181 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -23.156 10.483 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -23.035 9.874 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -24.333 8.809 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -22.085 7.305 5.401 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.532 8.139 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.284 6.816 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.854 5.844 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -23.694 6.797 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -22.156 7.426 8.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.542 8.368 8.584 1.00 0.00 H new ATOM 689 N ARG A 44 -26.046 9.742 4.233 1.00 0.00 N ATOM 690 CA ARG A 44 -27.293 10.553 4.019 1.00 0.00 C ATOM 691 C ARG A 44 -27.032 11.758 3.102 1.00 0.00 C ATOM 692 O ARG A 44 -27.868 12.117 2.295 1.00 0.00 O ATOM 693 CB ARG A 44 -27.710 11.026 5.415 1.00 0.00 C ATOM 694 CG ARG A 44 -28.393 9.879 6.172 1.00 0.00 C ATOM 695 CD ARG A 44 -29.756 9.571 5.537 1.00 0.00 C ATOM 696 NE ARG A 44 -30.619 10.742 5.868 1.00 0.00 N ATOM 697 CZ ARG A 44 -31.427 11.234 4.968 1.00 0.00 C ATOM 698 NH1 ARG A 44 -30.952 11.966 3.994 1.00 0.00 N ATOM 699 NH2 ARG A 44 -32.711 10.991 5.041 1.00 0.00 N ATOM 0 H ARG A 44 -25.903 9.426 5.192 1.00 0.00 H new ATOM 0 HA ARG A 44 -28.069 9.963 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -26.836 11.369 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -28.389 11.875 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -27.762 8.990 6.149 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -28.523 10.150 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -29.667 9.441 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -30.176 8.648 5.936 1.00 0.00 H new ATOM 0 HE ARG A 44 -30.578 11.159 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -29.951 12.152 3.938 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -31.583 12.351 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -33.079 10.418 5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -33.343 11.375 4.339 1.00 0.00 H new ATOM 713 N PHE A 45 -25.879 12.376 3.213 1.00 0.00 N ATOM 714 CA PHE A 45 -25.565 13.548 2.339 1.00 0.00 C ATOM 715 C PHE A 45 -24.043 13.733 2.207 1.00 0.00 C ATOM 716 O PHE A 45 -23.548 14.845 2.201 1.00 0.00 O ATOM 717 CB PHE A 45 -26.199 14.754 3.047 1.00 0.00 C ATOM 718 CG PHE A 45 -27.345 15.286 2.217 1.00 0.00 C ATOM 719 CD1 PHE A 45 -27.095 15.865 0.966 1.00 0.00 C ATOM 720 CD2 PHE A 45 -28.657 15.202 2.699 1.00 0.00 C ATOM 721 CE1 PHE A 45 -28.158 16.358 0.199 1.00 0.00 C ATOM 722 CE2 PHE A 45 -29.719 15.695 1.932 1.00 0.00 C ATOM 723 CZ PHE A 45 -29.470 16.272 0.682 1.00 0.00 C ATOM 0 H PHE A 45 -25.144 12.118 3.871 1.00 0.00 H new ATOM 0 HA PHE A 45 -25.951 13.420 1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -26.557 14.462 4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -25.453 15.534 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -26.083 15.931 0.593 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -28.850 14.756 3.664 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -27.966 16.805 -0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -30.730 15.630 2.305 1.00 0.00 H new ATOM 0 HZ PHE A 45 -30.289 16.651 0.089 1.00 0.00 H new ATOM 733 N GLN A 46 -23.296 12.656 2.096 1.00 0.00 N ATOM 734 CA GLN A 46 -21.808 12.789 1.964 1.00 0.00 C ATOM 735 C GLN A 46 -21.196 11.550 1.301 1.00 0.00 C ATOM 736 O GLN A 46 -21.524 10.429 1.637 1.00 0.00 O ATOM 737 CB GLN A 46 -21.289 12.926 3.398 1.00 0.00 C ATOM 738 CG GLN A 46 -20.959 14.392 3.689 1.00 0.00 C ATOM 739 CD GLN A 46 -20.135 14.488 4.975 1.00 0.00 C ATOM 740 OE1 GLN A 46 -19.027 13.993 5.039 1.00 0.00 O ATOM 741 NE2 GLN A 46 -20.630 15.109 6.011 1.00 0.00 N ATOM 0 H GLN A 46 -23.650 11.699 2.091 1.00 0.00 H new ATOM 0 HA GLN A 46 -21.540 13.641 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -22.039 12.565 4.102 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -20.401 12.309 3.534 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -20.403 14.822 2.856 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -21.878 14.969 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -21.560 15.525 5.960 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -20.087 15.178 6.872 1.00 0.00 H new ATOM 750 N VAL A 47 -20.293 11.748 0.376 1.00 0.00 N ATOM 751 CA VAL A 47 -19.635 10.588 -0.303 1.00 0.00 C ATOM 752 C VAL A 47 -18.273 10.326 0.352 1.00 0.00 C ATOM 753 O VAL A 47 -17.447 11.214 0.454 1.00 0.00 O ATOM 754 CB VAL A 47 -19.466 11.010 -1.767 1.00 0.00 C ATOM 755 CG1 VAL A 47 -18.757 9.897 -2.543 1.00 0.00 C ATOM 756 CG2 VAL A 47 -20.842 11.263 -2.392 1.00 0.00 C ATOM 0 H VAL A 47 -19.981 12.666 0.059 1.00 0.00 H new ATOM 0 HA VAL A 47 -20.218 9.670 -0.225 1.00 0.00 H new ATOM 0 HB VAL A 47 -18.872 11.923 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -18.637 10.198 -3.584 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.777 9.714 -2.103 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -19.352 8.985 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -20.719 11.563 -3.433 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -21.436 10.351 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -21.351 12.056 -1.844 1.00 0.00 H new ATOM 766 N TYR A 48 -18.041 9.120 0.806 1.00 0.00 N ATOM 767 CA TYR A 48 -16.737 8.803 1.468 1.00 0.00 C ATOM 768 C TYR A 48 -15.869 7.923 0.561 1.00 0.00 C ATOM 769 O TYR A 48 -16.354 7.294 -0.362 1.00 0.00 O ATOM 770 CB TYR A 48 -17.113 8.056 2.750 1.00 0.00 C ATOM 771 CG TYR A 48 -17.563 9.048 3.801 1.00 0.00 C ATOM 772 CD1 TYR A 48 -16.618 9.675 4.621 1.00 0.00 C ATOM 773 CD2 TYR A 48 -18.925 9.342 3.951 1.00 0.00 C ATOM 774 CE1 TYR A 48 -17.033 10.595 5.592 1.00 0.00 C ATOM 775 CE2 TYR A 48 -19.340 10.262 4.921 1.00 0.00 C ATOM 776 CZ TYR A 48 -18.395 10.887 5.742 1.00 0.00 C ATOM 777 OH TYR A 48 -18.803 11.794 6.696 1.00 0.00 O ATOM 0 H TYR A 48 -18.697 8.341 0.747 1.00 0.00 H new ATOM 0 HA TYR A 48 -16.155 9.701 1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -17.909 7.340 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -16.258 7.486 3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -15.568 9.449 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -19.655 8.859 3.318 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -16.304 11.079 6.225 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -20.390 10.489 5.036 1.00 0.00 H new ATOM 0 HH TYR A 48 -18.938 12.670 6.278 1.00 0.00 H new ATOM 787 N TYR A 49 -14.584 7.874 0.818 1.00 0.00 N ATOM 788 CA TYR A 49 -13.678 7.040 -0.025 1.00 0.00 C ATOM 789 C TYR A 49 -12.816 6.124 0.853 1.00 0.00 C ATOM 790 O TYR A 49 -12.383 6.501 1.925 1.00 0.00 O ATOM 791 CB TYR A 49 -12.801 8.044 -0.781 1.00 0.00 C ATOM 792 CG TYR A 49 -13.135 7.998 -2.253 1.00 0.00 C ATOM 793 CD1 TYR A 49 -14.300 8.612 -2.727 1.00 0.00 C ATOM 794 CD2 TYR A 49 -12.278 7.340 -3.144 1.00 0.00 C ATOM 795 CE1 TYR A 49 -14.608 8.569 -4.092 