USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 679 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 91 THR OG1 : rot -140:sc= 0.465 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0.182 USER MOD Set 2.1: A 92 HIS : no HD1:sc= -4.87! C(o=-6.5!,f=-7.9!) USER MOD Set 2.2: A 98 ASN :FLIP amide:sc= -1.66! C(o=-10!,f=-6.5!) USER MOD Set 3.1: A 81 ASN : amide:sc= -13.5! C(o=-23!,f=-29!) USER MOD Set 3.2: A 83 ASN :FLIP amide:sc= -9.06! C(o=-33!,f=-23!) USER MOD Set 3.3: A 85 GLN :FLIP amide:sc= -0.906 F(o=-29!,f=-23) USER MOD Set 4.1: A 6 CYS SG : rot -34:sc= -21.9! USER MOD Set 4.2: A 9 ASN : amide:sc= -22.6! C(o=-92!,f=-93!) USER MOD Set 4.3: A 11 TYR OH : rot -176:sc= -7.7! USER MOD Set 4.4: A 103 CYS SG : rot 171:sc= -39.5! USER MOD Set 5.1: A 1 ALA N :NH3+ -126:sc= 0.035 (180deg=0) USER MOD Set 5.2: A 2 CYS SG : rot -120:sc= -2.91! USER MOD Set 5.3: A 10 CYS SG : rot -100:sc= -8.48! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -85:sc= 0.639 USER MOD Single : A 8 SER OG : rot 60:sc= 1.18 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00881 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -17.9! C(o=-18!,f=-24!) USER MOD Single : A 24 TYR OH : rot -84:sc= -5.56! USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= 0.0214 (180deg=-0.0386) USER MOD Single : A 27 HIS : no HD1:sc= -13.6! C(o=-14!,f=-22!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 81:sc= 0.994 USER MOD Single : A 36 ASN : amide:sc= -7.62! C(o=-7.6!,f=-9.2!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.02! C(o=-6!,f=-9.5!) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0354) USER MOD Single : A 42 TYR OH : rot 69:sc= -6.39! USER MOD Single : A 43 ASN :FLIP amide:sc= -0.124 F(o=-0.75,f=-0.12) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.488! F(o=-2,f=-0.49!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -10:sc= 1.27 USER MOD Single : A 57 TYR OH : rot -80:sc= -4.44! USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -69:sc= -16.4! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -6.38! C(o=-12!,f=-6.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN :FLIP amide:sc= -16! C(o=-23!,f=-16!) USER MOD Single : A 104 THR OG1 : rot -70:sc= 0.9 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.889 -16.200 -4.552 1.00 0.00 N ATOM 2 CA ALA A 1 -8.860 -14.750 -4.634 1.00 0.00 C ATOM 3 C ALA A 1 -7.441 -14.255 -4.345 1.00 0.00 C ATOM 4 O ALA A 1 -7.094 -13.989 -3.195 1.00 0.00 O ATOM 5 CB ALA A 1 -9.890 -14.162 -3.667 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.284 -16.590 -5.432 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.922 -16.560 -4.418 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.481 -16.490 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 1 -9.128 -14.418 -5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.868 -13.074 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -10.885 -14.520 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -9.652 -14.472 -2.649 1.00 0.00 H new ATOM 11 N CYS A 2 -6.658 -14.147 -5.408 1.00 0.00 N ATOM 12 CA CYS A 2 -5.285 -13.691 -5.283 1.00 0.00 C ATOM 13 C CYS A 2 -4.804 -13.228 -6.661 1.00 0.00 C ATOM 14 O CYS A 2 -4.835 -13.994 -7.622 1.00 0.00 O ATOM 15 CB CYS A 2 -4.378 -14.774 -4.697 1.00 0.00 C ATOM 16 SG CYS A 2 -5.243 -16.302 -4.182 1.00 0.00 S ATOM 0 H CYS A 2 -6.949 -14.368 -6.360 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.241 -12.856 -4.584 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.621 -15.034 -5.437 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.854 -14.362 -3.835 1.00 0.00 H new ATOM 0 HG CYS A 2 -5.054 -16.500 -2.911 1.00 0.00 H new ATOM 21 N ASP A 3 -4.372 -11.977 -6.712 1.00 0.00 N ATOM 22 CA ASP A 3 -3.886 -11.404 -7.956 1.00 0.00 C ATOM 23 C ASP A 3 -2.603 -10.616 -7.683 1.00 0.00 C ATOM 24 O ASP A 3 -1.937 -10.166 -8.614 1.00 0.00 O ATOM 25 CB ASP A 3 -4.913 -10.442 -8.557 1.00 0.00 C ATOM 26 CG ASP A 3 -5.836 -11.056 -9.611 1.00 0.00 C ATOM 27 OD1 ASP A 3 -6.586 -11.983 -9.237 1.00 0.00 O ATOM 28 OD2 ASP A 3 -5.770 -10.586 -10.767 1.00 0.00 O ATOM 0 H ASP A 3 -4.348 -11.344 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.704 -12.220 -8.655 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.525 -10.038 -7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.382 -9.602 -9.006 1.00 0.00 H new ATOM 33 N TYR A 4 -2.297 -10.473 -6.402 1.00 0.00 N ATOM 34 CA TYR A 4 -1.105 -9.747 -5.995 1.00 0.00 C ATOM 35 C TYR A 4 -0.314 -10.535 -4.949 1.00 0.00 C ATOM 36 O TYR A 4 -0.569 -10.417 -3.752 1.00 0.00 O ATOM 37 CB TYR A 4 -1.601 -8.444 -5.365 1.00 0.00 C ATOM 38 CG TYR A 4 -2.368 -7.538 -6.330 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.687 -6.825 -7.295 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.741 -7.435 -6.236 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.408 -5.972 -8.205 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.462 -6.581 -7.144 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.761 -5.893 -8.084 1.00 0.00 C ATOM 44 OH TYR A 4 -4.443 -5.088 -8.941 1.00 0.00 O ATOM 0 H TYR A 4 -2.853 -10.847 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.449 -9.577 -6.848 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.245 -8.684 -4.519 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.746 -7.895 -4.970 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.613 -6.906 -7.368 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.274 -7.995 -5.482 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.887 -5.409 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.536 -6.489 -7.080 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.401 -5.131 -8.738 1.00 0.00 H new ATOM 54 N THR A 5 0.633 -11.323 -5.441 1.00 0.00 N ATOM 55 CA THR A 5 1.464 -12.130 -4.565 1.00 0.00 C ATOM 56 C THR A 5 2.825 -11.463 -4.356 1.00 0.00 C ATOM 57 O THR A 5 3.654 -11.439 -5.264 1.00 0.00 O ATOM 58 CB THR A 5 1.561 -13.534 -5.166 1.00 0.00 C ATOM 59 OG1 THR A 5 0.270 -14.095 -4.950 1.00 0.00 O ATOM 60 CG2 THR A 5 2.502 -14.446 -4.377 1.00 0.00 C ATOM 0 H THR A 5 0.842 -11.419 -6.435 1.00 0.00 H new ATOM 0 HA THR A 5 1.024 -12.216 -3.572 1.00 0.00 H new ATOM 0 HB THR A 5 1.906 -13.463 -6.197 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.231 -14.489 -4.054 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.534 -15.429 -4.846 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.503 -14.015 -4.368 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.140 -14.544 -3.353 1.00 0.00 H new ATOM 68 N CYS A 6 3.012 -10.938 -3.154 1.00 0.00 N ATOM 69 CA CYS A 6 4.258 -10.272 -2.814 1.00 0.00 C ATOM 70 C CYS A 6 5.266 -11.335 -2.373 1.00 0.00 C ATOM 71 O CYS A 6 5.684 -11.357 -1.216 1.00 0.00 O ATOM 72 CB CYS A 6 4.052 -9.200 -1.742 1.00 0.00 C ATOM 73 SG CYS A 6 3.478 -7.581 -2.374 1.00 0.00 S ATOM 0 H CYS A 6 2.322 -10.960 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 6 4.644 -9.748 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.328 -9.568 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.992 -9.054 -1.209 1.00 0.00 H new ATOM 0 HG CYS A 6 3.989 -7.368 -3.550 1.00 0.00 H new ATOM 78 N GLY A 7 5.628 -12.190 -3.318 1.00 0.00 N ATOM 79 CA GLY A 7 6.580 -13.253 -3.042 1.00 0.00 C ATOM 80 C GLY A 7 5.970 -14.307 -2.116 1.00 0.00 C ATOM 81 O GLY A 7 5.979 -15.495 -2.430 1.00 0.00 O ATOM 0 H GLY A 7 5.279 -12.168 -4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.890 -13.720 -3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.475 -12.834 -2.583 1.00 0.00 H new ATOM 85 N SER A 8 5.453 -13.832 -0.991 1.00 0.00 N ATOM 86 CA SER A 8 4.840 -14.719 -0.017 1.00 0.00 C ATOM 87 C SER A 8 3.474 -14.172 0.402 1.00 0.00 C ATOM 88 O SER A 8 3.208 -14.002 1.591 1.00 0.00 O ATOM 89 CB SER A 8 5.739 -14.897 1.209 1.00 0.00 C ATOM 90 OG SER A 8 5.645 -13.794 2.105 1.00 0.00 O ATOM 0 H SER A 8 5.446 -12.845 -0.733 1.00 0.00 H new ATOM 0 HA SER A 8 4.706 -15.696 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.462 -15.813 1.731 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.773 -15.014 0.886 1.00 0.00 H new ATOM 0 HG SER A 8 4.721 -13.705 2.418 1.00 0.00 H new ATOM 96 N ASN A 9 2.645 -13.911 -0.597 1.00 0.00 N ATOM 97 CA ASN A 9 1.313 -13.386 -0.347 1.00 0.00 C ATOM 98 C ASN A 9 0.339 -13.971 -1.371 1.00 0.00 C ATOM 99 O ASN A 9 0.718 -14.813 -2.185 1.00 0.00 O ATOM 100 CB ASN A 9 1.287 -11.862 -0.485 1.00 0.00 C ATOM 101 CG ASN A 9 2.389 -11.217 0.357 1.00 0.00 C ATOM 102 OD1 ASN A 9 2.136 -10.484 1.300 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.621 -11.527 -0.034 1.00 0.00 N ATOM 0 H ASN A 9 2.869 -14.053 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 9 1.027 -13.661 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.415 -11.586 -1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.315 -11.481 -0.172 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.425 -11.145 0.464 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.762 -12.147 -0.832 1.00 0.00 H new ATOM 110 N CYS A 10 -0.898 -13.503 -1.299 1.00 0.00 N ATOM 111 CA CYS A 10 -1.930 -13.969 -2.210 1.00 0.00 C ATOM 112 C CYS A 10 -3.215 -13.191 -1.917 1.00 0.00 C ATOM 113 O CYS A 10 -4.233 -13.782 -1.559 1.00 0.00 O ATOM 114 CB CYS A 10 -2.139 -15.480 -2.102 1.00 0.00 C ATOM 115 SG CYS A 10 -2.365 -16.340 -3.701 1.00 0.00 S ATOM 0 H CYS A 10 -1.209 -12.805 -0.623 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.622 -13.785 -3.239 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.281 -15.915 -1.589 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.013 -15.668 -1.478 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.631 -16.562 -3.899 1.00 0.00 H new ATOM 120 N TYR A 11 -3.127 -11.880 -2.081 1.00 0.00 N ATOM 121 CA TYR A 11 -4.270 -11.017 -1.840 1.00 0.00 C ATOM 122 C TYR A 11 -4.550 -10.126 -3.052 1.00 0.00 C ATOM 123 O TYR A 11 -3.882 -9.111 -3.248 1.00 0.00 O ATOM 124 CB TYR A 11 -3.887 -10.134 -0.650 1.00 0.00 C ATOM 125 CG TYR A 11 -2.392 -9.823 -0.561 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.687 -9.495 -1.700 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.749 -9.871 0.659 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.278 -9.203 -1.616 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.342 -9.578 0.744 1.00 0.00 C ATOM 130 CZ TYR A 11 0.324 -9.258 -0.399 1.00 0.00 C ATOM 131 OH TYR A 11 1.653 -8.983 -0.319 1.00 0.00 O ATOM 0 H TYR A 11 -2.281 -11.394 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.165 -11.609 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.439 -9.196 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.200 -10.627 0.270 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.191 -9.457 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.302 -10.128 1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.286 -8.946 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.173 -9.611 1.693 1.00 0.00 H new ATOM 0 HH TYR A 11 1.961 -9.120 0.601 1.00 0.00 H new ATOM 141 N SER A 12 -5.538 -10.537 -3.832 1.00 0.00 N ATOM 142 CA SER A 12 -5.914 -9.788 -5.019 1.00 0.00 C ATOM 143 C SER A 12 -6.441 -8.408 -4.623 1.00 0.00 C ATOM 144 O SER A 12 -6.502 -8.079 -3.438 1.00 0.00 O ATOM 145 CB SER A 12 -6.965 -10.543 -5.836 1.00 0.00 C ATOM 146 OG SER A 12 -8.116 -10.863 -5.059 1.00 0.00 O ATOM 0 H SER A 12 -6.090 -11.379 -3.666 1.00 0.00 H new ATOM 