USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 46 SER OG : rot -30:sc= 0.506 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -2.74 K(o=-2.2,f=-2.8) USER MOD Set 2.1: A 30 THR OG1 : rot 69:sc= 0.718 USER MOD Set 2.2: A 109 GLN : amide:sc= -1.98 K(o=-1.3,f=-5.4!) USER MOD Set 3.1: A 10 HIS : no HD1:sc= 0.111 K(o=-0.24,f=-0.83) USER MOD Set 3.2: A 13 MET CE :methyl -178:sc= -0.353 (180deg=-0.369) USER MOD Single : A 9 TYR OH : rot -16:sc= -0.861 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.24) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 120:sc= -0.964 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= -1.46! (180deg=-3.65!) USER MOD Single : A 58 SER OG : rot -80:sc= -0.589 USER MOD Single : A 63 THR OG1 : rot -135:sc= 1.19 USER MOD Single : A 66 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000159) USER MOD Single : A 68 MET CE :methyl -137:sc= -1.71! (180deg=-2.85!) USER MOD Single : A 69 CYS SG : rot 29:sc= 0.532 USER MOD Single : A 74 TYR OH : rot -43:sc= 1.42 USER MOD Single : A 75 THR OG1 : rot 142:sc= 1.24 USER MOD Single : A 81 THR OG1 : rot -160:sc= -1.85 USER MOD Single : A 84 SER OG : rot 64:sc= 1.26 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -0.374 F(o=-0.92,f=-0.37) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -89:sc= 0.82 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 70:sc=-0.00585 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.133 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN :FLIP amide:sc= -1.49! C(o=-3.2!,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.517 -5.387 -12.424 1.00 0.00 N ATOM 60 CA GLY A 7 4.246 -5.020 -11.827 1.00 0.00 C ATOM 61 C GLY A 7 4.406 -4.045 -10.677 1.00 0.00 C ATOM 62 O GLY A 7 5.196 -3.104 -10.759 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.605 -4.577 -12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.743 -5.919 -11.470 1.00 0.00 H new ATOM 66 N TRP A 8 3.653 -4.268 -9.606 1.00 0.00 N ATOM 67 CA TRP A 8 3.715 -3.399 -8.436 1.00 0.00 C ATOM 68 C TRP A 8 4.253 -4.154 -7.226 1.00 0.00 C ATOM 69 O TRP A 8 3.941 -3.817 -6.083 1.00 0.00 O ATOM 70 CB TRP A 8 2.329 -2.832 -8.123 1.00 0.00 C ATOM 71 CG TRP A 8 1.209 -3.737 -8.542 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.219 -3.454 -9.440 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.963 -5.068 -8.076 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.626 -4.530 -9.561 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.191 -5.533 -8.736 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.608 -5.913 -7.170 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.714 -6.805 -8.514 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.088 -7.175 -6.950 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.063 -7.612 -7.621 1.00 0.00 C ATOM 0 H TRP A 8 2.993 -5.042 -9.523 1.00 0.00 H new ATOM 0 HA TRP A 8 4.395 -2.577 -8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.254 -2.645 -7.052 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.216 -1.870 -8.623 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.116 -2.522 -9.976 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.445 -4.575 -10.167 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.497 -5.586 -6.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.602 -7.142 -9.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.577 -7.836 -6.249 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.443 -8.605 -7.429 1.00 0.00 H new ATOM 90 N TYR A 9 5.064 -5.175 -7.483 1.00 0.00 N ATOM 91 CA TYR A 9 5.644 -5.978 -6.414 1.00 0.00 C ATOM 92 C TYR A 9 7.121 -5.649 -6.225 1.00 0.00 C ATOM 93 O TYR A 9 7.910 -5.716 -7.169 1.00 0.00 O ATOM 94 CB TYR A 9 5.476 -7.468 -6.718 1.00 0.00 C ATOM 95 CG TYR A 9 5.405 -8.334 -5.481 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.201 -8.525 -4.812 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.539 -8.960 -4.980 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.131 -9.316 -3.681 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.478 -9.754 -3.851 1.00 0.00 C ATOM 100 CZ TYR A 9 5.271 -9.928 -3.205 1.00 0.00 C ATOM 101 OH TYR A 9 5.207 -10.716 -2.079 1.00 0.00 O ATOM 0 H TYR A 9 5.334 -5.465 -8.423 1.00 0.00 H new ATOM 0 HA TYR A 9 5.117 -5.741 -5.490 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.568 -7.611 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.310 -7.800 -7.337 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.306 -8.047 -5.182 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.485 -8.824 -5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.188 -9.454 -3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.369 -10.235 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 9 4.368 -10.541 -1.604 1.00 0.00 H new ATOM 111 N HIS A 10 7.491 -5.293 -5.000 1.00 0.00 N ATOM 112 CA HIS A 10 8.874 -4.955 -4.685 1.00 0.00 C ATOM 113 C HIS A 10 9.521 -6.045 -3.837 1.00 0.00 C ATOM 114 O HIS A 10 10.497 -6.671 -4.251 1.00 0.00 O ATOM 115 CB HIS A 10 8.939 -3.615 -3.952 1.00 0.00 C ATOM 116 CG HIS A 10 8.616 -2.439 -4.821 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.580 -1.616 -5.364 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.426 -1.951 -5.243 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.997 -0.672 -6.080 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.690 -0.852 -6.023 1.00 0.00 N ATOM 0 H HIS A 10 6.852 -5.231 -4.208 1.00 0.00 H new ATOM 0 HA HIS A 10 9.425 -4.875 -5.622 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.245 -3.636 -3.112 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.939 -3.486 -3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.450 -2.351 -5.010 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.503 0.114 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.990 -0.270 -6.483 1.00 0.00 H new ATOM 129 N GLY A 11 8.971 -6.266 -2.646 1.00 0.00 N ATOM 130 CA GLY A 11 9.510 -7.281 -1.758 1.00 0.00 C ATOM 131 C GLY A 11 10.651 -6.760 -0.908 1.00 0.00 C ATOM 132 O GLY A 11 11.182 -5.678 -1.162 1.00 0.00 O ATOM 0 H GLY A 11 8.163 -5.761 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.716 -7.650 -1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.858 -8.128 -2.349 1.00 0.00 H new ATOM 136 N HIS A 12 11.030 -7.531 0.107 1.00 0.00 N ATOM 137 CA HIS A 12 12.116 -7.141 0.999 1.00 0.00 C ATOM 138 C HIS A 12 12.099 -5.636 1.251 1.00 0.00 C ATOM 139 O HIS A 12 13.131 -4.971 1.164 1.00 0.00 O ATOM 140 CB HIS A 12 13.464 -7.556 0.408 1.00 0.00 C ATOM 141 CG HIS A 12 13.900 -8.929 0.816 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.708 -10.044 0.028 1.00 0.00 N ATOM 143 CD2 HIS A 12 14.521 -9.365 1.937 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.193 -11.106 0.647 1.00 0.00 C ATOM 145 NE2 HIS A 12 14.692 -10.720 1.807 1.00 0.00 N ATOM 0 H HIS A 12 10.601 -8.429 0.332 1.00 0.00 H new ATOM 0 HA HIS A 12 11.972 -7.652 1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.404 -7.511 -0.679 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.223 -6.837 0.715 1.00 0.00 H new ATOM 0 HD2 HIS A 12 14.825 -8.759 2.777 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.183 -12.117 0.269 1.00 0.00 H new ATOM 0 HE2 HIS A 12 15.133 -11.330 2.495 1.00 0.00 H new ATOM 154 N MET A 13 10.921 -5.106 1.561 1.00 0.00 N ATOM 155 CA MET A 13 10.770 -3.680 1.826 1.00 0.00 C ATOM 156 C MET A 13 10.012 -3.445 3.128 1.00 0.00 C ATOM 157 O MET A 13 9.025 -4.123 3.414 1.00 0.00 O ATOM 158 CB MET A 13 10.039 -2.999 0.667 1.00 0.00 C ATOM 159 CG MET A 13 9.682 -1.547 0.942 1.00 0.00 C ATOM 160 SD MET A 13 8.808 -0.775 -0.432 1.00 0.00 S ATOM 161 CE MET A 13 10.106 -0.705 -1.663 1.00 0.00 C ATOM 0 H MET A 13 10.057 -5.642 1.635 1.00 0.00 H new ATOM 0 HA MET A 13 11.766 -3.247 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.664 -3.048 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.127 -3.554 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.063 -1.492 1.838 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.593 -0.986 1.149 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.729 -0.218 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.950 -0.138 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 13 10.431 -1.716 -1.907 1.00 0.00 H new ATOM 171 N SER A 14 10.481 -2.482 3.915 1.00 0.00 N ATOM 172 CA SER A 14 9.849 -2.161 5.189 1.00 0.00 C ATOM 173 C SER A 14 8.868 -1.003 5.034 1.00 0.00 C ATOM 174 O SER A 14 8.699 -0.460 3.942 1.00 0.00 O ATOM 175 CB SER A 14 10.910 -1.807 6.234 1.00 0.00 C ATOM 176 OG SER A 14 11.738 -0.750 5.781 1.00 0.00 O ATOM 0 H SER A 14 11.296 -1.911 3.693 1.00 0.00 H new ATOM 0 HA SER A 14 9.297 -3.040 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.425 -1.519 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.520 -2.684 6.450 1.00 0.00 H new ATOM 0 HG SER A 14 12.406 -0.541 6.467 1.00 0.00 H new ATOM 182 N GLY A 15 8.220 -0.631 6.135 1.00 0.00 N ATOM 183 CA GLY A 15 7.263 0.459 6.099 1.00 0.00 C ATOM 184 C GLY A 15 7.928 1.809 5.917 1.00 0.00 C ATOM 185 O GLY A 15 7.679 2.504 4.933 1.00 0.00 O ATOM 0 H GLY A 15 8.341 -1.065 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.558 0.292 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.687 0.463 7.024 1.00 0.00 H new ATOM 189 N GLY A 16 8.777 2.182 6.871 1.00 0.00 N ATOM 190 CA GLY A 16 9.464 3.458 6.793 1.00 0.00 C ATOM 191 C GLY A 16 9.994 3.748 5.402 1.00 0.00 C ATOM 192 O GLY A 16 10.100 4.906 5.001 1.00 0.00 O ATOM 0 H GLY A 16 9.001 1.624 7.695 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.781 4.253 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.291 3.465 7.502 1.00 0.00 H new ATOM 196 N GLN A 17 10.327 2.693 4.667 1.00 0.00 N ATOM 197 CA GLN A 17 10.851 2.841 3.313 1.00 0.00 C ATOM 198 C GLN A 17 9.750 3.263 2.347 1.00 0.00 C ATOM 199 O GLN A 17 9.789 4.357 1.784 1.00 0.00 O ATOM 200 CB GLN A 17 11.485 1.531 2.843 1.00 0.00 C ATOM 201 CG GLN A 17 12.611 1.725 1.842 1.00 0.00 C ATOM 202 CD GLN A 17 13.838 2.367 2.460 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.327 1.924 3.500 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.342 3.417 1.823 1.00 0.00 N ATOM 0 H GLN A 17 10.244 1.727 4.985 1.00 0.00 H new ATOM 0 HA GLN A 17 11.613 3.620 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.869 0.992 3.709 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.714 0.905 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.886 0.759 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.257 2.345 1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.905 3.751 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.167 3.890 2.193 1.00 0.00 H new ATOM 213 N ALA A 18 8.767 2.387 2.159 1.00 0.00 N ATOM 214 CA ALA A 18 7.654 2.670 1.261 1.00 0.00 C ATOM 215 C ALA A 18 7.226 4.130 1.360 1.00 0.00 C ATOM 216 O ALA A 18 6.969 4.780 0.348 1.00 0.00 O ATOM 217 CB ALA A 18 6.480 1.752 1.571 1.00 0.00 C ATOM 0 H ALA A 18 8.719 1.477 2.616 1.00 0.00 H new ATOM 0 HA ALA A 18 7.987 2.485 0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.656 1.974 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.786 0.714 1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.156 1.910 2.600 1.00 0.00 H new ATOM 223 N GLU A 19 7.151 4.638 2.586 1.00 0.00 N ATOM 224 CA GLU A 19 6.752 6.021 2.816 1.00 0.00 C ATOM 225 C GLU A 19 7.630 6.980 2.018 1.00 0.00 C ATOM 226 O GLU A 19 7.134 7.910 1.379 1.00 0.00 O ATOM 227 CB GLU A 19 6.833 6.359 4.306 1.00 0.00 C ATOM 228 CG GLU A 19 5.539 6.103 5.060 1.00 0.00 C ATOM 229 CD GLU A 19 5.419 6.947 6.316 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.805 8.132 6.273 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.937 6.418 7.340 1.00 0.00 O ATOM 0 H GLU A 19 7.361 4.113 3.435 1.00 0.00 H new ATOM 0 HA GLU A 19 5.721 6.134 2.481 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.631 5.771 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.107 7.408 4.417 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.693 6.311 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.482 5.048 5.329 1.00 0.00 H new ATOM 238 N THR A 20 8.938 6.749 2.059 1.00 0.00 N ATOM 239 CA THR A 20 9.886 7.592 1.342 1.00 0.00 C ATOM 240 C THR A 20 9.678 7.494 -0.165 1.00 0.00 C ATOM 241 O THR A 20 9.467 8.504 -0.840 1.00 0.00 O ATOM 242 CB THR A 20 11.341 7.209 1.674 1.00 0.00 C ATOM 243 OG1 THR A 20 11.560 7.294 3.086 1.00 0.00 O ATOM 244 CG2 THR A 20 12.319 8.122 0.949 1.00 0.00 C ATOM 0 H THR A 20 9.365 5.984 2.582 1.00 0.00 H new ATOM 0 HA THR A 20 9.705 8.617 1.665 1.00 0.00 H new ATOM 0 HB THR A 20 11.509 6.185 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.487 7.047 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.340 7.833 1.198 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.170 