USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 815 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 7 SER OG : rot -50:sc= -3.15! USER MOD Set 1.2: A 25 GLN :FLIP amide:sc= -3.26! C(o=-12!,f=-8.2!) USER MOD Set 1.3: A 87 THR OG1 : rot -105:sc= -1.84 USER MOD Set 2.1: A 19 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.134) USER MOD Set 2.2: A 57 LYS NZ :NH3+ 147:sc= 0.279 (180deg=-0.00896) USER MOD Set 2.3: A 59 HIS :FLIP no HE2:sc= -0.0361 F(o=-0.76,f=0.24) USER MOD Set 3.1: A 54 GLN : amide:sc=-0.00575 K(o=-0.12,f=-1.8!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -0.119 F(o=-0.95,f=-0.12) USER MOD Set 4.1: A 41 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 69 MET CE :methyl 146:sc= -0.381 (180deg=-2.97!) USER MOD Set 5.1: A 13 SER OG : rot -153:sc= 0.167! USER MOD Set 5.2: A 17 SER OG : rot 38:sc= -0.183 USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.453 USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 11 GLN : amide:sc= -0.0604 X(o=-0.06,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -140:sc= -0.128 (180deg=-0.805) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.828 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.412) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= -4.86! (180deg=-5.37!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 80:sc= -2.64! USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.447! C(o=-0.45!,f=-9.3!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -100:sc= -0.271 USER MOD Single : A 89 TYR OH : rot -124:sc= 0.0638 USER MOD Single : A 92 SER OG : rot 180:sc= 0.0263 USER MOD Single : A 93 MET CE :methyl 175:sc= -0.386 (180deg=-0.406) USER MOD Single : A 96 LYS NZ :NH3+ 131:sc= -0.243 (180deg=-1.4!) USER MOD Single : A 98 ASN : amide:sc= -0.483 K(o=-0.48,f=-5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 2.780 21.805 -7.771 1.00 0.00 N ATOM 2 CA ARG A 1 2.849 20.369 -7.381 1.00 0.00 C ATOM 3 C ARG A 1 4.264 20.050 -6.903 1.00 0.00 C ATOM 4 O ARG A 1 5.240 20.328 -7.601 1.00 0.00 O ATOM 5 CB ARG A 1 2.496 19.501 -8.591 1.00 0.00 C ATOM 6 CG ARG A 1 2.286 18.053 -8.146 1.00 0.00 C ATOM 7 CD ARG A 1 2.068 17.170 -9.376 1.00 0.00 C ATOM 8 NE ARG A 1 0.872 17.595 -10.094 1.00 0.00 N ATOM 9 CZ ARG A 1 -0.338 17.188 -9.722 1.00 0.00 C ATOM 10 NH1 ARG A 1 -0.472 16.389 -8.701 1.00 0.00 N ATOM 11 NH2 ARG A 1 -1.391 17.589 -10.380 1.00 0.00 N ATOM 0 H1 ARG A 1 1.819 22.030 -8.098 1.00 0.00 H new ATOM 0 H2 ARG A 1 3.015 22.399 -6.950 1.00 0.00 H new ATOM 0 H3 ARG A 1 3.458 21.990 -8.537 1.00 0.00 H new ATOM 0 HA ARG A 1 2.142 20.165 -6.577 1.00 0.00 H new ATOM 0 HB2 ARG A 1 1.593 19.879 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 1 3.294 19.551 -9.332 1.00 0.00 H new ATOM 0 HG2 ARG A 1 3.152 17.705 -7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 1 1.426 17.987 -7.480 1.00 0.00 H new ATOM 0 HD2 ARG A 1 2.936 17.228 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 1 1.968 16.128 -9.072 1.00 0.00 H new ATOM 0 HE ARG A 1 0.965 18.217 -10.897 1.00 0.00 H new ATOM 0 HH11 ARG A 1 0.351 16.076 -8.187 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.400 16.077 -8.416 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -1.286 18.214 -11.179 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -2.320 17.277 -10.095 1.00 0.00 H new ATOM 25 N GLU A 2 4.369 19.479 -5.704 1.00 0.00 N ATOM 26 CA GLU A 2 5.673 19.135 -5.127 1.00 0.00 C ATOM 27 C GLU A 2 5.647 17.732 -4.518 1.00 0.00 C ATOM 28 O GLU A 2 5.486 17.581 -3.308 1.00 0.00 O ATOM 29 CB GLU A 2 6.034 20.148 -4.039 1.00 0.00 C ATOM 30 CG GLU A 2 6.180 21.540 -4.664 1.00 0.00 C ATOM 31 CD GLU A 2 6.883 22.476 -3.687 1.00 0.00 C ATOM 32 OE1 GLU A 2 6.334 22.712 -2.623 1.00 0.00 O ATOM 33 OE2 GLU A 2 7.960 22.944 -4.018 1.00 0.00 O ATOM 0 H GLU A 2 3.571 19.244 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 2 6.418 19.158 -5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.262 20.162 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.964 19.857 -3.551 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.749 21.474 -5.591 1.00 0.00 H new ATOM 0 HG3 GLU A 2 5.198 21.938 -4.920 1.00 0.00 H new ATOM 40 N PRO A 3 5.808 16.711 -5.324 1.00 0.00 N ATOM 41 CA PRO A 3 5.818 15.303 -4.881 1.00 0.00 C ATOM 42 C PRO A 3 7.253 14.791 -4.797 1.00 0.00 C ATOM 43 O PRO A 3 8.194 15.583 -4.808 1.00 0.00 O ATOM 44 CB PRO A 3 5.053 14.624 -6.013 1.00 0.00 C ATOM 45 CG PRO A 3 5.436 15.398 -7.254 1.00 0.00 C ATOM 46 CD PRO A 3 6.007 16.755 -6.776 1.00 0.00 C ATOM 0 HA PRO A 3 5.386 15.130 -3.895 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.327 13.573 -6.102 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.977 14.659 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.176 14.851 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.570 15.548 -7.898 1.00 0.00 H new ATOM 0 HD2 PRO A 3 7.060 16.862 -7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.481 17.595 -7.229 1.00 0.00 H new ATOM 54 N SER A 4 7.431 13.477 -4.730 1.00 0.00 N ATOM 55 CA SER A 4 8.781 12.930 -4.667 1.00 0.00 C ATOM 56 C SER A 4 8.775 11.411 -4.898 1.00 0.00 C ATOM 57 O SER A 4 7.718 10.822 -5.120 1.00 0.00 O ATOM 58 CB SER A 4 9.400 13.272 -3.306 1.00 0.00 C ATOM 59 OG SER A 4 9.380 12.124 -2.468 1.00 0.00 O ATOM 0 H SER A 4 6.680 12.786 -4.718 1.00 0.00 H new ATOM 0 HA SER A 4 9.382 13.376 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.425 13.619 -3.439 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.846 14.086 -2.838 1.00 0.00 H new ATOM 0 HG SER A 4 9.778 12.346 -1.600 1.00 0.00 H new ATOM 65 N PRO A 5 9.928 10.771 -4.866 1.00 0.00 N ATOM 66 CA PRO A 5 10.038 9.291 -5.093 1.00 0.00 C ATOM 67 C PRO A 5 9.232 8.493 -4.061 1.00 0.00 C ATOM 68 O PRO A 5 8.727 9.062 -3.094 1.00 0.00 O ATOM 69 CB PRO A 5 11.549 9.005 -4.977 1.00 0.00 C ATOM 70 CG PRO A 5 12.219 10.332 -5.162 1.00 0.00 C ATOM 71 CD PRO A 5 11.248 11.372 -4.610 1.00 0.00 C ATOM 0 HA PRO A 5 9.629 8.991 -6.058 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.794 8.573 -4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.873 8.292 -5.735 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.171 10.366 -4.632 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.434 10.518 -6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.410 11.550 -3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 5 11.358 12.332 -5.114 1.00 0.00 H new ATOM 79 N PRO A 6 9.093 7.199 -4.248 1.00 0.00 N ATOM 80 CA PRO A 6 8.325 6.331 -3.317 1.00 0.00 C ATOM 81 C PRO A 6 8.502 6.666 -1.840 1.00 0.00 C ATOM 82 O PRO A 6 9.398 7.418 -1.457 1.00 0.00 O ATOM 83 CB PRO A 6 8.825 4.937 -3.652 1.00 0.00 C ATOM 84 CG PRO A 6 9.006 5.013 -5.121 1.00 0.00 C ATOM 85 CD PRO A 6 9.626 6.397 -5.370 1.00 0.00 C ATOM 0 HA PRO A 6 7.251 6.459 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.758 4.705 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.106 4.168 -3.370 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.658 4.217 -5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.055 4.906 -5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 6 10.715 6.360 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.330 6.805 -6.336 1.00 0.00 H new ATOM 93 N SER A 7 7.596 6.123 -1.027 1.00 0.00 N ATOM 94 CA SER A 7 7.597 6.382 0.408 1.00 0.00 C ATOM 95 C SER A 7 6.738 5.352 1.142 1.00 0.00 C ATOM 96 O SER A 7 5.880 5.706 1.949 1.00 0.00 O ATOM 97 CB SER A 7 7.034 7.779 0.623 1.00 0.00 C ATOM 98 OG SER A 7 7.541 8.635 -0.394 1.00 0.00 O ATOM 0 H SER A 7 6.852 5.500 -1.341 1.00 0.00 H new ATOM 0 HA SER A 7 8.611 6.309 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.945 7.757 0.590 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.316 8.153 1.607 1.00 0.00 H new ATOM 0 HG SER A 7 8.514 8.535 -0.451 1.00 0.00 H new ATOM 104 N ILE A 8 6.965 4.078 0.834 1.00 0.00 N ATOM 105 CA ILE A 8 6.206 2.984 1.435 1.00 0.00 C ATOM 106 C ILE A 8 7.143 1.961 2.058 1.00 0.00 C ATOM 107 O ILE A 8 8.054 1.458 1.401 1.00 0.00 O ATOM 108 CB ILE A 8 5.382 2.299 0.342 1.00 0.00 C ATOM 109 CG1 ILE A 8 4.473 3.331 -0.357 1.00 0.00 C ATOM 110 CG2 ILE A 8 4.544 1.173 0.960 1.00 0.00 C ATOM 111 CD1 ILE A 8 3.192 3.576 0.432 1.00 0.00 C ATOM 0 H ILE A 8 7.674 3.776 0.166 1.00 0.00 H new ATOM 0 HA ILE A 8 5.557 3.387 2.212 1.00 0.00 H new ATOM 0 HB ILE A 8 6.052 1.870 -0.403 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.013 4.270 -0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.223 2.978 -1.357 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.958 0.686 0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.204 0.442 1.427 1.00 0.00 H new ATOM 0 HG23 ILE A 8 3.873 1.589 1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.577 4.308 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.640 2.641 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.442 3.954 1.423 1.00 0.00 H new ATOM 123 N HIS A 9 6.903 1.643 3.326 1.00 0.00 N ATOM 124 CA HIS A 9 7.718 0.655 4.038 1.00 0.00 C ATOM 125 C HIS A 9 6.859 -0.565 4.353 1.00 0.00 C ATOM 126 O HIS A 9 5.924 -0.478 5.144 1.00 0.00 O ATOM 127 CB HIS A 9 8.245 1.280 5.348 1.00 0.00 C ATOM 128 CG HIS A 9 9.619 0.747 5.672 1.00 0.00 C ATOM 129 ND1 HIS A 9 9.813 -0.468 6.310 1.00 0.00 N ATOM 130 CD2 HIS A 9 10.873 1.256 5.447 1.00 0.00 C ATOM 131 CE1 HIS A 9 11.141 -0.648 6.444 1.00 0.00 C ATOM 132 NE2 HIS A 9 11.832 0.375 5.934 1.00 0.00 N ATOM 0 H HIS A 9 6.153 2.052 3.884 1.00 0.00 H new ATOM 0 HA HIS A 9 8.563 0.352 3.420 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.283 2.365 5.251 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.560 1.057 6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.083 2.199 4.964 1.00 0.00 H new ATOM 0 HE1 HIS A 9 11.592 -1.513 6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 9 12.846 0.486 5.908 1.00 0.00 H new ATOM 140 N GLY A 10 7.185 -1.702 3.744 1.00 0.00 N ATOM 141 CA GLY A 10 6.426 -2.931 3.975 1.00 0.00 C ATOM 142 C GLY A 10 7.065 -3.765 5.072 1.00 0.00 C ATOM 143 O GLY A 10 8.289 -3.848 5.165 1.00 0.00 O ATOM 0 H GLY A 10 7.963 -1.800 3.092 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.401 -2.684 4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.377 -3.511 3.054 1.00 0.00 H new ATOM 147 N GLN A 11 6.231 -4.384 5.907 1.00 0.00 N ATOM 148 CA GLN A 11 6.743 -5.214 7.001 1.00 0.00 C ATOM 149 C GLN A 11 5.758 -6.342 7.335 1.00 0.00 C ATOM 150 O GLN A 11 4.550 -6.168 7.197 1.00 0.00 O ATOM 151 CB GLN A 11 6.969 -4.354 8.249 1.00 0.00 C ATOM 152 CG GLN A 11 8.142 -3.398 8.017 1.00 0.00 C ATOM 153 CD GLN A 11 8.515 -2.708 9.324 1.00 0.00 C ATOM 154 OE1 GLN A 11 9.691 -2.647 9.683 1.00 0.00 O ATOM 155 NE2 GLN A 11 7.578 -2.182 10.065 1.00 0.00 N ATOM 0 H GLN A 11 5.214 -4.330 5.851 1.00 0.00 H new ATOM 0 HA GLN A 11 7.688 -5.653 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.067 -3.787 8.479 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.173 -4.992 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.999 -3.948 7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 11 7.873 -2.654 7.267 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.604 -2.233 9.767 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.820 -1.720 10.942 1.00 0.00 H new ATOM 164 N PRO A 12 6.238 -7.484 7.779 1.00 0.00 N ATOM 165 CA PRO A 12 5.353 -8.633 8.138 1.00 0.00 C ATOM 166 C PRO A 12 4.668 -8.432 9.490 1.00 0.00 C ATOM 167 O PRO A 12 5.184 -8.860 10.523 1.00 0.00 O ATOM 168 CB PRO A 12 6.324 -9.819 8.188 1.00 0.00 C ATOM 169 CG PRO A 12 7.621 -9.217 8.616 1.00 0.00 C ATOM 170 CD PRO A 12 7.662 -7.819 7.989 1.00 0.00 C ATOM 0 HA PRO A 12 4.537 -8.766 7.428 1.00 0.00 H new ATOM 0 HB2 PRO A 12 5.987 -10.579 8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.412 -10.302 7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.685 -9.160 9.703 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.463 -9.822 8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 12 8.149 -7.100 8.647 1.00 0.00 H new ATOM 0 HD3 PRO A 12 8.216 -7.818 7.050 1.00 0.00 H new ATOM 178 N SER A 13 3.505 -7.789 9.479 1.00 0.00 N ATOM 179 CA SER A 13 2.771 -7.555 10.718 1.00 0.00 C ATOM 180 C SER A 13 2.470 -8.882 11.403 1.00 0.00 C ATOM 181 O SER A 13 3.243 -9.356 12.235 1.00 0.00 O ATOM 182 CB SER A 13 1.461 -6.825 10.420 1.00 0.00 C ATOM 183 OG SER A 13 0.669 -7.616 9.545 1.00 0.00 O ATOM 0 H SER A 13 3.055 -7.425 8.639 1.00 0.00 H new