USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=38 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 92 HIS : no HD1:sc= -8.07! C(o=-12!,f=-15!) USER MOD Set 1.2: A 98 ASN : amide:sc= -4.35! C(o=-12!,f=-9.3!) USER MOD Set 2.1: A 91 THR OG1 : rot 137:sc= 1.27 USER MOD Set 2.2: A 93 THR OG1 : rot 66:sc= 0.393 USER MOD Set 3.1: A 81 ASN : amide:sc= -22.6! C(o=-56!,f=-30!) USER MOD Set 3.2: A 83 ASN : amide:sc= -22.2! C(o=-56!,f=-28!) USER MOD Set 3.3: A 85 GLN : amide:sc= -11.1! K(o=-56!,f=-30) USER MOD Set 4.1: A 27 HIS : no HD1:sc= -13! C(o=-17!,f=-20!) USER MOD Set 4.2: A 57 TYR OH : rot -70:sc= -3.63! USER MOD Set 5.1: A 12 SER OG : rot 180:sc= -0.687! USER MOD Set 5.2: A 13 SER OG : rot 180:sc= 0.0416 USER MOD Set 6.1: A 6 CYS SG : rot -29:sc= -22.9! USER MOD Set 6.2: A 9 ASN : amide:sc= -23.1! C(o=-92!,f=-96!) USER MOD Set 6.3: A 11 TYR OH : rot -176:sc= -8.63! USER MOD Set 6.4: A 63 SER OG : rot -83:sc= 0.228 USER MOD Set 6.5: A 103 CYS SG : rot 178:sc= -37.7! USER MOD Set 7.1: A 2 CYS SG : rot 161:sc= -8.96! USER MOD Set 7.2: A 10 CYS SG : rot -94:sc= -15.6! USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.136 (180deg=0) USER MOD Single : A 4 TYR OH : rot 165:sc= 0 USER MOD Single : A 5 THR OG1 : rot -84:sc= 0.0353 USER MOD Single : A 8 SER OG : rot 61:sc= 1.13 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= -15.1! C(o=-15!,f=-21!) USER MOD Single : A 24 TYR OH : rot -84:sc= -0.0043! USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.0729 (180deg=-0.532) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -4.47! C(o=-4.5!,f=-5.3!) USER MOD Single : A 37 SER OG : rot 65:sc= 1.13 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -6.45! C(o=-6.5!,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.0115 (180deg=-0.547) USER MOD Single : A 42 TYR OH : rot -117:sc= -5.82! USER MOD Single : A 43 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.15) USER MOD Single : A 44 ASN : amide:sc= -3.66! C(o=-3.7!,f=-0.57!) 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 -31:sc= 1.21 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot -132:sc= -11.8! USER MOD Single : A 69 SER OG : rot 62:sc= 1.17 USER MOD Single : A 72 SER OG : rot 56:sc= 1.2 USER MOD Single : A 84 ASN : amide:sc= -14.3! C(o=-14!,f=-7.7!) USER MOD Single : A 96 SER OG : rot -56:sc= 0.00601 USER MOD Single : A 99 ASN : amide:sc= -7.23! K(o=-7.2!,f=-1.3) USER MOD Single : A 104 THR OG1 : rot -82:sc= 0.609 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -9.367 -14.165 -7.367 1.00 0.00 N ATOM 2 CA ALA A 1 -8.407 -14.933 -6.594 1.00 0.00 C ATOM 3 C ALA A 1 -7.100 -14.145 -6.483 1.00 0.00 C ATOM 4 O ALA A 1 -6.863 -13.217 -7.256 1.00 0.00 O ATOM 5 CB ALA A 1 -8.207 -16.304 -7.243 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.170 -13.901 -6.760 1.00 0.00 H new ATOM 0 H2 ALA A 1 -8.911 -13.304 -7.731 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.709 -14.739 -8.164 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.777 -15.102 -5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.486 -16.880 -6.662 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.158 -16.836 -7.271 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.834 -16.175 -8.259 1.00 0.00 H new ATOM 11 N CYS A 2 -6.286 -14.543 -5.517 1.00 0.00 N ATOM 12 CA CYS A 2 -5.010 -13.884 -5.295 1.00 0.00 C ATOM 13 C CYS A 2 -4.479 -13.398 -6.645 1.00 0.00 C ATOM 14 O CYS A 2 -4.344 -14.184 -7.583 1.00 0.00 O ATOM 15 CB CYS A 2 -4.014 -14.806 -4.589 1.00 0.00 C ATOM 16 SG CYS A 2 -4.577 -16.536 -4.388 1.00 0.00 S ATOM 0 H CYS A 2 -6.485 -15.314 -4.879 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.149 -13.030 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.080 -14.806 -5.150 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.794 -14.394 -3.604 1.00 0.00 H new ATOM 0 HG CYS A 2 -3.551 -17.304 -4.172 1.00 0.00 H new ATOM 21 N ASP A 3 -4.194 -12.106 -6.703 1.00 0.00 N ATOM 22 CA ASP A 3 -3.682 -11.506 -7.922 1.00 0.00 C ATOM 23 C ASP A 3 -2.418 -10.705 -7.600 1.00 0.00 C ATOM 24 O ASP A 3 -1.702 -10.279 -8.505 1.00 0.00 O ATOM 25 CB ASP A 3 -4.704 -10.547 -8.536 1.00 0.00 C ATOM 26 CG ASP A 3 -5.607 -11.164 -9.606 1.00 0.00 C ATOM 27 OD1 ASP A 3 -5.257 -12.269 -10.076 1.00 0.00 O ATOM 28 OD2 ASP A 3 -6.627 -10.517 -9.930 1.00 0.00 O ATOM 0 H ASP A 3 -4.308 -11.457 -5.924 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.470 -12.308 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.331 -10.148 -7.738 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -4.171 -9.703 -8.974 1.00 0.00 H new ATOM 33 N TYR A 4 -2.183 -10.525 -6.308 1.00 0.00 N ATOM 34 CA TYR A 4 -1.018 -9.785 -5.856 1.00 0.00 C ATOM 35 C TYR A 4 -0.252 -10.566 -4.786 1.00 0.00 C ATOM 36 O TYR A 4 -0.541 -10.443 -3.597 1.00 0.00 O ATOM 37 CB TYR A 4 -1.555 -8.491 -5.240 1.00 0.00 C ATOM 38 CG TYR A 4 -2.292 -7.589 -6.231 1.00 0.00 C ATOM 39 CD1 TYR A 4 -1.580 -6.843 -7.147 1.00 0.00 C ATOM 40 CD2 TYR A 4 -3.671 -7.520 -6.208 1.00 0.00 C ATOM 41 CE1 TYR A 4 -2.274 -5.994 -8.080 1.00 0.00 C ATOM 42 CE2 TYR A 4 -4.365 -6.671 -7.140 1.00 0.00 C ATOM 43 CZ TYR A 4 -3.633 -5.950 -8.031 1.00 0.00 C ATOM 44 OH TYR A 4 -4.289 -5.147 -8.913 1.00 0.00 O ATOM 0 H TYR A 4 -2.780 -10.879 -5.561 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.334 -9.602 -6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.230 -8.743 -4.422 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.724 -7.935 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -0.501 -6.896 -7.164 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -4.229 -8.103 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.728 -5.405 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.443 -6.608 -7.132 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.239 -5.388 -8.931 1.00 0.00 H new ATOM 54 N THR A 5 0.709 -11.353 -5.249 1.00 0.00 N ATOM 55 CA THR A 5 1.518 -12.154 -4.346 1.00 0.00 C ATOM 56 C THR A 5 2.869 -11.479 -4.099 1.00 0.00 C ATOM 57 O THR A 5 3.750 -11.514 -4.956 1.00 0.00 O ATOM 58 CB THR A 5 1.640 -13.558 -4.941 1.00 0.00 C ATOM 59 OG1 THR A 5 0.307 -14.062 -4.916 1.00 0.00 O ATOM 60 CG2 THR A 5 2.417 -14.514 -4.033 1.00 0.00 C ATOM 0 H THR A 5 0.945 -11.453 -6.236 1.00 0.00 H new ATOM 0 HA THR A 5 1.049 -12.240 -3.366 1.00 0.00 H new ATOM 0 HB THR A 5 2.132 -13.499 -5.912 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.115 -14.437 -4.031 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.474 -15.496 -4.503 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.424 -14.128 -3.875 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.907 -14.600 -3.074 1.00 0.00 H new ATOM 68 N CYS A 6 2.989 -10.880 -2.923 1.00 0.00 N ATOM 69 CA CYS A 6 4.217 -10.198 -2.553 1.00 0.00 C ATOM 70 C CYS A 6 5.212 -11.244 -2.046 1.00 0.00 C ATOM 71 O CYS A 6 5.583 -11.235 -0.873 1.00 0.00 O ATOM 72 