0 HA SER A 12 -5.027 -9.666 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.262 -9.938 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.527 -11.460 -6.231 1.00 0.00 H new ATOM 0 HG SER A 12 -8.764 -11.343 -5.616 1.00 0.00 H new ATOM 152 N SER A 13 -6.811 -7.637 -5.635 1.00 0.00 N ATOM 153 CA SER A 13 -7.331 -6.299 -5.406 1.00 0.00 C ATOM 154 C SER A 13 -8.469 -6.348 -4.385 1.00 0.00 C ATOM 155 O SER A 13 -8.836 -5.325 -3.810 1.00 0.00 O ATOM 156 CB SER A 13 -7.816 -5.666 -6.712 1.00 0.00 C ATOM 157 OG SER A 13 -8.385 -6.631 -7.593 1.00 0.00 O ATOM 0 H SER A 13 -6.761 -7.913 -6.616 1.00 0.00 H new ATOM 0 HA SER A 13 -6.524 -5.681 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.556 -4.897 -6.490 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.981 -5.171 -7.207 1.00 0.00 H new ATOM 0 HG SER A 13 -8.684 -6.188 -8.414 1.00 0.00 H new ATOM 163 N SER A 14 -8.995 -7.548 -4.189 1.00 0.00 N ATOM 164 CA SER A 14 -10.084 -7.743 -3.247 1.00 0.00 C ATOM 165 C SER A 14 -9.534 -7.829 -1.822 1.00 0.00 C ATOM 166 O SER A 14 -10.207 -7.440 -0.869 1.00 0.00 O ATOM 167 CB SER A 14 -10.884 -9.003 -3.584 1.00 0.00 C ATOM 168 OG SER A 14 -11.995 -9.179 -2.709 1.00 0.00 O ATOM 0 H SER A 14 -8.687 -8.395 -4.667 1.00 0.00 H new ATOM 0 HA SER A 14 -10.756 -6.888 -3.319 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.239 -8.943 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.232 -9.874 -3.522 1.00 0.00 H new ATOM 0 HG SER A 14 -12.481 -9.993 -2.957 1.00 0.00 H new ATOM 174 N ASP A 15 -8.315 -8.340 -1.722 1.00 0.00 N ATOM 175 CA ASP A 15 -7.667 -8.481 -0.429 1.00 0.00 C ATOM 176 C ASP A 15 -6.995 -7.159 -0.054 1.00 0.00 C ATOM 177 O ASP A 15 -7.035 -6.745 1.105 1.00 0.00 O ATOM 178 CB ASP A 15 -6.588 -9.565 -0.470 1.00 0.00 C ATOM 179 CG ASP A 15 -7.060 -10.963 -0.065 1.00 0.00 C ATOM 180 OD1 ASP A 15 -7.906 -11.512 -0.803 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.564 -11.451 0.974 1.00 0.00 O ATOM 0 H ASP A 15 -7.760 -8.661 -2.515 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.427 -8.756 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.181 -9.614 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.771 -9.269 0.188 1.00 0.00 H new ATOM 186 N VAL A 16 -6.392 -6.533 -1.053 1.00 0.00 N ATOM 187 CA VAL A 16 -5.713 -5.266 -0.843 1.00 0.00 C ATOM 188 C VAL A 16 -6.684 -4.271 -0.206 1.00 0.00 C ATOM 189 O VAL A 16 -6.368 -3.651 0.809 1.00 0.00 O ATOM 190 CB VAL A 16 -5.121 -4.763 -2.161 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.561 -3.348 -2.006 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.050 -5.723 -2.682 1.00 0.00 C ATOM 0 H VAL A 16 -6.359 -6.880 -2.012 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.877 -5.391 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.924 -4.726 -2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.146 -3.015 -2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.360 -2.672 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.777 -3.348 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.645 -5.342 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.248 -5.807 -1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.492 -6.705 -2.850 1.00 0.00 H new ATOM 202 N SER A 17 -7.848 -4.149 -0.826 1.00 0.00 N ATOM 203 CA SER A 17 -8.868 -3.239 -0.333 1.00 0.00 C ATOM 204 C SER A 17 -8.856 -3.221 1.197 1.00 0.00 C ATOM 205 O SER A 17 -8.742 -2.159 1.808 1.00 0.00 O ATOM 206 CB SER A 17 -10.254 -3.633 -0.848 1.00 0.00 C ATOM 207 OG SER A 17 -11.266 -2.740 -0.393 1.00 0.00 O ATOM 0 H SER A 17 -8.108 -4.666 -1.666 1.00 0.00 H new ATOM 0 HA SER A 17 -8.643 -2.239 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.245 -3.646 -1.938 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.489 -4.645 -0.519 1.00 0.00 H new ATOM 0 HG SER A 17 -12.135 -3.025 -0.744 1.00 0.00 H new ATOM 213 N THR A 18 -8.977 -4.408 1.773 1.00 0.00 N ATOM 214 CA THR A 18 -8.982 -4.541 3.219 1.00 0.00 C ATOM 215 C THR A 18 -7.830 -3.744 3.833 1.00 0.00 C ATOM 216 O THR A 18 -8.035 -2.958 4.757 1.00 0.00 O ATOM 217 CB THR A 18 -8.935 -6.033 3.556 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.306 -6.414 3.640 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.389 -6.299 4.961 1.00 0.00 C ATOM 0 H THR A 18 -9.072 -5.287 1.264 1.00 0.00 H new ATOM 0 HA THR A 18 -9.891 -4.123 3.651 1.00 0.00 H new ATOM 0 HB THR A 18 -8.318 -6.551 2.822 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.368 -7.368 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.377 -7.373 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.375 -5.906 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.025 -5.809 5.698 1.00 0.00 H new ATOM 227 N ALA A 19 -6.641 -3.971 3.294 1.00 0.00 N ATOM 228 CA ALA A 19 -5.456 -3.284 3.776 1.00 0.00 C ATOM 229 C ALA A 19 -5.633 -1.776 3.584 1.00 0.00 C ATOM 230 O ALA A 19 -5.279 -0.989 4.461 1.00 0.00 O ATOM 231 CB ALA A 19 -4.221 -3.822 3.049 1.00 0.00 C ATOM 0 H ALA A 19 -6.473 -4.622 2.527 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.313 -3.468 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.332 -3.306 3.411 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.123 -4.891 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.327 -3.653 1.977 1.00 0.00 H new ATOM 237 N GLN A 20 -6.182 -1.418 2.433 1.00 0.00 N ATOM 238 CA GLN A 20 -6.410 -0.019 2.115 1.00 0.00 C ATOM 239 C GLN A 20 -7.347 0.613 3.146 1.00 0.00 C ATOM 240 O GLN A 20 -6.977 1.575 3.819 1.00 0.00 O ATOM 241 CB GLN A 20 -6.968 0.138 0.699 1.00 0.00 C ATOM 242 CG GLN A 20 -6.265 -0.809 -0.276 1.00 0.00 C ATOM 243 CD GLN A 20 -7.050 -0.933 -1.583 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.160 -1.995 -2.172 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.589 0.209 -2.000 1.00 0.00 N ATOM 0 H GLN A 20 -6.476 -2.073 1.709 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.454 0.503 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.039 -0.066 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.841 1.168 0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.260 -0.441 -0.485 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.156 -1.792 0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.458 1.063 -1.458 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.134 0.231 -2.862 1.00 0.00 H new ATOM 254 N ALA A 21 -8.541 0.047 3.240 1.00 0.00 N ATOM 255 CA ALA A 21 -9.533 0.542 4.179 1.00 0.00 C ATOM 256 C ALA A 21 -8.830 1.032 5.447 1.00 0.00 C ATOM 257 O ALA A 21 -9.216 2.048 6.022 1.00 0.00 O ATOM 258 CB ALA A 21 -10.558 -0.557 4.468 1.00 0.00 C ATOM 0 H ALA A 21 -8.844 -0.750 2.681 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.074 1.388 3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.302 -0.185 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.051 -0.848 3.540 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.053 -1.422 4.897 1.00 0.00 H new ATOM 264 N ALA A 22 -7.810 0.286 5.844 1.00 0.00 N ATOM 265 CA ALA A 22 -7.050 0.631 7.034 1.00 0.00 C ATOM 266 C ALA A 22 -6.248 1.907 6.769 1.00 0.00 C ATOM 267 O ALA A 22 -6.389 2.894 7.488 1.00 0.00 O ATOM 268 CB ALA A 22 -6.157 -0.548 7.428 1.00 0.00 C ATOM 0 H ALA A 22 -7.492 -0.556 5.363 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.718 0.829 7.873 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.587 -0.290 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.777 -1.421 7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.471 -0.774 6.612 1.00 0.00 H new ATOM 274 N GLY A 23 -5.423 1.844 5.734 1.00 0.00 N ATOM 275 CA GLY A 23 -4.598 2.982 5.365 1.00 0.00 C ATOM 276 C GLY A 23 -5.456 4.227 5.126 1.00 0.00 C ATOM 277 O GLY A 23 -5.151 5.303 5.638 1.00 0.00 O ATOM 0 H GLY A 23 -5.308 1.023 5.140 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.873 3.181 6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.031 2.748 4.464 1.00 0.00 H new ATOM 281 N TYR A 24 -6.512 4.037 4.349 1.00 0.00 N ATOM 282 CA TYR A 24 -7.416 5.132 4.036 1.00 0.00 C ATOM 283 C TYR A 24 -7.921 5.808 5.313 1.00 0.00 C ATOM 284 O TYR A 24 -7.595 6.966 5.576 1.00 0.00 O ATOM 285 CB TYR A 24 -8.604 4.502 3.305 1.00 0.00 C ATOM 286 CG TYR A 24 -9.320 5.454 2.345 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.708 5.834 1.167 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.577 5.931 2.656 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.382 6.730 0.264 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.251 6.826 1.751 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.620 7.181 0.600 1.00 0.00 C ATOM 292 OH TYR A 24 -11.256 8.027 -0.254 1.00 0.00 O ATOM 0 H TYR A 24 -6.762 3.143 3.927 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.909 5.889 3.437 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.255 3.634 2.746 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.320 4.139 4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.725 5.459 0.923 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.055 5.633 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.915 7.037 -0.660 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.235 7.207 1.981 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.958 8.945 -0.087 1.00 0.00 H new ATOM 302 N LYS A 25 -8.706 5.059 6.072 1.00 0.00 N ATOM 303 CA LYS A 25 -9.257 5.572 7.314 1.00 0.00 C ATOM 304 C LYS A 25 -8.182 6.372 8.052 1.00 0.00 C ATOM 305 O LYS A 25 -8.309 7.583 8.219 1.00 0.00 O ATOM 306 CB LYS A 25 -9.857 4.436 8.144 1.00 0.00 C ATOM 307 CG LYS A 25 -10.548 4.977 9.398 1.00 0.00 C ATOM 308 CD LYS A 25 -11.835 5.722 9.036 1.00 0.00 C ATOM 309 CE LYS A 25 -12.686 5.983 10.280 1.00 0.00 C ATOM 310 NZ LYS A 25 -11.963 6.864 11.225 1.00 0.00 N ATOM 0 H LYS A 25 -8.974 4.100 5.851 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.081 6.256 7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.575 3.880 7.541 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.072 3.736 8.431 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.778 4.154 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.873 5.647 9.929 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.588 6.668 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.407 5.138 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.630 6.445 9.992 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.929 5.039 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.628 7.547 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.539 6.289 11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.213 7.376 10.718 1.00 0.00 H new ATOM 324 N LEU A 26 -7.148 5.660 8.477 1.00 0.00 N ATOM 325 CA LEU A 26 -6.051 6.289 9.194 1.00 0.00 C ATOM 326 C LEU A 26 -5.482 7.430 8.349 1.00 0.00 C ATOM 327 O LEU A 26 -4.955 8.402 8.886 1.00 0.00 O ATOM 328 CB LEU A 26 -5.009 5.244 9.599 1.00 0.00 C ATOM 329 CG LEU A 26 -3.665 5.792 10.084 1.00 0.00 C ATOM 330 CD1 LEU A 26 -3.781 6.356 11.502 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.569 4.729 9.979 1.00 0.00 C ATOM 0 H LEU A 26 -7.047 4.654 8.339 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.407 6.730 10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.433 4.624 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.826 4.592 8.745 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.378 6.617 9.432 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.812 6.739 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.512 7.164 11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.102 5.567 12.