ATOM 0 HA SER A 13 3.383 -6.940 11.378 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.919 -6.634 11.346 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.667 -5.856 9.966 1.00 0.00 H new ATOM 0 HG SER A 13 0.081 -7.034 9.020 1.00 0.00 H new ATOM 189 N SER A 14 1.343 -9.486 11.032 1.00 0.00 N ATOM 190 CA SER A 14 0.934 -10.770 11.594 1.00 0.00 C ATOM 191 C SER A 14 0.358 -11.653 10.494 1.00 0.00 C ATOM 192 O SER A 14 -0.527 -11.232 9.751 1.00 0.00 O ATOM 193 CB SER A 14 -0.112 -10.557 12.689 1.00 0.00 C ATOM 194 OG SER A 14 0.517 -9.998 13.834 1.00 0.00 O ATOM 0 H SER A 14 0.695 -9.105 10.342 1.00 0.00 H new ATOM 0 HA SER A 14 1.805 -11.259 12.029 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.900 -9.894 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.585 -11.505 12.946 1.00 0.00 H new ATOM 0 HG SER A 14 -0.150 -9.858 14.538 1.00 0.00 H new ATOM 200 N GLY A 15 0.873 -12.870 10.391 1.00 0.00 N ATOM 201 CA GLY A 15 0.407 -13.798 9.368 1.00 0.00 C ATOM 202 C GLY A 15 0.924 -13.389 7.992 1.00 0.00 C ATOM 203 O GLY A 15 2.115 -13.134 7.820 1.00 0.00 O ATOM 0 H GLY A 15 1.607 -13.236 10.997 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.746 -14.807 9.604 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.683 -13.821 9.360 1.00 0.00 H new ATOM 207 N LYS A 16 0.026 -13.342 7.012 1.00 0.00 N ATOM 208 CA LYS A 16 0.406 -12.976 5.647 1.00 0.00 C ATOM 209 C LYS A 16 0.224 -11.480 5.405 1.00 0.00 C ATOM 210 O LYS A 16 0.665 -10.952 4.386 1.00 0.00 O ATOM 211 CB LYS A 16 -0.453 -13.766 4.646 1.00 0.00 C ATOM 212 CG LYS A 16 -0.718 -15.179 5.186 1.00 0.00 C ATOM 213 CD LYS A 16 -1.136 -16.118 4.043 1.00 0.00 C ATOM 214 CE LYS A 16 -2.519 -15.728 3.511 1.00 0.00 C ATOM 215 NZ LYS A 16 -3.517 -15.776 4.617 1.00 0.00 N ATOM 0 H LYS A 16 -0.965 -13.551 7.134 1.00 0.00 H new ATOM 0 HA LYS A 16 1.460 -13.219 5.509 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.397 -13.249 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.056 -13.824 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.178 -15.564 5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.502 -15.145 5.943 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.403 -16.070 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.153 -17.148 4.398 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.485 -14.726 3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.816 -16.407 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.408 -16.180 4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.151 -16.368 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.690 -14.813 4.971 1.00 0.00 H new ATOM 229 N SER A 17 -0.431 -10.799 6.336 1.00 0.00 N ATOM 230 CA SER A 17 -0.663 -9.368 6.184 1.00 0.00 C ATOM 231 C SER A 17 0.656 -8.601 6.178 1.00 0.00 C ATOM 232 O SER A 17 1.610 -8.988 6.852 1.00 0.00 O ATOM 233 CB SER A 17 -1.552 -8.858 7.316 1.00 0.00 C ATOM 234 OG SER A 17 -1.684 -7.447 7.211 1.00 0.00 O ATOM 0 H SER A 17 -0.806 -11.206 7.193 1.00 0.00 H new ATOM 0 HA SER A 17 -1.163 -9.204 5.230 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.533 -9.331 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.120 -9.123 8.281 1.00 0.00 H new ATOM 0 HG SER A 17 -1.745 -7.194 6.266 1.00 0.00 H new ATOM 240 N PHE A 18 0.704 -7.507 5.409 1.00 0.00 N ATOM 241 CA PHE A 18 1.915 -6.681 5.315 1.00 0.00 C ATOM 242 C PHE A 18 1.592 -5.232 5.682 1.00 0.00 C ATOM 243 O PHE A 18 0.641 -4.645 5.164 1.00 0.00 O ATOM 244 CB PHE A 18 2.488 -6.759 3.872 1.00 0.00 C ATOM 245 CG PHE A 18 3.984 -7.046 3.896 1.00 0.00 C ATOM 246 CD1 PHE A 18 4.470 -8.185 4.553 1.00 0.00 C ATOM 247 CD2 PHE A 18 4.881 -6.178 3.260 1.00 0.00 C ATOM 248 CE1 PHE A 18 5.846 -8.448 4.575 1.00 0.00 C ATOM 249 CE2 PHE A 18 6.252 -6.441 3.281 1.00 0.00 C ATOM 250 CZ PHE A 18 6.736 -7.573 3.938 1.00 0.00 C ATOM 0 H PHE A 18 -0.078 -7.174 4.845 1.00 0.00 H new ATOM 0 HA PHE A 18 2.662 -7.056 6.014 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.973 -7.540 3.314 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.302 -5.820 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.784 -8.860 5.042 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.510 -5.301 2.751 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.220 -9.325 5.083 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.938 -5.768 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.797 -7.775 3.956 1.00 0.00 H new ATOM 260 N LYS A 19 2.395 -4.662 6.573 1.00 0.00 N ATOM 261 CA LYS A 19 2.198 -3.282 6.999 1.00 0.00 C ATOM 262 C LYS A 19 2.942 -2.331 6.074 1.00 0.00 C ATOM 263 O LYS A 19 4.161 -2.196 6.169 1.00 0.00 O ATOM 264 CB LYS A 19 2.732 -3.081 8.421 1.00 0.00 C ATOM 265 CG LYS A 19 2.370 -1.660 8.935 1.00 0.00 C ATOM 266 CD LYS A 19 3.565 -1.031 9.656 1.00 0.00 C ATOM 267 CE LYS A 19 3.214 0.401 10.048 1.00 0.00 C ATOM 268 NZ LYS A 19 2.224 0.386 11.162 1.00 0.00 N ATOM 0 H LYS A 19 3.186 -5.132 7.013 1.00 0.00 H new ATOM 0 HA LYS A 19 1.129 -3.073 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.310 -3.835 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.814 -3.215 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.070 -1.030 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.518 -1.718 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.818 -1.612 10.543 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.442 -1.040 9.009 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.113 0.936 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.803 0.933 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.151 1.338 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.295 0.095 10.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.535 -0.285 11.893 1.00 0.00 H new ATOM 282 N LEU A 20 2.207 -1.647 5.204 1.00 0.00 N ATOM 283 CA LEU A 20 2.820 -0.685 4.294 1.00 0.00 C ATOM 284 C LEU A 20 2.620 0.714 4.868 1.00 0.00 C ATOM 285 O LEU A 20 1.558 1.309 4.707 1.00 0.00 O ATOM 286 CB LEU A 20 2.185 -0.777 2.893 1.00 0.00 C ATOM 287 CG LEU A 20 1.818 -2.231 2.564 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.060 -2.269 1.233 1.00 0.00 C ATOM 289 CD2 LEU A 20 3.088 -3.088 2.458 1.00 0.00 C ATOM 0 H LEU A 20 1.196 -1.739 5.109 1.00 0.00 H new ATOM 0 HA LEU A 20 3.883 -0.904 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.293 -0.152 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.880 -0.393 2.146 1.00 0.00 H new ATOM 0 HG LEU A 20 1.190 -2.632 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.796 -3.299 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.152 -1.672 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.692 -1.863 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.814 -4.117 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.728 -2.694 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.625 -3.062 3.406 1.00 0.00 H new ATOM 301 N SER A 21 3.634 1.223 5.557 1.00 0.00 N ATOM 302 CA SER A 21 3.540 2.537 6.165 1.00 0.00 C ATOM 303 C SER A 21 3.627 3.632 5.117 1.00 0.00 C ATOM 304 O SER A 21 4.579 3.677 4.337 1.00 0.00 O ATOM 305 CB SER A 21 4.671 2.717 7.179 1.00 0.00 C ATOM 306 OG SER A 21 4.660 4.056 7.661 1.00 0.00 O ATOM 0 H SER A 21 4.524 0.747 5.706 1.00 0.00 H new ATOM 0 HA SER A 21 2.575 2.612 6.665 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.547 2.019 8.007 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.631 2.493 6.714 1.00 0.00 H new ATOM 0 HG SER A 21 5.382 4.175 8.312 1.00 0.00 H new ATOM 312 N ILE A 22 2.650 4.537 5.116 1.00 0.00 N ATOM 313 CA ILE A 22 2.671 5.642 4.172 1.00 0.00 C ATOM 314 C ILE A 22 3.478 6.765 4.818 1.00 0.00 C ATOM 315 O ILE A 22 3.026 7.358 5.799 1.00 0.00 O ATOM 316 CB ILE A 22 1.238 6.150 3.887 1.00 0.00 C ATOM 317 CG1 ILE A 22 0.202 5.017 3.992 1.00 0.00 C ATOM 318 CG2 ILE A 22 1.181 6.730 2.475 1.00 0.00 C ATOM 319 CD1 ILE A 22 0.438 3.925 2.944 1.00 0.00 C ATOM 0 H ILE A 22 1.849 4.525 5.748 1.00 0.00 H new ATOM 0 HA ILE A 22 3.109 5.319 3.228 1.00 0.00 H new ATOM 0 HB ILE A 22 0.999 6.909 4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.244 4.578 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.800 5.429 3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.173 7.089 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.885 7.558 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.445 5.957 1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.316 3.146 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.369 4.358 1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.429 3.494 3.085 1.00 0.00 H new ATOM 331 N THR A 23 4.669 7.058 4.302 1.00 0.00 N ATOM 332 CA THR A 23 5.482 8.115 4.905 1.00 0.00 C ATOM 333 C THR A 23 5.149 9.465 4.282 1.00 0.00 C ATOM 334 O THR A 23 5.366 9.694 3.096 1.00 0.00 O ATOM 335 CB THR A 23 6.972 7.783 4.748 1.00 0.00 C ATOM 336 OG1 THR A 23 7.304 6.714 5.622 1.00 0.00 O ATOM 337 CG2 THR A 23 7.830 9.004 5.092 1.00 0.00 C ATOM 0 H THR A 23 5.085 6.596 3.493 1.00 0.00 H new ATOM 0 HA THR A 23 5.255 8.176 5.969 1.00 0.00 H new ATOM 0 HB THR A 23 7.166 7.497 3.714 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.254 6.496 5.525 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.884 8.752 4.976 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.577 9.826 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.640 9.303 6.123 1.00 0.00 H new ATOM 345 N LYS A 24 4.611 10.351 5.117 1.00 0.00 N ATOM 346 CA LYS A 24 4.222 11.691 4.695 1.00 0.00 C ATOM 347 C LYS A 24 5.203 12.257 3.679 1.00 0.00 C ATOM 348 O LYS A 24 6.312 12.664 4.024 1.00 0.00 O ATOM 349 CB LYS A 24 4.176 12.604 5.923 1.00 0.00 C ATOM 350 CG LYS A 24 3.161 12.050 6.956 1.00 0.00 C ATOM 351 CD LYS A 24 3.654 12.312 8.390 1.00 0.00 C ATOM 352 CE LYS A 24 4.663 11.230 8.804 1.00 0.00 C ATOM 353 NZ LYS A 24 5.102 11.474 10.207 1.00 0.00 N ATOM 0 H LYS A 24 4.433 10.159 6.103 1.00 0.00 H new ATOM 0 HA LYS A 24 3.241 11.636 4.223 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.166 12.672 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 24 3.891 13.613 5.626 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.189 12.520 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 24 3.024 10.980 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.119 13.296 8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.809 12.316 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.209 10.243 8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.523 11.244 8.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.785 10.742 10.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.550 12.410 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.277 11.440 10.840 1.00 0.00 H new ATOM 367 N GLN A 25 4.774 12.289 2.425 1.00 0.00 N ATOM 368 CA GLN A 25 5.602 12.817 1.346 1.00 0.00 C ATOM 369 C GLN A 25 5.311 14.298 1.157 1.00 0.00 C ATOM 370 O GLN A 25 4.354 14.824 1.723 1.00 0.00 O ATOM 371 CB GLN A 25 5.293 12.084 0.041 1.00 0.00 C ATOM 372 CG GLN A 25 5.480 10.582 0.240 1.00 0.00 C ATOM 373 CD GLN A 25 5.343 9.861 -1.098 1.00 0.00 C ATOM 374 OE1 GLN A 25 4.559 8.823 -1.189 1.00 0.00 O flip ATOM 375 NE2 GLN A 25 5.967 10.254 -2.083 1.00 0.00 N flip ATOM 0 H GLN A 25 3.857 11.956 2.128 1.00 0.00 H new ATOM 0 HA GLN A 25 6.651 12.673 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.271 12.295 -0.273 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.950 12.440 -0.752 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.461 10.383 0.672 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.739 10.204 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.579 11.066 -2.008 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.872 9.767 -2.974 1.00 0.00 H new ATOM 384 N ASP A 26 6.120 14.966 0.347 1.00 0.00 N ATOM 385 CA ASP A 26 5.900 16.380 0.094 1.00 0.00 C ATOM 386 C ASP A 26 4.539 16.553 -0.568 1.00 0.00 C ATOM 387 O ASP A 26 4.343 16.158 -1.719 1.00 0.00 O ATOM 388 CB ASP A 26 7.000 16.931 -0.815 1.00 0.00 C ATOM 389 CG ASP A 26 6.875 18.447 -0.926 1.00 0.00 C ATOM 390 OD1 ASP A 26 5.903 18.980 -0.416 1.00 0.00 O ATOM 391 OD2 ASP A 26 7.755 19.052 -1.516 1.00 0.00 O ATOM 0 H ASP A 26 6.920 14.560 -0.138 1.00 0.00 H new ATOM 0 HA ASP A 26 5.925 16.930 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.979 16.667 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.926 16.478 -1.804 1.00 0.00 H new ATOM 396 N ASP A 27 3.592 17.114 0.175 1.00 0.00 N ATOM 397 CA ASP A 27 