CB CYS A 6 3.965 -9.101 -1.517 1.00 0.00 C ATOM 73 SG CYS A 6 3.426 -7.496 -2.214 1.00 0.00 S ATOM 0 H CYS A 6 2.256 -10.853 -2.214 1.00 0.00 H new ATOM 0 HA CYS A 6 4.633 -9.694 -3.425 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.207 -9.450 -0.816 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.879 -8.944 -0.945 1.00 0.00 H new ATOM 0 HG CYS A 6 3.911 -7.359 -3.412 1.00 0.00 H new ATOM 78 N GLY A 7 5.618 -12.118 -2.954 1.00 0.00 N ATOM 79 CA GLY A 7 6.562 -13.168 -2.613 1.00 0.00 C ATOM 80 C GLY A 7 5.920 -14.208 -1.694 1.00 0.00 C ATOM 81 O GLY A 7 5.921 -15.399 -2.001 1.00 0.00 O ATOM 0 H GLY A 7 5.310 -12.121 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.917 -13.652 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.433 -12.733 -2.123 1.00 0.00 H new ATOM 85 N SER A 8 5.385 -13.719 -0.584 1.00 0.00 N ATOM 86 CA SER A 8 4.740 -14.592 0.382 1.00 0.00 C ATOM 87 C SER A 8 3.364 -14.036 0.752 1.00 0.00 C ATOM 88 O SER A 8 3.068 -13.832 1.929 1.00 0.00 O ATOM 89 CB SER A 8 5.600 -14.756 1.637 1.00 0.00 C ATOM 90 OG SER A 8 5.424 -13.677 2.551 1.00 0.00 O ATOM 0 H SER A 8 5.385 -12.730 -0.333 1.00 0.00 H new ATOM 0 HA SER A 8 4.618 -15.575 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.346 -15.694 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.650 -14.821 1.351 1.00 0.00 H new ATOM 0 HG SER A 8 4.487 -13.639 2.836 1.00 0.00 H new ATOM 96 N ASN A 9 2.558 -13.805 -0.274 1.00 0.00 N ATOM 97 CA ASN A 9 1.220 -13.275 -0.072 1.00 0.00 C ATOM 98 C ASN A 9 0.266 -13.914 -1.082 1.00 0.00 C ATOM 99 O ASN A 9 0.664 -14.789 -1.850 1.00 0.00 O ATOM 100 CB ASN A 9 1.189 -11.761 -0.284 1.00 0.00 C ATOM 101 CG ASN A 9 2.256 -11.067 0.566 1.00 0.00 C ATOM 102 OD1 ASN A 9 1.966 -10.301 1.469 1.00 0.00 O ATOM 103 ND2 ASN A 9 3.504 -11.376 0.225 1.00 0.00 N ATOM 0 H ASN A 9 2.806 -13.975 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 9 0.918 -13.501 0.951 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.354 -11.534 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.204 -11.374 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.288 -10.963 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.677 -12.026 -0.542 1.00 0.00 H new ATOM 110 N CYS A 10 -0.975 -13.452 -1.050 1.00 0.00 N ATOM 111 CA CYS A 10 -1.990 -13.967 -1.954 1.00 0.00 C ATOM 112 C CYS A 10 -3.284 -13.186 -1.718 1.00 0.00 C ATOM 113 O CYS A 10 -4.308 -13.769 -1.361 1.00 0.00 O ATOM 114 CB CYS A 10 -2.190 -15.473 -1.780 1.00 0.00 C ATOM 115 SG CYS A 10 -2.396 -16.405 -3.342 1.00 0.00 S ATOM 0 H CYS A 10 -1.301 -12.726 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.667 -13.828 -2.986 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.334 -15.879 -1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -3.068 -15.639 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.662 -16.527 -3.611 1.00 0.00 H new ATOM 120 N TYR A 11 -3.198 -11.882 -1.925 1.00 0.00 N ATOM 121 CA TYR A 11 -4.350 -11.016 -1.738 1.00 0.00 C ATOM 122 C TYR A 11 -4.603 -10.163 -2.983 1.00 0.00 C ATOM 123 O TYR A 11 -3.924 -9.161 -3.201 1.00 0.00 O ATOM 124 CB TYR A 11 -4.003 -10.096 -0.566 1.00 0.00 C ATOM 125 CG TYR A 11 -2.513 -9.761 -0.460 1.00 0.00 C ATOM 126 CD1 TYR A 11 -1.790 -9.465 -1.598 1.00 0.00 C ATOM 127 CD2 TYR A 11 -1.894 -9.753 0.773 1.00 0.00 C ATOM 128 CE1 TYR A 11 -0.389 -9.149 -1.498 1.00 0.00 C ATOM 129 CE2 TYR A 11 -0.493 -9.435 0.872 1.00 0.00 C ATOM 130 CZ TYR A 