1.00 0.00 C ATOM 796 CE2 TYR A 49 -12.586 7.297 -4.508 1.00 0.00 C ATOM 797 CZ TYR A 49 -13.751 7.911 -4.982 1.00 0.00 C ATOM 798 OH TYR A 49 -14.056 7.867 -6.329 1.00 0.00 O ATOM 0 H TYR A 49 -14.125 8.377 1.577 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.233 6.391 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.963 9.049 -0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.748 7.809 -0.629 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -14.961 9.119 -2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -11.379 6.866 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -15.506 9.043 -4.458 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.925 6.790 -5.195 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.357 7.373 -6.807 1.00 0.00 H new ATOM 808 N LYS A 50 -12.564 4.922 0.401 1.00 0.00 N ATOM 809 CA LYS A 50 -11.731 3.976 1.201 1.00 0.00 C ATOM 810 C LYS A 50 -11.052 2.959 0.279 1.00 0.00 C ATOM 811 O LYS A 50 -11.566 2.623 -0.769 1.00 0.00 O ATOM 812 CB LYS A 50 -12.718 3.276 2.139 1.00 0.00 C ATOM 813 CG LYS A 50 -12.021 2.112 2.849 1.00 0.00 C ATOM 814 CD LYS A 50 -12.646 1.894 4.227 1.00 0.00 C ATOM 815 CE LYS A 50 -11.662 1.119 5.107 1.00 0.00 C ATOM 816 NZ LYS A 50 -12.341 0.964 6.426 1.00 0.00 N ATOM 0 H LYS A 50 -12.900 4.555 -0.489 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.938 4.485 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.102 3.985 2.873 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.574 2.909 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.110 1.204 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.956 2.322 2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.887 2.853 4.687 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.581 1.342 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.426 0.148 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.721 1.658 5.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.721 0.441 7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.546 1.903 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.230 0.440 6.299 1.00 0.00 H new ATOM 830 N GLY A 51 -9.904 2.463 0.666 1.00 0.00 N ATOM 831 CA GLY A 51 -9.198 1.464 -0.183 1.00 0.00 C ATOM 832 C GLY A 51 -8.409 0.493 0.696 1.00 0.00 C ATOM 833 O GLY A 51 -7.953 0.842 1.771 1.00 0.00 O ATOM 0 H GLY A 51 -9.427 2.709 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.919 0.915 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.524 1.972 -0.873 1.00 0.00 H new ATOM 837 N ARG A 52 -8.245 -0.724 0.242 1.00 0.00 N ATOM 838 CA ARG A 52 -7.485 -1.732 1.037 1.00 0.00 C ATOM 839 C ARG A 52 -6.660 -2.629 0.107 1.00 0.00 C ATOM 840 O ARG A 52 -7.081 -2.954 -0.988 1.00 0.00 O ATOM 841 CB ARG A 52 -8.551 -2.557 1.764 1.00 0.00 C ATOM 842 CG ARG A 52 -7.879 -3.709 2.521 1.00 0.00 C ATOM 843 CD ARG A 52 -8.695 -4.054 3.770 1.00 0.00 C ATOM 844 NE ARG A 52 -9.592 -5.168 3.348 1.00 0.00 N ATOM 845 CZ ARG A 52 -10.873 -5.106 3.594 1.00 0.00 C ATOM 846 NH1 ARG A 52 -11.600 -4.171 3.039 1.00 0.00 N ATOM 847 NH2 ARG A 52 -11.425 -5.975 4.400 1.00 0.00 N ATOM 0 H ARG A 52 -8.607 -1.063 -0.649 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.788 -1.264 1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.104 -1.925 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.272 -2.950 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.799 -4.583 1.875 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.865 -3.428 2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.048 -4.358 4.593 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.269 -3.195 4.117 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.204 -5.979 2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.166 -3.491 2.415 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.601 -4.122 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.855 -6.700 4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.425 -5.928 4.593 1.00 0.00 H new ATOM 861 N MET A 53 -5.492 -3.039 0.540 1.00 0.00 N ATOM 862 CA MET A 53 -4.649 -3.926 -0.316 1.00 0.00 C ATOM 863 C MET A 53 -3.891 -4.948 0.539 1.00 0.00 C ATOM 864 O MET A 53 -3.506 -4.681 1.664 1.00 0.00 O ATOM 865 CB MET A 53 -3.685 -2.994 -1.063 1.00 0.00 C ATOM 866 CG MET A 53 -2.555 -2.523 -0.140 1.00 0.00 C ATOM 867 SD MET A 53 -1.047 -3.449 -0.526 1.00 0.00 S ATOM 868 CE MET A 53 -0.485 -2.418 -1.903 1.00 0.00 C ATOM 0 H MET A 53 -5.089 -2.798 1.445 1.00 0.00 H new ATOM 0 HA MET A 53 -5.254 -4.505 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.264 -3.514 -1.924 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.230 -2.132 -1.446 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.384 -1.455 -0.271 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.833 -2.676 0.903 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.687 -2.928 -2.845 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.015 -1.466 -1.885 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.586 -2.238 -1.810 1.00 0.00 H new ATOM 878 N TRP A 54 -3.679 -6.117 -0.001 1.00 0.00 N ATOM 879 CA TRP A 54 -2.949 -7.187 0.748 1.00 0.00 C ATOM 880 C TRP A 54 -2.283 -8.157 -0.234 1.00 0.00 C ATOM 881 O TRP A 54 -2.213 -7.895 -1.419 1.00 0.00 O ATOM 882 CB TRP A 54 -4.020 -7.906 1.585 1.00 0.00 C ATOM 883 CG TRP A 54 -5.091 -8.463 0.694 1.00 0.00 C ATOM 884 CD1 TRP A 54 -5.081 -9.699 0.138 1.00 0.00 C ATOM 885 CD2 TRP A 54 -6.325 -7.827 0.249 1.00 0.00 C ATOM 886 NE1 TRP A 54 -6.230 -9.861 -0.614 1.00 0.00 N ATOM 887 CE2 TRP A 54 -7.029 -8.735 -0.576 1.00 0.00 C ATOM 888 CE3 TRP A 54 -6.896 -6.563 0.483 1.00 0.00 C ATOM 889 CZ2 TRP A 54 -8.257 -8.399 -1.150 1.00 0.00 C ATOM 890 CZ3 TRP A 54 -8.129 -6.222 -0.093 1.00 0.00 C ATOM 891 CH2 TRP A 54 -8.809 -7.138 -0.908 1.00 0.00 C ATOM 0 H TRP A 54 -3.982 -6.382 -0.938 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.158 -6.780 1.378 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.562 -8.710 2.161 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.458 -7.211 2.301 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.302 -10.437 0.262 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.459 -10.708 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -6.382 -5.850 1.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.777 -9.109 -1.