2.239 17.298 -0.340 1.00 0.00 C ATOM 398 C ASP A 27 2.242 18.242 -1.538 1.00 0.00 C ATOM 399 O ASP A 27 3.003 19.208 -1.584 1.00 0.00 O ATOM 400 CB ASP A 27 1.331 17.851 0.767 1.00 0.00 C ATOM 401 CG ASP A 27 1.541 17.060 2.055 1.00 0.00 C ATOM 402 OD1 ASP A 27 1.335 15.859 2.030 1.00 0.00 O ATOM 403 OD2 ASP A 27 1.909 17.668 3.046 1.00 0.00 O ATOM 0 H ASP A 27 3.733 17.447 1.129 1.00 0.00 H new ATOM 0 HA ASP A 27 1.857 16.331 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.551 18.905 0.937 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.288 17.789 0.458 1.00 0.00 H new ATOM 408 N GLY A 28 1.389 17.940 -2.512 1.00 0.00 N ATOM 409 CA GLY A 28 1.293 18.748 -3.722 1.00 0.00 C ATOM 410 C GLY A 28 1.237 20.236 -3.396 1.00 0.00 C ATOM 411 O GLY A 28 1.511 21.078 -4.251 1.00 0.00 O ATOM 0 H GLY A 28 0.755 17.142 -2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.151 18.547 -4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.402 18.463 -4.282 1.00 0.00 H new ATOM 415 N GLY A 29 0.881 20.558 -2.154 1.00 0.00 N ATOM 416 CA GLY A 29 0.793 21.957 -1.727 1.00 0.00 C ATOM 417 C GLY A 29 -0.393 22.181 -0.793 1.00 0.00 C ATOM 418 O GLY A 29 -0.635 23.304 -0.349 1.00 0.00 O ATOM 0 H GLY A 29 0.650 19.878 -1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.715 22.243 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.696 22.600 -2.601 1.00 0.00 H new ATOM 422 N ALA A 30 -1.131 21.111 -0.492 1.00 0.00 N ATOM 423 CA ALA A 30 -2.289 21.211 0.396 1.00 0.00 C ATOM 424 C ALA A 30 -2.377 19.961 1.271 1.00 0.00 C ATOM 425 O ALA A 30 -1.925 18.888 0.870 1.00 0.00 O ATOM 426 CB ALA A 30 -3.570 21.369 -0.436 1.00 0.00 C ATOM 0 H ALA A 30 -0.949 20.172 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.177 22.084 1.039 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.430 21.443 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.501 22.273 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.690 20.504 -1.088 1.00 0.00 H new ATOM 432 N PRO A 31 -2.939 20.070 2.451 1.00 0.00 N ATOM 433 CA PRO A 31 -3.061 18.906 3.372 1.00 0.00 C ATOM 434 C PRO A 31 -3.974 17.830 2.791 1.00 0.00 C ATOM 435 O PRO A 31 -5.023 18.131 2.221 1.00 0.00 O ATOM 436 CB PRO A 31 -3.645 19.517 4.661 1.00 0.00 C ATOM 437 CG PRO A 31 -4.332 20.769 4.218 1.00 0.00 C ATOM 438 CD PRO A 31 -3.520 21.292 3.033 1.00 0.00 C ATOM 0 HA PRO A 31 -2.109 18.403 3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.344 18.832 5.141 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.861 19.733 5.386 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.363 20.567 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.366 21.503 5.023 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.150 21.819 2.316 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.747 21.991 3.353 1.00 0.00 H new ATOM 446 N ILE A 32 -3.560 16.580 2.937 1.00 0.00 N ATOM 447 CA ILE A 32 -4.337 15.458 2.419 1.00 0.00 C ATOM 448 C ILE A 32 -5.437 15.049 3.391 1.00 0.00 C ATOM 449 O ILE A 32 -5.192 14.859 4.582 1.00 0.00 O ATOM 450 CB ILE A 32 -3.409 14.266 2.166 1.00 0.00 C ATOM 451 CG1 ILE A 32 -2.404 14.613 1.026 1.00 0.00 C ATOM 452 CG2 ILE A 32 -4.255 13.034 1.789 1.00 0.00 C ATOM 453 CD1 ILE A 32 -0.963 14.381 1.488 1.00 0.00 C ATOM 0 H ILE A 32 -2.695 16.315 3.407 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.806 15.771 1.486 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.841 14.042 3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.614 13.999 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.532 15.653 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.598 12.183 1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.938 12.798 2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.828 13.248 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.277 14.629 0.678 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.751 15.014 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.834 13.335 1.766 1.00 0.00 H new ATOM 465 N LEU A 33 -6.648 14.898 2.864 1.00 0.00 N ATOM 466 CA LEU A 33 -7.789 14.492 3.682 1.00 0.00 C ATOM 467 C LEU A 33 -7.846 12.967 3.795 1.00 0.00 C ATOM 468 O LEU A 33 -8.102 12.425 4.870 1.00 0.00 O ATOM 469 CB LEU A 33 -9.093 15.021 3.058 1.00 0.00 C ATOM 470 CG LEU A 33 -9.322 16.493 3.454 1.00 0.00 C ATOM 471 CD1 LEU A 33 -9.646 16.618 4.957 1.00 0.00 C ATOM 472 CD2 LEU A 33 -8.066 17.311 3.120 1.00 0.00 C ATOM 0 H LEU A 33 -6.866 15.049 1.879 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.673 14.912 4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.045 14.933 1.973 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.935 14.414 3.390 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.173 16.877 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.803 17.667 5.209 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.549 16.051 5.183 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.815 16.224 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.225 18.353 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.215 16.913 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.865 17.249 2.051 1.00 0.00 H new ATOM 484 N GLU A 34 -7.613 12.281 2.673 1.00 0.00 N ATOM 485 CA GLU A 34 -7.650 10.815 2.648 1.00 0.00 C ATOM 486 C GLU A 34 -6.648 10.247 1.659 1.00 0.00 C ATOM 487 O GLU A 34 -6.191 10.935 0.746 1.00 0.00 O ATOM 488 CB GLU A 34 -9.051 10.325 2.261 1.00 0.00 C ATOM 489 CG GLU A 34 -9.982 10.468 3.452 1.00 0.00 C ATOM 490 CD GLU A 34 -11.402 10.071 3.061 1.00 0.00 C ATOM 491 OE1 GLU A 34 -11.591 9.673 1.924 1.00 0.00 O ATOM 492 OE2 GLU A 34 -12.278 10.173 3.904 1.00 0.00 O ATOM 0 H GLU A 34 -7.398 12.713 1.775 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.392 10.470 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.430 10.902 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.009 9.284 1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.634 9.840 4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.970 11.497 3.811 1.00 0.00 H new ATOM 499 N TYR A 35 -6.332 8.967 1.845 1.00 0.00 N ATOM 500 CA TYR A 35 -5.401 8.267 0.967 1.00 0.00 C ATOM 501 C TYR A 35 -6.125 7.157 0.214 1.00 0.00 C ATOM 502 O TYR A 35 -6.731 6.277 0.820 1.00 0.00 O ATOM 503 CB TYR A 35 -4.259 7.650 1.794 1.00 0.00 C ATOM 504 CG TYR A 35 -3.178 8.675 2.061 1.00 0.00 C ATOM 505 CD1 TYR A 35 -3.485 9.833 2.773 1.00 0.00 C ATOM 506 CD2 TYR A 35 -1.870 8.453 1.615 1.00 0.00 C ATOM 507 CE1 TYR A 35 -2.482 10.775 3.046 1.00 0.00 C ATOM 508 CE2 TYR A 35 -0.869 9.395 1.883 1.00 0.00 C ATOM 509 CZ TYR A 35 -1.175 10.553 2.598 1.00 0.00 C ATOM 510 OH TYR A 35 -0.184 11.474 2.873 1.00 0.00 O ATOM 0 H TYR A 35 -6.709 8.393 2.599 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.991 8.983 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.650 7.272 2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.836 6.799 1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.495 10.005 3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.633 7.555 1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.718 11.671 3.601 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.140 9.225 1.536 1.00 0.00 H new ATOM 0 HH TYR A 35 0.664 11.166 2.491 1.00 0.00 H new ATOM 520 N ILE A 36 -6.029 7.188 -1.108 1.00 0.00 N ATOM 521 CA ILE A 36 -6.651 6.160 -1.933 1.00 0.00 C ATOM 522 C ILE A 36 -5.602 5.130 -2.316 1.00 0.00 C ATOM 523 O ILE A 36 -4.648 5.436 -3.032 1.00 0.00 O ATOM 524 CB ILE A 36 -7.240 6.793 -3.193 1.00 0.00 C ATOM 525 CG1 ILE A 36 -8.262 7.852 -2.780 1.00 0.00 C ATOM 526 CG2 ILE A 36 -7.914 5.707 -4.044 1.00 0.00 C ATOM 527 CD1 ILE A 36 -8.712 8.648 -4.007 1.00 0.00 C ATOM 0 H ILE A 36 -5.530 7.908 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.452 5.677 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.452 7.261 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.122 7.376 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.825 8.523 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.334 6.158 -4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.176 4.956 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.710 5.236 -3.468 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.440 9.401 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.850 9.138 -4.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.167 7.973 -4.732 1.00 0.00 H new ATOM 539 N VAL A 37 -5.779 3.911 -1.820 1.00 0.00 N ATOM 540 CA VAL A 37 -4.839 2.829 -2.091 1.00 0.00 C ATOM 541 C VAL A 37 -5.504 1.776 -2.956 1.00 0.00 C ATOM 542 O VAL A 37 -6.576 1.271 -2.622 1.00 0.00 O ATOM 543 CB VAL A 37 -4.402 2.182 -0.767 1.00 0.00 C ATOM 544 CG1 VAL A 37 -3.554 0.935 -1.063 1.00 0.00 C ATOM 545 CG2 VAL A 37 -3.597 3.194 0.092 1.00 0.00 C ATOM 0 H VAL A 37 -6.566 3.647 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.970 3.235 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.287 1.888 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.243 0.475 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.144 0.222 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.672 1.222 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.295 2.720 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.710 3.512 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.219 4.062 0.310 1.00 0.00 H new ATOM 555 N LYS A 38 -4.850 1.427 -4.059 1.00 0.00 N ATOM 556 CA LYS A 38 -5.372 0.405 -4.956 1.00 0.00 C ATOM 557 C LYS A 38 -4.282 -0.616 -5.228 1.00 0.00 C ATOM 558 O LYS A 38 -3.166 -0.254 -5.592 1.00 0.00 O ATOM 559 CB LYS A 38 -5.839 1.033 -6.272 1.00 0.00 C ATOM 560 CG LYS A 38 -6.989 2.006 -5.991 1.00 0.00 C ATOM 561 CD LYS A 38 -7.471 2.643 -7.304 1.00 0.00 C ATOM 562 CE LYS A 38 -8.424 1.693 -8.040 1.00 0.00 C ATOM 563 NZ LYS A 38 -9.086 2.424 -9.157 1.00 0.00 N ATOM 0 H LYS A 38 -3.962 1.835 -4.351 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.227 -0.082 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.012 1.558 -6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.166 0.256 -6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.813 1.479 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.659 2.782 -5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.977 3.586 -7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.616 2.875 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.873 0.836 -8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.173 1.305 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.733 1.781 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.624 3.228 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.364 2.773 -9.819 1.00 0.00 H new ATOM 577 N TYR A 39 -4.600 -1.894 -5.043 1.00 0.00 N ATOM 578 CA TYR A 39 -3.614 -2.953 -5.263 1.00 0.00 C ATOM 579 C TYR A 39 -4.242 -4.117 -6.018 1.00 0.00 C ATOM 580 O TYR A 39 -5.451 -4.339 -5.943 1.00 0.00 O ATOM 581 CB TYR A 39 -3.062 -3.442 -3.919 1.00 0.00 C ATOM 582 CG TYR A 39 -4.161 -4.083 -3.100 1.00 0.00 C ATOM 583 CD1 TYR A 39 -5.066 -3.286 -2.387 1.00 0.00 C ATOM 584 CD2 TYR A 39 -4.265 -5.480 -3.050 1.00 0.00 C ATOM 585 CE1 TYR A 39 -6.076 -3.888 -1.627 1.00 0.00 C ATOM 586 CE2 TYR A 39 -5.274 -6.080 -2.286 1.00 0.00 C ATOM 587 CZ TYR A 39 -6.180 -5.285 -1.576 1.00 0.00 C ATOM 588 OH TYR A 39 -7.174 -5.875 -0.822 1.00 0.00 O ATOM 0 H TYR A 39 -5.519 -2.221 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.797 -2.548 -5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.259 -4.160 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.631 -2.605 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.985 -2.210 -2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.567 -6.094 -3.600 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.776 -3.275 -1.079 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.353 -7.156 -2.245 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.106 -6.850 -0.896 1.00 0.00 H new ATOM 598 N ARG A 40 -3.413 -4.858 -6.751 1.00 0.00 N ATOM 599 CA ARG A 40 -3.893 -6.002 -7.527 1.00 0.00 C ATOM 600 C ARG A 40 -2.883 -7.139 -7.492 1.00 0.00 C ATOM 601 O ARG A 40 -1.773 -6.971 -7.000 1.00 0.00 O ATOM 602 CB ARG A 40 -4.131 -5.594 -8.982 1.00 0.00 C ATOM 603 CG ARG A 40 -2.844 -4.997 -9.597 1.00 0.00 C ATOM 604 CD ARG A 40 -2.838 -5.220 -11.110 1.00 0.00 C ATOM 605 NE ARG A 40 -1.599 -4.714 -11.693 1.00 0.00 N ATOM 606 CZ ARG A 40 -1.467 -4.562 -13.006 1.00 0.00 C ATOM 607 NH1 ARG A 40 -2.464 -4.843 -13.800 1.00 