11 0.191 -9.150 -0.268 1.00 0.00 C ATOM 131 OH TYR A 11 1.515 -8.851 -0.174 1.00 0.00 O ATOM 0 H TYR A 11 -2.348 -11.402 -2.221 1.00 0.00 H new ATOM 0 HA TYR A 11 -5.247 -11.607 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -4.568 -9.169 -0.665 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -4.326 -10.568 0.362 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.275 -9.470 -2.563 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.460 -9.985 1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.189 -8.916 -2.380 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.004 -9.423 1.831 1.00 0.00 H new ATOM 0 HH TYR A 11 1.807 -8.947 0.757 1.00 0.00 H new ATOM 141 N SER A 12 -5.582 -10.591 -3.767 1.00 0.00 N ATOM 142 CA SER A 12 -5.932 -9.879 -4.983 1.00 0.00 C ATOM 143 C SER A 12 -6.422 -8.469 -4.643 1.00 0.00 C ATOM 144 O SER A 12 -6.506 -8.104 -3.471 1.00 0.00 O ATOM 145 CB SER A 12 -7.000 -10.634 -5.776 1.00 0.00 C ATOM 146 OG SER A 12 -8.011 -9.763 -6.277 1.00 0.00 O ATOM 0 H SER A 12 -6.144 -11.422 -3.583 1.00 0.00 H new ATOM 0 HA SER A 12 -5.039 -9.807 -5.604 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.530 -11.159 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.457 -11.391 -5.138 1.00 0.00 H new ATOM 0 HG SER A 12 -8.672 -10.284 -6.779 1.00 0.00 H new ATOM 152 N SER A 13 -6.733 -7.717 -5.688 1.00 0.00 N ATOM 153 CA SER A 13 -7.212 -6.356 -5.514 1.00 0.00 C ATOM 154 C SER A 13 -8.381 -6.336 -4.528 1.00 0.00 C ATOM 155 O SER A 13 -8.732 -5.283 -3.997 1.00 0.00 O ATOM 156 CB SER A 13 -7.634 -5.746 -6.851 1.00 0.00 C ATOM 157 OG SER A 13 -8.068 -6.738 -7.778 1.00 0.00 O ATOM 0 H SER A 13 -6.663 -8.024 -6.658 1.00 0.00 H new ATOM 0 HA SER A 13 -6.396 -5.754 -5.113 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.438 -5.029 -6.685 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.797 -5.193 -7.277 1.00 0.00 H new ATOM 0 HG SER A 13 -8.330 -6.308 -8.619 1.00 0.00 H new ATOM 163 N SER A 14 -8.954 -7.511 -4.313 1.00 0.00 N ATOM 164 CA SER A 14 -10.077 -7.641 -3.400 1.00 0.00 C ATOM 165 C SER A 14 -9.572 -7.727 -1.959 1.00 0.00 C ATOM 166 O SER A 14 -10.263 -7.312 -1.030 1.00 0.00 O ATOM 167 CB SER A 14 -10.923 -8.869 -3.740 1.00 0.00 C ATOM 168 OG SER A 14 -12.066 -8.980 -2.896 1.00 0.00 O ATOM 0 H SER A 14 -8.661 -8.382 -4.756 1.00 0.00 H new ATOM 0 HA SER A 14 -10.708 -6.758 -3.505 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.244 -8.811 -4.780 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.313 -9.767 -3.644 1.00 0.00 H new ATOM 0 HG SER A 14 -12.581 -9.775 -3.146 1.00 0.00 H new ATOM 174 N ASP A 15 -8.370 -8.267 -1.817 1.00 0.00 N ATOM 175 CA ASP A 15 -7.766 -8.412 -0.504 1.00 0.00 C ATOM 176 C ASP A 15 -7.084 -7.099 -0.113 1.00 0.00 C ATOM 177 O ASP A 15 -7.193 -6.655 1.029 1.00 0.00 O ATOM 178 CB ASP A 15 -6.703 -9.513 -0.505 1.00 0.00 C ATOM 179 CG ASP A 15 -7.212 -10.904 -0.119 1.00 0.00 C ATOM 180 OD1 ASP A 15 -8.126 -11.389 -0.822 1.00 0.00 O ATOM 181 OD2 ASP A 15 -6.677 -11.449 0.869 1.00 0.00 O ATOM 0 H ASP A 15 -7.799 -8.609 -2.590 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.554 -8.671 0.202 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.259 -9.568 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.907 -9.230 0.184 1.00 0.00 H new ATOM 186 N VAL A 16 -6.396 -6.515 -1.084 1.00 0.00 N ATOM 187 CA VAL A 16 -5.697 -5.262 -0.856 1.00 0.00 C ATOM 188 C VAL A 16 -6.653 -4.259 -0.206 