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -8.557 -5.248 0.093 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -9.758 -6.870 -1.348 1.00 0.00 H new ATOM 902 N CYS A 55 -1.791 -9.273 0.245 1.00 0.00 N ATOM 903 CA CYS A 55 -1.132 -10.247 -0.671 1.00 0.00 C ATOM 904 C CYS A 55 -1.616 -11.676 -0.389 1.00 0.00 C ATOM 905 O CYS A 55 -1.060 -12.365 0.447 1.00 0.00 O ATOM 906 CB CYS A 55 0.364 -10.116 -0.387 1.00 0.00 C ATOM 907 SG CYS A 55 0.987 -8.575 -1.102 1.00 0.00 S ATOM 0 H CYS A 55 -1.818 -9.548 1.227 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.367 -10.043 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.542 -10.128 0.688 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.900 -10.967 -0.808 1.00 0.00 H new ATOM 912 N PRO A 56 -2.638 -12.081 -1.110 1.00 0.00 N ATOM 913 CA PRO A 56 -3.193 -13.451 -0.949 1.00 0.00 C ATOM 914 C PRO A 56 -2.233 -14.485 -1.561 1.00 0.00 C ATOM 915 O PRO A 56 -2.418 -14.938 -2.677 1.00 0.00 O ATOM 916 CB PRO A 56 -4.513 -13.396 -1.718 1.00 0.00 C ATOM 917 CG PRO A 56 -4.332 -12.304 -2.723 1.00 0.00 C ATOM 918 CD PRO A 56 -3.367 -11.312 -2.128 1.00 0.00 C ATOM 0 HA PRO A 56 -3.331 -13.745 0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.726 -14.348 -2.204 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -5.349 -13.184 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.945 -12.703 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.285 -11.826 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.691 -10.912 -2.884 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.890 -10.464 -1.687 1.00 0.00 H new ATOM 926 N GLY A 57 -1.206 -14.851 -0.835 1.00 0.00 N ATOM 927 CA GLY A 57 -0.221 -15.843 -1.357 1.00 0.00 C ATOM 928 C GLY A 57 1.168 -15.548 -0.773 1.00 0.00 C ATOM 929 O GLY A 57 1.881 -16.447 -0.368 1.00 0.00 O ATOM 0 H GLY A 57 -1.008 -14.502 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.531 -16.853 -1.090 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.186 -15.797 -2.445 1.00 0.00 H new ATOM 933 N TRP A 58 1.553 -14.294 -0.729 1.00 0.00 N ATOM 934 CA TRP A 58 2.894 -13.934 -0.172 1.00 0.00 C ATOM 935 C TRP A 58 2.888 -14.053 1.355 1.00 0.00 C ATOM 936 O TRP A 58 3.730 -14.711 1.937 1.00 0.00 O ATOM 937 CB TRP A 58 3.125 -12.476 -0.592 1.00 0.00 C ATOM 938 CG TRP A 58 4.501 -12.032 -0.191 1.00 0.00 C ATOM 939 CD1 TRP A 58 5.589 -12.834 -0.099 1.00 0.00 C ATOM 940 CD2 TRP A 58 4.951 -10.694 0.175 1.00 0.00 C ATOM 941 NE1 TRP A 58 6.674 -12.073 0.296 1.00 0.00 N ATOM 942 CE2 TRP A 58 6.331 -10.748 0.479 1.00 0.00 C ATOM 943 CE3 TRP A 58 4.300 -9.451 0.270 1.00 0.00 C ATOM 944 CZ2 TRP A 58 7.042 -9.612 0.863 1.00 0.00 C ATOM 945 CZ3 TRP A 58 5.013 -8.304 0.657 1.00 0.00 C ATOM 946 CH2 TRP A 58 6.382 -8.385 0.952 1.00 0.00 C ATOM 0 H TRP A 58 0.995 -13.505 -1.055 1.00 0.00 H new ATOM 0 HA TRP A 58 3.679 -14.595 -0.539 1.00 0.00 H new ATOM 0 HB2 TRP A 58 3.003 -12.377 -1.671 1.00 0.00 H new ATOM 0 HB3 TRP A 58 2.378 -11.833 -0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 58 5.606 -13.895 -0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 58 7.613 -12.445 0.435 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.246 -9.378 0.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.096 -9.681 1.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 4.504 -7.354 0.728 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.925 -7.499 1.248 1.00 0.00 H new ATOM 957 N THR A 59 1.948 -13.415 2.005 1.00 0.00 N ATOM 958 CA THR A 59 1.881 -13.476 3.494 1.00 0.00 C ATOM 959 C THR A 59 0.436 -13.249 3.965 1.00 0.00 C ATOM 960 O THR A 59 -0.492 -13.264 3.178 1.00 0.00 O ATOM 961 CB THR A 59 2.816 -12.355 3.979 1.00 0.00 C ATOM 962 OG1 THR A 59 2.815 -12.312 5.401 1.00 0.00 O ATOM 963 CG2 THR A 59 2.350 -11.004 3.424 1.00 0.00 C ATOM 0 H THR A 59 1.221 -12.852 1.564 1.00 0.00 H new ATOM 0 HA THR A 59 2.185 -14.445 3.891 1.00 0.00 H new ATOM 0 HB THR A 59 3.826 -12.557 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.344 -11.508 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.019 -10.217 3.773 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.363 -11.034 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.337 -10.799 3.769 1.00 0.00 H new ATOM 971 N ALA A 60 0.245 -13.036 5.240 1.00 0.00 N ATOM 972 CA ALA A 60 -1.133 -12.809 5.774 1.00 0.00 C ATOM 973 C ALA A 60 -1.237 -11.415 6.412 1.00 0.00 C ATOM 974 O ALA A 60 -1.785 -11.252 7.486 1.00 0.00 O ATOM 975 CB ALA A 60 -1.334 -13.907 6.823 1.00 0.00 C ATOM 0 H ALA A 60 0.987 -13.009 5.939 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.893 -12.850 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.326 -13.811 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.241 -14.884 6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.578 -13.808 7.602 1.00 0.00 H new ATOM 981 N ILE A 61 -0.724 -10.409 5.748 1.00 0.00 N ATOM 982 CA ILE A 61 -0.791 -9.021 6.301 1.00 0.00 C ATOM 983 C ILE A 61 -1.609 -8.132 5.354 1.00 0.00 C ATOM 984 O ILE A 61 -1.747 -8.426 4.180 1.00 0.00 O ATOM 985 CB ILE A 61 0.670 -8.555 6.381 1.00 0.00 C ATOM 986 CG1 ILE A 61 1.393 -9.341 7.481 1.00 0.00 C ATOM 987 CG2 ILE A 61 0.727 -7.060 6.709 1.00 0.00 C ATOM 988 CD1 ILE A 61 2.906 -9.211 7.299 1.00 0.00 C ATOM 0 H ILE A 61 -0.260 -10.490 4.843 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.275 -8.974 7.277 1.00 0.00 H new ATOM 0 HB ILE A 61 1.154 -8.730 5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.101 -8.965 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.101 -10.391 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.767 -6.739 6.764 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.214 -6.497 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.241 -6.879 7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.416 -9.771 8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.191 -9.609 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.191 -8.161 7.360 1.00 0.00 H new ATOM 1000 N ARG A 62 -2.164 -7.056 5.856 1.00 0.00 N ATOM 1001 CA ARG A 62 -2.981 -6.162 4.981 1.00 0.00 C ATOM 1002 C ARG A 62 -2.834 -4.694 5.392 1.00 0.00 C ATOM 1003 O ARG A 62 -2.345 -4.376 6.463 1.00 0.00 O ATOM 1004 CB ARG A 62 -4.435 -6.620 5.152 1.00 0.00 C ATOM 1005 CG ARG A 62 -4.733 -6.942 6.622 1.00 0.00 C ATOM 1006 CD ARG A 62 -6.093 -7.640 6.727 1.00 0.00 C ATOM 1007 NE ARG A 62 -5.791 -8.999 7.263 1.00 0.00 N ATOM 1008 CZ ARG A 62 -5.608 -10.002 6.444 1.00 0.00 C ATOM 1009 NH1 ARG A 62 -6.629 -10.529 5.821 1.00 0.00 N ATOM 1010 NH2 ARG A 62 -4.404 -10.472 6.248 1.00 0.00 N ATOM 0 H ARG A 62 -2.087 -6.760 6.829 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.653 -6.228 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.111 -5.840 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.619 -7.501 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.951 -7.582 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.736 -6.026 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.766 -7.095 7.389 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.582 -7.699 5.755 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.727 -9.146 8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.567 -10.158 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.488 -11.311 5.182 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.609 -10.056 6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.260 -11.254 5.610 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.267 -3.804 4.540 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.180 -2.347 4.845 1.00 0.00 C ATOM 1026 C GLY A 63 -4.308 -1.614 4.119 1.00 0.00 C ATOM 1027 O GLY A 63 -4.479 -1.754 2.922 1.00 0.00 O ATOM 0 H GLY A 63 -3.682 -4.027 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.256 -2.183 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.213 -1.954 4.530 1.00 0.00 H new ATOM 1031 N GLU A 64 -5.073 -0.837 4.837 1.00 0.00 N ATOM 1032 CA GLU A 64 -6.199 -0.092 4.204 1.00 0.00 C ATOM 1033 C GLU A 64 -6.379 1.278 4.865 1.00 0.00 C ATOM 1034 O GLU A 64 -5.922 1.511 5.967 1.00 0.00 O ATOM 1035 CB GLU A 64 -7.437 -0.969 4.425 1.00 0.00 C ATOM 1036 CG GLU A 64 -7.696 -1.163 5.925 1.00 0.00 C ATOM 1037 CD GLU A 64 -9.084 -0.624 6.279 1.00 0.00 C ATOM 1038 OE1 GLU A 64 -10.044 -1.356 6.105 1.00 0.00 O ATOM 1039 OE2 GLU A 64 -9.163 0.511 6.718 1.00 0.00 O ATOM 0 H GLU A 64 -4.966 -0.686 5.840 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.019 0.096 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.306 -0.507 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.294 -1.938 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.628 -2.220 6.182 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.934 -0.644 6.506 1.00 0.00 H new ATOM 1046 N ALA A 65 -7.041 2.183 4.191 1.00 0.00 N ATOM 1047 CA ALA A 65 -7.254 3.543 4.772 1.00 0.00 C ATOM 1048 C ALA A 65 -8.534 4.181 4.217 1.00 0.00 C ATOM 1049 O ALA A 65 -9.074 3.749 3.214 1.00 0.00 O ATOM 1050 CB ALA A 65 -6.025 4.346 4.346 1.00 0.00 C ATOM 0 H ALA A 65 -7.443 2.040 3.265 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.372 3.510 5.855 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.102 5.362 4.733 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.126 3.874 4.743 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.969 4.376 3.258 1.00 0.00 H new ATOM 1056 N SER A 66 -9.018 5.214 4.866 1.00 0.00 N ATOM 1057 CA SER A 66 -10.262 5.899 4.388 1.00 0.00 C ATOM 1058 C SER A 66 -10.127 7.416 4.553 1.00 0.00 C ATOM 1059 O SER A 66 -9.573 7.894 5.526 1.00 0.00 O ATOM 1060 CB SER A 66 -11.403 5.376 5.270 1.00 0.00 C ATOM 1061 OG SER A 66 -11.131 4.041 5.685 1.00 0.00 O ATOM 0 H SER A 66 -8.604 5.613 5.708 1.00 0.00 H new ATOM 0 HA SER A 66 -10.446 5.697 3.333 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.522 6.019 6.142 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.343 5.409 4.719 1.00 0.00 H new ATOM 0 HG SER A 66 -11.777 3.774 6.372 1.00 0.00 H new ATOM 1067 N THR A 67 -10.634 8.174 3.613 1.00 0.00 N ATOM 1068 CA THR A 67 -10.543 9.668 3.707 1.00 0.00 C ATOM 1069 C THR A 67 -11.356 10.326 2.581 1.00 0.00 C ATOM 1070 O THR A 67 -11.807 9.668 1.663 1.00 0.00 O ATOM 1071 CB THR A 67 -9.047 9.996 3.560 1.00 0.00 C ATOM 1072 OG1 THR A 67 -8.852 11.397 3.699 1.00 0.00 O ATOM 1073 CG2 THR A 67 -8.542 9.542 2.186 1.00 0.00 C ATOM 0 H THR A 67 -11.109 7.824 2.781 1.00 0.00 H new ATOM 0 HA THR A 67 -10.947 10.043 4.648 1.00 0.00 H new ATOM 0 HB THR A 67 -8.489 9.471 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.899 11.605 3.607 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.482 9.779 2.092 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.684 8.466 2.083 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.100 10.058 1.405 1.00 0.00 H new ATOM 1081 N ARG A 68 -11.535 11.625 2.645 1.00 0.00 N ATOM 1082 CA ARG A 68 -12.307 12.333 1.575 1.00 0.00 C ATOM 1083 C ARG A 68 -11.569 12.233 0.233 1.00 0.00 C ATOM 1084 O ARG A 68 -12.179 12.131 -0.814 1.00 0.00 O ATOM 1085 CB ARG A 68 -12.410 13.794 2.041 1.00 0.00 C ATOM 1086 CG ARG A 68 -11.047 14.494 1.948 1.00 0.00 C ATOM 1087 CD ARG A 68 -11.225 15.994 2.213 1.00 0.00 C ATOM 1088 NE ARG A 68 -11.464 16.599 0.871 1.00 0.00 N ATOM 1089 CZ ARG A 68 -12.681 16.876 0.483 1.00 0.00 C ATOM 1090 NH1 ARG A 68 -13.255 17.983 0.880 1.00 0.00 N ATOM 1091 NH2 ARG A 68 -13.323 16.048 -0.300 1.00 0.00 N ATOM 0 H ARG A 68 -11.180 12.224 3.391 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.293 11.895 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.139 14.325 1.429 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.772 13.828 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -10.355 14.065 2.673 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -10.612 14.337 0.961 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.064 16.179 2.884 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.339 16.419 2.685 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.676 16.797 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.753 18.627 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.205 18.202 0.579 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.874 15.186 -0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -14.273 16.265 -0.602 1.00 0.00 H new ATOM 1105 N SER A 69 -10.261 12.258 0.269 1.00 0.00 N ATOM 1106 CA SER A 69 -9.455 12.162 -0.990 1.00 0.00 C ATOM 1107 C SER A 69 -9.769 10.859 -1.739 1.00 0.00 C ATOM 1108 O SER A 69 -10.168 9.870 -1.151 1.00 0.00 O ATOM 1109 CB SER A 69 -7.992 12.167 -0.543 1.00 0.00 C ATOM 1110 OG SER A 69 -7.807 13.141 0.477 1.00 0.00 O ATOM 0 H SER A 69 -9.710 12.342 1.124 1.00 0.00 H new ATOM 0 HA SER A 69 -9.680 12.985 -1.669 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.711 11.181 -0.173 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.343 12.386 -1.391 1.00 0.00 H new ATOM 0 HG SER A 69 -6.870 13.141 0.763 1.00 0.00 H new ATOM 1116 N GLN A 70 -9.583 10.863 -3.034 1.00 0.00 N ATOM 1117 CA GLN A 70 -9.859 9.641 -3.847 1.00 0.00 C ATOM 1118 C GLN A 70 -8.545 8.918 -4.175 1.00 0.00 C ATOM 1119 O GLN A 70 -8.343 7.779 -3.796 1.00 0.00 O ATOM 1120 CB GLN A 70 -10.534 10.150 -5.127 1.00 0.00 C ATOM 1121 CG GLN A 70 -11.874 10.806 -4.781 1.00 0.00 C ATOM 1122 CD GLN A 70 -12.484 11.429 -6.040 1.00 0.00 C ATOM 1123 OE1 GLN A 70 -12.387 12.622 -6.248 1.00 0.00 O ATOM 1124 NE2 GLN A 70 -13.111 10.669 -6.896 1.00 0.00 N ATOM 0 H GLN A 70 -9.249 11.666 -3.567 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.490 8.927 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.886 10.868 -5.630 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.691 9.323 -5.820 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.556 10.065 -4.363 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.729 11.571 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.194 9.667 -6.723 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.518 11.077 -7.737 1.00 0.00 H new ATOM 1133 N SER A 71 -7.648 9.573 -4.869 1.00 0.00 N ATOM 1134 CA SER A 71 -6.344 8.931 -5.217 1.00 0.00 C ATOM 1135 C SER A 71 -5.434 8.864 -3.982 1.00 0.00 C ATOM 1136 O SER A 71 -4.618 7.971 -3.853 1.00 0.00 O ATOM 1137 CB SER A 71 -5.724 9.829 -6.290 1.00 0.00 C ATOM 1138 OG SER A 71 -5.128 9.017 -7.293 1.00 0.00 O ATOM 0 H SER A 71 -7.763 10.527 -5.210 1.00 0.00 H new ATOM 0 HA SER A 71 -6.476 7.908 -5.570 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.488 10.470 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.976 10.485 -5.844 1.00 0.00 H new ATOM 0 HG SER A 71 -4.731 9.588 -7.983 1.00 0.00 H new ATOM 1144 N GLY A 72 -5.571 9.804 -3.075 1.00 0.00 N ATOM 1145 CA GLY A 72 -4.719 9.804 -1.848 1.00 0.00 C ATOM 1146 C GLY A 72 -4.967 8.531 -1.029 1.00 0.00 C ATOM 1147 O GLY A 72 -4.048 7.965 -0.470 1.00 0.00 O ATOM 0 H GLY A 72 -6.239 10.572 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.667 