8.034 -0.127 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.149 9.154 1.256 1.00 0.00 H new ATOM 252 N LEU A 21 9.738 6.275 -0.688 1.00 0.00 N ATOM 253 CA LEU A 21 9.556 6.045 -2.117 1.00 0.00 C ATOM 254 C LEU A 21 8.245 6.657 -2.604 1.00 0.00 C ATOM 255 O LEU A 21 8.226 7.425 -3.568 1.00 0.00 O ATOM 256 CB LEU A 21 9.574 4.546 -2.420 1.00 0.00 C ATOM 257 CG LEU A 21 10.830 3.789 -1.986 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.694 3.306 -0.551 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.098 2.619 -2.923 1.00 0.00 C ATOM 0 H LEU A 21 9.911 5.430 -0.144 1.00 0.00 H new ATOM 0 HA LEU A 21 10.380 6.526 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.712 4.087 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.445 4.411 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 21 11.678 4.471 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.597 2.770 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.552 4.162 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.835 2.640 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 21 11.995 2.092 -2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.249 1.936 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.242 2.991 -3.937 1.00 0.00 H new ATOM 271 N LEU A 22 7.152 6.315 -1.931 1.00 0.00 N ATOM 272 CA LEU A 22 5.837 6.832 -2.294 1.00 0.00 C ATOM 273 C LEU A 22 5.815 8.356 -2.227 1.00 0.00 C ATOM 274 O LEU A 22 5.605 9.027 -3.238 1.00 0.00 O ATOM 275 CB LEU A 22 4.768 6.255 -1.366 1.00 0.00 C ATOM 276 CG LEU A 22 4.303 4.832 -1.681 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.525 4.253 -0.509 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.459 4.814 -2.947 1.00 0.00 C ATOM 0 H LEU A 22 7.150 5.682 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 22 5.623 6.528 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.152 6.273 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.900 6.914 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 22 5.183 4.211 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.202 3.240 -0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.163 4.229 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.652 4.874 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.137 3.794 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.584 5.450 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.050 5.186 -3.784 1.00 0.00 H new ATOM 290 N GLN A 23 6.035 8.895 -1.032 1.00 0.00 N ATOM 291 CA GLN A 23 6.041 10.340 -0.836 1.00 0.00 C ATOM 292 C GLN A 23 6.896 11.029 -1.895 1.00 0.00 C ATOM 293 O GLN A 23 6.462 11.996 -2.522 1.00 0.00 O ATOM 294 CB GLN A 23 6.563 10.684 0.560 1.00 0.00 C ATOM 295 CG GLN A 23 5.548 10.445 1.666 1.00 0.00 C ATOM 296 CD GLN A 23 6.108 10.728 3.044 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.302 10.553 3.290 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.247 11.170 3.955 1.00 0.00 N ATOM 0 H GLN A 23 6.211 8.353 -0.186 1.00 0.00 H new ATOM 0 HA GLN A 23 5.016 10.699 -0.932 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.454 10.090 0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.867 11.731 0.577 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.676 11.076 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.206 9.411 1.623 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.266 11.301 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.567 11.378 4.901 1.00 0.00 H new ATOM 307 N ALA A 24 8.110 10.526 -2.088 1.00 0.00 N ATOM 308 CA ALA A 24 9.024 11.094 -3.072 1.00 0.00 C ATOM 309 C ALA A 24 8.361 11.198 -4.441 1.00 0.00 C ATOM 310 O ALA A 24 8.519 12.196 -5.145 1.00 0.00 O ATOM 311 CB ALA A 24 10.290 10.255 -3.160 1.00 0.00 C ATOM 0 H ALA A 24 8.484 9.727 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 24 9.289 12.101 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.964 10.690 -3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.781 10.235 -2.187 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.033 9.238 -3.458 1.00 0.00 H new ATOM 317 N LYS A 25 7.617 10.161 -4.813 1.00 0.00 N ATOM 318 CA LYS A 25 6.927 10.137 -6.098 1.00 0.00 C ATOM 319 C LYS A 25 6.027 11.357 -6.257 1.00 0.00 C ATOM 320 O LYS A 25 5.877 11.892 -7.355 1.00 0.00 O ATOM 321 CB LYS A 25 6.099 8.857 -6.230 1.00 0.00 C ATOM 322 CG LYS A 25 5.471 8.678 -7.602 1.00 0.00 C ATOM 323 CD LYS A 25 6.471 8.131 -8.606 1.00 0.00 C ATOM 324 CE LYS A 25 6.073 8.475 -10.034 1.00 0.00 C ATOM 325 NZ LYS A 25 7.018 7.895 -11.028 1.00 0.00 N ATOM 0 H LYS A 25 7.477 9.327 -4.243 1.00 0.00 H new ATOM 0 HA LYS A 25 7.679 10.160 -6.887 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.736 7.999 -6.016 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.311 8.865 -5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.620 8.000 -7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.086 9.635 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.460 8.538 -8.395 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.542 7.049 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.067 8.104 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.042 9.558 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.712 8.152 -11.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.974 8.268 -10.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.029 6.859 -10.933 1.00 0.00 H new ATOM 339 N GLY A 26 5.430 11.794 -5.152 1.00 0.00 N ATOM 340 CA GLY A 26 4.553 12.950 -5.190 1.00 0.00 C ATOM 341 C GLY A 26 3.337 12.726 -6.068 1.00 0.00 C ATOM 342 O GLY A 26 2.790 13.671 -6.634 1.00 0.00 O ATOM 0 H GLY A 26 5.538 11.368 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.227 13.189 -4.178 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.109 13.812 -5.558 1.00 0.00 H new ATOM 346 N GLU A 27 2.914 11.471 -6.181 1.00 0.00 N ATOM 347 CA GLU A 27 1.757 11.126 -6.998 1.00 0.00 C ATOM 348 C GLU A 27 0.632 10.558 -6.136 1.00 0.00 C ATOM 349 O GLU A 27 0.797 9.561 -5.434 1.00 0.00 O ATOM 350 CB GLU A 27 2.148 10.114 -8.075 1.00 0.00 C ATOM 351 CG GLU A 27 2.737 10.751 -9.324 1.00 0.00 C ATOM 352 CD GLU A 27 1.679 11.114 -10.347 1.00 0.00 C ATOM 353 OE1 GLU A 27 1.002 12.146 -10.163 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.528 10.362 -11.335 1.00 0.00 O ATOM 0 H GLU A 27 3.355 10.677 -5.717 1.00 0.00 H new ATOM 0 HA GLU A 27 1.400 12.037 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.872 9.414 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.268 9.534 -8.353 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.289 11.648 -9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.453 10.064 -9.775 1.00 0.00 H new ATOM 361 N PRO A 28 -0.540 11.209 -6.189 1.00 0.00 N ATOM 362 CA PRO A 28 -1.714 10.787 -5.420 1.00 0.00 C ATOM 363 C PRO A 28 -2.305 9.480 -5.935 1.00 0.00 C ATOM 364 O PRO A 28 -2.326 9.229 -7.140 1.00 0.00 O ATOM 365 CB PRO A 28 -2.703 11.938 -5.623 1.00 0.00 C ATOM 366 CG PRO A 28 -2.302 12.559 -6.917 1.00 0.00 C ATOM 367 CD PRO A 28 -0.808 12.405 -7.003 1.00 0.00 C ATOM 0 HA PRO A 28 -1.470 10.596 -4.375 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.730 11.575 -5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.647 12.656 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.794 12.067 -7.756 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.589 13.610 -6.951 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.477 12.272 -8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.291 13.281 -6.612 1.00 0.00 H new ATOM 375 N TRP A 29 -2.785 8.650 -5.016 1.00 0.00 N ATOM 376 CA TRP A 29 -3.377 7.368 -5.377 1.00 0.00 C ATOM 377 C TRP A 29 -2.311 6.396 -5.872 1.00 0.00 C ATOM 378 O TRP A 29 -2.593 5.506 -6.676 1.00 0.00 O ATOM 379 CB TRP A 29 -4.447 7.562 -6.453 1.00 0.00 C ATOM 380 CG TRP A 29 -5.320 8.756 -6.214 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.692 9.697 -7.131 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.928 9.138 -4.975 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.495 10.641 -6.537 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.655 10.321 -5.215 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.930 8.596 -3.687 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.375 10.968 -4.214 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.645 9.240 -2.695 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.361 10.415 -2.963 1.00 0.00 C ATOM 0 H TRP A 29 -2.776 8.843 -4.014 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.841 6.946 -4.485 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.962 7.664 -7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.070 6.669 -6.501 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.398 9.699 -8.170 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.905 11.449 -7.005 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.383 7.690 -3.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.925 11.875 -4.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.652 8.831 -1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.912 10.893 -2.166 1.00 0.00 H new ATOM 399 N THR A 30 -1.085 6.572 -5.389 1.00 0.00 N ATOM 400 CA THR A 30 0.023 5.711 -5.783 1.00 0.00 C ATOM 401 C THR A 30 0.147 4.512 -4.850 1.00 0.00 C ATOM 402 O THR A 30 0.704 4.618 -3.758 1.00 0.00 O ATOM 403 CB THR A 30 1.356 6.482 -5.791 1.00 0.00 C ATOM 404 OG1 THR A 30 1.304 7.542 -6.751 1.00 0.00 O ATOM 405 CG2 THR A 30 2.516 5.552 -6.118 1.00 0.00 C ATOM 0 H THR A 30 -0.834 7.304 -4.724 1.00 0.00 H new ATOM 0 HA THR A 30 -0.192 5.360 -6.792 1.00 0.00 H new ATOM 0 HB THR A 30 1.514 6.901 -4.797 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.676 8.230 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.447 6.118 -6.118 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.572 4.762 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.361 5.109 -7.102 1.00 0.00 H new ATOM 413 N PHE A 31 -0.377 3.371 -5.287 1.00 0.00 N ATOM 414 CA PHE A 31 -0.325 2.151 -4.490 1.00 0.00 C ATOM 415 C PHE A 31 0.919 1.335 -4.827 1.00 0.00 C ATOM 416 O PHE A 31 1.550 1.542 -5.864 1.00 0.00 O ATOM 417 CB PHE A 31 -1.581 1.310 -4.725 1.00 0.00 C ATOM 418 CG PHE A 31 -1.556 0.544 -6.016 1.00 0.00 C ATOM 419 CD1 PHE A 31 -2.008 1.125 -7.191 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.083 -0.757 -6.057 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.986 0.424 -8.381 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.058 -1.465 -7.244 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.512 -0.873 -8.407 1.00 0.00 C ATOM 0 H PHE A 31 -0.842 3.266 -6.189 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.278 2.434 -3.438 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.699 0.609 -3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.453 1.964 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.382 2.138 -7.176 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.729 -1.224 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.339 0.889 -9.290 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.685 -2.478 -7.262 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.496 -1.424 -9.336 1.00 0.00 H new ATOM 433 N LEU A 32 1.267 0.405 -3.943 1.00 0.00 N ATOM 434 CA LEU A 32 2.435 -0.444 -4.145 1.00 0.00 C ATOM 435 C LEU A 32 2.388 -1.663 -3.230 1.00 0.00 C ATOM 436 O LEU A 32 2.047 -1.554 -2.051 1.00 0.00 O ATOM 437 CB LEU A 32 3.717 0.350 -3.890 1.00 0.00 C ATOM 438 CG LEU A 32 4.192 0.410 -2.438 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.116 -0.758 -2.130 1.00 0.00 C ATOM 440 CD2 LEU A 32 4.890 1.733 -2.158 1.00 0.00 C ATOM 0 H LEU A 32 0.756 0.221 -3.080 1.00 0.00 H new ATOM 0 HA LEU A 32 2.428 -0.789 -5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.514 -0.082 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.565 1.370 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 32 3.320 0.338 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.444 -0.699 -1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.583 -1.695 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.984 -0.718 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.221 1.757 -1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.753 1.836 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.197 2.555 -2.337 1.00 0.00 H new ATOM 452 N VAL A 33 2.734 -2.823 -3.778 1.00 0.00 N ATOM 453 CA VAL A 33 2.734 -4.062 -3.011 1.00 0.00 C ATOM 454 C VAL A 33 4.136 -4.406 -2.522 1.00 0.00 C ATOM 455 O VAL A 33 5.110 -4.288 -3.266 1.00 0.00 O ATOM 456 CB VAL A 33 2.190 -5.238 -3.843 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.017 -6.474 -2.973 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.876 -4.857 -4.509 1.00 0.00 C ATOM 0 H VAL A 33 3.018 -2.930 -4.752 1.00 0.00 H new