1.00 0.00 C ATOM 189 O VAL A 16 -6.323 -3.645 0.807 1.00 0.00 O ATOM 190 CB VAL A 16 -5.096 -4.751 -2.166 1.00 0.00 C ATOM 191 CG1 VAL A 16 -4.545 -3.334 -2.001 1.00 0.00 C ATOM 192 CG2 VAL A 16 -4.016 -5.704 -2.682 1.00 0.00 C ATOM 0 H VAL A 16 -6.308 -6.887 -2.030 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.865 -5.410 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.893 -4.715 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.124 -2.995 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.350 -2.663 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.768 -3.332 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.605 -5.317 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.220 -5.787 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.452 -6.687 -2.858 1.00 0.00 H new ATOM 202 N SER A 17 -7.822 -4.125 -0.816 1.00 0.00 N ATOM 203 CA SER A 17 -8.830 -3.208 -0.310 1.00 0.00 C ATOM 204 C SER A 17 -8.805 -3.196 1.220 1.00 0.00 C ATOM 205 O SER A 17 -8.692 -2.137 1.833 1.00 0.00 O ATOM 206 CB SER A 17 -10.223 -3.588 -0.816 1.00 0.00 C ATOM 207 OG SER A 17 -11.184 -2.571 -0.546 1.00 0.00 O ATOM 0 H SER A 17 -8.094 -4.636 -1.656 1.00 0.00 H new ATOM 0 HA SER A 17 -8.600 -2.208 -0.678 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.181 -3.772 -1.890 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.538 -4.519 -0.345 1.00 0.00 H new ATOM 0 HG SER A 17 -12.060 -2.850 -0.886 1.00 0.00 H new ATOM 213 N THR A 18 -8.913 -4.386 1.791 1.00 0.00 N ATOM 214 CA THR A 18 -8.905 -4.526 3.238 1.00 0.00 C ATOM 215 C THR A 18 -7.780 -3.687 3.847 1.00 0.00 C ATOM 216 O THR A 18 -8.022 -2.863 4.727 1.00 0.00 O ATOM 217 CB THR A 18 -8.799 -6.016 3.568 1.00 0.00 C ATOM 218 OG1 THR A 18 -10.155 -6.450 3.651 1.00 0.00 O ATOM 219 CG2 THR A 18 -8.242 -6.267 4.971 1.00 0.00 C ATOM 0 H THR A 18 -9.007 -5.263 1.278 1.00 0.00 H new ATOM 0 HA THR A 18 -9.827 -4.146 3.678 1.00 0.00 H new ATOM 0 HB THR A 18 -8.163 -6.506 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.180 -7.407 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.187 -7.340 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.245 -5.834 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.897 -5.806 5.710 1.00 0.00 H new ATOM 227 N ALA A 19 -6.573 -3.927 3.355 1.00 0.00 N ATOM 228 CA ALA A 19 -5.410 -3.204 3.841 1.00 0.00 C ATOM 229 C ALA A 19 -5.622 -1.704 3.628 1.00 0.00 C ATOM 230 O ALA A 19 -5.296 -0.898 4.498 1.00 0.00 O ATOM 231 CB ALA A 19 -4.155 -3.722 3.134 1.00 0.00 C ATOM 0 H ALA A 19 -6.376 -4.612 2.625 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.274 -3.369 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.282 -3.180 3.498 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.034 -4.785 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.254 -3.570 2.059 1.00 0.00 H new ATOM 237 N GLN A 20 -6.167 -1.374 2.466 1.00 0.00 N ATOM 238 CA GLN A 20 -6.425 0.015 2.128 1.00 0.00 C ATOM 239 C GLN A 20 -7.373 0.642 3.152 1.00 0.00 C ATOM 240 O GLN A 20 -7.056 1.670 3.749 1.00 0.00 O ATOM 241 CB GLN A 20 -6.990 0.138 0.712 1.00 0.00 C ATOM 242 CG GLN A 20 -6.255 -0.793 -0.254 1.00 0.00 C ATOM 243 CD GLN A 20 -6.926 -0.798 -1.630 1.00 0.00 C ATOM 244 OE1 GLN A 20 -7.167 -1.834 -2.227 1.00 0.00 O ATOM 245 NE2 GLN A 20 -7.216 0.414 -2.095 1.00 0.00 N ATOM 0 H GLN A 20 -6.437 -2.045 1.747 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.480 0.558 