0.00 N ATOM 608 NH2 ARG A 40 -0.339 -4.131 -13.500 1.00 0.00 N ATOM 0 H ARG A 40 -2.410 -4.689 -6.824 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.829 -6.339 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.449 -6.461 -9.561 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.938 -4.863 -9.033 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.786 -3.931 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.966 -5.463 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.943 -6.283 -11.328 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.693 -4.716 -11.562 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.820 -4.473 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.345 -5.180 -13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.362 -4.726 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.439 -3.912 -12.878 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.235 -4.014 -14.508 1.00 0.00 H new ATOM 622 N SER A 41 -3.271 -8.286 -8.040 1.00 0.00 N ATOM 623 CA SER A 41 -2.381 -9.438 -8.084 1.00 0.00 C ATOM 624 C SER A 41 -1.466 -9.333 -9.296 1.00 0.00 C ATOM 625 O SER A 41 -1.906 -8.967 -10.385 1.00 0.00 O ATOM 626 CB SER A 41 -3.200 -10.728 -8.160 1.00 0.00 C ATOM 627 OG SER A 41 -3.726 -11.026 -6.873 1.00 0.00 O ATOM 0 H SER A 41 -4.189 -8.441 -8.457 1.00 0.00 H new ATOM 0 HA SER A 41 -1.775 -9.457 -7.178 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.011 -10.616 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.575 -11.550 -8.509 1.00 0.00 H new ATOM 0 HG SER A 41 -4.253 -11.851 -6.918 1.00 0.00 H new ATOM 633 N LYS A 42 -0.196 -9.659 -9.106 1.00 0.00 N ATOM 634 CA LYS A 42 0.755 -9.596 -10.201 1.00 0.00 C ATOM 635 C LYS A 42 0.378 -10.578 -11.304 1.00 0.00 C ATOM 636 O LYS A 42 0.516 -10.272 -12.489 1.00 0.00 O ATOM 637 CB LYS A 42 2.170 -9.876 -9.680 1.00 0.00 C ATOM 638 CG LYS A 42 2.698 -8.614 -8.986 1.00 0.00 C ATOM 639 CD LYS A 42 4.170 -8.778 -8.615 1.00 0.00 C ATOM 640 CE LYS A 42 4.709 -7.429 -8.123 1.00 0.00 C ATOM 641 NZ LYS A 42 5.142 -6.614 -9.293 1.00 0.00 N ATOM 0 H LYS A 42 0.194 -9.966 -8.215 1.00 0.00 H new ATOM 0 HA LYS A 42 0.732 -8.593 -10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.157 -10.713 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.827 -10.157 -10.503 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.577 -7.754 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.112 -8.414 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.281 -9.535 -7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.741 -9.120 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.939 -6.900 -7.562 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.547 -7.585 -7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.955 -6.025 -9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.415 -7.245 -10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.358 -6.003 -9.600 1.00 0.00 H new ATOM 655 N ASP A 43 -0.103 -11.752 -10.917 1.00 0.00 N ATOM 656 CA ASP A 43 -0.501 -12.754 -11.898 1.00 0.00 C ATOM 657 C ASP A 43 -1.672 -12.246 -12.738 1.00 0.00 C ATOM 658 O ASP A 43 -1.698 -12.426 -13.956 1.00 0.00 O ATOM 659 CB ASP A 43 -0.903 -14.049 -11.193 1.00 0.00 C ATOM 660 CG ASP A 43 0.332 -14.742 -10.626 1.00 0.00 C ATOM 661 OD1 ASP A 43 1.428 -14.372 -11.017 1.00 0.00 O ATOM 662 OD2 ASP A 43 0.165 -15.632 -9.809 1.00 0.00 O ATOM 0 H ASP A 43 -0.226 -12.032 -9.944 1.00 0.00 H new ATOM 0 HA ASP A 43 0.348 -12.948 -12.554 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.608 -13.832 -10.391 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.412 -14.711 -11.894 1.00 0.00 H new ATOM 667 N LYS A 44 -2.644 -11.618 -12.073 1.00 0.00 N ATOM 668 CA LYS A 44 -3.828 -11.088 -12.748 1.00 0.00 C ATOM 669 C LYS A 44 -3.727 -9.583 -12.920 1.00 0.00 C ATOM 670 O LYS A 44 -3.668 -8.829 -11.949 1.00 0.00 O ATOM 671 CB LYS A 44 -5.083 -11.426 -11.931 1.00 0.00 C ATOM 672 CG LYS A 44 -5.211 -12.948 -11.791 1.00 0.00 C ATOM 673 CD LYS A 44 -5.863 -13.554 -13.050 1.00 0.00 C ATOM 674 CE LYS A 44 -5.443 -15.013 -13.183 1.00 0.00 C ATOM 675 NZ LYS A 44 -6.254 -15.675 -14.244 1.00 0.00 N ATOM 0 H LYS A 44 -2.633 -11.464 -11.065 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.894 -11.546 -13.735 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.023 -10.964 -10.946 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.968 -11.020 -12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.226 -13.389 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.810 -13.189 -10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.948 -13.481 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.560 -12.995 -13.935 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.383 -15.075 -13.430 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.580 -15.529 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.965 -16.670 -14.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.262 -15.628 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.102 -15.189 -15.151 1.00 0.00 H new ATOM 689 N GLU A 45 -3.715 -9.163 -14.175 1.00 0.00 N ATOM 690 CA GLU A 45 -3.627 -7.739 -14.519 1.00 0.00 C ATOM 691 C GLU A 45 -4.905 -7.273 -15.211 1.00 0.00 C ATOM 692 O GLU A 45 -4.860 -6.733 -16.317 1.00 0.00 O ATOM 693 CB GLU A 45 -2.436 -7.507 -15.453 1.00 0.00 C ATOM 694 CG GLU A 45 -1.132 -7.758 -14.692 1.00 0.00 C ATOM 695 CD GLU A 45 0.056 -7.613 -15.636 1.00 0.00 C ATOM 696 OE1 GLU A 45 -0.164 -7.273 -16.786 1.00 0.00 O ATOM 697 OE2 GLU A 45 1.170 -7.847 -15.194 1.00 0.00 O ATOM 0 H GLU A 45 -3.765 -9.786 -14.981 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.494 -7.169 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.501 -8.173 -16.314 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.455 -6.487 -15.837 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.040 -7.051 -13.867 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.142 -8.757 -14.256 1.00 0.00 H new ATOM 704 N ASP A 46 -6.049 -7.490 -14.560 1.00 0.00 N ATOM 705 CA ASP A 46 -7.339 -7.087 -15.132 1.00 0.00 C ATOM 706 C ASP A 46 -8.284 -6.561 -14.052 1.00 0.00 C ATOM 707 O ASP A 46 -9.449 -6.278 -14.326 1.00 0.00 O ATOM 708 CB ASP A 46 -7.987 -8.282 -15.837 1.00 0.00 C ATOM 709 CG ASP A 46 -7.895 -9.522 -14.954 1.00 0.00 C ATOM 710 OD1 ASP A 46 -6.788 -9.975 -14.718 1.00 0.00 O ATOM 711 OD2 ASP A 46 -8.934 -9.999 -14.530 1.00 0.00 O ATOM 0 H ASP A 46 -6.111 -7.938 -13.646 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.156 -6.286 -15.848 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.031 -8.061 -16.060 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.490 -8.466 -16.789 1.00 0.00 H new ATOM 716 N GLN A 47 -7.785 -6.435 -12.823 1.00 0.00 N ATOM 717 CA GLN A 47 -8.609 -5.945 -11.713 1.00 0.00 C ATOM 718 C GLN A 47 -7.784 -5.089 -10.755 1.00 0.00 C ATOM 719 O GLN A 47 -6.572 -5.271 -10.634 1.00 0.00 O ATOM 720 CB GLN A 47 -9.205 -7.126 -10.939 1.00 0.00 C ATOM 721 CG GLN A 47 -10.243 -7.846 -11.802 1.00 0.00 C ATOM 722 CD GLN A 47 -10.816 -9.036 -11.038 1.00 0.00 C ATOM 723 OE1 GLN A 47 -10.488 -9.238 -9.869 1.00 0.00 O ATOM 724 NE2 GLN A 47 -11.658 -9.838 -11.630 1.00 0.00 N ATOM 0 H GLN A 47 -6.824 -6.662 -12.570 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.408 -5.335 -12.134 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.415 -7.819 -10.652 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.668 -6.772 -10.018 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.043 -7.158 -12.074 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.785 -8.185 -12.731 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.928 -9.669 -12.599 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.046 -10.634 -11.124 1.00 0.00 H new ATOM 733 N TRP A 48 -8.453 -4.162 -10.069 1.00 0.00 N ATOM 734 CA TRP A 48 -7.784 -3.282 -9.107 1.00 0.00 C ATOM 735 C TRP A 48 -8.668 -3.049 -7.886 1.00 0.00 C ATOM 736 O TRP A 48 -9.695 -2.375 -7.961 1.00 0.00 O ATOM 737 CB TRP A 48 -7.417 -1.944 -9.766 1.00 0.00 C ATOM 738 CG TRP A 48 -6.171 -2.099 -10.584 1.00 0.00 C ATOM 739 CD1 TRP A 48 -6.125 -2.497 -11.876 1.00 0.00 C ATOM 740 CD2 TRP A 48 -4.792 -1.857 -10.181 1.00 0.00 C ATOM 741 NE1 TRP A 48 -4.802 -2.515 -12.289 1.00 0.00 N ATOM 742 CE2 TRP A 48 -3.945 -2.126 -11.278 1.00 0.00 C ATOM 743 CE3 TRP A 48 -4.202 -1.433 -8.978 1.00 0.00 C ATOM 744 CZ2 TRP A 48 -2.559 -1.978 -11.190 1.00 0.00 C ATOM 745 CZ3 TRP A 48 -2.811 -1.285 -8.883 1.00 0.00 C ATOM 746 CH2 TRP A 48 -1.991 -1.557 -9.986 1.00 0.00 C ATOM 0 H TRP A 48 -9.456 -4.000 -10.160 1.00 0.00 H new ATOM 0 HA TRP A 48 -6.866 -3.770 -8.779 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.237 -1.604 -10.399 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.267 -1.182 -9.001 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.978 -2.758 -12.485 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.498 -2.783 -13.225 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.824 -1.220 -8.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.933 -2.187 -12.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.369 -0.959 -7.953 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.920 -1.441 -9.905 1.00 0.00 H new ATOM 757 N LEU A 49 -8.242 -3.612 -6.758 1.00 0.00 N ATOM 758 CA LEU A 49 -8.975 -3.470 -5.500 1.00 0.00 C ATOM 759 C LEU A 49 -8.798 -2.055 -4.958 1.00 0.00 C ATOM 760 O LEU A 49 -7.874 -1.357 -5.358 1.00 0.00 O ATOM 761 CB LEU A 49 -8.461 -4.484 -4.475 1.00 0.00 C ATOM 762 CG LEU A 49 -8.616 -5.911 -5.023 1.00 0.00 C ATOM 763 CD1 LEU A 49 -8.008 -6.906 -4.029 1.00 0.00 C ATOM 764 CD2 LEU A 49 -10.107 -6.236 -5.236 1.00 0.00 C ATOM 0 H LEU A 49 -7.392 -4.172 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.033 -3.657 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.414 -4.285 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.014 -4.382 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.098 -5.986 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -8.117 -7.919 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.950 -6.682 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.524 -6.826 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -10.207 -7.249 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.636 -6.158 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -10.535 -5.531 -5.948 1.00 0.00 H new ATOM 776 N GLU A 50 -9.699 -1.624 -4.065 1.00 0.00 N ATOM 777 CA GLU A 50 -9.630 -0.268 -3.492 1.00 0.00 C ATOM 778 C GLU A 50 -9.522 -0.303 -1.969 1.00 0.00 C ATOM 779 O GLU A 50 -10.051 -1.202 -1.315 1.00 0.00 O ATOM 780 CB GLU A 50 -10.863 0.536 -3.908 1.00 0.00 C ATOM 781 CG GLU A 50 -12.122 -0.149 -3.381 1.00 0.00 C ATOM 782 CD GLU A 50 -13.361 0.607 -3.848 1.00 0.00 C ATOM 783 OE1 GLU A 50 -13.439 1.796 -3.586 1.00 0.00 O ATOM 784 OE2 GLU A 50 -14.214 -0.014 -4.460 1.00 0.00 O ATOM 0 H GLU A 50 -10.479 -2.187 -3.725 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.731 0.212 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.797 1.551 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.908 0.616 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.160 -1.180 -3.734 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.097 -0.186 -2.292 1.00 0.00 H new ATOM 791 N LYS A 51 -8.823 0.691 -1.419 1.00 0.00 N ATOM 792 CA LYS A 51 -8.623 0.796 0.026 1.00 0.00 C ATOM 793 C LYS A 51 -8.421 2.272 0.393 1.00 0.00 C ATOM 794 O LYS A 51 -7.434 2.884 0.003 1.00 0.00 O ATOM 795 CB LYS A 51 -7.410 -0.087 0.409 1.00 0.00 C ATOM 796 CG LYS A 51 -6.816 0.247 1.813 1.00 0.00 C ATOM 797 CD LYS A 51 -7.342 -0.720 2.893 1.00 0.00 C ATOM 798 CE LYS A 51 -8.810 -0.423 3.211 1.00 0.00 C ATOM 799 NZ LYS A 51 -9.158 -1.028 4.527 1.00 0.00 N ATOM 0 H LYS A 51 -8.384 1.438 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.489 0.440 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.713 -1.134 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.631 0.033 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.728 0.191 1.772 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.073 1.271 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.240 -1.749 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.742 -0.625 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.978 0.654 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.453 -0.828 2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.155 -0.829 