ATOM 0 HA VAL A 33 2.082 -3.902 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 33 2.913 -5.472 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.632 -7.294 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.980 -6.758 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.315 -6.257 -2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.506 -5.700 -5.093 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.144 -4.595 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.036 -4.003 -5.167 1.00 0.00 H new ATOM 468 N ARG A 34 4.232 -4.831 -1.267 1.00 0.00 N ATOM 469 CA ARG A 34 5.517 -5.192 -0.678 1.00 0.00 C ATOM 470 C ARG A 34 5.347 -6.294 0.363 1.00 0.00 C ATOM 471 O ARG A 34 4.236 -6.561 0.822 1.00 0.00 O ATOM 472 CB ARG A 34 6.170 -3.965 -0.037 1.00 0.00 C ATOM 473 CG ARG A 34 5.296 -3.285 1.004 1.00 0.00 C ATOM 474 CD ARG A 34 5.990 -2.073 1.607 1.00 0.00 C ATOM 475 NE ARG A 34 5.100 -1.309 2.477 1.00 0.00 N ATOM 476 CZ ARG A 34 4.859 -1.626 3.745 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.441 -2.686 4.287 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.037 -0.881 4.472 1.00 0.00 N ATOM 0 H ARG A 34 3.436 -4.934 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 34 6.162 -5.565 -1.474 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.109 -4.265 0.429 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.417 -3.246 -0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.356 -2.977 0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.049 -3.995 1.794 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.860 -2.400 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.355 -1.429 0.807 1.00 0.00 H new ATOM 0 HE ARG A 34 4.638 -0.486 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.075 -3.260 3.731 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.255 -2.928 5.260 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.589 -0.064 4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.853 -1.126 5.445 1.00 0.00 H new ATOM 492 N GLU A 35 6.455 -6.930 0.731 1.00 0.00 N ATOM 493 CA GLU A 35 6.428 -8.003 1.717 1.00 0.00 C ATOM 494 C GLU A 35 6.779 -7.477 3.106 1.00 0.00 C ATOM 495 O GLU A 35 7.276 -6.359 3.249 1.00 0.00 O ATOM 496 CB GLU A 35 7.401 -9.115 1.320 1.00 0.00 C ATOM 497 CG GLU A 35 6.897 -9.988 0.183 1.00 0.00 C ATOM 498 CD GLU A 35 5.864 -11.000 0.639 1.00 0.00 C ATOM 499 OE1 GLU A 35 4.823 -10.580 1.185 1.00 0.00 O ATOM 500 OE2 GLU A 35 6.098 -12.213 0.451 1.00 0.00 O ATOM 0 H GLU A 35 7.382 -6.720 0.361 1.00 0.00 H new ATOM 0 HA GLU A 35 5.416 -8.408 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.352 -8.668 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.597 -9.743 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.463 -9.355 -0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.739 -10.512 -0.269 1.00 0.00 H new ATOM 507 N SER A 36 6.516 -8.288 4.125 1.00 0.00 N ATOM 508 CA SER A 36 6.800 -7.903 5.502 1.00 0.00 C ATOM 509 C SER A 36 7.986 -8.690 6.052 1.00 0.00 C ATOM 510 O SER A 36 7.911 -9.908 6.227 1.00 0.00 O ATOM 511 CB SER A 36 5.570 -8.131 6.381 1.00 0.00 C ATOM 512 OG SER A 36 5.826 -7.758 7.724 1.00 0.00 O ATOM 0 H SER A 36 6.106 -9.217 4.023 1.00 0.00 H new ATOM 0 HA SER A 36 7.053 -6.843 5.513 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.730 -7.554 5.994 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.280 -9.181 6.341 1.00 0.00 H new ATOM 0 HG SER A 36 5.023 -7.912 8.265 1.00 0.00 H new ATOM 586 N ASP A 42 3.022 -12.930 5.412 1.00 0.00 N ATOM 587 CA ASP A 42 1.975 -11.933 5.225 1.00 0.00 C ATOM 588 C ASP A 42 2.405 -10.878 4.210 1.00 0.00 C ATOM 589 O ASP A 42 3.562 -10.841 3.790 1.00 0.00 O ATOM 590 CB ASP A 42 1.632 -11.267 6.558 1.00 0.00 C ATOM 591 CG ASP A 42 0.208 -10.745 6.595 1.00 0.00 C ATOM 592 OD1 ASP A 42 -0.695 -11.510 6.994 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.002 -9.571 6.225 1.00 0.00 O ATOM 0 HA ASP A 42 1.089 -12.439 4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.774 -11.984 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.323 -10.443 6.738 1.00 0.00 H new ATOM 598 N PHE A 43 1.466 -10.022 3.819 1.00 0.00 N ATOM 599 CA PHE A 43 1.747 -8.968 2.852 1.00 0.00 C ATOM 600 C PHE A 43 1.265 -7.615 3.368 1.00 0.00 C ATOM 601 O PHE A 43 0.644 -7.527 4.427 1.00 0.00 O ATOM 602 CB PHE A 43 1.079 -9.284 1.512 1.00 0.00 C ATOM 603 CG PHE A 43 1.523 -10.587 0.914 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.183 -11.791 1.512 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.280 -10.611 -0.246 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.590 -12.992 0.963 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.689 -11.810 -0.799 1.00 0.00 C ATOM 608 CZ PHE A 43 2.345 -13.002 -0.193 1.00 0.00 C ATOM 0 H PHE A 43 0.504 -10.038 4.157 1.00 0.00 H new ATOM 0 HA PHE A 43 2.826 -8.919 2.708 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.002 -9.306 1.650 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.294 -8.479 0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.594 -11.790 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.554 -9.682 -0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.318 -13.923 1.438 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.277 -11.814 -1.705 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.666 -13.940 -0.622 1.00 0.00 H new ATOM 618 N VAL A 44 1.556 -6.562 2.610 1.00 0.00 N ATOM 619 CA VAL A 44 1.153 -5.213 2.989 1.00 0.00 C ATOM 620 C VAL A 44 0.886 -4.354 1.759 1.00 0.00 C ATOM 621 O VAL A 44 1.570 -4.478 0.741 1.00 0.00 O ATOM 622 CB VAL A 44 2.226 -4.529 3.857 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.990 -3.028 3.914 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.242 -5.129 5.255 1.00 0.00 C ATOM 0 H VAL A 44 2.069 -6.617 1.730 1.00 0.00 H new ATOM 0 HA VAL A 44 0.235 -5.308 3.569 1.00 0.00 H new ATOM 0 HB VAL A 44 3.201 -4.701 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.758 -2.562 4.532 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.034 -2.614 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.008 -2.830 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.006 -4.634 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.267 -4.989 5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.465 -6.194 5.191 1.00 0.00 H new ATOM 634 N LEU A 45 -0.110 -3.481 1.858 1.00 0.00 N ATOM 635 CA LEU A 45 -0.467 -2.598 0.752 1.00 0.00 C ATOM 636 C LEU A 45 -0.330 -1.134 1.158 1.00 0.00 C ATOM 637 O LEU A 45 -1.019 -0.663 2.063 1.00 0.00 O ATOM 638 CB LEU A 45 -1.899 -2.880 0.292 1.00 0.00 C ATOM 639 CG LEU A 45 -2.479 -1.902 -0.731 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.868 -2.142 -2.104 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.994 -2.028 -0.790 1.00 0.00 C ATOM 0 H LEU A 45 -0.685 -3.365 2.692 1.00 0.00 H new ATOM 0 HA LEU A 45 0.219 -2.792 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.932 -3.883 -0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.547 -2.885 1.169 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.231 -0.888 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.292 -1.437 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.789 -2.000 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.085 -3.161 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.389 -1.325 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.264 -3.044 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.416 -1.806 0.190 1.00 0.00 H new ATOM 653 N SER A 46 0.564 -0.419 0.481 1.00 0.00 N ATOM 654 CA SER A 46 0.793 0.991 0.772 1.00 0.00 C ATOM 655 C SER A 46 0.226 1.873 -0.336 1.00 0.00 C ATOM 656 O SER A 46 0.252 1.506 -1.512 1.00 0.00 O ATOM 657 CB SER A 46 2.289 1.262 0.941 1.00 0.00 C ATOM 658 OG SER A 46 2.856 0.404 1.917 1.00 0.00 O ATOM 0 H SER A 46 1.141 -0.793 -0.272 1.00 0.00 H new ATOM 0 HA SER A 46 0.280 1.233 1.703 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.798 1.119 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.443 2.301 1.232 1.00 0.00 H new ATOM 0 HG SER A 46 2.179 0.180 2.589 1.00 0.00 H new ATOM 664 N VAL A 47 -0.285 3.039 0.046 1.00 0.00 N ATOM 665 CA VAL A 47 -0.857 3.975 -0.913 1.00 0.00 C ATOM 666 C VAL A 47 -0.624 5.417 -0.480 1.00 0.00 C ATOM 667 O VAL A 47 -0.692 5.739 0.707 1.00 0.00 O ATOM 668 CB VAL A 47 -2.369 3.742 -1.093 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.961 4.780 -2.034 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.634 2.334 -1.604 1.00 0.00 C ATOM 0 H VAL A 47 -0.314 3.358 1.014 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.355 3.799 -1.864 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.853 3.848 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.030 4.599 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.804 5.777 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.474 4.709 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.707 2.187 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.138 2.196 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.247 1.608 -0.889 1.00 0.00 H new ATOM 680 N LEU A 48 -0.349 6.284 -1.449 1.00 0.00 N ATOM 681 CA LEU A 48 -0.107 7.695 -1.168 1.00 0.00 C ATOM 682 C LEU A 48 -1.360 8.525 -1.426 1.00 0.00 C ATOM 683 O LEU A 48 -1.647 8.895 -2.564 1.00 0.00 O ATOM 684 CB LEU A 48 1.049 8.214 -2.026 1.00 0.00 C ATOM 685 CG LEU A 48 1.677 9.535 -1.576 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.363 9.369 -0.230 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.663 10.039 -2.621 1.00 0.00 C ATOM 0 H LEU A 48 -0.288 6.034 -2.436 1.00 0.00 H new ATOM 0 HA LEU A 48 0.158 7.791 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.829 7.453 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.691 8.334 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 48 0.883 10.274 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.804 10.319 0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.632 9.054 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.146 8.615 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.100 10.979 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.453 9.301 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.143 10.198 -3.565 1.00 0.00 H new ATOM 699 N SER A 49 -2.101 8.816 -0.362 1.00 0.00 N ATOM 700 CA SER A 49 -3.325 9.601 -0.473 1.00 0.00 C ATOM 701 C SER A 49 -3.031 10.984 -1.045 1.00 0.00 C ATOM 702 O SER A 49 -1.943 11.529 -0.855 1.00 0.00 O ATOM 703 CB SER A 49 -3.997 9.733 0.895 1.00 0.00 C ATOM 704 OG SER A 49 -3.071 10.158 1.879 1.00 0.00 O ATOM 0 H SER A 49 -1.875 8.520 0.588 1.00 0.00 H new ATOM 0 HA SER A 49 -4.001 9.082 -1.152 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.819 10.446 0.833 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.428 8.775 1.186 1.00 0.00 H new ATOM 0 HG SER A 49 -3.369 11.009 2.263 1.00 0.00 H new ATOM 710 N ASP A 50 -4.010 11.547 -1.745 1.00 0.00 N ATOM 711 CA ASP A 50 -3.860 12.868 -2.344 1.00 0.00 C ATOM 712 C ASP A 50 -3.885 13.956 -1.275 1.00 0.00 C ATOM 713 O ASP A 50 -3.681 15.134 -1.569 1.00 0.00 O ATOM 714 CB ASP A 50 -4.967 13.117 -3.368 1.00 0.00 C ATOM 715 CG ASP A 50 -6.188 13.773 -2.752 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.732 13.216 -1.775 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.599 14.843 -3.247 1.00 0.00 O ATOM 0 H ASP A 50 -4.916 11.109 -1.912 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.895 12.902 -2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.583 13.750 -4.168 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.257 12.170 -3.823 1.00 0.00 H new ATOM 722 N GLN A 51 -4.136 13.553 -0.033 1.00 0.00 N ATOM 723 CA GLN A 51 -4.190 14.494 1.079 1.00 0.00 C ATOM 724 C GLN A 51 -2.793 14.770 1.626 1.00 0.00 C ATOM 725 O GLN A 51 -2.145 13.900 2.209 1.00 0.00 O ATOM 726 CB GLN A 51 -5.088 13.951 2.191 1.00 0.00 C ATOM 727 CG GLN A 51 -6.566 13.950 1.834 1.00 0.00 C ATOM 728 CD GLN A 51 -7.372 12.988 2.685 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.210 12.934 3.904 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.246 12.221 2.045 1.00 0.00 N ATOM 0 H GLN A 51 -4.305 12.582 0.228 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.608 15.431 0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.780 12.933 2.431 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.940 14.549 3.090 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.965 14.957 1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.682 13.684 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.348 12.299 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.816 11.554 2.565 1.00 0.00 H new ATOM 739 N PRO A 52 -2.317 16.009 1.437 1.00 0.00 N ATOM 740 CA PRO A 52 -0.992 16.428 1.905 1.00 0.00 C ATOM 741 C PRO A 52 -0.919 16.527 3.424 1.00 0.00 C ATOM 742 O PRO A 52 -1.902 16.861 4.084 1.00 0.00 O ATOM 743 CB PRO A 52 -0.813 17.809 1.269 1.00 0.00 C ATOM 744 CG PRO A 52 -2.199 18.310 1.053 1.00 0.00 C ATOM 745 CD PRO A 52 -3.035 17.097 0.752 1.00 0.00 C ATOM 0 HA PRO A 52 -0.217 15.713 1.630 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.249 18.475 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.265 17.744 0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.569 18.829 1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.233 19.022 0.228 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.052 17.207 1.128 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.110 16.916 -0.320 1.00 0.00 H new ATOM 753 N LYS A 53 0.255 16.234 3.975 1.00 0.00 N ATOM 754 CA LYS A 53 0.459 16.291 5.418 1.00 0.00 C ATOM 755 C LYS A 53 0.075 17.661 5.968 1.00 0.00 C ATOM 756 O LYS A 53 -0.777 17.770 6.849 1.00 0.00 O ATOM 757 CB LYS A 53 1.918 15.983 5.760 1.00 0.00 C ATOM 758 CG LYS A 53 2.218 14.498 5.863 1.00 0.00 C ATOM 759 CD LYS A 53 3.484 14.239 6.664 1.00 0.00 C ATOM 760 CE LYS A 53 3.244 14.412 8.156 1.00 0.00 C ATOM 761 NZ LYS A 53 3.361 15.835 8.575 1.00 0.00 N ATOM 0 H LYS A 53 1.080 15.955 3.444 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.182 15.541 5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.562 16.423 4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.170 16.462 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.378 13.988 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.326 14.078 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.841 13.228 6.466 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.268 14.923 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.252 14.039 8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.963 13.810 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.882 15.891 9.