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.624 5.144 10.330 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.837 3.868 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.464 4.416 8.940 1.00 0.00 H new ATOM 343 N HIS A 27 -5.608 7.273 7.038 1.00 0.00 N ATOM 344 CA HIS A 27 -5.112 8.278 6.114 1.00 0.00 C ATOM 345 C HIS A 27 -6.025 9.505 6.153 1.00 0.00 C ATOM 346 O HIS A 27 -5.555 10.626 6.346 1.00 0.00 O ATOM 347 CB HIS A 27 -4.963 7.695 4.707 1.00 0.00 C ATOM 348 CG HIS A 27 -4.226 8.595 3.744 1.00 0.00 C ATOM 349 ND1 HIS A 27 -2.871 8.859 3.852 1.00 0.00 N ATOM 350 CD2 HIS A 27 -4.668 9.289 2.656 1.00 0.00 C ATOM 351 CE1 HIS A 27 -2.525 9.676 2.868 1.00 0.00 C ATOM 352 NE2 HIS A 27 -3.639 9.941 2.128 1.00 0.00 N ATOM 0 H HIS A 27 -6.046 6.465 6.595 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.116 8.599 6.419 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.437 6.743 4.773 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.954 7.484 4.305 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.683 9.305 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.534 10.064 2.684 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -3.676 10.541 1.304 1.00 0.00 H new ATOM 361 N GLU A 28 -7.311 9.253 5.966 1.00 0.00 N ATOM 362 CA GLU A 28 -8.294 10.323 5.978 1.00 0.00 C ATOM 363 C GLU A 28 -8.201 11.114 7.284 1.00 0.00 C ATOM 364 O GLU A 28 -8.559 12.291 7.328 1.00 0.00 O ATOM 365 CB GLU A 28 -9.707 9.774 5.768 1.00 0.00 C ATOM 366 CG GLU A 28 -9.670 8.280 5.438 1.00 0.00 C ATOM 367 CD GLU A 28 -11.076 7.747 5.154 1.00 0.00 C ATOM 368 OE1 GLU A 28 -11.500 7.859 3.984 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.695 7.239 6.114 1.00 0.00 O ATOM 0 H GLU A 28 -7.696 8.322 5.805 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.077 10.998 5.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.302 9.937 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.196 10.317 4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.031 8.111 4.571 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.230 7.731 6.270 1.00 0.00 H new ATOM 376 N ASP A 29 -7.721 10.436 8.316 1.00 0.00 N ATOM 377 CA ASP A 29 -7.577 11.062 9.619 1.00 0.00 C ATOM 378 C ASP A 29 -6.260 11.839 9.665 1.00 0.00 C ATOM 379 O ASP A 29 -6.040 12.641 10.571 1.00 0.00 O ATOM 380 CB ASP A 29 -7.545 10.012 10.733 1.00 0.00 C ATOM 381 CG ASP A 29 -8.890 9.348 11.034 1.00 0.00 C ATOM 382 OD1 ASP A 29 -9.441 8.734 10.095 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.335 9.470 12.196 1.00 0.00 O ATOM 0 H ASP A 29 -7.427 9.460 8.276 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.429 11.725 9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.827 9.238 10.462 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.177 10.482 11.645 1.00 0.00 H new ATOM 388 N GLY A 30 -5.419 11.576 8.676 1.00 0.00 N ATOM 389 CA GLY A 30 -4.129 12.240 8.592 1.00 0.00 C ATOM 390 C GLY A 30 -3.174 11.720 9.666 1.00 0.00 C ATOM 391 O GLY A 30 -2.205 12.392 10.018 1.00 0.00 O ATOM 0 H GLY A 30 -5.606 10.911 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.696 12.077 7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.261 13.316 8.708 1.00 0.00 H new ATOM 395 N GLU A 31 -3.478 10.528 10.157 1.00 0.00 N ATOM 396 CA GLU A 31 -2.657 9.909 11.185 1.00 0.00 C ATOM 397 C GLU A 31 -1.838 8.762 10.591 1.00 0.00 C ATOM 398 O GLU A 31 -2.068 8.354 9.453 1.00 0.00 O ATOM 399 CB GLU A 31 -3.516 9.423 12.353 1.00 0.00 C ATOM 400 CG GLU A 31 -4.102 10.602 13.132 1.00 0.00 C ATOM 401 CD GLU A 31 -3.022 11.310 13.952 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.137 10.592 14.464 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.106 12.553 14.047 1.00 0.00 O ATOM 0 H GLU A 31 -4.282 9.974 9.862 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.967 10.659 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.323 8.794 11.978 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.914 8.806 13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.559 11.309 12.439 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.892 10.248 13.794 1.00 0.00 H new ATOM 410 N THR A 32 -0.898 8.274 11.387 1.00 0.00 N ATOM 411 CA THR A 32 -0.044 7.181 10.953 1.00 0.00 C ATOM 412 C THR A 32 0.017 6.094 12.028 1.00 0.00 C ATOM 413 O THR A 32 -0.241 6.360 13.200 1.00 0.00 O ATOM 414 CB THR A 32 1.326 7.764 10.599 1.00 0.00 C ATOM 415 OG1 THR A 32 1.449 8.902 11.449 1.00 0.00 O ATOM 416 CG2 THR A 32 1.367 8.347 9.186 1.00 0.00 C ATOM 0 H THR A 32 -0.709 8.615 12.330 1.00 0.00 H new ATOM 0 HA THR A 32 -0.445 6.693 10.064 1.00 0.00 H new ATOM 0 HB THR A 32 2.086 6.988 10.693 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.311 9.340 11.287 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.361 8.747 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.139 7.564 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.630 9.146 9.101 1.00 0.00 H new ATOM 424 N VAL A 33 0.361 4.892 11.589 1.00 0.00 N ATOM 425 CA VAL A 33 0.459 3.763 12.499 1.00 0.00 C ATOM 426 C VAL A 33 1.706 3.923 13.370 1.00 0.00 C ATOM 427 O VAL A 33 2.818 4.033 12.856 1.00 0.00 O ATOM 428 CB VAL A 33 0.446 2.452 11.710 1.00 0.00 C ATOM 429 CG1 VAL A 33 -0.986 1.969 11.474 1.00 0.00 C ATOM 430 CG2 VAL A 33 1.200 2.601 10.386 1.00 0.00 C ATOM 0 H VAL A 33 0.575 4.675 10.616 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.403 3.734 13.166 1.00 0.00 H new ATOM 0 HB VAL A 33 0.960 1.697 12.305 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.967 1.036 10.911 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.477 1.805 12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.536 2.722 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.176 1.655 9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.727 3.376 9.783 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.235 2.878 10.586 1.00 0.00 H new ATOM 440 N GLY A 34 1.480 3.932 14.676 1.00 0.00 N ATOM 441 CA GLY A 34 2.572 4.077 15.624 1.00 0.00 C ATOM 442 C GLY A 34 3.738 3.155 15.262 1.00 0.00 C ATOM 443 O GLY A 34 3.673 1.948 15.490 1.00 0.00 O ATOM 0 H GLY A 34 0.557 3.841 15.100 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.913 5.112 15.636 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.219 3.846 16.629 1.00 0.00 H new ATOM 447 N SER A 35 4.777 3.759 14.706 1.00 0.00 N ATOM 448 CA SER A 35 5.956 3.008 14.311 1.00 0.00 C ATOM 449 C SER A 35 6.594 3.647 13.075 1.00 0.00 C ATOM 450 O SER A 35 7.806 3.565 12.885 1.00 0.00 O ATOM 451 CB SER A 35 5.609 1.545 14.031 1.00 0.00 C ATOM 452 OG SER A 35 5.670 0.747 15.211 1.00 0.00 O ATOM 0 H SER A 35 4.827 4.761 14.519 1.00 0.00 H new ATOM 0 HA SER A 35 6.669 3.033 15.135 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.608 1.485 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.298 1.145 13.287 1.00 0.00 H new ATOM 0 HG SER A 35 4.843 0.859 15.725 1.00 0.00 H new ATOM 458 N ASN A 36 5.749 4.270 12.267 1.00 0.00 N ATOM 459 CA ASN A 36 6.215 4.923 11.056 1.00 0.00 C ATOM 460 C ASN A 36 5.270 6.075 10.706 1.00 0.00 C ATOM 461 O ASN A 36 4.503 6.531 11.552 1.00 0.00 O ATOM 462 CB ASN A 36 6.230 3.949 9.876 1.00 0.00 C ATOM 463 CG ASN A 36 7.654 3.478 9.573 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.592 3.741 10.307 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.762 2.768 8.453 1.00 0.00 N ATOM 0 H ASN A 36 4.744 4.336 12.427 1.00 0.00 H new ATOM 0 HA ASN A 36 7.227 5.286 11.237 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.599 3.089 10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.808 4.433 8.995 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.671 2.408 8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.936 2.584 7.884 1.00 0.00 H new ATOM 472 N SER A 37 5.355 6.509 9.458 1.00 0.00 N ATOM 473 CA SER A 37 4.517 7.598 8.985 1.00 0.00 C ATOM 474 C SER A 37 3.520 7.078 7.948 1.00 0.00 C ATOM 475 O SER A 37 3.191 7.780 6.992 1.00 0.00 O ATOM 476 CB SER A 37 5.363 8.726 8.390 1.00 0.00 C ATOM 477 OG SER A 37 6.309 8.241 7.442 1.00 0.00 O ATOM 0 H SER A 37 5.992 6.126 8.759 1.00 0.00 H new ATOM 0 HA SER A 37 3.969 8.002 9.836 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.710 9.454 7.910 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.887 9.247 9.191 1.00 0.00 H new ATOM 0 HG SER A 37 6.828 8.992 7.084 1.00 0.00 H new ATOM 483 N TYR A 38 3.067 5.854 8.170 1.00 0.00 N ATOM 484 CA TYR A 38 2.113 5.233 7.267 1.00 0.00 C ATOM 485 C TYR A 38 0.685 5.372 7.796 1.00 0.00 C ATOM 486 O TYR A 38 0.460 5.328 9.005 1.00 0.00 O ATOM 487 CB TYR A 38 2.484 3.749 7.218 1.00 0.00 C ATOM 488 CG TYR A 38 3.877 3.474 6.648 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.931 4.305 6.971 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.079 2.397 5.809 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.243 4.046 6.435 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.391 2.138 5.273 1.00 0.00 C ATOM 493 CZ TYR A 38 6.407 2.976 5.612 1.00 0.00 C ATOM 494 OH TYR A 38 7.645 2.731 5.105 1.00 0.00 O ATOM 0 H TYR A 38 3.343 5.275 8.963 1.00 0.00 H new ATOM 0 HA TYR A 38 2.150 5.706 6.286 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.427 3.337 8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.745 3.220 6.616 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.772 5.149 7.625 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.254 1.749 5.554 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.077 4.687 6.681 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.564 1.298 4.617 1.00 0.00 H new ATOM 0 HH TYR A 38 7.613 1.935 4.535 1.00 0.00 H new ATOM 504 N PRO A 39 -0.268 5.540 6.841 1.00 0.00 N ATOM 505 CA PRO A 39 0.083 5.581 5.432 1.00 0.00 C ATOM 506 C PRO A 39 0.735 6.916 5.068 1.00 0.00 C ATOM 507 O PRO A 39 1.077 7.705 5.947 1.00 0.00 O ATOM 508 CB PRO A 39 -1.223 5.336 4.694 1.00 0.00 C ATOM 509 CG PRO A 39 -2.328 5.630 5.694 1.00 0.00 C ATOM 510 CD PRO A 39 -1.701 5.698 7.077 1.00 0.00 C ATOM 0 HA PRO A 39 0.825 4.830 5.161 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.305 5.982 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.283 4.308 4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.821 6.572 5.452 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.091 4.852 5.659 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.920 6.648 7.565 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.085 4.910 7.725 1.00 0.00 H new ATOM 518 N HIS A 40 0.886 7.130 3.769 1.00 0.00 N ATOM 519 CA HIS A 40 1.491 8.356 3.277 1.00 0.00 C ATOM 520 C HIS A 40 1.559 8.318 1.749 1.00 0.00 C ATOM 521 O HIS A 40 1.388 7.261 1.143 1.00 0.00 O ATOM 522 CB HIS A 40 2.856 8.587 3.926 1.00 0.00 C ATOM 523 CG HIS A 40 3.919 7.608 3.486 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.512 7.657 2.236 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.490 6.557 4.142 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.395 6.674 2.154 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.381 5.994 3.336 1.00 0.00 N ATOM 0 H HIS A 40 0.600 6.474 3.042 1.00 0.00 H new ATOM 0 HA HIS A 40 0.872 9.209 3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.190 9.598 3.695 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.747 8.527 5.009 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.304 8.335 1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.256 6.237 5.147 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.017 6.450 1.300 1.00 0.00 H new ATOM 536 N LYS A 41 1.809 9.483 1.170 1.00 0.00 N ATOM 537 CA LYS A 41 1.903 9.596 -0.275 1.00 0.00 C ATOM 538 C LYS A 41 2.835 8.507 -0.809 1.00 0.00 C ATOM 539 O LYS A 41 3.528 7.845 -0.037 1.00 0.00 O ATOM 540 CB LYS A 41 2.320 11.013 -0.677 1.00 0.00 C ATOM 541 CG LYS A 41 1.871 11.332 -2.104 1.00 0.00 C ATOM 542 CD LYS A 41 1.194 12.703 -2.171 1.00 0.00 C ATOM 543 CE LYS A 41 2.230 13.827 -2.180 1.00 0.00 C ATOM 544 NZ LYS A 41 2.370 14.415 -0.829 1.00 0.00 N ATOM 0 H LYS A 41 1.949 10.357 1.676 1.00 0.00 H new ATOM 0 HA LYS A 41 0.927 9.434 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.885 11.734 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.403 11.113 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.732 11.314 -2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.181 10.564 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.578 12.765 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.527 12.825 -1.317 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.192 13.440 -2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.932 14.599 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.014 15.231 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.438 14.726 -0.