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.011 -2.057 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.551 -0.621 5.267 1.00 0.00 H new ATOM 813 N LYS A 52 -9.372 2.841 1.137 1.00 0.00 N ATOM 814 CA LYS A 52 -9.293 4.255 1.537 1.00 0.00 C ATOM 815 C LYS A 52 -8.724 4.386 2.948 1.00 0.00 C ATOM 816 O LYS A 52 -8.970 3.537 3.806 1.00 0.00 O ATOM 817 CB LYS A 52 -10.696 4.875 1.517 1.00 0.00 C ATOM 818 CG LYS A 52 -11.387 4.640 0.164 1.00 0.00 C ATOM 819 CD LYS A 52 -10.758 5.508 -0.933 1.00 0.00 C ATOM 820 CE LYS A 52 -11.541 5.310 -2.234 1.00 0.00 C ATOM 821 NZ LYS A 52 -10.987 6.201 -3.293 1.00 0.00 N ATOM 0 H LYS A 52 -10.201 2.352 1.474 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.639 4.772 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.299 4.444 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.627 5.945 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -11.309 3.588 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -12.449 4.869 0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.775 6.557 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.713 5.234 -1.077 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.480 4.269 -2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.596 5.533 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.761 6.546 -3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.507 7.010 -2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.307 5.670 -3.873 1.00 0.00 H new ATOM 835 N VAL A 53 -7.966 5.465 3.193 1.00 0.00 N ATOM 836 CA VAL A 53 -7.376 5.700 4.515 1.00 0.00 C ATOM 837 C VAL A 53 -7.478 7.174 4.909 1.00 0.00 C ATOM 838 O VAL A 53 -7.659 8.053 4.066 1.00 0.00 O ATOM 839 CB VAL A 53 -5.894 5.242 4.564 1.00 0.00 C ATOM 840 CG1 VAL A 53 -5.626 4.481 5.865 1.00 0.00 C ATOM 841 CG2 VAL A 53 -5.582 4.330 3.370 1.00 0.00 C ATOM 0 H VAL A 53 -7.750 6.181 2.499 1.00 0.00 H new ATOM 0 HA VAL A 53 -7.944 5.106 5.231 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.255 6.124 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.584 4.163 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.829 5.132 6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.274 3.606 5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.539 4.015 3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.228 3.453 3.404 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.757 4.874 2.442 1.00 0.00 H new ATOM 851 N GLN A 54 -7.344 7.415 6.206 1.00 0.00 N ATOM 852 CA GLN A 54 -7.400 8.764 6.756 1.00 0.00 C ATOM 853 C GLN A 54 -6.028 9.432 6.614 1.00 0.00 C ATOM 854 O GLN A 54 -4.996 8.803 6.849 1.00 0.00 O ATOM 855 CB GLN A 54 -7.833 8.681 8.227 1.00 0.00 C ATOM 856 CG GLN A 54 -7.921 10.077 8.840 1.00 0.00 C ATOM 857 CD GLN A 54 -8.667 10.016 10.169 1.00 0.00 C ATOM 858 OE1 GLN A 54 -9.111 8.947 10.585 1.00 0.00 O ATOM 859 NE2 GLN A 54 -8.833 11.110 10.864 1.00 0.00 N ATOM 0 H GLN A 54 -7.194 6.686 6.904 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.126 9.369 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.800 8.184 8.300 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.121 8.076 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.920 10.480 8.993 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.435 10.752 8.156 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.464 11.995 10.517 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.332 11.079 11.753 1.00 0.00 H new ATOM 868 N GLY A 55 -6.020 10.695 6.190 1.00 0.00 N ATOM 869 CA GLY A 55 -4.764 11.421 5.978 1.00 0.00 C ATOM 870 C GLY A 55 -3.881 11.422 7.220 1.00 0.00 C ATOM 871 O GLY A 55 -2.729 11.852 7.170 1.00 0.00 O ATOM 0 H GLY A 55 -6.861 11.235 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.221 10.968 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.985 12.449 5.691 1.00 0.00 H new ATOM 875 N ASN A 56 -4.418 10.937 8.328 1.00 0.00 N ATOM 876 CA ASN A 56 -3.668 10.879 9.582 1.00 0.00 C ATOM 877 C ASN A 56 -3.279 9.440 9.900 1.00 0.00 C ATOM 878 O ASN A 56 -2.516 9.187 10.833 1.00 0.00 O ATOM 879 CB ASN A 56 -4.524 11.433 10.722 1.00 0.00 C ATOM 880 CG ASN A 56 -4.869 12.895 10.454 1.00 0.00 C ATOM 881 OD1 ASN A 56 -6.113 13.283 10.513 1.00 0.00 O flip ATOM 882 ND2 ASN A 56 -3.980 13.703 10.183 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.370 10.577 8.389 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.764 11.479 9.475 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.438 10.847 10.819 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.987 11.345 11.667 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.008 13.396 10.138 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.215 14.679 10.004 1.00 0.00 H new ATOM 889 N LYS A 57 -3.823 8.498 9.134 1.00 0.00 N ATOM 890 CA LYS A 57 -3.534 7.088 9.366 1.00 0.00 C ATOM 891 C LYS A 57 -2.051 6.806 9.111 1.00 0.00 C ATOM 892 O LYS A 57 -1.371 6.190 9.932 1.00 0.00 O ATOM 893 CB LYS A 57 -4.395 6.216 8.428 1.00 0.00 C ATOM 894 CG LYS A 57 -4.680 4.839 9.080 1.00 0.00 C ATOM 895 CD LYS A 57 -6.036 4.889 9.800 1.00 0.00 C ATOM 896 CE LYS A 57 -6.293 3.565 10.525 1.00 0.00 C ATOM 897 NZ LYS A 57 -5.526 3.542 11.801 1.00 0.00 N ATOM 0 H LYS A 57 -4.458 8.683 8.357 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.770 6.846 10.402 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.335 6.724 8.210 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.880 6.076 7.477 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.688 4.058 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.889 4.588 9.787 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.048 5.712 10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.832 5.080 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.358 3.449 10.726 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.995 2.728 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.058 3.007 12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.604 3.087 11.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.379 4.516 12.135 1.00 0.00 H new ATOM 911 N ASP A 58 -1.566 7.275 7.963 1.00 0.00 N ATOM 912 CA ASP A 58 -0.169 7.092 7.585 1.00 0.00 C ATOM 913 C ASP A 58 0.250 5.624 7.687 1.00 0.00 C ATOM 914 O ASP A 58 1.403 5.331 8.005 1.00 0.00 O ATOM 915 CB ASP A 58 0.727 7.939 8.490 1.00 0.00 C ATOM 916 CG ASP A 58 0.564 9.418 8.155 1.00 0.00 C ATOM 917 OD1 ASP A 58 0.025 9.711 7.101 1.00 0.00 O ATOM 918 OD2 ASP A 58 0.982 10.236 8.957 1.00 0.00 O ATOM 0 H ASP A 58 -2.123 7.786 7.278 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.058 7.409 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.470 7.765 9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.768 7.642 8.364 1.00 0.00 H new ATOM 923 N HIS A 59 -0.682 4.705 7.415 1.00 0.00 N ATOM 924 CA HIS A 59 -0.386 3.267 7.490 1.00 0.00 C ATOM 925 C HIS A 59 -1.629 2.442 7.135 1.00 0.00 C ATOM 926 O HIS A 59 -2.760 2.884 7.341 1.00 0.00 O ATOM 927 CB HIS A 59 0.132 2.895 8.914 1.00 0.00 C ATOM 928 CG HIS A 59 -0.936 2.223 9.745 1.00 0.00 C ATOM 929 ND1 HIS A 59 -1.233 0.902 9.955 1.00 0.00 N flip ATOM 930 CD2 HIS A 59 -1.854 2.942 10.494 1.00 0.00 C flip ATOM 931 CE1 HIS A 59 -2.318 0.795 10.820 1.00 0.00 C flip ATOM 932 NE2 HIS A 59 -2.653 2.054 11.116 1.00 0.00 N flip ATOM 0 H HIS A 59 -1.640 4.926 7.143 1.00 0.00 H new ATOM 0 HA HIS A 59 0.395 3.035 6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.993 2.233 8.825 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.474 3.796 9.423 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -0.734 0.115 9.540 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.917 4.018 10.566 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -2.788 -0.110 11.175 1.00 0.00 H new ATOM 940 N ILE A 60 -1.407 1.232 6.626 1.00 0.00 N ATOM 941 CA ILE A 60 -2.510 0.334 6.276 1.00 0.00 C ATOM 942 C ILE A 60 -2.085 -1.120 6.425 1.00 0.00 C ATOM 943 O ILE A 60 -0.964 -1.494 6.081 1.00 0.00 O ATOM 944 CB ILE A 60 -2.992 0.581 4.829 1.00 0.00 C ATOM 945 CG1 ILE A 60 -1.786 0.870 3.922 1.00 0.00 C ATOM 946 CG2 ILE A 60 -3.969 1.759 4.783 1.00 0.00 C ATOM 947 CD1 ILE A 60 -2.273 1.279 2.534 1.00 0.00 C ATOM 0 H ILE A 60 -0.478 0.850 6.447 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.332 0.542 6.961 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.506 -0.313 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.177 1.664 4.353 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.153 -0.014 3.850 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.298 1.919 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.833 1.540 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.473 2.658 5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.415 1.483 1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.864 0.471 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.888 2.175 2.614 1.00 0.00 H new ATOM 959 N ILE A 61 -3.009 -1.940 6.920 1.00 0.00 N ATOM 960 CA ILE A 61 -2.757 -3.366 7.094 1.00 0.00 C ATOM 961 C ILE A 61 -3.626 -4.149 6.120 1.00 0.00 C ATOM 962 O ILE A 61 -4.850 -4.169 6.245 1.00 0.00 O ATOM 963 CB ILE A 61 -3.101 -3.791 8.523 1.00 0.00 C ATOM 964 CG1 ILE A 61 -2.380 -2.878 9.530 1.00 0.00 C ATOM 965 CG2 ILE A 61 -2.681 -5.247 8.743 1.00 0.00 C ATOM 966 CD1 ILE A 61 -0.855 -2.911 9.332 1.00 0.00 C ATOM 0 H ILE A 61 -3.940 -1.640 7.208 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.703 -3.568 6.904 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.177 -3.702 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.740 -1.855 9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.623 -3.192 10.545 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.927 -5.547 9.762 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.210 -5.889 8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.607 -5.343 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.379 -2.254 10.061 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.492 -3.930 9.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.611 -2.572 8.325 1.00 0.00 H new ATOM 978 N LEU A 62 -2.988 -4.799 5.156 1.00 0.00 N ATOM 979 CA LEU A 62 -3.702 -5.592 4.164 1.00 0.00 C ATOM 980 C LEU A 62 -3.651 -7.052 4.588 1.00 0.00 C ATOM 981 O LEU A 62 -2.619 -7.527 5.038 1.00 0.00 O ATOM 982 CB LEU A 62 -3.044 -5.417 2.793 1.00 0.00 C ATOM 983 CG LEU A 62 -2.932 -3.924 2.456 1.00 0.00 C ATOM 984 CD1 LEU A 62 -2.147 -3.764 1.154 1.00 0.00 C ATOM 985 CD2 LEU A 62 -4.333 -3.307 2.289 1.00 0.00 C ATOM 0 H LEU A 62 -1.975 -4.793 5.040 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.739 -5.264 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.054 -5.874 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.631 -5.928 2.030 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.417 -3.411 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.063 -2.706 0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.150 -4.189 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.667 -4.284 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.238 -2.248 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.860 -3.815 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.894 -3.421 3.217 1.00 0.00 H new ATOM 997 N GLU A 63 -4.778 -7.743 4.481 1.00 0.00 N ATOM 998 CA GLU A 63 -4.874 -9.150 4.891 1.00 0.00 C ATOM 999 C GLU A 63 -5.152 -10.064 3.699 1.00 0.00 C ATOM 1000 O GLU A 63 -5.641 -9.620 2.660 1.00 0.00 O ATOM 1001 CB GLU A 63 -6.010 -9.301 5.906 1.00 0.00 C ATOM 1002 CG GLU A 63 -5.645 -8.578 7.204 1.00 0.00 C ATOM 1003 CD GLU A 63 -6.829 -8.604 8.163 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -7.671 -7.728 8.056 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -6.879 -9.500 8.990 1.00 0.00 O ATOM 0 H GLU A 63 -5.646 -7.355 4.112 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.920 -9.440 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.933 -8.889 5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.193 -10.357 6.106 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.781 -9.056 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.362 -7.547 6.989 1.00 0.00 H new ATOM 1012 N HIS A 64 -4.842 -11.347 3.873 1.00 0.00 N ATOM 1013 CA HIS A 64 -5.063 -12.348 2.830 1.00 0.00 C ATOM 1014 C HIS A 64 -4.078 -12.157 1.678 1.00 0.00 C ATOM 1015 O HIS A 64 -4.479 -11.887 0.546 1.00 0.00 O ATOM 1016 CB HIS A 64 -6.506 -12.252 2.309 1.00 0.00 C ATOM 1017 CG HIS A 64 -6.921 -13.565 1.696 1.00 0.00 