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.872 16.371 7.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.411 16.239 8.700 1.00 0.00 H new ATOM 775 N ALA A 54 0.707 18.704 5.440 1.00 0.00 N ATOM 776 CA ALA A 54 0.428 20.066 5.876 1.00 0.00 C ATOM 777 C ALA A 54 -0.286 20.857 4.785 1.00 0.00 C ATOM 778 O ALA A 54 -1.270 21.546 5.048 1.00 0.00 O ATOM 779 CB ALA A 54 1.719 20.766 6.278 1.00 0.00 C ATOM 0 H ALA A 54 1.416 18.631 4.710 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.231 20.016 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.496 21.783 6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.190 20.220 7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.397 20.797 5.425 1.00 0.00 H new ATOM 785 N GLY A 55 0.217 20.752 3.559 1.00 0.00 N ATOM 786 CA GLY A 55 -0.385 21.463 2.447 1.00 0.00 C ATOM 787 C GLY A 55 0.406 21.308 1.163 1.00 0.00 C ATOM 788 O GLY A 55 1.032 20.277 0.915 1.00 0.00 O ATOM 0 H GLY A 55 1.031 20.187 3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.400 21.096 2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.464 22.521 2.696 1.00 0.00 H new ATOM 792 N PRO A 56 0.383 22.351 0.320 1.00 0.00 N ATOM 793 CA PRO A 56 1.097 22.350 -0.961 1.00 0.00 C ATOM 794 C PRO A 56 2.610 22.405 -0.780 1.00 0.00 C ATOM 795 O PRO A 56 3.204 23.481 -0.760 1.00 0.00 O ATOM 796 CB PRO A 56 0.594 23.622 -1.648 1.00 0.00 C ATOM 797 CG PRO A 56 0.177 24.516 -0.532 1.00 0.00 C ATOM 798 CD PRO A 56 -0.343 23.612 0.551 1.00 0.00 C ATOM 0 HA PRO A 56 0.912 21.440 -1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.376 24.081 -2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.240 23.408 -2.316 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.017 25.111 -0.174 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.592 25.216 -0.859 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.141 24.016 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.422 23.474 0.476 1.00 0.00 H new ATOM 806 N GLY A 57 3.228 21.235 -0.650 1.00 0.00 N ATOM 807 CA GLY A 57 4.668 21.171 -0.473 1.00 0.00 C ATOM 808 C GLY A 57 5.097 19.989 0.372 1.00 0.00 C ATOM 809 O GLY A 57 6.192 19.455 0.195 1.00 0.00 O ATOM 0 H GLY A 57 2.758 20.330 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.148 21.109 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.015 22.093 -0.005 1.00 0.00 H new ATOM 813 N SER A 58 4.233 19.579 1.295 1.00 0.00 N ATOM 814 CA SER A 58 4.532 18.454 2.175 1.00 0.00 C ATOM 815 C SER A 58 4.307 17.127 1.456 1.00 0.00 C ATOM 816 O SER A 58 3.534 17.031 0.503 1.00 0.00 O ATOM 817 CB SER A 58 3.662 18.520 3.432 1.00 0.00 C ATOM 818 OG SER A 58 2.445 17.819 3.247 1.00 0.00 O ATOM 0 H SER A 58 3.321 20.008 1.453 1.00 0.00 H new ATOM 0 HA SER A 58 5.581 18.517 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.205 18.096 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.452 19.561 3.679 1.00 0.00 H new ATOM 0 HG SER A 58 1.817 18.380 2.746 1.00 0.00 H new ATOM 824 N PRO A 59 4.999 16.078 1.923 1.00 0.00 N ATOM 825 CA PRO A 59 4.894 14.737 1.342 1.00 0.00 C ATOM 826 C PRO A 59 3.539 14.091 1.616 1.00 0.00 C ATOM 827 O PRO A 59 3.199 13.804 2.764 1.00 0.00 O ATOM 828 CB PRO A 59 6.010 13.958 2.040 1.00 0.00 C ATOM 829 CG PRO A 59 6.215 14.668 3.334 1.00 0.00 C ATOM 830 CD PRO A 59 5.938 16.120 3.057 1.00 0.00 C ATOM 0 HA PRO A 59 4.985 14.755 0.256 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.727 12.918 2.200 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.922 13.952 1.443 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.544 14.282 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.232 14.527 3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.501 16.618 3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.849 16.662 2.804 1.00 0.00 H new ATOM 838 N LEU A 60 2.772 13.865 0.556 1.00 0.00 N ATOM 839 CA LEU A 60 1.455 13.251 0.683 1.00 0.00 C ATOM 840 C LEU A 60 1.457 12.173 1.762 1.00 0.00 C ATOM 841 O LEU A 60 2.472 11.518 1.997 1.00 0.00 O ATOM 842 CB LEU A 60 1.019 12.649 -0.655 1.00 0.00 C ATOM 843 CG LEU A 60 0.589 13.646 -1.731 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.362 12.936 -3.056 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.667 14.388 -1.299 1.00 0.00 C ATOM 0 H LEU A 60 3.039 14.097 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 60 0.747 14.027 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.843 12.053 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.191 11.965 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 60 1.389 14.374 -1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.056 13.662 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.286 12.451 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.419 12.185 -2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.959 15.093 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.474 13.673 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.470 14.929 -0.374 1.00 0.00 H new ATOM 857 N ARG A 61 0.313 11.994 2.414 1.00 0.00 N ATOM 858 CA ARG A 61 0.184 10.993 3.468 1.00 0.00 C ATOM 859 C ARG A 61 0.235 9.584 2.888 1.00 0.00 C ATOM 860 O ARG A 61 -0.213 9.345 1.766 1.00 0.00 O ATOM 861 CB ARG A 61 -1.126 11.195 4.232 1.00 0.00 C ATOM 862 CG ARG A 61 -1.055 10.761 5.688 1.00 0.00 C ATOM 863 CD ARG A 61 -0.570 11.891 6.583 1.00 0.00 C ATOM 864 NE ARG A 61 -0.213 11.418 7.917 1.00 0.00 N ATOM 865 CZ ARG A 61 0.823 10.623 8.162 1.00 0.00 C ATOM 866 NH1 ARG A 61 1.600 10.215 7.169 1.00 0.00 N ATOM 867 NH2 ARG A 61 1.083 10.235 9.405 1.00 0.00 N ATOM 0 H ARG A 61 -0.537 12.528 2.232 1.00 0.00 H new ATOM 0 HA ARG A 61 1.021 11.114 4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.403 12.248 4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.918 10.636 3.733 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.040 10.430 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.384 9.907 5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.295 12.370 6.125 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.349 12.649 6.664 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.790 11.714 8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.404 10.511 6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.394 9.605 7.361 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.487 10.547 10.172 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.878 9.625 9.593 1.00 0.00 H new ATOM 881 N VAL A 62 0.784 8.651 3.660 1.00 0.00 N ATOM 882 CA VAL A 62 0.892 7.264 3.224 1.00 0.00 C ATOM 883 C VAL A 62 0.051 6.345 4.102 1.00 0.00 C ATOM 884 O VAL A 62 0.194 6.332 5.325 1.00 0.00 O ATOM 885 CB VAL A 62 2.355 6.781 3.249 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.462 5.371 2.691 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.246 7.740 2.471 1.00 0.00 C ATOM 0 H VAL A 62 1.161 8.831 4.591 1.00 0.00 H new ATOM 0 HA VAL A 62 0.520 7.224 2.200 1.00 0.00 H new ATOM 0 HB VAL A 62 2.695 6.763 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.503 5.047 2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.856 4.694 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.104 5.359 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.276 7.384 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.908 7.792 1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.193 8.732 2.920 1.00 0.00 H new ATOM 897 N THR A 63 -0.828 5.574 3.469 1.00 0.00 N ATOM 898 CA THR A 63 -1.695 4.651 4.191 1.00 0.00 C ATOM 899 C THR A 63 -1.148 3.229 4.140 1.00 0.00 C ATOM 900 O THR A 63 -1.022 2.640 3.066 1.00 0.00 O ATOM 901 CB THR A 63 -3.126 4.659 3.620 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.705 5.959 3.771 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.994 3.626 4.322 1.00 0.00 C ATOM 0 H THR A 63 -0.958 5.571 2.457 1.00 0.00 H new ATOM 0 HA THR A 63 -1.724 4.990 5.227 1.00 0.00 H new ATOM 0 HB THR A 63 -3.073 4.406 2.561 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.620 5.872 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.000 3.650 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.565 2.634 4.180 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.040 3.853 5.387 1.00 0.00 H new ATOM 911 N HIS A 64 -0.823 2.682 5.308 1.00 0.00 N ATOM 912 CA HIS A 64 -0.290 1.327 5.395 1.00 0.00 C ATOM 913 C HIS A 64 -1.341 0.363 5.938 1.00 0.00 C ATOM 914 O HIS A 64 -1.763 0.475 7.089 1.00 0.00 O ATOM 915 CB HIS A 64 0.952 1.302 6.288 1.00 0.00 C ATOM 916 CG HIS A 64 1.937 2.386 5.976 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.820 2.318 4.919 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.174 3.570 6.588 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.558 3.413 4.894 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.186 4.190 5.896 1.00 0.00 N ATOM 0 H HIS A 64 -0.919 3.156 6.206 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.013 1.006 4.391 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.642 1.393 7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.444 0.335 6.185 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.892 1.543 4.260 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.663 3.955 7.458 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.334 3.636 4.176 1.00 0.00 H new ATOM 929 N ILE A 65 -1.758 -0.580 5.101 1.00 0.00 N ATOM 930 CA ILE A 65 -2.759 -1.563 5.497 1.00 0.00 C ATOM 931 C ILE A 65 -2.195 -2.978 5.438 1.00 0.00 C ATOM 932 O ILE A 65 -1.583 -3.374 4.446 1.00 0.00 O ATOM 933 CB ILE A 65 -4.011 -1.484 4.601 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.575 -0.062 4.601 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.062 -2.477 5.072 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.304 0.298 3.325 1.00 0.00 C ATOM 0 H ILE A 65 -1.419 -0.685 4.145 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.041 -1.330 6.524 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.727 -1.742 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.257 0.050 5.444 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.759 0.644 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.940 -2.410 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.655 -3.487 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.345 -2.247 6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.677 1.320 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.620 0.219 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.141 -0.385 3.179 1.00 0.00 H new ATOM 948 N LYS A 66 -2.405 -3.737 6.508 1.00 0.00 N ATOM 949 CA LYS A 66 -1.920 -5.110 6.579 1.00 0.00 C ATOM 950 C LYS A 66 -2.736 -6.023 5.670 1.00 0.00 C ATOM 951 O LYS A 66 -3.952 -5.877 5.556 1.00 0.00 O ATOM 952 CB LYS A 66 -1.982 -5.621 8.021 1.00 0.00 C ATOM 953 CG LYS A 66 -1.145 -4.806 8.992 1.00 0.00 C ATOM 954 CD LYS A 66 0.341 -4.978 8.726 1.00 0.00 C ATOM 955 CE LYS A 66 0.857 -6.299 9.274 1.00 0.00 C ATOM 956 NZ LYS A 66 1.071 -6.242 10.746 1.00 0.00 N ATOM 0 H LYS A 66 -2.908 -3.424 7.338 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.884 -5.121 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.019 -5.615 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.645 -6.657 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.411 -3.752 8.908 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.371 -5.111 10.014 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.527 -4.931 7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.891 -4.154 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.146 -7.092 9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.794 -6.556 8.