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.757 13.702 -0.178 1.00 0.00 H new ATOM 558 N TYR A 42 2.823 8.353 -2.125 1.00 0.00 N ATOM 559 CA TYR A 42 3.659 7.355 -2.770 1.00 0.00 C ATOM 560 C TYR A 42 3.962 7.748 -4.218 1.00 0.00 C ATOM 561 O TYR A 42 4.436 6.926 -5.001 1.00 0.00 O ATOM 562 CB TYR A 42 2.847 6.059 -2.765 1.00 0.00 C ATOM 563 CG TYR A 42 3.424 4.961 -3.661 1.00 0.00 C ATOM 564 CD1 TYR A 42 3.117 4.933 -5.006 1.00 0.00 C ATOM 565 CD2 TYR A 42 4.252 3.996 -3.123 1.00 0.00 C ATOM 566 CE1 TYR A 42 3.660 3.900 -5.849 1.00 0.00 C ATOM 567 CE2 TYR A 42 4.796 2.962 -3.965 1.00 0.00 C ATOM 568 CZ TYR A 42 4.473 2.965 -5.286 1.00 0.00 C ATOM 569 OH TYR A 42 4.985 1.988 -6.082 1.00 0.00 O ATOM 0 H TYR A 42 2.247 8.903 -2.762 1.00 0.00 H new ATOM 0 HA TYR A 42 4.610 7.254 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.785 5.685 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.829 6.279 -3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.468 5.687 -5.427 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.492 4.017 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.428 3.868 -6.903 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.445 2.202 -3.557 1.00 0.00 H new ATOM 0 HH TYR A 42 5.632 2.380 -6.706 1.00 0.00 H new ATOM 579 N ASN A 43 3.679 9.004 -4.528 1.00 0.00 N ATOM 580 CA ASN A 43 3.916 9.515 -5.867 1.00 0.00 C ATOM 581 C ASN A 43 4.734 8.495 -6.661 1.00 0.00 C ATOM 582 O ASN A 43 5.962 8.563 -6.688 1.00 0.00 O ATOM 583 CB ASN A 43 4.708 10.824 -5.826 1.00 0.00 C ATOM 584 CG ASN A 43 3.776 12.032 -5.939 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.682 12.749 -4.823 1.00 0.00 O flip ATOM 586 ND2 ASN A 43 3.181 12.296 -6.971 1.00 0.00 N flip ATOM 0 H ASN A 43 3.288 9.683 -3.875 1.00 0.00 H new ATOM 0 HA ASN A 43 2.948 9.693 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.274 10.882 -4.896 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.432 10.841 -6.641 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.298 11.703 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.567 13.109 -7.012 1.00 0.00 H new ATOM 593 N ASN A 44 4.020 7.571 -7.287 1.00 0.00 N ATOM 594 CA ASN A 44 4.664 6.537 -8.080 1.00 0.00 C ATOM 595 C ASN A 44 5.707 7.178 -8.998 1.00 0.00 C ATOM 596 O ASN A 44 5.745 8.399 -9.140 1.00 0.00 O ATOM 597 CB ASN A 44 3.648 5.804 -8.958 1.00 0.00 C ATOM 598 CG ASN A 44 3.372 6.584 -10.246 1.00 0.00 C ATOM 599 OD1 ASN A 44 4.200 6.290 -11.244 1.00 0.00 O flip ATOM 600 ND2 ASN A 44 2.468 7.397 -10.327 1.00 0.00 N flip ATOM 0 H ASN A 44 3.002 7.517 -7.261 1.00 0.00 H new ATOM 0 HA ASN A 44 5.128 5.827 -7.395 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.024 4.811 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.718 5.665 -8.406 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.868 7.575 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.311 7.900 -11.201 1.00 0.00 H new ATOM 607 N TYR A 45 6.526 6.326 -9.595 1.00 0.00 N ATOM 608 CA TYR A 45 7.566 6.795 -10.494 1.00 0.00 C ATOM 609 C TYR A 45 8.396 5.625 -11.030 1.00 0.00 C ATOM 610 O TYR A 45 8.701 5.570 -12.220 1.00 0.00 O ATOM 611 CB TYR A 45 8.469 7.705 -9.659 1.00 0.00 C ATOM 612 CG TYR A 45 8.174 9.196 -9.824 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.123 9.608 -10.618 1.00 0.00 C ATOM 614 CD2 TYR A 45 8.959 10.131 -9.180 1.00 0.00 C ATOM 615 CE1 TYR A 45 6.845 11.012 -10.774 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.682 11.534 -9.337 1.00 0.00 C ATOM 617 CZ TYR A 45 7.638 11.906 -10.126 1.00 0.00 C ATOM 618 OH TYR A 45 7.376 13.233 -10.273 1.00 0.00 O ATOM 0 H TYR A 45 6.491 5.314 -9.474 1.00 0.00 H new ATOM 0 HA TYR A 45 7.129 7.311 -11.349 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.363 7.439 -8.607 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.508 7.518 -9.932 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.509 8.877 -11.123 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.781 9.809 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.025 11.347 -11.392 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.289 12.276 -8.839 1.00 0.00 H new ATOM 0 HH TYR A 45 8.022 13.754 -9.752 1.00 0.00 H new ATOM 628 N GLU A 46 8.738 4.721 -10.124 1.00 0.00 N ATOM 629 CA GLU A 46 9.526 3.556 -10.490 1.00 0.00 C ATOM 630 C GLU A 46 8.973 2.922 -11.767 1.00 0.00 C ATOM 631 O GLU A 46 9.676 2.176 -12.449 1.00 0.00 O ATOM 632 CB GLU A 46 9.569 2.541 -9.346 1.00 0.00 C ATOM 633 CG GLU A 46 10.222 3.145 -8.101 1.00 0.00 C ATOM 634 CD GLU A 46 11.162 4.292 -8.477 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.349 3.994 -8.725 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.670 5.441 -8.507 1.00 0.00 O ATOM 0 H GLU A 46 8.484 4.772 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 46 10.549 3.879 -10.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.557 2.213 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.124 1.657 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.451 3.510 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.778 2.374 -7.567 1.00 0.00 H new ATOM 643 N GLY A 47 7.719 3.240 -12.053 1.00 0.00 N ATOM 644 CA GLY A 47 7.064 2.709 -13.236 1.00 0.00 C ATOM 645 C GLY A 47 5.881 1.818 -12.855 1.00 0.00 C ATOM 646 O GLY A 47 5.818 0.657 -13.257 1.00 0.00 O ATOM 0 H GLY A 47 7.139 3.859 -11.486 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.718 3.530 -13.864 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.780 2.137 -13.826 1.00 0.00 H new ATOM 650 N PHE A 48 4.971 2.396 -12.083 1.00 0.00 N ATOM 651 CA PHE A 48 3.792 1.668 -11.643 1.00 0.00 C ATOM 652 C PHE A 48 2.570 2.044 -12.483 1.00 0.00 C ATOM 653 O PHE A 48 2.312 3.224 -12.715 1.00 0.00 O ATOM 654 CB PHE A 48 3.539 2.067 -10.188 1.00 0.00 C ATOM 655 CG PHE A 48 4.568 1.510 -9.202 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.435 0.244 -8.723 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.614 2.281 -8.804 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.390 -0.274 -7.807 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.570 1.763 -7.888 1.00 0.00 C ATOM 660 CZ PHE A 48 6.437 0.498 -7.410 1.00 0.00 C ATOM 0 H PHE A 48 5.026 3.359 -11.751 1.00 0.00 H new ATOM 0 HA PHE A 48 3.955 0.595 -11.749 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.534 3.155 -10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.547 1.723 -9.895 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.603 -0.368 -9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.719 3.287 -9.183 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.285 -1.279 -7.427 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.402 2.375 -7.572 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.163 0.105 -6.714 1.00 0.00 H new ATOM 670 N ASP A 49 1.850 1.019 -12.915 1.00 0.00 N ATOM 671 CA ASP A 49 0.663 1.226 -13.724 1.00 0.00 C ATOM 672 C ASP A 49 -0.564 1.300 -12.811 1.00 0.00 C ATOM 673 O ASP A 49 -1.383 0.383 -12.792 1.00 0.00 O ATOM 674 CB ASP A 49 0.453 0.071 -14.703 1.00 0.00 C ATOM 675 CG ASP A 49 1.735 -0.632 -15.157 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.324 -0.153 -16.151 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.097 -1.632 -14.501 1.00 0.00 O ATOM 0 H ASP A 49 2.067 0.042 -12.719 1.00 0.00 H new ATOM 0 HA ASP A 49 0.795 2.152 -14.283 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.202 -0.665 -14.238 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.067 0.450 -15.583 1.00 0.00 H new ATOM 682 N PHE A 50 -0.651 2.400 -12.079 1.00 0.00 N ATOM 683 CA PHE A 50 -1.764 2.606 -11.166 1.00 0.00 C ATOM 684 C PHE A 50 -3.011 3.074 -11.920 1.00 0.00 C ATOM 685 O PHE A 50 -3.094 4.230 -12.332 1.00 0.00 O ATOM 686 CB PHE A 50 -1.338 3.697 -10.181 1.00 0.00 C ATOM 687 CG PHE A 50 -0.283 3.245 -9.169 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.153 1.956 -9.172 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.217 4.130 -8.268 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.132 1.536 -8.234 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.197 3.711 -7.329 1.00 0.00 C ATOM 692 CZ PHE A 50 1.633 2.422 -7.332 1.00 0.00 C ATOM 0 H PHE A 50 0.030 3.159 -12.099 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.008 1.673 -10.659 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.948 4.546 -10.742 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.217 4.048 -9.641 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.246 1.253 -9.888 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.131 5.153 -8.266 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.479 0.513 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.596 4.415 -6.613 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.377 2.102 -6.618 1.00 0.00 H new ATOM 702 N SER A 51 -3.949 2.152 -12.076 1.00 0.00 N ATOM 703 CA SER A 51 -5.189 2.455 -12.771 1.00 0.00 C ATOM 704 C SER A 51 -6.103 3.288 -11.872 1.00 0.00 C ATOM 705 O SER A 51 -7.324 3.250 -12.018 1.00 0.00 O ATOM 706 CB SER A 51 -5.900 1.174 -13.212 1.00 0.00 C ATOM 707 OG SER A 51 -6.272 0.360 -12.103 1.00 0.00 O ATOM 0 H SER A 51 -3.876 1.194 -11.733 1.00 0.00 H new ATOM 0 HA SER A 51 -4.948 3.031 -13.665 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.790 1.433 -13.786 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.247 0.607 -13.875 1.00 0.00 H new ATOM 0 HG SER A 51 -6.724 -0.447 -12.427 1.00 0.00 H new ATOM 713 N VAL A 52 -5.479 4.020 -10.962 1.00 0.00 N ATOM 714 CA VAL A 52 -6.221 4.861 -10.039 1.00 0.00 C ATOM 715 C VAL A 52 -5.720 6.303 -10.152 1.00 0.00 C ATOM 716 O VAL A 52 -4.631 6.546 -10.669 1.00 0.00 O ATOM 717 CB VAL A 52 -6.114 4.301 -8.619 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.557 2.837 -8.573 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.695 4.463 -8.071 1.00 0.00 C ATOM 0 H VAL A 52 -4.466 4.048 -10.844 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.281 4.864 -10.294 