C ATOM 1018 ND1 HIS A 64 -7.193 -14.683 2.468 1.00 0.00 N ATOM 1019 CD2 HIS A 64 -7.115 -13.954 0.392 1.00 0.00 C ATOM 1020 CE1 HIS A 64 -7.532 -15.682 1.634 1.00 0.00 C ATOM 1021 NE2 HIS A 64 -7.500 -15.292 0.355 1.00 0.00 N ATOM 0 H HIS A 64 -4.435 -11.720 4.731 1.00 0.00 H new ATOM 0 HA HIS A 64 -4.901 -13.336 3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -7.180 -11.993 3.126 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.582 -11.455 1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.988 -13.319 -0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.798 -16.678 1.957 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -7.712 -15.853 -0.470 1.00 0.00 H new ATOM 1029 N LEU A 65 -2.788 -12.302 1.979 1.00 0.00 N ATOM 1030 CA LEU A 65 -1.734 -12.144 0.970 1.00 0.00 C ATOM 1031 C LEU A 65 -0.940 -13.442 0.821 1.00 0.00 C ATOM 1032 O LEU A 65 0.127 -13.586 1.411 1.00 0.00 O ATOM 1033 CB LEU A 65 -0.784 -11.026 1.407 1.00 0.00 C ATOM 1034 CG LEU A 65 -1.584 -9.757 1.739 1.00 0.00 C ATOM 1035 CD1 LEU A 65 -0.628 -8.636 2.199 1.00 0.00 C ATOM 1036 CD2 LEU A 65 -2.376 -9.300 0.501 1.00 0.00 C ATOM 0 H LEU A 65 -2.445 -12.529 2.912 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.195 -11.897 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.212 -11.344 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.066 -10.816 0.614 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.283 -9.977 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.203 -7.740 2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.087 -8.961 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.082 -8.414 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.941 -8.400 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.685 -9.087 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.063 -10.089 0.197 1.00 0.00 H new ATOM 1048 N GLN A 66 -1.458 -14.384 0.033 1.00 0.00 N ATOM 1049 CA GLN A 66 -0.776 -15.668 -0.172 1.00 0.00 C ATOM 1050 C GLN A 66 0.743 -15.501 -0.215 1.00 0.00 C ATOM 1051 O GLN A 66 1.257 -14.440 -0.570 1.00 0.00 O ATOM 1052 CB GLN A 66 -1.265 -16.325 -1.465 1.00 0.00 C ATOM 1053 CG GLN A 66 -2.675 -16.878 -1.257 1.00 0.00 C ATOM 1054 CD GLN A 66 -3.191 -17.494 -2.551 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -2.903 -18.656 -2.845 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -3.945 -16.786 -3.348 1.00 0.00 N ATOM 0 H GLN A 66 -2.339 -14.287 -0.471 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.018 -16.309 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.265 -15.598 -2.277 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.588 -17.128 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.667 -17.628 -0.466 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.343 -16.080 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.183 -15.825 -3.104 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.296 -17.194 -4.214 1.00 0.00 H new ATOM 1065 N TRP A 67 1.451 -16.560 0.175 1.00 0.00 N ATOM 1066 CA TRP A 67 2.911 -16.540 0.213 1.00 0.00 C ATOM 1067 C TRP A 67 3.519 -16.845 -1.156 1.00 0.00 C ATOM 1068 O TRP A 67 4.731 -16.731 -1.332 1.00 0.00 O ATOM 1069 CB TRP A 67 3.414 -17.603 1.194 1.00 0.00 C ATOM 1070 CG TRP A 67 2.877 -17.356 2.566 1.00 0.00 C ATOM 1071 CD1 TRP A 67 1.786 -17.964 3.080 1.00 0.00 C ATOM 1072 CD2 TRP A 67 3.390 -16.479 3.613 1.00 0.00 C ATOM 1073 NE1 TRP A 67 1.592 -17.518 4.375 1.00 0.00 N ATOM 1074 CE2 TRP A 67 2.554 -16.601 4.749 1.00 0.00 C ATOM 1075 CE3 TRP A 67 4.485 -15.599 3.688 1.00 0.00 C ATOM 1076 CZ2 TRP A 67 2.799 -15.878 5.919 1.00 0.00 C ATOM 1077 CZ3 TRP A 67 4.731 -14.866 4.863 1.00 0.00 C ATOM 1078 CH2 TRP A 67 3.891 -15.008 5.976 1.00 0.00 C ATOM 0 H TRP A 67 1.035 -17.444 0.469 1.00 0.00 H new ATOM 0 HA TRP A 67 3.212 -15.539 0.523 1.00 0.00 H new ATOM 0 HB2 TRP A 67 3.110 -18.592 0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.504 -17.595 1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 67 1.166 -18.682 2.564 1.00 0.00 H new ATOM 0 HE1 TRP A 67 0.831 -17.829 4.980 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.141 -15.485 2.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.149 -15.991 6.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 5.572 -14.190 4.908 1.00 0.00 H new ATOM 0 HH2 TRP A 67 4.088 -14.446 6.877 1.00 0.00 H new ATOM 1089 N THR A 68 2.689 -17.272 -2.112 1.00 0.00 N ATOM 1090 CA THR A 68 3.185 -17.635 -3.447 1.00 0.00 C ATOM 1091 C THR A 68 2.679 -16.684 -4.525 1.00 0.00 C ATOM 1092 O THR A 68 2.791 -16.978 -5.714 1.00 0.00 O ATOM 1093 CB THR A 68 2.737 -19.057 -3.787 1.00 0.00 C ATOM 1094 OG1 THR A 68 1.378 -19.037 -4.200 1.00 0.00 O ATOM 1095 CG2 THR A 68 2.884 -19.948 -2.552 1.00 0.00 C ATOM 0 H THR A 68 1.681 -17.375 -1.991 1.00 0.00 H new ATOM 0 HA THR A 68 4.273 -17.568 -3.423 1.00 0.00 H new ATOM 0 HB THR A 68 3.356 -19.451 -4.593 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.090 -19.947 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.565 -20.962 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.927 -19.962 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 68 2.265 -19.556 -1.745 1.00 0.00 H new ATOM 1103 N MET A 69 2.120 -15.544 -4.121 1.00 0.00 N ATOM 1104 CA MET A 69 1.611 -14.578 -5.096 1.00 0.00 C ATOM 1105 C MET A 69 1.941 -13.150 -4.690 1.00 0.00 C ATOM 1106 O MET A 69 1.792 -12.766 -3.530 1.00 0.00 O ATOM 1107 CB MET A 69 0.091 -14.725 -5.243 1.00 0.00 C ATOM 1108 CG MET A 69 -0.247 -15.918 -6.148 1.00 0.00 C ATOM 1109 SD MET A 69 -2.004 -15.856 -6.582 1.00 0.00 S ATOM 1110 CE MET A 69 -1.951 -14.336 -7.575 1.00 0.00 C ATOM 0 H MET A 69 2.009 -15.269 -3.145 1.00 0.00 H new ATOM 0 HA MET A 69 2.096 -14.787 -6.049 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.364 -14.864 -4.262 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.330 -13.811 -5.663 1.00 0.00 H new ATOM 0 HG2 MET A 69 0.364 -15.890 -7.050 1.00 0.00 H new ATOM 0 HG3 MET A 69 -0.019 -16.854 -5.637 1.00 0.00 H new ATOM 0 HE1 MET A 69 -2.672 -14.408 -8.389 1.00 0.00 H new ATOM 0 HE2 MET A 69 -2.199 -13.481 -6.946 1.00 0.00 H new ATOM 0 HE3 MET A 69 -0.950 -14.205 -7.987 1.00 0.00 H new ATOM 1120 N GLY A 70 2.377 -12.371 -5.673 1.00 0.00 N ATOM 1121 CA GLY A 70 2.722 -10.977 -5.457 1.00 0.00 C ATOM 1122 C GLY A 70 1.594 -10.058 -5.900 1.00 0.00 C ATOM 1123 O GLY A 70 0.719 -10.453 -6.674 1.00 0.00 O ATOM 0 H GLY A 70 2.500 -12.688 -6.635 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.936 -10.812 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.630 -10.734 -6.008 1.00 0.00 H new ATOM 1127 N TYR A 71 1.629 -8.828 -5.408 1.00 0.00 N ATOM 1128 CA TYR A 71 0.620 -7.832 -5.749 1.00 0.00 C ATOM 1129 C TYR A 71 1.224 -6.439 -5.689 1.00 0.00 C ATOM 1130 O TYR A 71 1.995 -6.122 -4.783 1.00 0.00 O ATOM 1131 CB TYR A 71 -0.565 -7.928 -4.781 1.00 0.00 C ATOM 1132 CG TYR A 71 -0.034 -8.224 -3.411 1.00 0.00 C ATOM 1133 CD1 TYR A 71 0.148 -9.548 -3.028 1.00 0.00 C ATOM 1134 CD2 TYR A 71 0.292 -7.183 -2.537 1.00 0.00 C ATOM 1135 CE1 TYR A 71 0.658 -9.844 -1.771 1.00 0.00 C ATOM 1136 CE2 TYR A 71 0.801 -7.477 -1.268 1.00 0.00 C ATOM 1137 CZ TYR A 71 0.988 -8.811 -0.883 1.00 0.00 C ATOM 1138 OH TYR A 71 1.504 -9.108 0.362 1.00 0.00 O ATOM 0 H TYR A 71 2.349 -8.493 -4.768 1.00 0.00 H new ATOM 0 HA TYR A 71 0.266 -8.024 -6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.127 -6.994 -4.776 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.252 -8.712 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.107 -10.347 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.151 -6.156 -2.840 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.801 -10.873 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.049 -6.677 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 71 2.458 -9.314 0.280 1.00 0.00 H new ATOM 1148 N GLU A 72 0.857 -5.608 -6.651 1.00 0.00 N ATOM 1149 CA GLU A 72 1.357 -4.240 -6.700 1.00 0.00 C ATOM 1150 C GLU A 72 0.442 -3.350 -5.860 1.00 0.00 C ATOM 1151 O GLU A 72 -0.752 -3.612 -5.766 1.00 0.00 O ATOM 1152 CB GLU A 72 1.385 -3.740 -8.160 1.00 0.00 C ATOM 1153 CG GLU A 72 1.498 -4.930 -9.117 1.00 0.00 C ATOM 1154 CD GLU A 72 1.795 -4.435 -10.529 1.00 0.00 C ATOM 1155 OE1 GLU A 72 1.126 -3.513 -10.964 1.00 0.00 O ATOM 1156 OE2 GLU A 72 2.687 -4.985 -11.154 1.00 0.00 O ATOM 0 H GLU A 72 0.217 -5.854 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 72 2.371 -4.205 -6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.480 -3.173 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.227 -3.064 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.289 -5.602 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.570 -5.502 -9.111 1.00 0.00 H new ATOM 1163 N VAL A 73 0.999 -2.301 -5.260 1.00 0.00 N ATOM 1164 CA VAL A 73 0.209 -1.376 -4.439 1.00 0.00 C ATOM 1165 C VAL A 73 0.410 0.042 -4.950 1.00 0.00 C ATOM 1166 O VAL A 73 1.536 0.465 -5.195 1.00 0.00 O ATOM 1167 CB VAL A 73 0.654 -1.448 -2.976 1.00 0.00 C ATOM 1168 CG1 VAL A 73 -0.324 -0.660 -2.097 1.00 0.00 C ATOM 1169 CG2 VAL A 73 0.696 -2.909 -2.520 1.00 0.00 C ATOM 0 H VAL A 73 1.990 -2.067 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.843 -1.655 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 73 1.649 -1.014 -2.883 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.003 -0.714 -1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.343 0.382 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.323 -1.086 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.013 -2.956 -1.478 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.296 -3.349 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.401 -3.463 -3.139 1.00 0.00 H new ATOM 1179 N GLN A 74 -0.687 0.771 -5.118 1.00 0.00 N ATOM 1180 CA GLN A 74 -0.626 2.146 -5.613 1.00 0.00 C ATOM 1181 C GLN A 74 -1.290 3.104 -4.634 1.00 0.00 C ATOM 1182 O GLN A 74 -2.504 3.070 -4.433 1.00 0.00 O ATOM 1183 CB GLN A 74 -1.317 2.216 -6.973 1.00 0.00 C ATOM 1184 CG GLN A 74 -1.323 3.658 -7.483 1.00 0.00 C ATOM 1185 CD GLN A 74 -1.833 3.699 -8.919 1.00 0.00 C ATOM 1186 OE1 GLN A 74 -1.866 2.671 -9.597 1.00 0.00 O ATOM 1187 NE2 GLN A 74 -2.232 4.830 -9.429 1.00 0.00 N ATOM 0 H GLN A 74 -1.630 0.436 -4.920 1.00 0.00 H new ATOM 0 HA GLN A 74 0.418 2.443 -5.715 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.802 1.572 -7.685 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.339 1.847 -6.890 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.956 4.276 -6.846 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.317 4.075 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.204 5.681 -8.867 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.572 4.864 -10.390 1.00 0.00 H new ATOM 1196 N ILE A 75 -0.471 3.958 -4.031 1.00 0.00 N ATOM 1197 CA ILE A 75 -0.948 4.946 -3.066 1.00 0.00 C ATOM 1198 C ILE A 75 -1.178 6.284 -3.756 1.00 0.00 C ATOM 1199 O ILE A 75 -0.341 6.744 -4.526 1.00 0.00 O ATOM 1200 CB ILE A 75 0.102 5.092 -1.932 1.00 0.00 C ATOM 1201 CG1 ILE A 75 -0.180 4.079 -0.826 1.00 0.00 C ATOM 1202 CG2 ILE A 75 0.086 6.497 -1.311 1.00 0.00 C ATOM 1203 CD1 ILE A 75 -0.137 2.662 -1.394 1.00 0.00 C ATOM 0 H ILE A 75 0.535 3.987 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.896 4.616 -2.640 1.00 0.00 H new ATOM 0 HB ILE A 75 1.080 4.916 -2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.557 4.183 -0.029 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.157 4.273 -0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.836 6.555 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.310 7.237 -2.079 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.899 6.698 -0.890 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.339 1.945 -0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.891 2.560 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.850 2.468 -1.815 1.00 0.00 H new ATOM 1215 N THR A 76 -2.295 6.924 -3.443 1.00 0.00 N ATOM 1216 CA THR A 76 -2.591 8.237 -4.003 1.00 0.00 C ATOM 1217 C THR A 76 -3.176 9.116 -2.909 1.00 0.00 C ATOM 1218 O THR A 76 -4.242 8.830 -2.367 1.00 0.00 O ATOM 1219 CB THR A 76 -3.556 8.128 -5.188 1.00 0.00 C ATOM 1220 OG1 THR A 76 -3.213 6.996 -5.973 1.00 0.00 O ATOM 1221 CG2 THR A 76 -3.450 9.391 -6.049 1.00 0.00 C ATOM 0 H THR A 76 -3.007 6.560 -2.810 1.00 0.00 H new ATOM 0 HA THR A 76 -1.670 8.684 -4.378 1.00 0.00 H new ATOM 0 HB THR A 76 -4.576 8.022 -4.818 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.830 