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.439 -7.156 11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.756 -5.491 10.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.168 -6.039 11.220 1.00 0.00 H new ATOM 970 N VAL A 67 -2.058 -6.966 5.024 1.00 0.00 N ATOM 971 CA VAL A 67 -2.720 -7.905 4.126 1.00 0.00 C ATOM 972 C VAL A 67 -2.620 -9.332 4.652 1.00 0.00 C ATOM 973 O VAL A 67 -1.599 -9.998 4.484 1.00 0.00 O ATOM 974 CB VAL A 67 -2.116 -7.849 2.710 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.763 -8.891 1.812 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.270 -6.455 2.120 1.00 0.00 C ATOM 0 H VAL A 67 -1.050 -7.100 5.106 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.768 -7.611 4.078 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.052 -8.074 2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.324 -8.836 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.596 -9.884 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.834 -8.700 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.838 -6.434 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.328 -6.198 2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.755 -5.733 2.753 1.00 0.00 H new ATOM 986 N MET A 68 -3.689 -9.798 5.290 1.00 0.00 N ATOM 987 CA MET A 68 -3.724 -11.148 5.840 1.00 0.00 C ATOM 988 C MET A 68 -3.817 -12.186 4.727 1.00 0.00 C ATOM 989 O MET A 68 -4.251 -11.881 3.615 1.00 0.00 O ATOM 990 CB MET A 68 -4.907 -11.302 6.798 1.00 0.00 C ATOM 991 CG MET A 68 -4.621 -10.798 8.204 1.00 0.00 C ATOM 992 SD MET A 68 -6.120 -10.582 9.182 1.00 0.00 S ATOM 993 CE MET A 68 -6.925 -9.261 8.279 1.00 0.00 C ATOM 0 H MET A 68 -4.543 -9.260 5.439 1.00 0.00 H new ATOM 0 HA MET A 68 -2.798 -11.313 6.390 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.763 -10.762 6.394 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.189 -12.354 6.848 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.960 -11.501 8.710 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.091 -9.848 8.144 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.331 -8.534 8.983 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.201 -8.771 7.629 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.734 -9.673 7.675 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.408 -13.413 5.032 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.444 -14.496 4.056 1.00 0.00 C ATOM 1005 C CYS A 69 -4.399 -15.598 4.503 1.00 0.00 C ATOM 1006 O CYS A 69 -4.171 -16.255 5.519 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.043 -15.071 3.849 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.956 -16.372 2.596 1.00 0.00 S ATOM 0 H CYS A 69 -3.048 -13.682 5.947 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.804 -14.089 3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.369 -14.263 3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.682 -15.470 4.797 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.889 -16.185 1.711 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.470 -15.793 3.739 1.00 0.00 N ATOM 1015 CA GLU A 70 -6.460 -16.814 4.059 1.00 0.00 C ATOM 1016 C GLU A 70 -6.273 -18.048 3.180 1.00 0.00 C ATOM 1017 O GLU A 70 -6.869 -18.157 2.109 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.874 -16.257 3.880 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.906 -16.921 4.777 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.429 -17.067 6.208 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -8.216 -16.031 6.872 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.267 -18.219 6.665 1.00 0.00 O ATOM 0 H GLU A 70 -5.673 -15.258 2.895 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.320 -17.106 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.863 -15.186 4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.175 -16.380 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.825 -16.335 4.763 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.149 -17.905 4.377 1.00 0.00 H new ATOM 1029 N GLY A 71 -5.439 -18.975 3.641 1.00 0.00 N ATOM 1030 CA GLY A 71 -5.187 -20.188 2.885 1.00 0.00 C ATOM 1031 C GLY A 71 -4.836 -19.907 1.438 1.00 0.00 C ATOM 1032 O GLY A 71 -5.615 -20.204 0.534 1.00 0.00 O ATOM 0 H GLY A 71 -4.933 -18.908 4.524 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.372 -20.741 3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.069 -20.827 2.924 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.658 -19.330 1.217 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.227 -19.017 -0.133 1.00 0.00 C ATOM 1038 C GLY A 72 -3.794 -17.703 -0.632 1.00 0.00 C ATOM 1039 O GLY A 72 -3.135 -16.978 -1.378 1.00 0.00 O ATOM 0 H GLY A 72 -2.995 -19.074 1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.138 -18.974 -0.163 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.533 -19.820 -0.804 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.020 -17.395 -0.221 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.676 -16.160 -0.633 1.00 0.00 C ATOM 1045 C ARG A 73 -5.207 -14.983 0.218 1.00 0.00 C ATOM 1046 O ARG A 73 -4.355 -15.139 1.093 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.195 -16.305 -0.529 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.721 -17.620 -1.081 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.219 -17.559 -1.334 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.557 -16.621 -2.402 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.796 -16.412 -2.832 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.809 -17.070 -2.287 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -11.022 -15.543 -3.808 1.00 0.00 N ATOM 0 H ARG A 73 -5.579 -17.984 0.397 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.406 -15.965 -1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.489 -16.216 0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.668 -15.481 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.204 -17.859 -2.010 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.502 -18.424 -0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.583 -18.553 -1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.730 -17.264 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.800 -16.098 -2.842 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.638 -17.738 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.760 -16.908 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.244 -15.035 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.974 -15.383 -4.138 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.767 -13.809 -0.046 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.404 -12.606 0.694 1.00 0.00 C ATOM 1069 C TYR A 74 -6.634 -11.752 0.984 1.00 0.00 C ATOM 1070 O TYR A 74 -7.578 -11.712 0.193 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.377 -11.789 -0.092 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.108 -12.550 -0.403 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.422 -13.232 0.594 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.594 -12.585 -1.694 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.262 -13.928 0.314 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.436 -13.280 -1.983 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.773 -13.950 -0.976 1.00 0.00 C ATOM 1078 OH TYR A 74 0.382 -14.642 -1.259 1.00 0.00 O ATOM 0 H TYR A 74 -6.474 -13.664 -0.767 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.965 -12.913 1.643 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.829 -11.455 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.124 -10.895 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.802 -13.218 1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.109 -12.060 -2.485 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.740 -14.452 1.101 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.052 -13.299 -2.992 1.00 0.00 H new ATOM 0 HH TYR A 74 1.048 -14.466 -0.562 1.00 0.00 H new ATOM 1088 N THR A 75 -6.618 -11.070 2.125 1.00 0.00 N ATOM 1089 CA THR A 75 -7.731 -10.217 2.522 1.00 0.00 C ATOM 1090 C THR A 75 -7.259 -9.076 3.415 1.00 0.00 C ATOM 1091 O THR A 75 -6.158 -9.120 3.965 1.00 0.00 O ATOM 1092 CB THR A 75 -8.817 -11.019 3.263 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.039 -10.274 3.297 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.375 -11.344 4.682 1.00 0.00 C ATOM 0 H THR A 75 -5.846 -11.092 2.791 1.00 0.00 H new ATOM 0 HA THR A 75 -8.155 -9.805 1.606 1.00 0.00 H new ATOM 0 HB THR A 75 -8.978 -11.954 2.726 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.797 -10.884 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.158 -11.911 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.460 -11.936 4.652 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.190 -10.418 5.226 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.098 -8.055 3.558 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.766 -6.902 4.387 1.00 0.00 C ATOM 1104 C VAL A 76 -8.858 -6.634 5.417 1.00 0.00 C ATOM 1105 O VAL A 76 -9.765 -5.835 5.182 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.558 -5.638 3.534 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.243 -5.717 2.773 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.725 -5.443 2.577 1.00 0.00 C ATOM 0 H VAL A 76 -9.013 -8.003 3.110 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.835 -7.140 4.902 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.514 -4.776 4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.114 -4.815 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.418 -5.806 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.254 -6.588 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.561 -4.545 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.802 -6.307 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.649 -5.338 3.146 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.766 -7.307 6.559 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.753 -7.127 7.609 1.00 0.00 C ATOM 1120 C GLY A 77 -11.006 -7.944 7.372 1.00 0.00 C ATOM 1121 O GLY A 77 -11.215 -8.974 8.011 1.00 0.00 O ATOM 0 H GLY A 77 -8.026 -7.974 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.315 -7.408 8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.018 -6.072 7.677 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.846 -7.484 6.449 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.077 -8.191 6.147 1.00 0.00 C ATOM 1127 C GLY A 78 -12.858 -9.677 5.945 1.00 0.00 C ATOM 1128 O GLY A 78 -11.723 -10.155 5.984 1.00 0.00 O ATOM 0 H GLY A 78 -11.696 -6.634 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.788 -8.039 6.959 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.524 -7.767 5.248 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.944 -10.410 5.730 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.865 -11.852 5.522 1.00 0.00 C ATOM 1134 C LEU A 79 -13.568 -12.177 4.062 1.00 0.00 C ATOM 1135 O LEU A 79 -13.148 -13.286 3.736 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.173 -12.520 5.949 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.422 -12.606 7.455 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.874 -12.961 7.737 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.490 -13.627 8.093 1.00 0.00 C ATOM 0 H LEU A 79 -14.890 -10.030 5.695 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.049 -12.238 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.001 -11.976 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.192 -13.530 5.539 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.215 -11.630 7.893 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.032 -13.018 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.524 -12.195 7.315 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.107 -13.925 7.285 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.682 -13.675 9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.665 -14.607 7.649 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.455 -13.331 7.922 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.790 -11.200 3.187 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.544 -11.382 1.761 1.00 0.00 C ATOM 1153 C GLU A 80 -12.189 -12.042 1.522 1.00 0.00 C ATOM 1154 O GLU A 80 -11.401 -12.223 2.452 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.604 -10.037 1.034 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.015 -9.601 0.679 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.102 -8.123 0.348 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.023 -7.299 1.284 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -15.248 -7.790 -0.846 1.00 0.00 O ATOM 0 H GLU A 80 -14.139 -10.276 3.441 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.322 -12.035 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.144 -9.274 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.011 -10.100 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.367 -10.182 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.681 -9.823 1.513 1.00 0.00 H new ATOM 1166 N THR A 81 -11.924 -12.400 0.270 1.00 0.00 N ATOM 1167 CA THR A 81 -10.666 -13.042 -0.092 1.00 0.00 C ATOM 1168 C THR A 81 -10.377 -12.884 -1.581 1.00 0.00 C ATOM 1169 O THR A 81 -11.294 -12.746 -2.390 1.00 0.00 O ATOM 1170 CB THR A 81 -10.677 -14.541 0.261 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.715 -15.207 -0.466 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.888 -14.743 1.754 1.00 0.00 C ATOM 0 H THR A 81 -12.564 -12.256 -0.511 1.00 0.00 H new ATOM 0 HA THR A 81 -9.883 -12.548 0.482 1.00 0.00 H new ATOM 0 HB THR A 81 -9.711 -14.964 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.931 -16.055 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.892 -15.809 1.980 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.081 -14.259 2.304 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.842 -14.306 2.049 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.097 -12.906 -1.935 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.686 -12.766 -3.327 1.00 0.00 C ATOM 1182 C PHE A 82 -7.633 -13.806 -3.692 1.00 0.00 C ATOM 1183 O PHE A 82 -6.741 -14.108 -2.898 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.139 -11.359 -3.581 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.089 -10.265 -3.184 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.034 -9.792 -4.078 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -9.036 -9.711 -1.915 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.910 -8.786 -3.716 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -9.909 -8.705 -1.546 1.00 0.00 C ATOM 1190 CZ PHE A 82 -10.847 -8.241 -2.448 1.00 0.00 C ATOM 0 H PHE A 82 -8.326 -13.019 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.562 -12.927 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.206 -11.236 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.901 -11.256 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.088 -10.214 -5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.304 -10.069 -1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.643 -8.426 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.858 -8.282 -0.554 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.529 -7.454 -2.163 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.741 -14.353 -4.898 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.799 -15.361 -5.370 1.00 0.00 C ATOM 1202 C ASP A 83 -5.362 -14.943 -5.071 1.00 0.00 C ATOM 1203 O ASP A 83 -4.503 -15.783 -4.807 1.00 0.00 O ATOM 1204 CB ASP A 83 -6.974 -15.592 -6.871 1.00 0.00 C ATOM 1205 CG ASP A 83 -6.002 -16.619 -7.417 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -6.073 -17.789 -6.986 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.170 -16.252 -8.272 1.00 0.00 O ATOM 0 H ASP A 83 -8.473 -14.115 -5.567 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.006 -16.292 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.994 -15.921 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.836 -14.649 -7.399 1.00 0.00 H new ATOM 1212 N SER A 84 -5.110 -13.638 -5.116 1.00 0.00 N ATOM 1213 CA SER A 84 -3.777 -13.108 -4.855 1.00 0.00 C ATOM 1214 C SER A 84 -3.799 -11.584 -4.800 1.00 0.00 C ATOM 1215 O SER A 84 -4.855 -10.962 -4.919 1.00 0.00 O ATOM 1216 CB SER A 84 -2.799 -13.577 -5.935 1.00 0.00 C ATOM 1217 OG SER A 84 -2.243 -14.838 -5.607 1.00 0.00 O ATOM 0 H SER A 84 -5.811 -12.929 -5.331 1.00 0.00 H new ATOM 0 HA SER A 84 -3.446 -13.484 -3.887 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.314 -13.642 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.001 -12.843 -6.051 1.00 0.00 H new ATOM 0 HG SER A 84 -2.954 -15.512 -5.579 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.626 -10.988 -4.616 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.510 -9.535 -4.544 1.00 0.00 C ATOM 1225 C LEU A 85 -3.179 -8.875 -5.745 1.00 0.00 C ATOM 1226 O LEU A 85 -3.655 -7.743 -5.661 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.037 -9.125 -4.478 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.430 -9.029 -3.078 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.246 -8.086 -2.206 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.342 -10.407 -2.438 1.00 0.00 C ATOM 0 H LEU A 85 -1.743 -11.487 -4.514 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.016 -9.199 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.455 -9.842 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.928 -8.157 -4.967 1.00 0.00 H new ATOM 0 HG LEU A 85 0.579 -8.627 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.799 -8.030 -1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.257 -7.093 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.267 -8.458 -2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.092 -10.319 -1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.341 -10.837 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.285 -11.054 -3.051 1.00 0.00 H new ATOM 1242 N THR A 86 -3.214 -9.591 -6.865 1.00 0.00 N ATOM 1243 CA THR A 86 -3.825 -9.076 -8.083 1.00 0.00 C ATOM 1244 C THR A 86 -5.329 -8.897 -7.910 1.00 0.00 C ATOM 1245 O THR A 86 -5.854 -7.794 -8.063 1.00 0.00 O ATOM 1246 CB THR A 86 -3.566 -10.009 -9.281 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.159 -10.115 -9.524 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.264 -9.495 -10.530 1.00 0.00 C ATOM 0 H THR A 86 -2.826 -10.530 -6.953 1.00 0.00 H new ATOM 0 HA THR A 86 -3.366 -8.107 -8.281 1.00 0.00 H new ATOM 0 HB THR A 86 -3.968 -10.993 -9.039 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.003 -10.711 -10.286 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.066 -10.171 -11.362 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.338 -9.444 -10.352 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.889 -8.501 -10.773 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.017 -9.986 -7.588 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.462 -9.949 -7.392 1.00 0.00 C ATOM 1258 C ASP A 87 -7.835 -8.960 -6.292 1.00 0.00 C ATOM 1259 O ASP A 87 -8.872 -8.300 -6.362 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.987 -11.342 -7.043 1.00 0.00 C ATOM 1261 CG ASP A 87 -8.359 -12.146 -8.273 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -7.531 -12.223 -9.205 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.477 -12.699 -8.303 1.00 0.00 O ATOM 0 H ASP A 87 -5.598 -10.906 -7.457 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.922 -9.620 -8.324 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.228 -11.881 -6.476 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.860 -11.247 -6.397 1.00 0.00 H new ATOM 1268 N LEU A 88 -6.984 -8.864 -5.276 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.224 -7.957 -4.160 1.00 0.00 C ATOM 1270 C LEU A 88 -7.071 -6.503 -4.597 1.00 0.00 C ATOM 1271 O LEU A 88 -8.010 -5.713 -4.501 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.258 -8.259 -3.014 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.480 -7.470 -1.722 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.046 -8.287 -0.516 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.728 -6.147 -1.772 1.00 0.00 C ATOM 0 H LEU A 88 -6.122 -9.404 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.247 -8.109 -3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.322 -9.322 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.243 -8.069 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.545 -7.258 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.211 -7.709 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.628 -9.208 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -4.987 -8.531 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.896 -5.598 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.662 -6.339 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.087 -5.556 -2.615 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.882 -6.157 -5.080 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.607 -4.799 -5.535 1.00 0.00 C ATOM 1289 C VAL A 89 -6.567 -4.388 -6.645 1.00 0.00 C ATOM 1290 O VAL A 89 -7.333 -3.436 -6.495 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.160 -4.661 -6.046 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.895 -3.241 -6.522 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.173 -5.060 -4.959 1.00 0.00 C ATOM 0 H VAL A 89 -5.094 -6.798 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.746 -4.142 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.026 -5.333 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.868 -3.163 -6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.581 -2.995 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.046 -2.546 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.155 -4.957 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.306 -4.413 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.350 -6.096 -4.670 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.520 -5.110 -7.760 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.387 -4.818 -8.896 1.00 0.00 C ATOM 1305 C GLU A 90 -8.812 -4.530 -8.433 1.00 0.00 C ATOM 1306 O GLU A 90 -9.379 -3.483 -8.749 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.386 -5.990 -9.881 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.099 -6.114 -10.678 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.297 -6.831 -11.999 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -6.270 -8.081 -12.005 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.481 -6.146 -13.026 1.00 0.00 O ATOM 0 H GLU A 90 -5.891 -5.901 -7.901 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.000 -3.931 -9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.553 -6.916 -9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.221 -5.874 -10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.695 -5.119 -10.866 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.359 -6.651 -10.085 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.385 -5.465 -7.683 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.744 -5.311 -7.176 1.00 0.00 C ATOM 1320 C HIS A 91 -10.852 -4.088 -6.271 1.00 0.00 C ATOM 1321 O HIS A 91 -11.936 -3.537 -6.082 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.170 -6.565 -6.411 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.464 -6.405 -5.673 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.731 -5.864 -4.461 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.676 -6.830 -6.177 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.085 -5.970 -4.257 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.632 -6.556 -5.307 1.00 0.00 N flip ATOM 0 H HIS A 91 -8.930 -6.337 -7.413 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.409 -5.170 -8.028 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.261 -7.395 -7.112 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.387 -6.831 -5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.821 -7.311 -7.133 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.616 -5.630 -3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.624 -6.762 -5.426 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.721 -3.668 -5.716 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.688 -2.510 -4.829 1.00 0.00 C ATOM 1338 C PHE A 92 -9.352 -1.240 -5.605 1.00 0.00 C ATOM 1339 O PHE A 92 -9.544 -0.128 -5.113 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.663 -2.725 -3.713 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.247 -3.341 -2.474 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.333 -2.759 -1.839 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.711 -4.504 -1.944 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.871 -3.324 -0.699 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.246 -5.074 -0.805 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.328 -4.484 -0.181 1.00 0.00 C ATOM 0 H PHE A 92 -8.815 -4.112 -5.864 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.678 -2.394 -4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.862 -3.364 -4.084 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.212 -1.767 -3.455 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.764 -1.853 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.865 -4.970 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.716 -2.859 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.819 -5.980 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.748 -4.928 0.709 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.848 -1.414 -6.823 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.486 -0.283 -7.670 1.00 0.00 C ATOM 1358 C LYS A 93 -9.729 0.394 -8.235 1.00 0.00 C ATOM 1359 O LYS A 93 -9.670 1.527 -8.715 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.579 -0.746 -8.812 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.230 -1.265 -8.347 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.148 -1.018 -9.385 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.060 -2.162 -10.381 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.118 -1.858 -11.494 1.00 0.00 N ATOM 0 H LYS A 93 -8.681 -2.327 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.948 0.441 -7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.087 -1.531 -9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.421 0.085 -9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.955 -0.778 -7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.301 -2.333 -8.142 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.356 -0.088 -9.915 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.186 -0.893 -8.887 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.735 -3.067 -9.867 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.050 -2.365 -10.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.086 -2.663 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.442 -1.009 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.167 -1.689 -11.108 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.858 -0.306 -8.175 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.118 0.228 -8.679 1.00 0.00 C ATOM 1380 C LYS A 94 -13.040 0.623 -7.530 1.00 0.00 C ATOM 1381 O LYS A 94 -13.750 1.626 -7.606 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.811 -0.803 -9.572 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.945 -2.173 -8.929 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.485 -3.199 -9.910 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.133 -4.371 -9.190 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.242 -5.571 -10.067 1.00 0.00 N ATOM 0 H LYS A 94 -10.926 -1.245 -7.782 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.897 1.119 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.803 -0.436 -9.834 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.251 -0.901 -10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.973 -2.499 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.609 -2.108 -8.067 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.214 -2.726 -10.568 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.674 -3.562 -10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.549 -4.621 -8.304 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.126 -4.082 -8.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.689 -6.348 -9.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.821 -5.341 -10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.293 -5.863 -10.375 1.00 0.00 H new ATOM 1400 N THR A 95 -13.022 -0.170 -6.463 1.00 0.00 N ATOM 1401 CA THR A 95 -13.855 0.098 -5.298 1.00 0.00 C ATOM 1402 C THR A 95 -13.127 0.981 -4.292 1.00 0.00 C ATOM 1403 O THR A 95 -13.693 1.941 -3.769 1.00 0.00 O ATOM 1404 CB THR A 95 -14.282 -1.209 -4.601 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.130 -1.894 -4.097 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.037 -2.113 -5.563 1.00 0.00 C ATOM 0 H THR A 95 -12.439 -1.003 -6.382 1.00 0.00 H new ATOM 0 HA THR A 95 -14.743 0.618 -5.658 1.00 0.00 H new ATOM 0 HB THR A 95 -14.943 -0.955 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.773 -2.488 -4.790 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.328 -3.029 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.929 -1.599 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.396 -2.360 -6.409 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.866 0.653 -4.026 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.081 1.429 -3.083 1.00 0.00 C ATOM 1416 C GLY A 96 -11.157 0.878 -1.673 1.00 0.00 C ATOM 1417 O GLY A 96 -11.978 0.007 -1.384 1.00 0.00 O ATOM 0 H GLY A 96 -11.374 -0.136 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.041 1.445 -3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.432 2.461 -3.086 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.301 1.386 -0.793 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.276 0.939 0.593 1.00 0.00 C ATOM 1423 C ILE A 97 -10.781 2.029 1.532 1.00 0.00 C ATOM 1424 O ILE A 97 -10.418 3.197 1.395 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.857 0.523 1.025 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.383 -0.680 0.207 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.827 0.204 2.512 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.885 -0.725 0.008 1.00 0.00 C ATOM 0 H ILE A 97 -9.616 2.108 -1.016 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.935 0.073 0.657 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.179 1.356 0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.703 -1.596 0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.870 -0.660 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.817 -0.088 2.801 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.126 1.085 3.079 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.516 -0.614 2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.622 -1.604 -0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.561 0.173 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.390 -0.777 0.978 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.620 1.638 2.486 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.175 2.583 3.449 1.00 0.00 C ATOM 1442 C GLU A 98 -11.515 2.419 4.815 1.00 0.00 C ATOM 1443 O GLU A 98 -11.704 1.407 5.489 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.687 2.388 3.574 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.305 3.155 4.732 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.809 3.303 4.596 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.478 2.297 4.284 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.315 4.426 4.802 1.00 0.00 O ATOM 0 H GLU A 98 -11.930 0.675 2.613 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.974 3.591 3.087 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.164 2.702 2.645 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.899 1.326 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.077 2.642 5.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.850 4.144 4.792 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.738 3.421 5.215 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.049 3.387 6.500 1.00 0.00 C ATOM 1457 C GLU A 99 -11.040 3.520 7.652 1.00 0.00 C ATOM 1458 O GLU A 99 -11.966 4.329 7.599 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.010 4.506 6.576 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.810 4.285 5.668 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.812 5.425 5.734 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.824 6.167 6.738 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.020 5.575 4.780 1.00 0.00 O ATOM 0 H GLU A 99 -10.570 4.266 4.668 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.544 2.425 6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.486 5.451 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.664 4.600 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.314 3.356 5.947 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.153 4.166 4.640 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.839 2.718 8.693 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.714 2.746 9.859 1.00 0.00 C ATOM 1472 C ALA A 100 -12.217 4.159 10.134 1.00 0.00 C ATOM 1473 O ALA A 100 -13.423 4.405 10.159 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.986 2.196 11.077 1.00 0.00 C ATOM 0 H ALA A 100 -10.078 2.041 8.753 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.578 2.116 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.650 2.223 11.941 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.681 1.167 10.885 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.104 2.804 11.279 1.00 0.00 H new ATOM 1480 N SER A 101 -11.285 5.084 10.341 1.00 0.00 N ATOM 1481 CA SER A 101 -11.635 6.473 10.618 1.00 0.00 C ATOM 1482 C SER A 101 -12.676 6.980 9.626 1.00 0.00 C ATOM 1483 O SER A 101 -13.634 7.654 10.003 1.00 0.00 O ATOM 1484 CB SER A 101 -10.386 7.356 10.561 1.00 0.00 C ATOM 1485 OG SER A 101 -10.513 8.474 11.423 1.00 0.00 O ATOM 0 H SER A 101 -10.282 4.897 10.322 1.00 0.00 H new ATOM 0 HA SER A 101 -12.061 6.522 11.620 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.510 6.772 10.844 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.224 7.697 9.539 1.00 0.00 H new ATOM 0 HG SER A 101 -9.702 9.022 11.370 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.481 6.649 8.352 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.411 7.079 7.323 1.00 0.00 C ATOM 1493 C GLY A 102 -12.725 7.351 6.000 1.00 0.00 C ATOM 1494 O GLY A 102 -13.291 7.099 4.937 1.00 0.00 O ATOM 0 H GLY A 102 -11.696 6.091 8.015 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -14.173 6.312 7.183 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.924 7.982 7.655 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.504 7.872 6.065 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.741 8.180 4.862 1.00 0.00 C ATOM 1500 C ALA A 103 -10.912 7.090 3.809 1.00 0.00 C ATOM 1501 O ALA A 103 -11.173 5.932 4.136 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.269 8.360 5.202 1.00 0.00 C ATOM 0 H ALA A 103 -11.023 8.089 6.938 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.124 9.113 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.711 8.590 4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.157 9.178 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.882 7.441 5.643 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.763 7.468 2.543 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.904 6.522 1.442 1.00 0.00 C ATOM 1510 C PHE A 104 -9.659 6.528 0.559 1.00 0.00 C ATOM 1511 O PHE A 104 -9.290 7.558 -0.006 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.138 6.862 0.605 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.384 6.155 1.060 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.703 4.900 0.568 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.234 6.746 1.981 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.849 4.249 0.984 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.381 6.099 2.402 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.687 4.848 1.904 1.00 0.00 C ATOM 0 H PHE A 104 -10.545 8.422 2.255 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.024 5.525 1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.307 7.938 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.943 6.605 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.049 4.425 -0.148 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.998 7.724 2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.089 3.273 0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.036 6.571 3.119 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.580 4.339 2.233 1.00 0.00 H new ATOM 1528 N VAL A 105 -9.016 5.370 0.445 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.814 5.241 -0.370 1.00 0.00 C ATOM 1530 C VAL A 105 -8.160 4.848 -1.802 1.00 0.00 C ATOM 1531 O VAL A 105 -9.000 3.978 -2.032 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.848 4.196 0.218 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.643 4.009 -0.692 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.410 4.604 1.617 1.00 0.00 C ATOM 0 H VAL A 105 -9.307 4.508 0.907 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.327 6.216 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.372 3.243 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.972 3.267 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.977 3.669 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.116 4.957 -0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.728 3.854 