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.786 4.874 -7.981 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.471 2.463 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.593 2.760 -8.902 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.922 2.244 -9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.647 4.057 -7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.994 3.927 -8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.432 5.520 -8.050 1.00 0.00 H new ATOM 729 N SER A 53 -6.539 7.220 -9.660 1.00 0.00 N ATOM 730 CA SER A 53 -6.193 8.631 -9.701 1.00 0.00 C ATOM 731 C SER A 53 -5.399 9.010 -8.449 1.00 0.00 C ATOM 732 O SER A 53 -5.540 8.376 -7.404 1.00 0.00 O ATOM 733 CB SER A 53 -7.445 9.502 -9.818 1.00 0.00 C ATOM 734 OG SER A 53 -8.117 9.306 -11.059 1.00 0.00 O ATOM 0 H SER A 53 -7.441 7.014 -9.231 1.00 0.00 H new ATOM 0 HA SER A 53 -5.577 8.807 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.125 9.272 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.167 10.551 -9.718 1.00 0.00 H new ATOM 0 HG SER A 53 -8.912 9.878 -11.095 1.00 0.00 H new ATOM 740 N SER A 54 -4.580 10.041 -8.597 1.00 0.00 N ATOM 741 CA SER A 54 -3.763 10.512 -7.493 1.00 0.00 C ATOM 742 C SER A 54 -4.578 11.450 -6.599 1.00 0.00 C ATOM 743 O SER A 54 -5.695 11.829 -6.949 1.00 0.00 O ATOM 744 CB SER A 54 -2.506 11.223 -8.000 1.00 0.00 C ATOM 745 OG SER A 54 -2.695 12.631 -8.104 1.00 0.00 O ATOM 0 H SER A 54 -4.465 10.563 -9.466 1.00 0.00 H new ATOM 0 HA SER A 54 -3.448 9.647 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.676 11.018 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.230 10.821 -8.975 1.00 0.00 H new ATOM 0 HG SER A 54 -1.870 13.049 -8.429 1.00 0.00 H new ATOM 751 N PRO A 55 -3.974 11.805 -5.435 1.00 0.00 N ATOM 752 CA PRO A 55 -2.649 11.311 -5.097 1.00 0.00 C ATOM 753 C PRO A 55 -2.706 9.845 -4.662 1.00 0.00 C ATOM 754 O PRO A 55 -3.763 9.349 -4.272 1.00 0.00 O ATOM 755 CB PRO A 55 -2.150 12.238 -4.001 1.00 0.00 C ATOM 756 CG PRO A 55 -3.386 12.925 -3.442 1.00 0.00 C ATOM 757 CD PRO A 55 -4.532 12.684 -4.411 1.00 0.00 C ATOM 0 HA PRO A 55 -1.967 11.320 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.629 11.679 -3.224 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.443 12.967 -4.398 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.630 12.529 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.207 13.993 -3.321 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.382 12.220 -3.911 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.888 13.619 -4.843 1.00 0.00 H new ATOM 765 N TYR A 56 -1.556 9.192 -4.741 1.00 0.00 N ATOM 766 CA TYR A 56 -1.461 7.794 -4.359 1.00 0.00 C ATOM 767 C TYR A 56 -0.937 7.650 -2.929 1.00 0.00 C ATOM 768 O TYR A 56 0.041 8.297 -2.554 1.00 0.00 O ATOM 769 CB TYR A 56 -0.457 7.161 -5.324 1.00 0.00 C ATOM 770 CG TYR A 56 -0.880 7.224 -6.794 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.199 7.018 -7.141 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.058 7.490 -7.770 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.597 7.078 -8.524 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.341 7.551 -9.152 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.648 7.341 -9.461 1.00 0.00 C ATOM 776 OH TYR A 56 -2.024 7.400 -10.767 1.00 0.00 O ATOM 0 H TYR A 56 -0.682 9.606 -5.064 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.440 7.317 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.505 7.662 -5.212 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.308 6.118 -5.044 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.933 6.812 -6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.090 7.652 -7.498 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.626 6.918 -8.810 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.382 7.759 -9.926 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.945 7.077 -10.857 1.00 0.00 H new ATOM 786 N TYR A 57 -1.608 6.798 -2.169 1.00 0.00 N ATOM 787 CA TYR A 57 -1.222 6.562 -0.788 1.00 0.00 C ATOM 788 C TYR A 57 -0.705 5.134 -0.601 1.00 0.00 C ATOM 789 O TYR A 57 -1.351 4.175 -1.021 1.00 0.00 O ATOM 790 CB TYR A 57 -2.493 6.743 0.043 1.00 0.00 C ATOM 791 CG TYR A 57 -3.176 8.099 -0.152 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.480 9.145 -0.723 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.486 8.275 0.244 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.123 10.421 -0.906 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.128 9.552 0.061 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.414 10.561 -0.505 1.00 0.00 C ATOM 797 OH TYR A 57 -5.020 11.767 -0.678 1.00 0.00 O ATOM 0 H TYR A 57 -2.417 6.262 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.427 7.246 -0.490 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.198 5.952 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.246 6.620 1.098 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.454 9.007 -1.032 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.030 7.456 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.591 11.248 -1.352 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.153 9.704 0.366 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.748 12.376 0.040 1.00 0.00 H new ATOM 807 N GLU A 58 0.456 5.037 0.030 1.00 0.00 N ATOM 808 CA GLU A 58 1.068 3.743 0.279 1.00 0.00 C ATOM 809 C GLU A 58 0.748 3.268 1.697 1.00 0.00 C ATOM 810 O GLU A 58 0.705 4.069 2.629 1.00 0.00 O ATOM 811 CB GLU A 58 2.580 3.797 0.047 1.00 0.00 C ATOM 812 CG GLU A 58 3.262 4.690 1.087 1.00 0.00 C ATOM 813 CD GLU A 58 3.271 4.020 2.462 1.00 0.00 C ATOM 814 OE1 GLU A 58 3.679 2.839 2.515 1.00 0.00 O ATOM 815 OE2 GLU A 58 2.870 4.702 3.429 1.00 0.00 O ATOM 0 H GLU A 58 0.989 5.834 0.377 1.00 0.00 H new ATOM 0 HA GLU A 58 0.651 3.025 -0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.996 2.791 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.785 4.176 -0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.285 4.902 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.742 5.646 1.148 1.00 0.00 H new ATOM 822 N TRP A 59 0.531 1.967 1.816 1.00 0.00 N ATOM 823 CA TRP A 59 0.216 1.375 3.105 1.00 0.00 C ATOM 824 C TRP A 59 0.620 -0.100 3.060 1.00 0.00 C ATOM 825 O TRP A 59 0.575 -0.728 2.003 1.00 0.00 O ATOM 826 CB TRP A 59 -1.260 1.579 3.455 1.00 0.00 C ATOM 827 CG TRP A 59 -1.760 0.682 4.590 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.348 -0.519 4.494 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.691 0.964 6.004 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.663 -1.028 5.738 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.249 -0.098 6.685 1.00 0.00 C ATOM 832 CE3 TRP A 59 -1.173 2.081 6.684 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.344 -0.149 8.081 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.275 2.014 8.079 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.835 0.951 8.780 1.00 0.00 C ATOM 0 H TRP A 59 0.567 1.305 1.040 1.00 0.00 H new ATOM 0 HA TRP A 59 0.776 1.865 3.901 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.416 2.621 3.734 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.863 1.393 2.566 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.550 -1.025 3.561 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.116 -1.922 5.928 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.732 2.923 6.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.786 -0.992 8.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.892 2.846 8.651 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.877 0.975 9.859 1.00 0.00 H new ATOM 846 N PRO A 60 1.017 -0.624 4.251 1.00 0.00 N ATOM 847 CA PRO A 60 1.429 -2.013 4.357 1.00 0.00 C ATOM 848 C PRO A 60 0.220 -2.949 4.309 1.00 0.00 C ATOM 849 O PRO A 60 -0.868 -2.588 4.755 1.00 0.00 O ATOM 850 CB PRO A 60 2.193 -2.098 5.668 1.00 0.00 C ATOM 851 CG PRO A 60 1.786 -0.871 6.468 1.00 0.00 C ATOM 852 CD PRO A 60 1.083 0.090 5.523 1.00 0.00 C ATOM 0 HA PRO A 60 2.057 -2.330 3.524 1.00 0.00 H new ATOM 0 HB2 PRO A 60 1.946 -3.014 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.269 -2.111 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.125 -1.152 7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.661 -0.397 6.912 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.087 0.345 5.886 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.636 1.024 5.425 1.00 0.00 H new ATOM 860 N ILE A 61 0.451 -4.134 3.764 1.00 0.00 N ATOM 861 CA ILE A 61 -0.606 -5.125 3.651 1.00 0.00 C ATOM 862 C ILE A 61 -0.217 -6.371 4.449 1.00 0.00 C ATOM 863 O ILE A 61 0.737 -7.065 4.098 1.00 0.00 O ATOM 864 CB ILE A 61 -0.920 -5.409 2.181 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.169 -6.283 2.046 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.289 -6.023 1.470 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.414 -6.668 0.585 1.00 0.00 C ATOM 0 H ILE A 61 1.355 -4.431 3.396 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.532 -4.745 4.082 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.136 -4.461 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.054 -7.184 2.649 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.035 -5.748 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.039 -6.215 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.130 -5.332 1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.560 -6.960 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.307 -7.289 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.553 -5.766 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.556 -7.224 0.206 1.00 0.00 H new ATOM 879 N LEU A 62 -0.976 -6.619 5.507 1.00 0.00 N ATOM 880 CA LEU A 62 -0.723 -7.770 6.357 1.00 0.00 C ATOM 881 C LEU A 62 -1.384 -9.005 5.744 1.00 0.00 C ATOM 882 O LEU A 62 -2.607 -9.064 5.621 1.00 0.00 O ATOM 883 CB LEU A 62 -1.167 -7.482 7.792 1.00 0.00 C ATOM 884 CG LEU A 62 -0.414 -6.365 8.517 1.00 0.00 C ATOM 885 CD1 LEU A 62 -1.094 -6.015 9.842 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.059 -6.730 8.706 1.00 0.00 C ATOM 0 H LEU A 62 -1.766 -6.042 5.795 1.00 0.00 H new ATOM 0 HA LEU A 62 0.346 -7.976 6.