9.866 -2.127 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.941 10.683 -1.243 1.00 0.00 H new ATOM 1151 N VAL A 73 -6.201 8.081 -0.948 1.00 0.00 N ATOM 1152 CA VAL A 73 -6.499 6.844 -0.155 1.00 0.00 C ATOM 1153 C VAL A 73 -5.790 5.627 -0.772 1.00 0.00 C ATOM 1154 O VAL A 73 -5.339 4.744 -0.066 1.00 0.00 O ATOM 1155 CB VAL A 73 -8.034 6.690 -0.184 1.00 0.00 C ATOM 1156 CG1 VAL A 73 -8.476 5.826 -1.372 1.00 0.00 C ATOM 1157 CG2 VAL A 73 -8.497 6.028 1.117 1.00 0.00 C ATOM 0 H VAL A 73 -7.009 8.515 -1.394 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.137 6.916 0.871 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.480 7.679 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.562 5.733 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -8.154 6.294 -2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.027 4.836 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -9.581 5.916 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.032 5.047 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.207 6.649 1.964 1.00 0.00 H new ATOM 1167 N ALA A 74 -5.674 5.583 -2.078 1.00 0.00 N ATOM 1168 CA ALA A 74 -4.977 4.434 -2.736 1.00 0.00 C ATOM 1169 C ALA A 74 -3.501 4.432 -2.330 1.00 0.00 C ATOM 1170 O ALA A 74 -2.954 3.409 -1.969 1.00 0.00 O ATOM 1171 CB ALA A 74 -5.128 4.668 -4.241 1.00 0.00 C ATOM 0 H ALA A 74 -6.032 6.294 -2.716 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.396 3.471 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.639 3.861 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.186 4.692 -4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.667 5.618 -4.510 1.00 0.00 H new ATOM 1177 N GLY A 75 -2.862 5.577 -2.369 1.00 0.00 N ATOM 1178 CA GLY A 75 -1.429 5.655 -1.964 1.00 0.00 C ATOM 1179 C GLY A 75 -1.307 5.261 -0.489 1.00 0.00 C ATOM 1180 O GLY A 75 -0.368 4.597 -0.092 1.00 0.00 O ATOM 0 H GLY A 75 -3.275 6.461 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.826 4.990 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.049 6.665 -2.117 1.00 0.00 H new ATOM 1184 N LYS A 76 -2.262 5.654 0.320 1.00 0.00 N ATOM 1185 CA LYS A 76 -2.224 5.292 1.765 1.00 0.00 C ATOM 1186 C LYS A 76 -2.473 3.789 1.926 1.00 0.00 C ATOM 1187 O LYS A 76 -1.851 3.139 2.739 1.00 0.00 O ATOM 1188 CB LYS A 76 -3.346 6.102 2.419 1.00 0.00 C ATOM 1189 CG LYS A 76 -2.860 6.653 3.761 1.00 0.00 C ATOM 1190 CD LYS A 76 -4.053 6.838 4.700 1.00 0.00 C ATOM 1191 CE LYS A 76 -3.831 8.072 5.581 1.00 0.00 C ATOM 1192 NZ LYS A 76 -4.544 7.770 6.855 1.00 0.00 N ATOM 0 H LYS A 76 -3.068 6.212 0.037 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.259 5.511 2.223 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.647 6.920 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.224 5.473 2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.136 5.970 4.206 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.350 7.605 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -4.969 6.953 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.178 5.952 5.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.769 8.247 5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -4.229 8.970 5.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.437 8.570 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.554 7.615 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.139 6.914 7.285 1.00 0.00 H new ATOM 1206 N THR A 77 -3.365 3.228 1.141 1.00 0.00 N ATOM 1207 CA THR A 77 -3.637 1.762 1.234 1.00 0.00 C ATOM 1208 C THR A 77 -2.329 0.993 1.038 1.00 0.00 C ATOM 1209 O THR A 77 -2.028 0.068 1.769 1.00 0.00 O ATOM 1210 CB THR A 77 -4.626 1.465 0.095 1.00 0.00 C ATOM 1211 OG1 THR A 77 -5.902 1.993 0.423 1.00 0.00 O ATOM 1212 CG2 THR A 77 -4.742 -0.044 -0.118 1.00 0.00 C ATOM 0 H THR A 77 -3.915 3.725 0.441 1.00 0.00 H new ATOM 0 HA THR A 77 -4.046 1.466 2.200 1.00 0.00 H new ATOM 0 HB THR A 77 -4.261 1.929 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.897 2.964 0.294 1.00 0.00 H new ATOM 0 HG21 THR A 77 -5.445 -0.244 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 77 -3.765 -0.451 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.099 -0.514 0.798 1.00 0.00 H new ATOM 1220 N ALA A 78 -1.545 1.384 0.066 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.245 0.693 -0.172 1.00 0.00 C ATOM 1222 C ALA A 78 0.732 1.022 0.963 1.00 0.00 C ATOM 1223 O ALA A 78 1.471 0.171 1.417 1.00 0.00 O ATOM 1224 CB ALA A 78 0.268 1.243 -1.505 1.00 0.00 C ATOM 0 H ALA A 78 -1.750 2.152 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.350 -0.391 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.224 0.779 -1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.452 1.020 -2.292 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.398 2.322 -1.427 1.00 0.00 H new ATOM 1230 N LYS A 79 0.726 2.247 1.430 1.00 0.00 N ATOM 1231 CA LYS A 79 1.642 2.637 2.545 1.00 0.00 C ATOM 1232 C LYS A 79 1.229 1.924 3.838 1.00 0.00 C ATOM 1233 O LYS A 79 2.067 1.485 4.605 1.00 0.00 O ATOM 1234 CB LYS A 79 1.477 4.153 2.693 1.00 0.00 C ATOM 1235 CG LYS A 79 2.692 4.736 3.424 1.00 0.00 C ATOM 1236 CD LYS A 79 2.330 5.007 4.888 1.00 0.00 C ATOM 1237 CE LYS A 79 1.904 6.471 5.048 1.00 0.00 C ATOM 1238 NZ LYS A 79 1.882 6.716 6.520 1.00 0.00 N ATOM 0 H LYS A 79 0.124 2.995 1.085 1.00 0.00 H new ATOM 0 HA LYS A 79 2.677 2.361 2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 79 1.375 4.615 1.711 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.565 4.377 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.530 4.041 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.011 5.659 2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.522 4.346 5.202 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.184 4.794 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.603 7.141 4.548 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.923 6.646 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.598 7.700 6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.202 6.070 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.830 6.550 6.914 1.00 0.00 H new ATOM 1252 N ASP A 80 -0.056 1.801 4.079 1.00 0.00 N ATOM 1253 CA ASP A 80 -0.528 1.112 5.319 1.00 0.00 C ATOM 1254 C ASP A 80 -0.173 -0.377 5.264 1.00 0.00 C ATOM 1255 O ASP A 80 0.085 -0.994 6.278 1.00 0.00 O ATOM 1256 CB ASP A 80 -2.051 1.313 5.359 1.00 0.00 C ATOM 1257 CG ASP A 80 -2.387 2.680 5.974 1.00 0.00 C ATOM 1258 OD1 ASP A 80 -1.911 3.680 5.458 1.00 0.00 O ATOM 1259 OD2 ASP A 80 -3.118 2.705 6.949 1.00 0.00 O ATOM 0 H ASP A 80 -0.796 2.149 3.469 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.055 1.517 6.214 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.461 1.248 4.351 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -2.515 0.519 5.943 1.00 0.00 H new ATOM 1264 N PHE A 81 -0.137 -0.959 4.092 1.00 0.00 N ATOM 1265 CA PHE A 81 0.236 -2.401 4.000 1.00 0.00 C ATOM 1266 C PHE A 81 1.765 -2.528 4.062 1.00 0.00 C ATOM 1267 O PHE A 81 2.296 -3.454 4.646 1.00 0.00 O ATOM 1268 CB PHE A 81 -0.300 -2.884 2.647 1.00 