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.904 5.569 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.284 4.682 2.264 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.506 5.494 -2.761 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.746 5.213 -4.171 1.00 0.00 C ATOM 1546 C TYR A 106 -6.469 4.734 -4.856 1.00 0.00 C ATOM 1547 O TYR A 106 -5.402 5.327 -4.692 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.279 6.461 -4.878 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.557 6.999 -4.275 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.542 6.138 -3.807 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.779 8.367 -4.175 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.713 6.625 -3.256 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.945 8.862 -3.623 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.908 7.988 -3.166 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.072 8.477 -2.618 1.00 0.00 O ATOM 0 H TYR A 106 -6.806 6.215 -2.588 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.491 4.420 -4.235 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.517 7.239 -4.847 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.453 6.227 -5.928 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.391 5.071 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.028 9.055 -4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.470 5.943 -2.898 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.101 9.928 -3.550 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.052 9.457 -2.628 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.587 3.657 -5.624 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.443 3.096 -6.335 1.00 0.00 C ATOM 1567 C LEU A 107 -5.592 3.286 -7.841 1.00 0.00 C ATOM 1568 O LEU A 107 -6.156 2.437 -8.532 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.295 1.609 -6.010 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.507 1.217 -4.548 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.976 0.921 -4.283 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.646 0.016 -4.186 1.00 0.00 C ATOM 0 H LEU A 107 -7.463 3.155 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.548 3.624 -6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.005 1.052 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.297 1.290 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.206 2.056 -3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.108 0.644 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.571 1.808 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.302 0.099 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.811 -0.248 -3.141 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.914 -0.829 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.595 0.263 -4.336 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.082 4.405 -8.345 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.156 4.706 -9.769 1.00 0.00 C ATOM 1586 C ARG A 108 -3.991 4.071 -10.522 1.00 0.00 C ATOM 1587 O ARG A 108 -4.185 3.420 -11.548 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.158 6.219 -9.994 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.358 6.924 -9.382 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.676 8.218 -10.115 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.411 7.978 -11.355 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.653 7.507 -11.394 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.294 7.227 -10.267 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.255 7.315 -12.559 1.00 0.00 N ATOM 0 H ARG A 108 -4.613 5.119 -7.787 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.086 4.287 -10.154 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.246 6.642 -9.573 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.137 6.419 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.225 6.264 -9.414 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.159 7.139 -8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.263 8.868 -9.466 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.749 8.745 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.945 8.183 -12.239 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.834 7.373 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.247 6.866 -10.299 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.765 7.529 -13.428 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.208 6.953 -12.587 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.782 4.267 -10.004 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.586 3.714 -10.628 1.00 0.00 C ATOM 1610 C GLN A 109 -0.588 3.247 -9.574 1.00 0.00 C ATOM 1611 O GLN A 109 -0.417 3.872 -8.527 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.933 4.755 -11.540 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.325 5.926 -10.787 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.353 6.972 -10.404 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.498 6.927 -10.855 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.950 7.922 -9.570 1.00 0.00 N ATOM 0 H GLN A 109 -2.605 4.804 -9.155 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.884 2.853 -11.226 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.156 4.271 -12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.679 5.132 -12.240 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.166 5.558 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.446 6.389 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.008 7.921 -9.221 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.598 8.653 -9.278 1.00 0.00 H new ATOM 1625 N PRO A 110 0.086 2.122 -9.854 1.00 0.00 N ATOM 1626 CA PRO A 110 1.079 1.547 -8.941 1.00 0.00 C ATOM 1627 C PRO A 110 2.342 2.397 -8.847 1.00 0.00 C ATOM 1628 O PRO A 110 2.350 3.562 -9.248 1.00 0.00 O ATOM 1629 CB PRO A 110 1.396 0.189 -9.572 1.00 0.00 C ATOM 1630 CG PRO A 110 1.085 0.362 -11.019 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.067 1.327 -11.083 1.00 0.00 C ATOM 0 HA PRO A 110 0.703 1.482 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.441 -0.083 -9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.793 -0.604 -9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.949 0.749 -11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.822 -0.591 -11.478 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.019 1.952 -11.975 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.025 0.808 -11.109 1.00 0.00 H new ATOM 1639 N TYR A 111 3.407 1.809 -8.315 1.00 0.00 N ATOM 1640 CA TYR A 111 4.675 2.514 -8.167 1.00 0.00 C ATOM 1641 C TYR A 111 5.830 1.681 -8.713 1.00 0.00 C ATOM 1642 O TYR A 111 6.028 0.534 -8.310 1.00 0.00 O ATOM 1643 CB TYR A 111 4.926 2.851 -6.695 1.00 0.00 C ATOM 1644 CG TYR A 111 6.246 3.545 -6.450 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.461 4.848 -6.885 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.281 2.899 -5.785 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.666 5.486 -6.663 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.489 3.530 -5.558 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.676 4.823 -6.000 1.00 0.00 C ATOM 1650 OH TYR A 111 9.878 5.454 -5.776 1.00 0.00 O ATOM 0 H TYR A 111 3.418 0.846 -7.979 1.00 0.00 H new ATOM 0 HA TYR A 111 4.616 3.439 -8.741 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.118 3.487 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.894 1.932 -6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.672 5.370 -7.406 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.139 1.886 -5.439 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.816 6.499 -7.007 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.282 3.014 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 111 9.756 6.165 -5.113 1.00 0.00 H new ATOM 1660 N TYR A 112 6.589 2.264 -9.633 1.00 0.00 N ATOM 1661 CA TYR A 112 7.724 1.576 -10.238 1.00 0.00 C ATOM 1662 C TYR A 112 9.043 2.143 -9.722 1.00 0.00 C ATOM 1663 O TYR A 112 9.102 3.279 -9.253 1.00 0.00 O ATOM 1664 CB TYR A 112 7.666 1.695 -11.761 1.00 0.00 C ATOM 1665 CG TYR A 112 6.288 1.454 -12.336 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.562 0.317 -11.999 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.712 2.362 -13.215 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.303 0.093 -12.522 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.453 2.147 -13.741 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.753 1.011 -13.392 1.00 0.00 C ATOM 1671 OH TYR A 112 2.499 0.793 -13.916 1.00 0.00 O ATOM 0 H TYR A 112 6.439 3.212 -9.977 1.00 0.00 H new ATOM 0 HA TYR A 112 7.669 0.523 -9.960 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.003 2.690 -12.052 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.363 0.981 -12.200 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.989 -0.403 -11.317 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.258 3.252 -13.492 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.753 -0.796 -12.251 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.019 2.864 -14.422 1.00 0.00 H new ATOM 0 HH TYR A 112 2.259 1.535 -14.510 1.00 0.00 H new ATOM 1869 N SER B 9 -3.281 2.272 9.218 1.00 0.00 N ATOM 1870 CA SER B 9 -4.671 2.711 9.253 1.00 0.00 C ATOM 1871 C SER B 9 -5.616 1.541 8.995 1.00 0.00 C ATOM 1872 O SER B 9 -5.744 1.071 7.865 1.00 0.00 O ATOM 1873 CB SER B 9 -4.907 3.811 8.217 1.00 0.00 C ATOM 1874 OG SER B 9 -4.311 5.031 8.623 1.00 0.00 O ATOM 0 HA SER B 9 -4.876 3.109 10.247 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.495 3.504 7.256 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.978 3.956 8.073 1.00 0.00 H new ATOM 0 HG SER B 9 -4.475 5.717 7.943 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.275 1.078 10.051 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.210 -0.036 9.941 1.00 0.00 C ATOM 1882 C ASP B 10 -8.338 0.297 8.969 1.00 0.00 C ATOM 1883 O ASP B 10 -8.353 1.367 8.361 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.787 -0.384 11.313 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.979 -1.449 12.028 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.802 -1.184 12.350 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -7.525 -2.546 12.267 1.00 0.00 O ATOM 0 H ASP B 10 -6.179 1.457 10.993 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.666 -0.899 9.557 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.822 0.515 11.928 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.814 -0.729 11.195 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.282 -0.628 8.829 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.415 -0.432 7.931 1.00 0.00 C ATOM 1894 C LEU B 11 -11.720 -0.335 8.714 1.00 0.00 C ATOM 1895 O LEU B 11 -11.747 -0.556 9.924 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.497 -1.582 6.925 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.434 -1.590 5.827 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.148 -0.950 6.325 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.173 -3.010 5.346 1.00 0.00 C ATOM 0 H LEU B 11 -9.285 -1.519 9.325 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.264 0.504 7.394 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.432 -2.522 7.472 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.479 -1.555 6.452 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.805 -1.005 4.985 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.403 -0.965 5.530 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.345 0.081 6.619 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.773 -1.507 7.184 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.413 -2.996 4.564 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.824 -3.618 6.180 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.095 -3.435 4.948 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.800 -0.002 8.015 1.00 0.00 N ATOM 1912 CA ASN B 12 -14.110 0.125 8.645 1.00 0.00 C ATOM 1913 C ASN B 12 -14.789 -1.237 8.768 1.00 0.00 C ATOM 1914 O ASN B 12 -15.475 -1.513 9.752 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.996 1.079 7.841 1.00 0.00 C ATOM 1916 CG ASN B 12 -16.467 0.719 7.936 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.834 -0.422 7.364 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -17.262 1.458 8.515 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.794 0.185 7.012 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.966 0.531 9.646 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.850 2.097 8.201 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.687 1.063 6.796 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.935 2.326 8.940 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -18.248 1.203 8.570 1.00 0.00 H new