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.227 -7.229 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.065 -8.398 8.373 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.446 -5.471 7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.538 -5.218 10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.114 -5.681 9.651 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.115 -6.896 10.484 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.571 -5.919 9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.135 -7.643 9.297 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.522 -6.889 7.732 1.00 0.00 H new ATOM 898 N SER A 63 -0.546 -9.964 5.377 1.00 0.00 N ATOM 899 CA SER A 63 -1.034 -11.196 4.780 1.00 0.00 C ATOM 900 C SER A 63 -2.080 -11.840 5.691 1.00 0.00 C ATOM 901 O SER A 63 -2.816 -12.730 5.266 1.00 0.00 O ATOM 902 CB SER A 63 0.114 -12.172 4.516 1.00 0.00 C ATOM 903 OG SER A 63 0.784 -12.545 5.717 1.00 0.00 O ATOM 0 H SER A 63 0.467 -9.913 5.482 1.00 0.00 H new ATOM 0 HA SER A 63 -1.496 -10.953 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.274 -13.064 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.827 -11.716 3.830 1.00 0.00 H new ATOM 0 HG SER A 63 1.509 -13.170 5.507 1.00 0.00 H new ATOM 909 N SER A 64 -2.114 -11.367 6.928 1.00 0.00 N ATOM 910 CA SER A 64 -3.057 -11.886 7.903 1.00 0.00 C ATOM 911 C SER A 64 -4.407 -11.183 7.751 1.00 0.00 C ATOM 912 O SER A 64 -5.416 -11.644 8.283 1.00 0.00 O ATOM 913 CB SER A 64 -2.527 -11.715 9.329 1.00 0.00 C ATOM 914 OG SER A 64 -1.768 -12.842 9.755 1.00 0.00 O ATOM 0 H SER A 64 -1.503 -10.629 7.277 1.00 0.00 H new ATOM 0 HA SER A 64 -3.187 -12.952 7.718 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.907 -10.820 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.364 -11.563 10.011 1.00 0.00 H new ATOM 0 HG SER A 64 -1.446 -12.693 10.669 1.00 0.00 H new ATOM 920 N GLY A 65 -4.384 -10.077 7.021 1.00 0.00 N ATOM 921 CA GLY A 65 -5.593 -9.305 6.792 1.00 0.00 C ATOM 922 C GLY A 65 -5.881 -8.374 7.971 1.00 0.00 C ATOM 923 O GLY A 65 -7.040 -8.116 8.295 1.00 0.00 O ATOM 0 H GLY A 65 -3.546 -9.697 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.487 -8.719 5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.436 -9.979 6.642 1.00 0.00 H new ATOM 927 N ASP A 66 -4.807 -7.894 8.580 1.00 0.00 N ATOM 928 CA ASP A 66 -4.930 -6.996 9.716 1.00 0.00 C ATOM 929 C ASP A 66 -4.506 -5.587 9.295 1.00 0.00 C ATOM 930 O ASP A 66 -4.267 -5.333 8.115 1.00 0.00 O ATOM 931 CB ASP A 66 -4.024 -7.438 10.867 1.00 0.00 C ATOM 932 CG ASP A 66 -4.441 -8.741 11.554 1.00 0.00 C ATOM 933 OD1 ASP A 66 -5.643 -8.854 11.875 1.00 0.00 O ATOM 934 OD2 ASP A 66 -3.547 -9.594 11.742 1.00 0.00 O ATOM 0 H ASP A 66 -3.848 -8.110 8.309 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.968 -7.011 10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.009 -7.554 10.487 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.996 -6.644 11.613 1.00 0.00 H new ATOM 939 N VAL A 67 -4.424 -4.709 10.283 1.00 0.00 N ATOM 940 CA VAL A 67 -4.033 -3.332 10.032 1.00 0.00 C ATOM 941 C VAL A 67 -2.692 -3.054 10.714 1.00 0.00 C ATOM 942 O VAL A 67 -2.599 -3.072 11.940 1.00 0.00 O ATOM 943 CB VAL A 67 -5.142 -2.381 10.485 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.628 -0.944 10.578 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.355 -2.471 9.556 1.00 0.00 C ATOM 0 H VAL A 67 -4.622 -4.924 11.260 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.896 -3.164 8.964 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.460 -2.688 11.481 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.436 -0.289 10.902 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.811 -0.896 11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.270 -0.622 9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.129 -1.785 9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.058 -2.203 8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.744 -3.489 9.563 1.00 0.00 H new ATOM 955 N TYR A 68 -1.685 -2.803 9.888 1.00 0.00 N ATOM 956 CA TYR A 68 -0.354 -2.522 10.396 1.00 0.00 C ATOM 957 C TYR A 68 -0.418 -1.634 11.641 1.00 0.00 C ATOM 958 O TYR A 68 -1.450 -1.027 11.921 1.00 0.00 O ATOM 959 CB TYR A 68 0.372 -1.767 9.281 1.00 0.00 C ATOM 960 CG TYR A 68 1.888 -1.685 9.470 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.577 -2.761 9.995 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.567 -0.537 9.115 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.004 -2.683 10.172 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.994 -0.461 9.292 1.00 0.00 C ATOM 965 CZ TYR A 68 4.642 -1.538 9.812 1.00 0.00 C ATOM 966 OH TYR A 68 5.990 -1.465 9.979 1.00 0.00 O ATOM 0 H TYR A 68 -1.766 -2.789 8.871 1.00 0.00 H new ATOM 0 HA TYR A 68 0.154 -3.446 10.674 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.161 -2.254 8.329 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.031 -0.756 9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.046 -3.660 10.272 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.028 0.304 8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.555 -3.516 10.582 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.538 0.431 9.018 1.00 0.00 H new ATOM 0 HH TYR A 68 6.201 -1.446 10.936 1.00 0.00 H new ATOM 976 N SER A 69 0.699 -1.586 12.352 1.00 0.00 N ATOM 977 CA SER A 69 0.783 -0.780 13.559 1.00 0.00 C ATOM 978 C SER A 69 1.787 0.356 13.361 1.00 0.00 C ATOM 979 O SER A 69 1.889 1.251 14.199 1.00 0.00 O ATOM 980 CB SER A 69 1.179 -1.635 14.764 1.00 0.00 C ATOM 981 OG SER A 69 2.575 -1.923 14.779 1.00 0.00 O ATOM 0 H SER A 69 1.553 -2.092 12.116 1.00 0.00 H new ATOM 0 HA SER A 69 -0.201 -0.355 13.756 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.906 -1.115 15.683 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.616 -2.568 14.747 1.00 0.00 H new ATOM 0 HG SER A 69 2.788 -2.469 15.564 1.00 0.00 H new ATOM 987 N GLY A 70 2.504 0.283 12.249 1.00 0.00 N ATOM 988 CA GLY A 70 3.497 1.295 11.932 1.00 0.00 C ATOM 989 C GLY A 70 4.885 0.671 11.776 1.00 0.00 C ATOM 990 O GLY A 70 5.049 -0.538 11.938 1.00 0.00 O ATOM 0 H GLY A 70 2.417 -0.461 11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.219 1.807 11.011 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.519 2.047 12.720 1.00 0.00 H new ATOM 994 N GLY A 71 5.851 1.523 11.464 1.00 0.00 N ATOM 995 CA GLY A 71 7.220 1.070 11.285 1.00 0.00 C ATOM 996 C GLY A 71 7.371 0.285 9.980 1.00 0.00 C ATOM 997 O GLY A 71 6.718 0.596 8.986 1.00 0.00 O ATOM 0 H GLY A 71 5.712 2.525 11.331 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.893 1.928 11.278 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.512 0.443 12.127 1.00 0.00 H new ATOM 1001 N SER A 72 8.237 -0.717 10.027 1.00 0.00 N ATOM 1002 CA SER A 72 8.482 -1.548 8.861 1.00 0.00 C ATOM 1003 C SER A 72 7.515 -2.734 8.852 1.00 0.00 C ATOM 1004 O SER A 72 7.667 -3.670 9.635 1.00 0.00 O ATOM 1005 CB SER A 72 9.930 -2.043 8.832 1.00 0.00 C ATOM 1006 OG SER A 72 10.841 -1.007 8.476 1.00 0.00 O ATOM 0 H SER A 72 8.777 -0.972 10.854 1.00 0.00 H new ATOM 0 HA SER A 72 8.315 -0.944 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.197 -2.440 9.811 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.018 -2.864 8.120 1.00 0.00 H new ATOM 0 HG SER A 72 11.754 -1.362 8.470 1.00 0.00 H new ATOM 1012 N PRO A 73 6.517 -2.655 7.931 1.00 0.00 N ATOM 1013 CA PRO A 73 5.525 -3.710 7.809 1.00 0.00 C ATOM 1014 C PRO A 73 6.115 -4.938 7.113 1.00 0.00 C ATOM 1015 O PRO A 73 5.449 -5.964 6.989 1.00 0.00 O ATOM 1016 CB PRO A 73 4.377 -3.082 7.035 1.00 0.00 C ATOM 1017 CG PRO A 73 4.957 -1.854 6.352 1.00 0.00 C ATOM 1018 CD PRO A 73 6.306 -1.561 6.986 1.00 0.00 C ATOM 0 HA PRO A 73 5.181 -4.079 8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.971 -3.781 6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.560 -2.808 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.068 -2.029 5.282 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.288 -1.001 6.467 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.097 -1.527 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.305 -0.595 7.492 1.00 0.00 H new ATOM 1026 N GLY A 74 7.358 -4.792 6.678 1.00 0.00 N ATOM 1027 CA GLY A 74 8.046 -5.878 5.999 1.00 0.00 C ATOM 1028 C GLY A 74 8.440 -5.471 4.577 1.00 0.00 C ATOM 1029 O GLY A 74 9.421 -4.753 4.384 1.00 0.00 O ATOM 0 H GLY A 74 7.907 -3.939 6.782 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.937 -6.157 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.402 -6.757 5.965 1.00 0.00 H new ATOM 1033 N ALA A 75 7.657 -5.947 3.621 1.00 0.00 N ATOM 1034 CA ALA A 75 7.913 -5.642 2.223 1.00 0.00 C ATOM 1035 C ALA A 75 6.583 -5.403 1.506 1.00 0.00 C ATOM 1036 O ALA A 75 6.460 -4.469 0.715 1.00 0.00 O ATOM 1037 CB ALA A 75 8.720 -6.779 1.592 1.00 0.00 C ATOM 0 H ALA A 75 6.845 -6.542 3.786 1.00 0.00 H new ATOM 0 HA ALA A 75 8.505 -4.732 2.131 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.912 -6.551 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.668 -6.889 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.156 -7.709 1.663 1.00 0.00 H new ATOM 1043 N ASP A 76 5.622 -6.263 1.808 1.00 0.00 N ATOM 1044 CA ASP A 76 4.306 -6.157 1.202 1.00 0.00 C ATOM 1045 C ASP A 76 3.679 -4.814 1.585 1.00 0.00 C ATOM 1046 O ASP A 76 3.689 -4.433 2.754 1.00 0.00 O ATOM 1047 CB ASP A 76 3.380 -7.269 1.697 1.00 0.00 C ATOM 1048 CG ASP A 76 4.026 -8.653 1.795 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.854 -8.956 0.909 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.677 -9.375 2.753 1.00 0.00 O ATOM 0 H ASP A 76 5.728 -7.036 2.464 1.00 0.00 H new ATOM 0 HA ASP A 76 4.425 -6.241 0.122 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.998 -6.993 2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.522 -7.332 1.028 1.00 0.00 H new ATOM 1055 N ARG A 77 3.148 -4.136 0.578 1.00 0.00 N ATOM 1056 CA ARG A 77 2.519 -2.844 0.796 1.00 0.00 C ATOM 1057 C ARG A 77 1.457 -2.585 -0.274 1.00 0.00 C ATOM 1058 O ARG A 77 1.603 -3.017 -1.417 1.00 0.00 O ATOM 1059 CB ARG A 77 3.551 -1.716 0.764 1.00 0.00 C ATOM 1060 CG ARG A 77 4.848 -2.139 1.457 1.00 0.00 C ATOM 1061 CD ARG A 77 4.882 -1.643 2.904 1.00 0.00 C ATOM 1062 NE ARG A 77 6.279 -1.604 3.393 1.00 0.00 N ATOM 1063 CZ ARG A 77 6.859 -2.594 4.086 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.167 -3.704 4.376 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.131 -2.472 4.489 1.00 0.00 N ATOM 0 H ARG A 77 3.140 -4.457 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 77 2.051 -2.864 1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.760 -1.439 -0.269 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.144 -0.832 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.937 -3.225 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.703 -1.740 0.912 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.438 -0.650 2.967 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.285 -2.300 3.536 1.00 0.00 H new ATOM 0 HE ARG A 77 6.834 -0.773 3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.199 -3.796 4.069 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.609 -4.457 4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.657 -1.626 4.268 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.573 -3.225 5.016 1.00 0.00 H new ATOM 1079 N VAL A 78 0.410 -1.883 0.134 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.676 -1.561 -0.777 1.00 0.00 C ATOM 1081 C VAL A 78 -0.713 -0.048 -1.005 1.00 0.00 C ATOM 1082 O VAL A 78 -0.602 0.729 -0.058 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.994 -2.116 -0.235 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.070 -3.632 -0.427 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.185 -1.739 1.235 1.00 0.00 C ATOM 0 H VAL A 78 0.290 -1.528 1.083 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.514 -2.032 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.807 -1.665 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.017 -4.002 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.002 -3.868 -1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.246 -4.108 0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.130 -2.146 1.595 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.365 -2.148 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.197 -0.654 1.334 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.871 0.324 -2.266 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.924 1.730 -2.631 1.00 0.00 C ATOM 1097 C VAL A 79 -2.338 2.076 -3.103 1.00 0.00 C ATOM 