2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.053 -0.104 0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.900 1.169 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.217 -0.474 -0.353 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.240 -1.805 0.151 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.987 1.240 -1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.668 0.517 -3.004 1.00 0.00 H new ATOM 254 N ALA A 21 -8.518 -0.003 3.325 1.00 0.00 N ATOM 255 CA ALA A 21 -9.513 0.479 4.267 1.00 0.00 C ATOM 256 C ALA A 21 -8.809 1.084 5.483 1.00 0.00 C ATOM 257 O ALA A 21 -9.250 2.099 6.021 1.00 0.00 O ATOM 258 CB ALA A 21 -10.453 -0.666 4.648 1.00 0.00 C ATOM 0 H ALA A 21 -8.778 -0.855 2.828 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.120 1.263 3.814 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.200 -0.304 5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.951 -1.040 3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.879 -1.471 5.107 1.00 0.00 H new ATOM 264 N ALA A 22 -7.724 0.436 5.881 1.00 0.00 N ATOM 265 CA ALA A 22 -6.953 0.897 7.024 1.00 0.00 C ATOM 266 C ALA A 22 -6.184 2.162 6.637 1.00 0.00 C ATOM 267 O ALA A 22 -6.280 3.182 7.317 1.00 0.00 O ATOM 268 CB ALA A 22 -6.029 -0.225 7.503 1.00 0.00 C ATOM 0 H ALA A 22 -7.360 -0.405 5.432 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.611 1.153 7.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.451 0.121 8.360 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.626 -1.089 7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.351 -0.507 6.698 1.00 0.00 H new ATOM 274 N GLY A 23 -5.438 2.052 5.548 1.00 0.00 N ATOM 275 CA GLY A 23 -4.652 3.175 5.063 1.00 0.00 C ATOM 276 C GLY A 23 -5.538 4.397 4.815 1.00 0.00 C ATOM 277 O GLY A 23 -5.158 5.520 5.146 1.00 0.00 O ATOM 0 H GLY A 23 -5.361 1.203 4.988 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.879 3.423 5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.144 2.896 4.140 1.00 0.00 H new ATOM 281 N TYR A 24 -6.701 4.138 4.234 1.00 0.00 N ATOM 282 CA TYR A 24 -7.643 5.204 3.939 1.00 0.00 C ATOM 283 C TYR A 24 -8.216 5.803 5.225 1.00 0.00 C ATOM 284 O TYR A 24 -7.946 6.957 5.550 1.00 0.00 O ATOM 285 CB TYR A 24 -8.777 4.555 3.143 1.00 0.00 C ATOM 286 CG TYR A 24 -9.524 5.522 2.222 1.00 0.00 C ATOM 287 CD1 TYR A 24 -8.988 5.861 0.997 1.00 0.00 C ATOM 288 CD2 TYR A 24 -10.734 6.056 2.618 1.00 0.00 C ATOM 289 CE1 TYR A 24 -9.692 6.771 0.131 1.00 0.00 C ATOM 290 CE2 TYR A 24 -11.437 6.966 1.752 1.00 0.00 C ATOM 291 CZ TYR A 24 -10.882 7.278 0.551 1.00 0.00 C ATOM 292 OH TYR A 24 -11.546 8.138 -0.267 1.00 0.00 O ATOM 0 H TYR A 24 -7.012 3.206 3.960 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.153 6.008 3.390 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.367 3.742 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -9.488 4.111 3.840 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.041 5.444 0.688 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.153 5.791 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.284 7.045 -0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.384 7.391 2.050 1.00 0.00 H new ATOM 0 HH TYR A 24 -11.195 9.044 -0.143 1.00 0.00 H new ATOM 302 N LYS A 25 -8.996 4.989 5.922 1.00 0.00 N ATOM 303 CA LYS A 25 -9.609 5.424 7.165 1.00 0.00 C ATOM 304 C LYS A 25 -8.588 6.216 7.983 1.00 0.00 C ATOM 305 O LYS A 25 -8.856 7.343 8.395 1.00 0.00 O ATOM 306 CB LYS A 25 -10.205 4.231 7.914 1.00 0.00 C ATOM 307 CG LYS A 25 -10.948 4.688 9.171 1.00 0.00 C ATOM 308 CD LYS A 25 -12.216 5.464 8.807 1.00 0.00 C ATOM 309 CE LYS A 25 -13.092 5.691 10.041 1.00 0.00 C ATOM 310 NZ LYS A 25 -13.589 4.401 10.568 1.00 0.00 N ATOM 0 H LYS A 25 -9.217 4.031 5.649 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.445 6.094 6.