6.924 -6.731 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.136 9.315 -6.893 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.708 10.263 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.430 9.495 -6.419 1.00 0.00 H new ATOM 1229 N ALA A 77 -2.453 10.174 -2.580 1.00 0.00 N ATOM 1230 CA ALA A 77 -2.876 11.093 -1.533 1.00 0.00 C ATOM 1231 C ALA A 77 -3.793 12.159 -2.135 1.00 0.00 C ATOM 1232 O ALA A 77 -3.431 12.806 -3.114 1.00 0.00 O ATOM 1233 CB ALA A 77 -1.616 11.721 -0.910 1.00 0.00 C ATOM 0 H ALA A 77 -1.568 10.419 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.435 10.573 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.907 12.415 -0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.988 10.936 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.059 12.258 -1.678 1.00 0.00 H new ATOM 1239 N ALA A 78 -4.996 12.319 -1.575 1.00 0.00 N ATOM 1240 CA ALA A 78 -5.959 13.289 -2.111 1.00 0.00 C ATOM 1241 C ALA A 78 -6.061 14.547 -1.255 1.00 0.00 C ATOM 1242 O ALA A 78 -6.586 14.520 -0.144 1.00 0.00 O ATOM 1243 CB ALA A 78 -7.340 12.638 -2.210 1.00 0.00 C ATOM 0 H ALA A 78 -5.324 11.798 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.600 13.588 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -8.054 13.359 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.288 11.774 -2.873 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.663 12.316 -1.220 1.00 0.00 H new ATOM 1249 N ASN A 79 -5.590 15.664 -1.813 1.00 0.00 N ATOM 1250 CA ASN A 79 -5.651 16.957 -1.135 1.00 0.00 C ATOM 1251 C ASN A 79 -6.637 17.854 -1.873 1.00 0.00 C ATOM 1252 O ASN A 79 -7.422 17.382 -2.696 1.00 0.00 O ATOM 1253 CB ASN A 79 -4.259 17.610 -1.115 1.00 0.00 C ATOM 1254 CG ASN A 79 -3.540 17.349 -2.434 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -4.140 16.833 -3.377 1.00 0.00 O ATOM 1256 ND2 ASN A 79 -2.282 17.675 -2.557 1.00 0.00 N ATOM 0 H ASN A 79 -5.160 15.697 -2.737 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.981 16.816 -0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.354 18.683 -0.950 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.673 17.211 -0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.794 17.502 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.787 18.102 -1.774 1.00 0.00 H new ATOM 1263 N ARG A 80 -6.587 19.142 -1.587 1.00 0.00 N ATOM 1264 CA ARG A 80 -7.478 20.085 -2.246 1.00 0.00 C ATOM 1265 C ARG A 80 -7.339 19.946 -3.760 1.00 0.00 C ATOM 1266 O ARG A 80 -8.296 20.152 -4.504 1.00 0.00 O ATOM 1267 CB ARG A 80 -7.129 21.514 -1.827 1.00 0.00 C ATOM 1268 CG ARG A 80 -7.512 21.729 -0.361 1.00 0.00 C ATOM 1269 CD ARG A 80 -7.115 23.144 0.064 1.00 0.00 C ATOM 1270 NE ARG A 80 -7.470 23.371 1.460 1.00 0.00 N ATOM 1271 CZ ARG A 80 -7.467 24.597 1.977 1.00 0.00 C ATOM 1272 NH1 ARG A 80 -7.151 25.619 1.231 1.00 0.00 N ATOM 1273 NH2 ARG A 80 -7.781 24.775 3.232 1.00 0.00 N ATOM 0 H ARG A 80 -5.947 19.558 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 80 -8.506 19.870 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.063 21.694 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -7.657 22.228 -2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -8.584 21.585 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.011 20.994 0.269 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -6.043 23.285 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -7.616 23.876 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 80 -7.724 22.578 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -6.906 25.479 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -7.149 26.559 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.028 23.975 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.779 25.714 3.630 1.00 0.00 H new ATOM 1287 N LEU A 81 -6.139 19.578 -4.205 1.00 0.00 N ATOM 1288 CA LEU A 81 -5.883 19.392 -5.631 1.00 0.00 C ATOM 1289 C LEU A 81 -6.713 18.226 -6.154 1.00 0.00 C ATOM 1290 O LEU A 81 -7.283 18.287 -7.245 1.00 0.00 O ATOM 1291 CB LEU A 81 -4.395 19.104 -5.883 1.00 0.00 C ATOM 1292 CG LEU A 81 -3.543 20.374 -5.706 1.00 0.00 C ATOM 1293 CD1 LEU A 81 -3.897 21.421 -6.780 1.00 0.00 C ATOM 1294 CD2 LEU A 81 -3.765 20.964 -4.310 1.00 0.00 C ATOM 0 H LEU A 81 -5.334 19.404 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.159 20.309 -6.152 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.050 18.333 -5.194 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.264 18.713 -6.892 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.493 20.103 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.284 22.311 -6.637 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.708 21.005 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.950 21.689 -6.694 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.158 21.862 -4.194 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.818 21.219 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.477 20.232 -3.556 1.00 0.00 H new ATOM 1306 N GLY A 82 -6.768 17.161 -5.358 1.00 0.00 N ATOM 1307 CA GLY A 82 -7.516 15.955 -5.715 1.00 0.00 C ATOM 1308 C GLY A 82 -6.633 14.724 -5.581 1.00 0.00 C ATOM 1309 O GLY A 82 -7.026 13.728 -4.976 1.00 0.00 O ATOM 0 H GLY A 82 -6.300 17.108 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.389 15.856 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.884 16.037 -6.738 1.00 0.00 H new ATOM 1313 N TYR A 83 -5.432 14.807 -6.144 1.00 0.00 N ATOM 1314 CA TYR A 83 -4.479 13.705 -6.075 1.00 0.00 C ATOM 1315 C TYR A 83 -3.057 14.247 -6.189 1.00 0.00 C ATOM 1316 O TYR A 83 -2.789 15.131 -7.001 1.00 0.00 O ATOM 1317 CB TYR A 83 -4.748 12.706 -7.199 1.00 0.00 C ATOM 1318 CG TYR A 83 -6.235 12.486 -7.336 1.00 0.00 C ATOM 1319 CD1 TYR A 83 -6.988 13.326 -8.163 1.00 0.00 C ATOM 1320 CD2 TYR A 83 -6.859 11.446 -6.637 1.00 0.00 C ATOM 1321 CE1 TYR A 83 -8.367 13.126 -8.293 1.00 0.00 C ATOM 1322 CE2 TYR A 83 -8.238 11.245 -6.768 1.00 0.00 C ATOM 1323 CZ TYR A 83 -8.993 12.085 -7.595 1.00 0.00 C ATOM 1324 OH TYR A 83 -10.352 11.887 -7.726 1.00 0.00 O ATOM 0 H TYR A 83 -5.096 15.625 -6.652 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.593 13.196 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.338 13.080 -8.137 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -4.248 11.761 -6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -6.505 14.129 -8.701 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -6.277 10.799 -5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.949 13.774 -8.932 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -8.720 10.441 -6.231 1.00 0.00 H new ATOM 0 HH TYR A 83 -10.626 11.123 -7.176 1.00 0.00 H new ATOM 1334 N SER A 84 -2.148 13.722 -5.373 1.00 0.00 N ATOM 1335 CA SER A 84 -0.767 14.184 -5.409 1.00 0.00 C ATOM 1336 C SER A 84 0.159 13.177 -4.753 1.00 0.00 C ATOM 1337 O SER A 84 -0.285 12.227 -4.108 1.00 0.00 O ATOM 1338 CB SER A 84 -0.643 15.537 -4.694 1.00 0.00 C ATOM 1339 OG SER A 84 0.438 16.267 -5.262 1.00 0.00 O ATOM 0 H SER A 84 -2.339 12.989 -4.690 1.00 0.00 H new ATOM 0 HA SER A 84 -0.476 14.297 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.571 16.101 -4.793 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.475 15.385 -3.628 1.00 0.00 H new ATOM 0 HG SER A 84 1.226 16.186 -4.686 1.00 0.00 H new ATOM 1345 N GLU A 85 1.452 13.418 -4.913 1.00 0.00 N ATOM 1346 CA GLU A 85 2.478 12.569 -4.331 1.00 0.00 C ATOM 1347 C GLU A 85 2.065 11.096 -4.302 1.00 0.00 C ATOM 1348 O GLU A 85 2.045 10.464 -3.246 1.00 0.00 O ATOM 1349 CB GLU A 85 2.797 13.070 -2.920 1.00 0.00 C ATOM 1350 CG GLU A 85 1.528 13.115 -2.063 1.00 0.00 C ATOM 1351 CD GLU A 85 1.900 13.322 -0.599 1.00 0.00 C ATOM 1352 OE1 GLU A 85 2.784 14.122 -0.342 1.00 0.00 O ATOM 1353 OE2 GLU A 85 1.298 12.676 0.243 1.00 0.00 O ATOM 0 H GLU A 85 1.817 14.205 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 85 3.368 12.628 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.534 12.416 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.242 14.064 -2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.879 13.923 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.968 12.187 -2.178 1.00 0.00 H new ATOM 1360 N PRO A 86 1.758 10.534 -5.443 1.00 0.00 N ATOM 1361 CA PRO A 86 1.356 9.103 -5.545 1.00 0.00 C ATOM 1362 C PRO A 86 2.552 8.183 -5.309 1.00 0.00 C ATOM 1363 O PRO A 86 3.692 8.558 -5.581 1.00 0.00 O ATOM 1364 CB PRO A 86 0.822 8.988 -6.976 1.00 0.00 C ATOM 1365 CG PRO A 86 1.583 10.021 -7.737 1.00 0.00 C ATOM 1366 CD PRO A 86 1.773 11.189 -6.765 1.00 0.00 C ATOM 0 HA PRO A 86 0.618 8.806 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.988 7.991 -7.384 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.251 9.174 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 2.543 9.631 -8.075 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.036 10.335 -8.626 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.712 11.713 -6.944 1.00 0.00 H new ATOM 0 HD3 PRO A 86 0.974 11.925 -6.859 1.00 0.00 H new ATOM 1374 N THR A 87 2.290 6.979 -4.801 1.00 0.00 N ATOM 1375 CA THR A 87 3.354 6.015 -4.530 1.00 0.00 C ATOM 1376 C THR A 87 3.045 4.683 -5.189 1.00 0.00 C ATOM 1377 O THR A 87 2.150 3.957 -4.759 1.00 0.00 O ATOM 1378 CB THR A 87 3.511 5.805 -3.002 1.00 0.00 C ATOM 1379 OG1 THR A 87 2.624 6.663 -2.314 1.00 0.00 O ATOM 1380 CG2 THR A 87 4.926 6.109 -2.546 1.00 0.00 C ATOM 0 H THR A 87 1.353 6.649 -4.570 1.00 0.00 H new ATOM 0 HA THR A 87 4.284 6.410 -4.940 1.00 0.00 H new ATOM 0 HB THR A 87 3.286 4.761 -2.783 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.127 7.406 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.003 5.952 -1.470 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.624 5.448 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.169 7.146 -2.780 1.00 0.00 H new ATOM 1388 N VAL A 88 3.819 4.353 -6.207 1.00 0.00 N ATOM 1389 CA VAL A 88 3.652 3.080 -6.889 1.00 0.00 C ATOM 1390 C VAL A 88 4.627 2.079 -6.284 1.00 0.00 C ATOM 1391 O VAL A 88 5.798 2.024 -6.662 1.00 0.00 O ATOM 1392 CB VAL A 88 3.910 3.243 -8.395 1.00 0.00 C ATOM 1393 CG1 VAL A 88 2.653 3.786 -9.081 1.00 0.00 C ATOM 1394 CG2 VAL A 88 5.065 4.225 -8.612 1.00 0.00 C ATOM 0 H VAL A 88 4.564 4.942 -6.578 1.00 0.00 H new ATOM 0 HA VAL A 88 2.630 2.721 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 88 4.166 2.273 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.841 3.900 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.827 3.091 -8.930 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.395 4.755 -8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.248 4.341 -9.680 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.806 5.192 -8.181 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.964 3.842 -8.129 1.00 0.00 H new ATOM 1404 N TYR A 89 4.138 1.303 -5.320 1.00 0.00 N ATOM 1405 CA TYR A 89 4.968 0.313 -4.630 1.00 0.00 C ATOM 1406 C TYR A 89 4.678 -1.089 -5.154 1.00 0.00 C ATOM 1407 O TYR A 89 3.527 -1.439 -5.395 1.00 0.00 O ATOM 1408 CB TYR A 89 4.688 0.386 -3.127 1.00 0.00 C ATOM 1409 CG TYR A 89 5.531 -0.620 -2.362 1.00 0.00 C ATOM 1410 CD1 TYR A 89 6.931 -0.612 -2.475 1.00 0.00 C ATOM 1411 CD2 TYR A 89 4.909 -1.553 -1.517 1.00 0.00 C ATOM 1412 CE1 TYR A 89 7.697 -1.531 -1.753 1.00 0.00 C ATOM 1413 CE2 TYR A 89 5.679 -2.471 -0.796 1.00 0.00 C ATOM 1414 CZ TYR A 89 7.074 -2.459 -0.913 1.00 0.00 C ATOM 1415 OH TYR A 89 7.833 -3.364 -0.201 1.00 0.00 O ATOM 0 H TYR A 89 3.171 1.339 -4.997 1.00 0.00 H new ATOM 0 HA TYR A 89 6.019 0.532 -4.817 1.00 0.00 H new ATOM 0 HB2 TYR A 89 4.898 1.392 -2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 89 3.631 0.195 -2.942 1.00 0.00 H new ATOM 0 HD1 TYR A 89 7.416 0.105 -3.121 1.00 0.00 H new ATOM 0 HD2 TYR A 89 3.833 -1.562 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.773 -1.524 -1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 89 5.198 -3.189 -0.149 1.00 0.00 H new ATOM 0 HH TYR A 89 7.540 -4.275 -0.413 1.00 0.00 H new ATOM 1425 N GLU A 90 5.727 -1.888 -5.341 1.00 0.00 N ATOM 1426 CA GLU A 90 5.566 -3.253 -5.850 1.00 0.00 C ATOM 1427 C GLU A 90 6.498 -4.213 -5.116 1.00 0.00 C ATOM 1428 O GLU A 90 7.669 -3.907 -4.895 1.00 0.00 O ATOM 1429 CB GLU A 90 5.870 -3.286 -7.349 1.00 0.00 C ATOM 1430 CG GLU A 90 7.156 -2.505 -7.629 1.00 0.00 C ATOM 1431 CD GLU A 90 7.590 -2.720 -9.074 1.00 0.00 C ATOM 1432 OE1 GLU A 90 6.850 -2.324 -9.960 1.00 0.00 O ATOM 1433 OE2 GLU A 90 8.655 -3.280 -9.275 1.00 0.00 O ATOM 0 H GLU A 90 6.692 -1.618 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 90 4.536 -3.567 -5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.978 -4.317 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 90 5.041 -2.853 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.995 -1.443 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.945 -2.831 -6.951 1.00 0.00 H new ATOM 1440 N PHE A 91 5.971 -5.376 -4.741 1.00 0.00 N ATOM 1441 CA PHE A 91 6.779 -6.368 -4.034 1.00 0.00 C ATOM 1442 C PHE A 91 6.035 -7.692 -3.891 1.00 0.00 C ATOM 1443 O PHE A 91 4.894 -7.727 -3.430 1.00 0.00 O ATOM 1444 CB PHE A 91 7.164 -5.833 -2.646 1.00 0.00 C ATOM 1445 CG PHE A 91 5.981 -5.941 -1.703 1.00 0.00 C ATOM 1446 CD1 PHE A 91 4.880 -5.092 -1.861 1.00 0.00 C ATOM 1447 CD2 PHE A 91 5.987 -6.893 -0.676 1.00 0.00 C ATOM 1448 CE1 PHE A 91 3.786 -5.195 -0.992 1.00 0.00 C ATOM 1449 CE2 PHE A 91 4.895 -6.996 0.192 1.00 0.00 C ATOM 1450 CZ PHE A 91 3.794 -6.148 0.034 1.00 0.00 C ATOM 0 H PHE A 91 5.004 -5.653 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 91 7.680 -6.549 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 91 8.008 -6.398 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 91 7.484 -4.794 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 91 4.874 -4.357 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 91 6.836 -7.549 -0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.936 -4.539 -1.113 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.902 -7.730 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 91 2.950 -6.228 0.703 1.00 0.00 H new ATOM 1460 N SER A 92 6.698 -8.780 -4.270 1.00 0.00 N ATOM 1461 CA SER A 92 6.101 -10.102 -4.161 1.00 0.00 C ATOM 1462 C SER A 92 6.237 -10.633 -2.737 1.00 0.00 C ATOM 1463 O SER A 92 7.040 -10.130 -1.952 1.00 0.00 O ATOM 1464 CB SER A 92 6.760 -11.063 -5.146 1.00 0.00 C ATOM 1465 OG SER A 92 8.173 -10.945 -5.048 1.00 0.00 O ATOM 0 H SER A 92 7.643 -8.771 -4.653 1.00 0.00 H new ATOM 0 HA SER A 92 5.041 -10.023 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.454 -12.087 -4.932 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.435 -10.839 -6.162 1.00 0.00 H new ATOM 0 HG SER A 92 8.597 -11.563 -5.679 1.00 0.00 H new ATOM 1471 N MET A 93 5.441 -11.649 -2.404 1.00 0.00 N ATOM 1472 CA MET A 93 5.477 -12.233 -1.064 1.00 0.00 C ATOM 1473 C MET A 93 6.516 -13.362 -0.983 1.00 0.00 C ATOM 1474 O MET A 93 6.739 -14.072 -1.964 1.00 0.00 O ATOM 1475 CB MET A 93 4.103 -12.817 -0.710 1.00 0.00 C ATOM 1476 CG MET A 93 3.127 -11.699 -0.349 1.00 0.00 C ATOM 1477 SD MET A 93 3.651 -10.871 1.179 1.00 0.00 S ATOM 1478 CE MET A 93 2.934 -12.043 2.356 1.00 0.00 C ATOM 0 H MET A 93 4.769 -12.081 -3.038 1.00 0.00 H new ATOM 0 HA MET A 93 5.747 -11.442 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.715 -13.389 -1.553 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.199 -13.509 0.127 1.00 0.00 H new ATOM 0 HG2 MET A 93 3.075 -10.976 -1.163 1.00 0.00 H new ATOM 0 HG3 MET A 93 2.125 -12.109 -0.223 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.221 -11.762 3.369 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.848 -12.028 2.269 1.00 0.00 H new ATOM 0 HE3 MET A 93 3.301 -13.046 2.140 1.00 0.00 H new ATOM 1488 N PRO A 94 7.118 -13.567 0.167 1.00 0.00 N ATOM 1489 CA PRO A 94 8.109 -14.666 0.367 1.00 0.00 C ATOM 1490 C PRO A 94 7.391 -16.005 0.533 1.00 0.00 C ATOM 1491 O PRO A 94 6.198 -16.034 0.821 1.00 0.00 O ATOM 1492 CB PRO A 94 8.817 -14.263 1.666 1.00 0.00 C ATOM 1493 CG PRO A 94 7.776 -13.524 2.441 1.00 0.00 C ATOM 1494 CD PRO A 94 6.936 -12.778 1.404 1.00 0.00 C ATOM 0 HA PRO A 94 8.794 -14.791 -0.471 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.174 -15.136 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.685 -13.635 1.467 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.160 -14.211 3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.233 -12.830 3.147 1.00 0.00 H new ATOM 0 HD2 PRO A 94 5.887 -12.731 1.698 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.278 -11.751 1.277 1.00 0.00 H new ATOM 1502 N PRO A 95 8.081 -17.100 0.380 1.00 0.00 N ATOM 1503 CA PRO A 95 7.470 -18.453 0.547 1.00 0.00 C ATOM 1504 C PRO A 95 7.045 -18.686 1.997 1.00 0.00 C ATOM 1505 O PRO A 95 7.589 -18.068 2.911 1.00 0.00 O ATOM 1506 CB PRO A 95 8.593 -19.412 0.118 1.00 0.00 C ATOM 1507 CG PRO A 95 9.854 -18.640 0.343 1.00 0.00 C ATOM 1508 CD PRO A 95 9.510 -17.185 0.028 1.00 0.00 C ATOM 0 HA PRO A 95 6.562 -18.590 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 95 8.579 -20.329 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 95 8.488 -19.704 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.200 -18.747 1.371 1.00 0.00 H new ATOM 0 HG3 PRO A 95 10.655 -19.001 -0.302 1.00 0.00 H new ATOM 0 HD2 PRO A 95 10.112 -16.491 0.615 1.00 0.00 H new ATOM 0 HD3 PRO A 95 9.682 -16.947 -1.022 1.00 0.00 H new ATOM 1516 N LYS A 96 6.063 -19.567 2.197 1.00 0.00 N ATOM 1517 CA LYS A 96 5.562 -19.859 3.545 1.00 0.00 C ATOM 1518 C LYS A 96 6.721 -19.872 4.558 1.00 0.00 C ATOM 1519 O LYS A 96 7.744 -20.511 4.309 1.00 0.00 O ATOM 1520 CB LYS A 96 4.854 -21.226 3.548 1.00 0.00 C ATOM 1521 CG LYS A 96 4.257 -21.545 4.940 1.00 0.00 C ATOM 1522 CD LYS A 96 2.871 -20.885 5.098 1.00 0.00 C ATOM 1523 CE LYS A 96 1.780 -21.796 4.519 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.808 -23.113 5.216 1.00 0.00 N ATOM 0 H LYS A 96 5.601 -20.088 1.451 1.00 0.00 H new ATOM 0 HA LYS A 96 4.855 -19.081 3.833 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.061 -21.229 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.562 -22.005 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.169 -22.624 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.928 -21.187 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.671 -20.691 6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.859 -19.922 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.802 -21.330 4.639 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.938 -21.935 3.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.845 -23.368 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.173 -23.841 4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.426 -23.051 6.050 1.00 0.00 H new ATOM 1538 N PRO A 97 6.600 -19.193 5.683 1.00 0.00 N ATOM 1539 CA PRO A 97 7.695 -19.167 6.699 1.00 0.00 C ATOM 1540 C PRO A 97 7.913 -20.529 7.356 1.00 0.00 C ATOM 1541 O PRO A 97 6.960 -21.246 7.660 1.00 0.00 O ATOM 1542 CB PRO A 97 7.226 -18.119 7.722 1.00 0.00 C ATOM 1543 CG PRO A 97 5.740 -18.071 7.584 1.00 0.00 C ATOM 1544 CD PRO A 97 5.438 -18.384 6.118 1.00 0.00 C ATOM 0 HA PRO A 97 8.659 -18.922 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.518 -18.399 8.734 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.671 -17.145 7.520 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.264 -18.797 8.243 1.00 0.00 H new ATOM 0 HG3 PRO A 97 5.355 -17.089 7.860 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.504 -18.936 6.011 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.340 -17.474 5.526 1.00 0.00 H new ATOM 1552 N ASN A 98 9.181 -20.863 7.594 1.00 0.00 N ATOM 1553 CA ASN A 98 9.539 -22.123 8.244 1.00 0.00 C ATOM 1554 C ASN A 98 9.911 -21.850 9.695 1.00 0.00 C ATOM 1555 O ASN A 98 10.015 -22.765 10.511 1.00 0.00 O ATOM 1556 CB ASN A 98 10.718 -22.773 7.518 1.00 0.00 C ATOM 1557 CG ASN A 98 10.302 -23.170 6.105 1.00 0.00 C ATOM 1558 OD1 ASN A 98 9.493 -22.484 5.481 1.00 0.00 O ATOM 1559 ND2 ASN A 98 10.806 -24.244 5.562 1.00 0.00 N ATOM 0 H ASN A 98 9.978 -20.277 7.346 1.00 0.00 H new ATOM 0 HA ASN A 98 8.688 -22.803 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 98 11.558 -22.080 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.055 -23.652 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 98 10.530 -24.516 4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.476 -24.811 6.081 1.00 0.00 H new ATOM 1566 N ILE A 99 10.097 -20.567 10.003 1.00 0.00 N ATOM 1567 CA ILE A 99 10.442 -20.129 11.355 1.00 0.00 C ATOM 1568 C ILE A 99 9.225 -19.495 12.015 1.00 0.00 C ATOM 1569 O ILE A 99 9.237 -19.192 13.207 1.00 0.00 O ATOM 1570 CB ILE A 99 11.593 -19.119 11.289 1.00 0.00 C ATOM 1571 CG1 ILE A 99 11.191 -17.929 10.409 1.00 0.00 C ATOM 1572 CG2 ILE A 99 12.828 -19.793 10.689 1.00 0.00 C ATOM 1573 CD1 ILE A 99 12.297 -16.873 10.439 1.00 0.00 C ATOM 0 H ILE A 99 10.014 -19.807 9.328 1.00 0.00 H new ATOM 0 HA ILE A 99 10.757 -20.989 11.947 1.00 0.00 H new ATOM 0 HB ILE A 99 11.817 -18.766 12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 99 11.020 -18.262 9.385 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.255 -17.500 10.765 1.00 0.00 H new ATOM 0 HG21 ILE A 99 13.647 -19.075 10.642 1.00 0.00 H new ATOM 0 HG22 ILE A 99 13.121 -20.637 11.313 1.00 0.00 H new ATOM 0 HG23 ILE A 99 12.597 -20.147 9.684 1.00 0.00 H new ATOM 0 HD11 ILE A 99 12.010 -16.028 9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 99 12.447 -16.532 11.463 1.00 0.00 H new ATOM 0 HD13 ILE A 99 13.224 -17.306 10.062 1.00 0.00 H new ATOM 1585 N ILE A 100 8.174 -19.312 11.213 1.00 0.00 N ATOM 1586 CA ILE A 100 6.915 -18.720 11.673 1.00 0.00 C ATOM 1587 C ILE A 100 7.138 -17.565 12.644 1.00 0.00 C ATOM 1588 O ILE A 100 6.221 -17.148 13.350 1.00 0.00 O ATOM 1589 CB ILE A 100 6.026 -19.774 12.325 1.00 0.00 C ATOM 1590 CG1 ILE A 100 6.752 -20.449 13.498 1.00 0.00 C ATOM 1591 CG2 ILE A 100 5.647 -20.827 11.278 1.00 0.00 C ATOM 1592 CD1 ILE A 100 5.757 -21.298 14.292 1.00 0.00 C ATOM 0 H ILE A 100 8.171 -19.570 10.226 1.00 0.00 H new ATOM 0 HA ILE A 100 6.417 -18.322 10.789 1.00 0.00 H new ATOM 0 HB ILE A 100 5.128 -19.290 12.710 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.564 -21.074 13.126 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.200 -19.695 14.145 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.011 -21.584 11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.109 -20.349 10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.551 -21.298 10.892 1.00 0.00 H new ATOM 0 HD11 ILE A 100 6.271 -21.778 15.125 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.960 -20.661 14.676 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.330 -22.061 13.642 1.00 0.00 H new ATOM 1604 N LYS A 101 8.354 -17.053 12.665 1.00 0.00 N ATOM 1605 CA LYS A 101 8.701 -15.936 13.541 1.00 0.00 C ATOM 1606 C LYS A 101 8.386 -14.612 12.856 1.00 0.00 C ATOM 1607 O LYS A 101 7.429 -13.925 13.213 1.00 0.00 O ATOM 1608 CB LYS A 101 10.184 -15.989 13.896 1.00 0.00 C ATOM 1609 CG LYS A 101 10.494 -14.905 14.927 1.00 0.00 C ATOM 1610 CD LYS A 101 11.952 -15.022 15.360 1.00 0.00 C ATOM 1611 CE LYS A 101 12.265 -13.949 16.404 1.00 0.00 C ATOM 1612 NZ LYS A 101 13.682 -14.082 16.846 1.00 0.00 N ATOM 0 H LYS A 101 9.124 -17.390 12.086 1.00 0.00 H new ATOM 0 HA LYS A 101 8.111 -16.014 14.454 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.440 -16.971 14.295 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.790 -15.841 13.002 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.307 -13.919 14.502 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.837 -15.010 15.790 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.140 -16.013 15.774 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.608 -14.907 14.497 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.096 -12.958 15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.596 -14.052 17.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 13.894 -13.352 17.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.829 -15.023 17.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.313 -13.963 16.028 1.00 0.00 H new ATOM 1626 N ASP A 102 9.202 -14.261 11.867 1.00 0.00 N ATOM 1627 CA ASP A 102 9.011 -13.019 11.124 1.00 0.00 C ATOM 1628 C ASP A 102 7.969 -13.206 10.027 1.00 0.00 C ATOM 1629 O ASP A 102 8.289 -12.938 8.882 1.00 0.00 O ATOM 1630 CB ASP A 102 10.338 -12.579 10.501 1.00 0.00 C ATOM 1631 CG ASP A 102 10.171 -11.232 9.807 1.00 0.00 C ATOM 1632 OD1 ASP A 102 9.894 -10.264 10.496 1.00 0.00 O ATOM 1633 OD2 ASP A 102 10.324 -11.190 8.597 1.00 0.00 O ATOM 0 H ASP A 102 10.000 -14.817 11.562 1.00 0.00 H new ATOM 0 HA ASP A 102 8.660 -12.252 11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.104 -12.506 11.273 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.677 -13.326 9.784 1.00 0.00 H new TER 1638 ASP A 102