1098 O VAL A 79 -2.957 1.309 -3.837 1.00 0.00 O ATOM 1099 CB VAL A 79 0.148 2.041 -3.677 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.007 3.472 -4.198 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.550 1.798 -3.114 1.00 0.00 C ATOM 0 H VAL A 79 -0.964 -0.324 -3.049 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.706 2.357 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 79 0.002 1.363 -4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.781 3.667 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.974 3.598 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.113 4.173 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.293 2.027 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.711 2.440 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.646 0.754 -2.815 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.808 3.234 -2.661 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.137 3.692 -3.029 1.00 0.00 C ATOM 1113 C PHE A 80 -4.172 5.215 -3.172 1.00 0.00 C ATOM 1114 O PHE A 80 -3.153 5.838 -3.465 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.082 3.276 -1.900 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.786 3.952 -0.560 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.631 3.674 0.102 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.677 4.832 -0.031 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.356 4.302 1.345 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.402 5.460 1.213 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.247 5.182 1.874 1.00 0.00 C ATOM 0 H PHE A 80 -2.292 3.868 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.429 3.257 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.106 3.507 -2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.024 2.195 -1.771 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.923 2.975 -0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.594 5.054 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.439 4.081 1.871 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.110 6.158 1.634 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.037 5.660 2.819 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.356 5.770 -2.960 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.537 7.208 -3.062 1.00 0.00 C ATOM 1133 C ASN A 81 -6.493 7.676 -1.963 1.00 0.00 C ATOM 1134 O ASN A 81 -6.744 6.949 -1.002 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.145 7.591 -4.412 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.827 6.538 -5.476 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.970 6.716 -6.325 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.566 5.436 -5.383 1.00 0.00 N ATOM 0 H ASN A 81 -6.199 5.250 -2.718 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.560 7.680 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.225 7.697 -4.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.758 8.560 -4.727 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.432 4.674 -6.048 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.267 5.353 -4.647 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.001 8.887 -2.140 1.00 0.00 N ATOM 1146 CA GLU A 82 -7.923 9.461 -1.176 1.00 0.00 C ATOM 1147 C GLU A 82 -9.368 9.171 -1.586 1.00 0.00 C ATOM 1148 O GLU A 82 -10.297 9.816 -1.102 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.689 10.964 -1.020 1.00 0.00 C ATOM 1150 CG GLU A 82 -7.695 11.370 0.455 1.00 0.00 C ATOM 1151 CD GLU A 82 -8.585 12.595 0.683 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -9.576 12.724 -0.068 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -8.254 13.374 1.603 1.00 0.00 O ATOM 0 H GLU A 82 -6.791 9.487 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.740 8.996 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.735 11.236 -1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.463 11.514 -1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.051 10.539 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.678 11.589 0.780 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.514 8.201 -2.477 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.830 7.818 -2.958 1.00 0.00 C ATOM 1162 C ASN A 83 -11.242 6.495 -2.309 1.00 0.00 C ATOM 1163 O ASN A 83 -12.428 6.242 -2.105 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.825 7.619 -4.475 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.397 7.609 -5.022 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.946 6.398 -5.336 1.00 0.00 O flip ATOM 1167 ND2 ASN A 83 -8.748 8.634 -5.152 1.00 0.00 N flip ATOM 0 H ASN A 83 -8.742 7.669 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.528 8.615 -2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.320 6.680 -4.724 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.395 8.416 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -9.155 9.532 -4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.798 8.593 -5.522 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.237 5.686 -2.002 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.480 4.396 -1.379 1.00 0.00 C ATOM 1176 C ASN A 84 -10.155 3.283 -2.379 1.00 0.00 C ATOM 1177 O ASN A 84 -10.608 2.151 -2.222 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.947 4.249 -0.970 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.815 3.864 -2.169 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -12.298 4.208 -3.344 1.00 0.00 O flip ATOM 1181 ND2 ASN A 84 -13.885 3.291 -2.035 1.00 0.00 N flip ATOM 0 H ASN A 84 -9.254 5.899 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.850 4.325 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.037 3.490 -0.193 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.305 5.186 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -14.224 3.056 -1.102 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -14.440 3.048 -2.856 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.370 3.646 -3.383 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.979 2.692 -4.408 1.00 0.00 C ATOM 1190 C GLN A 85 -7.628 2.064 -4.059 1.00 0.00 C ATOM 1191 O GLN A 85 -7.064 2.342 -3.001 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.936 3.356 -5.785 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.339 3.757 -6.245 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.274 4.670 -7.471 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.561 5.943 -7.212 1.00 0.00 O flip ATOM 1196 NE2 GLN A 85 -9.983 4.248 -8.578 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.995 4.586 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.727 1.900 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.296 4.238 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.494 2.672 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.917 2.864 -6.483 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.859 4.267 -5.434 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.774 3.258 -8.708 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.949 4.885 -9.374 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.148 1.229 -4.968 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.873 0.559 -4.771 1.00 0.00 C ATOM 1207 C LEU A 86 -4.983 0.794 -5.992 1.00 0.00 C ATOM 1208 O LEU A 86 -5.395 0.537 -7.123 1.00 0.00 O ATOM 1209 CB LEU A 86 -6.091 -0.920 -4.444 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.503 -1.921 -5.441 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -5.556 -3.345 -4.884 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.195 -1.811 -6.801 1.00 0.00 C ATOM 0 H LEU A 86 -7.619 1.001 -5.844 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.351 0.979 -3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.663 -1.121 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.163 -1.101 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.452 -1.674 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.132 -4.037 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.982 -3.395 -3.959 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.592 -3.619 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.758 -2.533 -7.491 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.259 -2.017 -6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.061 -0.804 -7.197 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.780 1.280 -5.724 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.828 1.552 -6.787 1.00 0.00 C ATOM 1226 C ALA A 87 -2.298 0.229 -7.343 1.00 0.00 C ATOM 1227 O ALA A 87 -2.153 0.074 -8.554 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.710 2.450 -6.254 1.00 0.00 C ATOM 0 H ALA A 87 -3.443 1.493 -4.785 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.311 2.084 -7.607 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.996 2.654 -7.052 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.135 3.389 -5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.201 1.948 -5.431 1.00 0.00 H new ATOM 1234 N GLY A 88 -2.024 -0.692 -6.431 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.513 -1.997 -6.814 1.00 0.00 C ATOM 1236 C GLY A 88 -1.047 -2.786 -5.589 1.00 0.00 C ATOM 1237 O GLY A 88 -1.736 -2.822 -4.571 1.00 0.00 O ATOM 0 H GLY A 88 -2.146 -0.560 -5.427 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.289 -2.556 -7.337 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.683 -1.876 -7.510 1.00 0.00 H new ATOM 1241 N VAL A 89 0.121 -3.397 -5.728 1.00 0.00 N ATOM 1242 CA VAL A 89 0.687 -4.183 -4.645 1.00 0.00 C ATOM 1243 C VAL A 89 2.214 -4.151 -4.741 1.00 0.00 C ATOM 1244 O VAL A 89 2.813 -4.974 -5.431 1.00 0.00 O ATOM 1245 CB VAL A 89 0.115 -5.602 -4.674 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.900 -6.528 -3.742 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.373 -5.602 -4.320 1.00 0.00 C ATOM 0 H VAL A 89 0.690 -3.363 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 89 0.413 -3.757 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 89 0.217 -5.983 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.473 -7.530 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.942 -6.565 -4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.844 -6.149 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.754 -6.623 -4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.509 -5.192 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.918 -4.991 -5.040 1.00 0.00 H new ATOM 1257 N ILE A 90 2.799 -3.191 -4.040 1.00 0.00 N ATOM 1258 CA ILE A 90 4.243 -3.040 -4.039 1.00 0.00 C ATOM 1259 C ILE A 90 4.843 -3.929 -2.947 1.00 0.00 C ATOM 1260 O ILE A 90 4.123 -4.432 -2.085 1.00 0.00 O ATOM 1261 CB ILE A 90 4.628 -1.565 -3.910 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.239 -1.014 -2.537 1.00 0.00 C ATOM 1263 CG2 ILE A 90 4.027 -0.740 -5.050 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.115 0.511 -2.573 1.00 0.00 C ATOM 0 H ILE A 90 2.298 -2.510 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 90 4.661 -3.373 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 90 5.712 -1.487 -3.992 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.292 -1.452 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.987 -1.304 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.316 0.305 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.396 -1.115 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.940 -0.821 -5.024 