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.889 3.691 7.259 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.411 3.536 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.209 3.822 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.294 5.316 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.946 6.424 8.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.779 4.915 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.519 6.209 10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.934 6.334 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.434 4.567 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.833 3.773 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.850 3.955 11.148 1.00 0.00 H new ATOM 324 N LEU A 26 -7.436 5.595 8.193 1.00 0.00 N ATOM 325 CA LEU A 26 -6.372 6.228 8.955 1.00 0.00 C ATOM 326 C LEU A 26 -5.908 7.489 8.224 1.00 0.00 C ATOM 327 O LEU A 26 -5.553 8.482 8.856 1.00 0.00 O ATOM 328 CB LEU A 26 -5.247 5.230 9.234 1.00 0.00 C ATOM 329 CG LEU A 26 -3.909 5.832 9.666 1.00 0.00 C ATOM 330 CD1 LEU A 26 -4.088 6.761 10.869 1.00 0.00 C ATOM 331 CD2 LEU A 26 -2.876 4.736 9.937 1.00 0.00 C ATOM 0 H LEU A 26 -7.216 4.660 7.849 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.738 6.542 9.932 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.582 4.543 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.083 4.637 8.334 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.527 6.439 8.845 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.121 7.175 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.767 7.572 10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.504 6.198 11.705 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.934 5.191 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.238 4.083 10.731 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.719 4.151 9.030 1.00 0.00 H new ATOM 343 N HIS A 27 -5.927 7.408 6.901 1.00 0.00 N ATOM 344 CA HIS A 27 -5.513 8.531 6.077 1.00 0.00 C ATOM 345 C HIS A 27 -6.490 9.693 6.263 1.00 0.00 C ATOM 346 O HIS A 27 -6.075 10.834 6.456 1.00 0.00 O ATOM 347 CB HIS A 27 -5.367 8.107 4.615 1.00 0.00 C ATOM 348 CG HIS A 27 -5.213 9.260 3.652 1.00 0.00 C ATOM 349 ND1 HIS A 27 -4.171 10.169 3.732 1.00 0.00 N ATOM 350 CD2 HIS A 27 -5.978 9.643 2.589 1.00 0.00 C ATOM 351 CE1 HIS A 27 -4.314 11.055 2.757 1.00 0.00 C ATOM 352 NE2 HIS A 27 -5.434 10.727 2.050 1.00 0.00 N ATOM 0 H HIS A 27 -6.222 6.582 6.380 1.00 0.00 H new ATOM 0 HA HIS A 27 -4.529 8.876 6.395 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.501 7.452 4.522 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.241 7.522 4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.874 9.148 2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.659 11.890 2.557 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.794 11.232 1.240 1.00 0.00 H new ATOM 361 N GLU A 28 -7.771 9.361 6.197 1.00 0.00 N ATOM 362 CA GLU A 28 -8.812 10.363 6.356 1.00 0.00 C ATOM 363 C GLU A 28 -8.748 10.980 7.755 1.00 0.00 C ATOM 364 O GLU A 28 -9.188 12.110 7.959 1.00 0.00 