0.00 C ATOM 1269 CG PHE A 81 0.288 -4.240 2.322 1.00 0.00 C ATOM 1270 CD1 PHE A 81 -0.175 -5.384 2.981 1.00 0.00 C ATOM 1271 CD2 PHE A 81 1.303 -4.349 1.363 1.00 0.00 C ATOM 1272 CE1 PHE A 81 0.374 -6.637 2.682 1.00 0.00 C ATOM 1273 CE2 PHE A 81 1.852 -5.601 1.065 1.00 0.00 C ATOM 1274 CZ PHE A 81 1.388 -6.745 1.723 1.00 0.00 C ATOM 0 H PHE A 81 -0.347 -0.503 3.204 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.178 -2.995 4.815 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.388 -2.946 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.043 -2.168 1.866 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.957 -5.301 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.662 -3.467 0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.015 -7.519 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.635 -5.684 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.812 -7.711 1.491 1.00 0.00 H new ATOM 1284 N VAL A 82 2.470 -1.592 3.468 1.00 0.00 N ATOM 1285 CA VAL A 82 3.961 -1.641 3.490 1.00 0.00 C ATOM 1286 C VAL A 82 4.478 -1.402 4.911 1.00 0.00 C ATOM 1287 O VAL A 82 5.430 -2.029 5.336 1.00 0.00 O ATOM 1288 CB VAL A 82 4.420 -0.524 2.545 1.00 0.00 C ATOM 1289 CG1 VAL A 82 5.924 -0.284 2.715 1.00 0.00 C ATOM 1290 CG2 VAL A 82 4.137 -0.933 1.097 1.00 0.00 C ATOM 0 H VAL A 82 2.072 -0.796 2.969 1.00 0.00 H new ATOM 0 HA VAL A 82 4.344 -2.612 3.176 1.00 0.00 H new ATOM 0 HB VAL A 82 3.878 0.391 2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.244 0.511 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.132 0.008 3.744 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.467 -1.199 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.463 -0.140 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.679 -1.850 0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.068 -1.101 0.969 1.00 0.00 H new ATOM 1300 N ARG A 83 3.858 -0.512 5.657 1.00 0.00 N ATOM 1301 CA ARG A 83 4.327 -0.262 7.054 1.00 0.00 C ATOM 1302 C ARG A 83 4.063 -1.502 7.913 1.00 0.00 C ATOM 1303 O ARG A 83 4.879 -1.886 8.730 1.00 0.00 O ATOM 1304 CB ARG A 83 3.536 0.954 7.557 1.00 0.00 C ATOM 1305 CG ARG A 83 2.065 0.593 7.788 1.00 0.00 C ATOM 1306 CD ARG A 83 1.308 1.823 8.298 1.00 0.00 C ATOM 1307 NE ARG A 83 1.448 1.779 9.782 1.00 0.00 N ATOM 1308 CZ ARG A 83 2.401 2.453 10.372 1.00 0.00 C ATOM 1309 NH1 ARG A 83 2.315 3.754 10.467 1.00 0.00 N ATOM 1310 NH2 ARG A 83 3.436 1.825 10.866 1.00 0.00 N ATOM 0 H ARG A 83 3.057 0.044 5.359 1.00 0.00 H new ATOM 0 HA ARG A 83 5.398 -0.064 7.103 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.975 1.319 8.485 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.606 1.764 6.831 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.617 0.237 6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.989 -0.219 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.729 2.742 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.260 1.792 8.000 1.00 0.00 H new ATOM 0 HE ARG A 83 0.799 1.222 10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.506 4.241 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.057 4.282 10.927 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.500 0.810 10.791 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.179 2.350 11.326 1.00 0.00 H new ATOM 1324 N LYS A 84 2.939 -2.147 7.712 1.00 0.00 N ATOM 1325 CA LYS A 84 2.628 -3.382 8.494 1.00 0.00 C ATOM 1326 C LYS A 84 3.625 -4.484 8.117 1.00 0.00 C ATOM 1327 O LYS A 84 4.113 -5.206 8.965 1.00 0.00 O ATOM 1328 CB LYS A 84 1.202 -3.780 8.093 1.00 0.00 C ATOM 1329 CG LYS A 84 0.295 -3.771 9.329 1.00 0.00 C ATOM 1330 CD LYS A 84 -0.322 -2.379 9.506 1.00 0.00 C ATOM 1331 CE LYS A 84 -1.831 -2.510 9.751 1.00 0.00 C ATOM 1332 NZ LYS A 84 -2.220 -1.266 10.478 1.00 0.00 N ATOM 0 H LYS A 84 2.224 -1.870 7.039 1.00 0.00 H new ATOM 0 HA LYS A 84 2.702 -3.223 9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.818 -3.088 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.205 -4.771 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.492 -4.517 9.220 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.869 -4.040 10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.149 -1.866 10.344 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.139 -1.774 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.376 -2.603 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.058 -3.398 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.240 -1.286 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.692 -1.207 11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.999 -0.437 9.890 1.00 0.00 H new ATOM 1346 N ALA A 85 3.948 -4.595 6.848 1.00 0.00 N ATOM 1347 CA ALA A 85 4.934 -5.627 6.406 1.00 0.00 C ATOM 1348 C ALA A 85 6.331 -5.241 6.903 1.00 0.00 C ATOM 1349 O ALA A 85 7.145 -6.092 7.216 1.00 0.00 O ATOM 1350 CB ALA A 85 4.880 -5.612 4.877 1.00 0.00 C ATOM 0 H ALA A 85 3.569 -4.013 6.101 1.00 0.00 H new ATOM 0 HA ALA A 85 4.709 -6.618 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.580 -6.347 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.871 -5.857 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.150 -4.621 4.513 1.00 0.00 H new ATOM 1356 N PHE A 86 6.606 -3.959 6.991 1.00 0.00 N ATOM 1357 CA PHE A 86 7.938 -3.503 7.488 1.00 0.00 C ATOM 1358 C PHE A 86 8.098 -3.916 8.954 1.00 0.00 C ATOM 1359 O PHE A 86 9.144 -4.375 9.368 1.00 0.00 O ATOM 1360 CB PHE A 86 7.928 -1.973 7.360 1.00 0.00 C ATOM 1361 CG PHE A 86 9.048 -1.523 6.450 1.00 0.00 C ATOM 1362 CD1 PHE A 86 10.373 -1.876 6.738 1.00 0.00 C ATOM 1363 CD2 PHE A 86 8.762 -0.748 5.318 1.00 0.00 C ATOM 1364 CE1 PHE A 86 11.409 -1.454 5.896 1.00 0.00 C ATOM 1365 CE2 PHE A 86 9.799 -0.326 4.478 1.00 0.00 C ATOM 1366 CZ PHE A 86 11.122 -0.679 4.766 1.00 0.00 C ATOM 0 H PHE A 86 5.961 -3.210 6.738 1.00 0.00 H new ATOM 0 HA PHE A 86 8.763 -3.941 6.926 1.00 0.00 H new ATOM 0 HB2 PHE A 86 6.969 -1.639 6.963 1.00 0.00 H new ATOM 0 HB3 PHE A 86 8.042 -1.517 8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.595 -2.474 7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 86 7.741 -0.476 5.094 1.00 0.00 H new ATOM 0 HE1 PHE A 86 12.430 -1.727 6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 86 9.578 0.273 3.607 1.00 0.00 H new ATOM 0 HZ PHE A 86 11.921 -0.354 4.117 1.00 0.00 H new ATOM 1376 N GLN A 87 7.056 -3.763 9.740 1.00 0.00 N ATOM 1377 CA GLN A 87 7.133 -4.158 11.178 1.00 0.00 C ATOM 1378 C GLN A 87 7.256 -5.685 11.302 1.00 0.00 C ATOM 1379 O GLN A 87 7.966 -6.190 12.150 1.00 0.00 O ATOM 1380 CB GLN A 87 5.820 -3.665 11.796 1.00 0.00 C ATOM 1381 CG GLN A 87 5.925 -2.165 12.087 1.00 0.00 C ATOM 1382 CD GLN A 87 4.526 -1.584 12.309 1.00 0.00 C ATOM 1383 OE1 GLN A 87 3.964 -0.969 11.424 1.00 0.00 O ATOM 1384 NE2 GLN A 87 3.937 -1.747 13.464 1.00 0.00 N ATOM 0 H GLN A 87 6.157 -3.381 9.444 1.00 0.00 H new ATOM 0 HA GLN A 87 8.001 -3.731 11.680 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.990 -3.857 11.116 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.611 -4.211 12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.543 -1.998 12.969 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.413 -1.657 11.255 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.407 -2.263 14.208 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.007 -1.358 13.622 1.00 0.00 H new ATOM 1393 N LYS A 88 6.573 -6.421 10.455 1.00 0.00 N ATOM 1394 CA LYS A 88 6.651 -7.915 10.513 1.00 0.00 C ATOM 1395 C LYS A 88 8.025 -8.397 10.033 1.00 0.00 C ATOM 1396 O LYS A 88 8.693 -9.161 10.704 1.00 0.00 O ATOM 1397 CB LYS A 88 5.553 -8.412 9.569 1.00 0.00 C ATOM 1398 CG LYS A 88 4.199 -8.370 10.284 1.00 0.00 C ATOM 1399 CD LYS A 88 3.692 -9.798 10.512 1.00 0.00 C ATOM 1400 CE LYS A 88 3.609 -10.083 12.016 1.00 0.00 C ATOM 1401 NZ LYS A 88 2.469 -9.258 12.510 1.00 0.00 N ATOM 0 H LYS A 88 5.964 -6.050 9.726 1.00 0.00 H new ATOM 0 HA LYS A 88 6.518 -8.291 11.527 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.522 -7.791 8.674 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.772 -9.429 9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.296 -7.852 11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 88 3.479 -7.809 9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.711 -9.923 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.361 -10.513 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.439 -11.143 12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 88 4.537 -9.813 12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.984 -9.761 13.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.827 -8.347 12.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.800 -9.089 11.732 1.00 0.00 H new ATOM 1415 N GLY A 89 8.445 -7.955 8.873 1.00 0.00 N ATOM 1416 CA GLY A 89 9.766 -8.374 8.328 1.00 0.00 C ATOM 1417 C GLY A 89 9.585 -8.929 6.912 1.00 0.00 C ATOM 1418 O GLY A 89 10.070 -9.997 6.590 1.00 0.00 O ATOM 0 H GLY A 89 7.920 -7.315 8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.450 -7.525 8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.213 -9.131 8.972 1.00 0.00 H new ATOM 1422 N LEU A 90 8.890 -8.213 6.062 1.00 0.00 N ATOM 1423 CA LEU A 90 8.672 -8.696 4.666 1.00 0.00 C ATOM 1424 C LEU A 90 9.224 -7.683 3.658 1.00 0.00 C ATOM 1425 O LEU A 90 9.951 -8.038 2.752 1.00 0.00 O ATOM 1426 CB LEU A 90 7.151 -8.833 4.524 1.00 0.00 C ATOM 1427 CG LEU A 90 6.712 -10.224 4.996 1.00 0.00 C ATOM 1428 CD1 LEU A 90 5.198 -10.359 4.841 1.00 0.00 C ATOM 1429 CD2 LEU A 90 7.401 -11.301 4.153 1.00 0.00 C ATOM 0 H LEU A 90 8.464 -7.312 6.277 1.00 0.00 H new ATOM 0 HA LEU A 90 9.183 -9.639 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.650 -8.064 5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.858 -8.681 3.485 1.00 0.00 H new ATOM 0 HG LEU A 90 6.990 -10.350 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.885 -11.348 5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.701 -9.598 5.442 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.926 -10.228 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.085 -12.287 4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.127 -11.174 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.482 -11.210 4.259 1.00 0.00 H new ATOM 1441 N ILE A 91 8.894 -6.425 3.817 1.00 0.00 N ATOM 1442 CA ILE A 91 9.413 -5.393 2.875 1.00 0.00 C ATOM 1443 C ILE A 91 10.609 -4.681 3.515 1.00 0.00 C ATOM 1444 O ILE A 91 10.496 -3.579 4.015 1.00 0.00 O ATOM 1445 CB ILE A 91 8.246 -4.421 2.643 1.00 0.00 C ATOM 1446 CG1 ILE A 91 7.053 -5.182 2.052 1.00 0.00 C ATOM 1447 CG2 ILE A 91 8.679 -3.323 1.664 1.00 0.00 C ATOM 1448 CD1 ILE A 91 5.843 -4.253 1.958 1.00 0.00 C ATOM 0 H ILE A 91 8.289 -6.071 4.558 1.00 0.00 H new ATOM 0 HA ILE A 91 9.756 -5.818 1.932 1.00 0.00 H new ATOM 0 HB ILE A 91 7.959 -3.971 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 91 7.307 -5.565 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 91 6.814 -6.044 2.675 1.00 0.00 H new ATOM 0 HG21 ILE A 91 7.850 -2.634 1.500 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.527 -2.778 2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.968 -3.775 0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.998 -4.798 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.583 -3.892 2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 91 6.084 -3.406 1.316 1.00 0.00 H new ATOM 1460 N SER A 92 11.754 -5.315 3.509 1.00 0.00 N ATOM 1461 CA SER A 92 12.968 -4.687 4.117 1.00 0.00 C ATOM 1462 C SER A 92 13.532 -3.607 3.187 1.00 0.00 C ATOM 1463 O SER A 92 12.971 -3.316 2.148 1.00 0.00 O ATOM 1464 CB SER A 92 13.973 -5.830 4.288 1.00 0.00 C ATOM 1465 OG SER A 92 14.260 -6.400 3.016 1.00 0.00 O ATOM 0 H SER A 92 11.902 -6.242 3.109 1.00 0.00 H new ATOM 0 HA SER A 92 12.744 -4.201 5.067 1.00 0.00 H new ATOM 0 HB2 SER A 92 14.889 -5.458 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.567 -6.589 4.956 1.00 0.00 H new ATOM 0 HG SER A 92 14.227 -7.377 3.081 1.00 0.00 H new ATOM 1471 N GLN A 93 14.636 -3.011 3.556 1.00 0.00 N ATOM 1472 CA GLN A 93 15.238 -1.946 2.697 1.00 0.00 C ATOM 1473 C GLN A 93 15.804 -2.551 1.406 1.00 0.00 C ATOM 1474 O GLN A 93 15.484 -2.113 0.318 1.00 0.00 O ATOM 1475 CB GLN A 93 16.359 -1.323 3.540 1.00 0.00 C ATOM 1476 CG GLN A 93 16.112 0.182 3.685 1.00 0.00 C ATOM 1477 CD GLN A 93 17.396 0.875 4.147 1.00 0.00 C ATOM 1478 OE1 GLN A 93 17.503 1.285 5.287 1.00 0.00 O ATOM 1479 NE2 GLN A 93 18.382 1.027 3.305 1.00 0.00 N ATOM 0 H GLN A 93 15.147 -3.215 4.415 1.00 0.00 H new ATOM 0 HA GLN A 93 14.499 -1.203 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 93 16.394 -1.793 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 93 17.325 -1.500 3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 93 15.785 0.600 2.733 1.00 0.00 H new ATOM 0 HG3 GLN A 93 15.312 0.361 4.404 1.00 0.00 H new ATOM 0 HE21 GLN A 93 18.293 0.684 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 93 19.241 1.489 3.604 1.00 0.00 H new ATOM 1488 N GLN A 94 16.645 -3.551 1.520 1.00 0.00 N ATOM 1489 CA GLN A 94 17.240 -4.182 0.298 1.00 0.00 C ATOM 1490 C GLN A 94 16.154 -4.843 -0.563 1.00 0.00 C ATOM 1491 O GLN A 94 16.162 -4.724 -1.775 1.00 0.00 O ATOM 1492 CB GLN A 94 18.228 -5.234 0.820 1.00 0.00 C ATOM 1493 CG GLN A 94 19.660 -4.810 0.478 1.00 0.00 C ATOM 1494 CD GLN A 94 20.360 -4.287 1.737 1.00 0.00 C ATOM 1495 OE1 GLN A 94 20.688 -5.048 2.626 1.00 0.00 O ATOM 1496 NE2 GLN A 94 20.605 -3.010 1.853 1.00 0.00 N ATOM 0 H GLN A 94 16.945 -3.958 2.406 1.00 0.00 H new ATOM 0 HA GLN A 94 17.730 -3.442 -0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.119 -5.346 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.010 -6.205 0.375 1.00 0.00 H new ATOM 0 HG2 GLN A 94 20.212 -5.656 0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.647 -4.037 -0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.331 -2.368 1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 94 21.070 -2.654 2.688 1.00 0.00 H new ATOM 1505 N GLU A 95 15.221 -5.534 0.047 1.00 0.00 N ATOM 1506 CA GLU A 95 14.141 -6.196 -0.750 1.00 0.00 C ATOM 1507 C GLU A 95 13.252 -5.142 -1.414 1.00 0.00 C ATOM 1508 O GLU A 95 12.837 -5.299 -2.547 1.00 0.00 O ATOM 1509 CB GLU A 95 13.341 -7.030 0.253 1.00 0.00 C ATOM 1510 CG GLU A 95 12.723 -8.236 -0.458 1.00 0.00 C ATOM 1511 CD GLU A 95 13.729 -9.390 -0.482 1.00 0.00 C ATOM 1512 OE1 GLU A 95 14.623 -9.356 -1.314 1.00 0.00 O ATOM 1513 OE2 GLU A 95 13.588 -10.289 0.329 1.00 0.00 O ATOM 0 H GLU A 95 15.161 -5.668 1.056 1.00 0.00 H new ATOM 0 HA GLU A 95 14.546 -6.817 -1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.990 -7.366 1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 95 12.558 -6.421 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.812 -8.545 0.054 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.440 -7.965 -1.475 1.00 0.00 H new ATOM 1520 N ALA A 96 12.972 -4.061 -0.728 1.00 0.00 N ATOM 1521 CA ALA A 96 12.125 -2.992 -1.336 1.00 0.00 C ATOM 1522 C ALA A 96 12.881 -2.339 -2.496 1.00 0.00 C ATOM 1523 O ALA A 96 12.312 -2.046 -3.530 1.00 0.00 O ATOM 1524 CB ALA A 96 11.874 -1.980 -0.216 1.00 0.00 C ATOM 0 H ALA A 96 13.292 -3.874 0.222 1.00 0.00 H new ATOM 0 HA ALA A 96 11.188 -3.381 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.256 -1.165 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 96 11.361 -2.472 0.610 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.826 -1.581 0.134 1.00 0.00 H new ATOM 1530 N ASN A 97 14.166 -2.126 -2.334 1.00 0.00 N ATOM 1531 CA ASN A 97 14.972 -1.505 -3.429 1.00 0.00 C ATOM 1532 C ASN A 97 15.028 -2.448 -4.637 1.00 0.00 C ATOM 1533 O ASN A 97 14.945 -2.015 -5.771 1.00 0.00 O ATOM 1534 CB ASN A 97 16.372 -1.295 -2.841 1.00 0.00 C ATOM 1535 CG ASN A 97 16.525 0.160 -2.391 1.00 0.00 C ATOM 1536 OD1 ASN A 97 15.944 0.567 -1.405 1.00 0.00 O ATOM 1537 ND2 ASN A 97 17.283 0.968 -3.080 1.00 0.00 N ATOM 0 H ASN A 97 14.690 -2.356 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 97 14.540 -0.566 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.527 -1.966 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.131 -1.538 -3.585 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.387 1.940 -2.791 1.00 0.00 H new ATOM 0 HD22 ASN A 97 17.771 0.627 -3.908 1.00 0.00 H new ATOM 1544 N GLN A 98 15.150 -3.735 -4.399 1.00 0.00 N ATOM 1545 CA GLN A 98 15.192 -4.709 -5.534 1.00 0.00 C ATOM 1546 C GLN A 98 13.879 -4.633 -6.320 1.00 0.00 C ATOM 1547 O GLN A 98 13.873 -4.624 -7.537 1.00 0.00 O ATOM 1548 CB GLN A 98 15.357 -6.091 -4.887 1.00 0.00 C ATOM 1549 CG GLN A 98 16.813 -6.289 -4.443 1.00 0.00 C ATOM 1550 CD GLN A 98 17.487 -7.346 -5.325 1.00 0.00 C ATOM 1551 OE1 GLN A 98 17.710 -7.122 -6.498 1.00 0.00 O ATOM 1552 NE2 GLN A 98 17.828 -8.496 -4.806 1.00 0.00 N ATOM 0 H GLN A 98 15.222 -4.150 -3.470 1.00 0.00 H new ATOM 0 HA GLN A 98 16.004 -4.500 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.690 -6.183 -4.029 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.074 -6.870 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.355 -5.346 -4.512 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.845 -6.600 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.642 -8.686 -3.821 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.280 -9.203 -5.386 1.00 0.00 H new ATOM 1561 N TRP A 99 12.765 -4.555 -5.628 1.00 0.00 N ATOM 1562 CA TRP A 99 11.452 -4.455 -6.332 1.00 0.00 C ATOM 1563 C TRP A 99 11.353 -3.105 -7.047 1.00 0.00 C ATOM 1564 O TRP A 99 10.839 -3.010 -8.145 1.00 0.00 O ATOM 1565 CB TRP A 99 10.392 -4.556 -5.237 1.00 0.00 C ATOM 1566 CG TRP A 99 9.038 -4.633 -5.870 1.00 0.00 C ATOM 1567 CD1 TRP A 99 8.672 -5.532 -6.812 1.00 0.00 C ATOM 1568 CD2 TRP A 99 7.874 -3.791 -5.632 1.00 0.00 C ATOM 1569 NE1 TRP A 99 7.355 -5.297 -7.166 1.00 0.00 N ATOM 1570 CE2 TRP A 99 6.820 -4.235 -6.465 1.00 0.00 C ATOM 1571 CE3 TRP A 99 7.632 -2.699 -4.782 1.00 0.00 C ATOM 1572 CZ2 TRP A 99 5.572 -3.615 -6.455 1.00 0.00 C ATOM 1573 CZ3 TRP A 99 6.376 -2.075 -4.769 1.00 0.00 C ATOM 1574 CH2 TRP A 99 5.347 -2.531 -5.604 1.00 0.00 C ATOM 0 H TRP A 99 12.712 -4.557 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 99 11.326 -5.235 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 99 10.570 -5.438 -4.622 1.00 0.00 H new ATOM 0 HB3 TRP A 99 10.450 -3.690 -4.577 1.00 0.00 H new ATOM 0 HD1 TRP A 99 9.304 -6.306 -7.221 1.00 0.00 H new ATOM 0 HE1 TRP A 99 6.843 -5.842 -7.860 1.00 0.00 H new ATOM 0 HE3 TRP A 99 8.418 -2.338 -4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 4.784 -3.971 -7.102 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.201 -1.237 -4.111 1.00 0.00 H new ATOM 0 HH2 TRP A 99 4.382 -2.045 -5.589 1.00 0.00 H new ATOM 1585 N LEU A 100 11.847 -2.063 -6.426 1.00 0.00 N ATOM 1586 CA LEU A 100 11.799 -0.711 -7.062 1.00 0.00 C ATOM 1587 C LEU A 100 12.724 -0.668 -8.285 1.00 0.00 C ATOM 1588 O LEU A 100 12.396 -0.075 -9.297 1.00 0.00 O ATOM 1589 CB LEU A 100 12.286 0.274 -5.991 1.00 0.00 C ATOM 1590 CG LEU A 100 11.176 0.509 -4.963 1.00 0.00 C ATOM 1591 CD1 LEU A 100 11.740 1.291 -3.776 1.00 0.00 C ATOM 1592 CD2 LEU A 100 10.042 1.310 -5.608 1.00 0.00 C ATOM 0 H LEU A 100 12.282 -2.091 -5.504 1.00 0.00 H new ATOM 0 HA LEU A 100 10.795 -0.464 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 100 13.174 -0.120 -5.498 1.00 0.00 H new ATOM 0 HB3 LEU A 100 12.571 1.218 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 100 10.791 -0.451 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.951 1.459 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 100 12.547 0.721 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 100 12.124 2.251 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.252 1.477 -4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.425 2.270 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 100 9.640 0.754 -6.455 1.00 0.00 H new ATOM 1604 N SER A 101 13.874 -1.296 -8.202 1.00 0.00 N ATOM 1605 CA SER A 101 14.818 -1.294 -9.361 1.00 0.00 C ATOM 1606 C SER A 101 14.261 -2.153 -10.501 1.00 0.00 C ATOM 1607 O SER A 101 14.236 -1.730 -11.639 1.00 0.00 O ATOM 1608 CB SER A 101 16.130 -1.881 -8.832 1.00 0.00 C ATOM 1609 OG SER A 101 16.713 -0.969 -7.909 1.00 0.00 O ATOM 0 H SER A 101 14.197 -1.809 -7.382 1.00 0.00 H new ATOM 0 HA SER A 101 14.965 -0.291 -9.761 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.944 -2.839 -8.346 1.00 0.00 H new ATOM 0 HB3 SER A 101 16.816 -2.070 -9.657 1.00 0.00 H new ATOM 0 HG SER A 101 16.296 -1.082 -7.029 1.00 0.00 H new ATOM 1615 N SER A 102 13.809 -3.351 -10.195 1.00 0.00 N ATOM 1616 CA SER A 102 13.238 -4.263 -11.242 1.00 0.00 C ATOM 1617 C SER A 102 14.278 -4.549 -12.344 1.00 0.00 C ATOM 1618 O SER A 102 14.256 -3.873 -13.361 1.00 0.00 O ATOM 1619 CB SER A 102 12.010 -3.528 -11.804 1.00 0.00 C ATOM 1620 OG SER A 102 10.968 -3.526 -10.833 1.00 0.00 O ATOM 1621 OXT SER A 102 15.079 -5.448 -12.147 1.00 0.00 O ATOM 0 H SER A 102 13.812 -3.739 -9.252 1.00 0.00 H new ATOM 0 HA SER A 102 12.962 -5.233 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.276 -2.505 -12.069 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.669 -4.015 -12.717 1.00 0.00 H new ATOM 0 HG SER A 102 11.337 -3.284 -9.958 1.00 0.00 H new TER 1627 SER A 102