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.838 0.877 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.070 0.947 -2.866 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.349 0.797 -3.294 1.00 0.00 H new ATOM 1276 N THR A 91 6.156 -4.096 -3.019 1.00 0.00 N ATOM 1277 CA THR A 91 6.860 -4.917 -2.047 1.00 0.00 C ATOM 1278 C THR A 91 8.360 -4.620 -2.087 1.00 0.00 C ATOM 1279 O THR A 91 8.895 -4.244 -3.130 1.00 0.00 O ATOM 1280 CB THR A 91 6.522 -6.381 -2.331 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.635 -7.102 -1.808 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.537 -6.706 -3.827 1.00 0.00 C ATOM 0 H THR A 91 6.750 -3.677 -3.734 1.00 0.00 H new ATOM 0 HA THR A 91 6.542 -4.688 -1.030 1.00 0.00 H new ATOM 0 HB THR A 91 5.540 -6.613 -1.919 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.865 -7.835 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.291 -7.758 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.803 -6.086 -4.341 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.529 -6.506 -4.233 1.00 0.00 H new ATOM 1290 N HIS A 92 8.998 -4.798 -0.939 1.00 0.00 N ATOM 1291 CA HIS A 92 10.426 -4.555 -0.830 1.00 0.00 C ATOM 1292 C HIS A 92 11.194 -5.704 -1.485 1.00 0.00 C ATOM 1293 O HIS A 92 12.407 -5.818 -1.320 1.00 0.00 O ATOM 1294 CB HIS A 92 10.828 -4.327 0.628 1.00 0.00 C ATOM 1295 CG HIS A 92 10.540 -2.935 1.135 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.363 -2.278 2.034 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.512 -2.081 0.860 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.844 -1.085 2.281 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.698 -0.965 1.554 1.00 0.00 N ATOM 0 H HIS A 92 8.551 -5.108 -0.076 1.00 0.00 H new ATOM 0 HA HIS A 92 10.685 -3.641 -1.364 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.303 -5.047 1.256 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.894 -4.528 0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.687 -2.279 0.191 1.00 0.00 H new ATOM 0 HE1 HIS A 92 11.257 -0.338 2.943 1.00 0.00 H new ATOM 0 HE2 HIS A 92 9.084 -0.151 1.545 1.00 0.00 H new ATOM 1308 N THR A 93 10.455 -6.528 -2.214 1.00 0.00 N ATOM 1309 CA THR A 93 11.052 -7.665 -2.895 1.00 0.00 C ATOM 1310 C THR A 93 12.320 -7.237 -3.636 1.00 0.00 C ATOM 1311 O THR A 93 12.264 -6.856 -4.804 1.00 0.00 O ATOM 1312 CB THR A 93 9.991 -8.277 -3.811 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.367 -9.272 -3.004 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.603 -9.067 -4.969 1.00 0.00 C ATOM 0 H THR A 93 9.448 -6.431 -2.348 1.00 0.00 H new ATOM 0 HA THR A 93 11.370 -8.429 -2.185 1.00 0.00 H new ATOM 0 HB THR A 93 9.354 -7.486 -4.207 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.664 -9.718 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.807 -9.480 -5.588 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.226 -8.406 -5.572 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.213 -9.879 -4.573 1.00 0.00 H new ATOM 1322 N GLY A 94 13.436 -7.313 -2.925 1.00 0.00 N ATOM 1323 CA GLY A 94 14.717 -6.939 -3.500 1.00 0.00 C ATOM 1324 C GLY A 94 14.547 -5.836 -4.545 1.00 0.00 C ATOM 1325 O GLY A 94 15.166 -5.881 -5.608 1.00 0.00 O ATOM 0 H GLY A 94 13.479 -7.628 -1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.388 -6.598 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.182 -7.811 -3.959 1.00 0.00 H new ATOM 1329 N ALA A 95 13.705 -4.870 -4.209 1.00 0.00 N ATOM 1330 CA ALA A 95 13.445 -3.757 -5.105 1.00 0.00 C ATOM 1331 C ALA A 95 14.752 -3.009 -5.374 1.00 0.00 C ATOM 1332 O ALA A 95 14.815 -2.160 -6.262 1.00 0.00 O ATOM 1333 CB ALA A 95 12.371 -2.851 -4.499 1.00 0.00 C ATOM 0 H ALA A 95 13.193 -4.835 -3.327 1.00 0.00 H new ATOM 0 HA ALA A 95 13.066 -4.117 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.177 -2.016 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.453 -3.421 -4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.717 -2.469 -3.538 1.00 0.00 H new ATOM 1339 N SER A 96 15.765 -3.352 -4.592 1.00 0.00 N ATOM 1340 CA SER A 96 17.068 -2.724 -4.735 1.00 0.00 C ATOM 1341 C SER A 96 17.228 -1.609 -3.699 1.00 0.00 C ATOM 1342 O SER A 96 17.639 -0.500 -4.034 1.00 0.00 O ATOM 1343 CB SER A 96 17.259 -2.167 -6.147 1.00 0.00 C ATOM 1344 OG SER A 96 18.636 -2.014 -6.478 1.00 0.00 O ATOM 0 H SER A 96 15.710 -4.057 -3.857 1.00 0.00 H new ATOM 0 HA SER A 96 17.833 -3.482 -4.566 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.785 -2.834 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.757 -1.203 -6.227 1.00 0.00 H new ATOM 0 HG SER A 96 18.716 -1.658 -7.387 1.00 0.00 H new ATOM 1350 N GLY A 97 16.894 -1.943 -2.461 1.00 0.00 N ATOM 1351 CA GLY A 97 16.996 -0.985 -1.374 1.00 0.00 C ATOM 1352 C GLY A 97 15.636 -0.766 -0.707 1.00 0.00 C ATOM 1353 O GLY A 97 14.942 -1.726 -0.375 1.00 0.00 O ATOM 0 H GLY A 97 16.552 -2.864 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.714 -1.342 -0.636 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.375 -0.037 -1.755 1.00 0.00 H new ATOM 1357 N ASN A 98 15.297 0.503 -0.530 1.00 0.00 N ATOM 1358 CA ASN A 98 14.033 0.859 0.092 1.00 0.00 C ATOM 1359 C ASN A 98 12.991 1.121 -0.998 1.00 0.00 C ATOM 1360 O ASN A 98 11.885 1.575 -0.707 1.00 0.00 O ATOM 1361 CB ASN A 98 14.172 2.133 0.928 1.00 0.00 C ATOM 1362 CG ASN A 98 12.813 2.581 1.471 1.00 0.00 C ATOM 1363 OD1 ASN A 98 11.988 1.579 1.760 1.00 0.00 O flip ATOM 1364 ND2 ASN A 98 12.533 3.760 1.619 1.00 0.00 N flip ATOM 0 H ASN A 98 15.875 1.296 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 98 13.729 0.035 0.737 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.859 1.956 1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.604 2.927 0.319 1.00 0.00 H new ATOM 0 HD21 ASN A 98 13.214 4.480 1.377 1.00 0.00 H new ATOM 0 HD22 ASN A 98 11.618 4.025 1.985 1.00 0.00 H new ATOM 1371 N ASN A 99 13.379 0.823 -2.229 1.00 0.00 N ATOM 1372 CA ASN A 99 12.492 1.019 -3.362 1.00 0.00 C ATOM 1373 C ASN A 99 11.361 -0.009 -3.303 1.00 0.00 C ATOM 1374 O ASN A 99 11.475 -1.025 -2.618 1.00 0.00 O ATOM 1375 CB ASN A 99 13.237 0.828 -4.685 1.00 0.00 C ATOM 1376 CG ASN A 99 14.464 -0.068 -4.498 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.273 -1.077 -3.653 1.00 0.00 O flip ATOM 1378 ND2 ASN A 99 15.512 0.143 -5.084 1.00 0.00 N flip ATOM 0 H ASN A 99 14.297 0.447 -2.466 1.00 0.00 H new ATOM 0 HA ASN A 99 12.101 2.035 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.568 0.385 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.546 1.797 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.590 0.937 -5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 99 16.311 -0.474 -4.939 1.00 0.00 H new ATOM 1385 N PHE A 100 10.294 0.290 -4.030 1.00 0.00 N ATOM 1386 CA PHE A 100 9.143 -0.597 -4.069 1.00 0.00 C ATOM 1387 C PHE A 100 8.954 -1.189 -5.467 1.00 0.00 C ATOM 1388 O PHE A 100 9.563 -0.724 -6.429 1.00 0.00 O ATOM 1389 CB PHE A 100 7.917 0.247 -3.715 1.00 0.00 C ATOM 1390 CG PHE A 100 7.708 0.441 -2.212 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.552 -0.641 -1.402 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.678 1.694 -1.685 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.359 -0.460 -0.006 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.484 1.874 -0.291 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.328 0.793 0.520 1.00 0.00 C ATOM 0 H PHE A 100 10.202 1.133 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 100 9.285 -1.422 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 100 8.013 1.225 -4.187 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.030 -0.225 -4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.575 -1.637 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 100 7.802 2.553 -2.328 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.237 -1.319 0.638 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.460 2.870 0.126 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.180 0.930 1.581 1.00 0.00 H new ATOM 1405 N VAL A 101 8.106 -2.205 -5.535 1.00 0.00 N ATOM 1406 CA VAL A 101 7.829 -2.864 -6.799 1.00 0.00 C ATOM 1407 C VAL A 101 6.541 -3.680 -6.673 1.00 0.00 C ATOM 1408 O VAL A 101 6.351 -4.401 -5.695 1.00 0.00 O ATOM 1409 CB VAL A 101 9.032 -3.710 -7.223 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.243 -2.827 -7.527 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.369 -4.757 -6.159 1.00 0.00 C ATOM 0 H VAL A 101 7.602 -2.587 -4.735 1.00 0.00 H new ATOM 0 HA VAL A 101 7.672 -2.127 -7.587 1.00 0.00 H new ATOM 0 HB VAL A 101 8.764 -4.238 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.084 -3.453 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.998 -2.139 -8.336 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.512 -2.259 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.227 -5.344 -6.485 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.607 -4.258 -5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.513 -5.416 -6.013 1.00 0.00 H new ATOM 1421 N GLU A 102 5.687 -3.537 -7.676 1.00 0.00 N ATOM 1422 CA GLU A 102 4.421 -4.250 -7.689 1.00 0.00 C ATOM 1423 C GLU A 102 4.659 -5.755 -7.543 1.00 0.00 C ATOM 1424 O GLU A 102 5.410 -6.346 -8.317 1.00 0.00 O ATOM 1425 CB GLU A 102 3.631 -3.942 -8.962 1.00 0.00 C ATOM 1426 CG GLU A 102 4.562 -3.501 -10.093 1.00 0.00 C ATOM 1427 CD GLU A 102 3.916 -3.738 -11.459 1.00 0.00 C ATOM 1428 OE1 GLU A 102 3.761 -4.926 -11.815 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.592 -2.726 -12.117 1.00 0.00 O ATOM 0 H GLU A 102 5.847 -2.938 -8.486 1.00 0.00 H new ATOM 0 HA GLU A 102 3.826 -3.911 -6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.072 -4.826 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.901 -3.158 -8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.803 -2.444 -9.979 1.00 0.00 H new ATOM 0 HG3 GLU A 102 5.501 -4.051 -10.031 1.00 0.00 H new ATOM 1436 N CYS A 103 4.004 -6.331 -6.546 1.00 0.00 N ATOM 1437 CA CYS A 103 4.134 -7.755 -6.289 1.00 0.00 C ATOM 1438 C CYS A 103 3.777 -8.510 -7.571 1.00 0.00 C ATOM 1439 O CYS A 103 3.651 -7.906 -8.636 1.00 0.00 O ATOM 1440 CB CYS A 103 3.270 -8.199 -5.107 1.00 0.00 C ATOM 1441 SG CYS A 103 3.764 -7.498 -3.490 1.00 0.00 S ATOM 0 H CYS A 103 3.382 -5.837 -5.906 1.00 0.00 H new ATOM 0 HA CYS A 103 5.162 -7.983 -6.008 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.235 -7.921 -5.307 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.301 -9.287 -5.041 1.00 0.00 H new ATOM 0 HG CYS A 103 2.856 -7.774 -2.602 1.00 0.00 H new ATOM 1446 N THR A 104 3.626 -9.818 -7.426 1.00 0.00 N ATOM 1447 CA THR A 104 3.287 -10.662 -8.560 1.00 0.00 C ATOM 1448 C THR A 104 1.860 -11.196 -8.419 1.00 0.00 C ATOM 1449 O THR A 104 0.904 -10.545 -8.841 1.00 0.00 O ATOM 1450 CB THR A 104 4.341 -11.765 -8.661 1.00 0.00 C ATOM 1451 OG1 THR A 104 4.181 -12.510 -7.458 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.769 -11.221 -8.575 1.00 0.00 C ATOM 0 H THR A 104 3.732 -10.314 -6.541 1.00 0.00 H new ATOM 0 HA THR A 104 3.299 -10.096 -9.491 1.00 0.00 H new ATOM 0 HB THR A 104 4.213 -12.303 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.484 -11.972 -6.697 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.478 -12.046 -8.652 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.940 -10.518 -9.390 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.907 -10.711 -7.621 1.00 0.00 H new TER 1460 THR A 104