O ATOM 365 CB GLU A 28 -10.195 9.765 6.084 1.00 0.00 C ATOM 366 CG GLU A 28 -10.084 8.301 5.655 1.00 0.00 C ATOM 367 CD GLU A 28 -11.458 7.729 5.298 1.00 0.00 C ATOM 368 OE1 GLU A 28 -12.121 7.226 6.230 1.00 0.00 O ATOM 369 OE2 GLU A 28 -11.811 7.807 4.102 1.00 0.00 O ATOM 0 H GLU A 28 -8.112 8.413 6.036 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.642 11.153 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -10.810 9.839 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.697 10.339 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.418 8.219 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.640 7.715 6.460 1.00 0.00 H new ATOM 376 N ASP A 29 -8.194 10.210 8.681 1.00 0.00 N ATOM 377 CA ASP A 29 -8.066 10.666 10.054 1.00 0.00 C ATOM 378 C ASP A 29 -6.793 11.504 10.191 1.00 0.00 C ATOM 379 O ASP A 29 -6.674 12.313 11.111 1.00 0.00 O ATOM 380 CB ASP A 29 -7.961 9.485 11.020 1.00 0.00 C ATOM 381 CG ASP A 29 -9.176 8.555 11.039 1.00 0.00 C ATOM 382 OD1 ASP A 29 -9.960 8.627 10.068 1.00 0.00 O ATOM 383 OD2 ASP A 29 -9.292 7.793 12.023 1.00 0.00 O ATOM 0 H ASP A 29 -7.829 9.274 8.507 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.951 11.253 10.298 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.079 8.900 10.760 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.802 9.871 12.027 1.00 0.00 H new ATOM 388 N GLY A 30 -5.873 11.281 9.264 1.00 0.00 N ATOM 389 CA GLY A 30 -4.614 12.005 9.270 1.00 0.00 C ATOM 390 C GLY A 30 -3.671 11.459 10.346 1.00 0.00 C ATOM 391 O GLY A 30 -2.781 12.165 10.813 1.00 0.00 O ATOM 0 H GLY A 30 -5.975 10.609 8.504 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.140 11.925 8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.800 13.064 9.448 1.00 0.00 H new ATOM 395 N GLU A 31 -3.903 10.204 10.707 1.00 0.00 N ATOM 396 CA GLU A 31 -3.086 9.555 11.718 1.00 0.00 C ATOM 397 C GLU A 31 -2.053 8.640 11.059 1.00 0.00 C ATOM 398 O GLU A 31 -2.039 8.493 9.838 1.00 0.00 O ATOM 399 CB GLU A 31 -3.956 8.777 12.708 1.00 0.00 C ATOM 400 CG GLU A 31 -4.432 9.679 13.847 1.00 0.00 C ATOM 401 CD GLU A 31 -3.297 9.956 14.836 1.00 0.00 C ATOM 402 OE1 GLU A 31 -2.446 9.055 14.990 1.00 0.00 O ATOM 403 OE2 GLU A 31 -3.309 11.063 15.417 1.00 0.00 O ATOM 0 H GLU A 31 -4.644 9.621 10.318 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.555 10.325 12.278 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.817 8.357 12.188 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.389 7.940 13.115 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.803 10.620 13.440 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.265 9.206 14.367 1.00 0.00 H new ATOM 410 N THR A 32 -1.212 8.050 11.895 1.00 0.00 N ATOM 411 CA THR A 32 -0.177 7.153 11.409 1.00 0.00 C ATOM 412 C THR A 32 -0.231 5.820 12.157 1.00 0.00 C ATOM 413 O THR A 32 -1.093 5.619 13.013 1.00 0.00 O ATOM 414 CB THR A 32 1.169 7.870 11.541 1.00 0.00 C ATOM 415 OG1 THR A 32 1.340 8.031 12.946 1.00 0.00 O ATOM 416 CG2 THR A 32 1.125 9.302 11.003 1.00 0.00 C ATOM 0 H THR A 32 -1.226 8.176 12.907 1.00 0.00 H new ATOM 0 HA THR A 32 -0.329 6.906 10.358 1.00 0.00 H new ATOM 0 HB THR A 32 1.935 7.306 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.190 8.486 13.122 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.105 9.765 11.121 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.856 9.286 9.947 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.383 9.876 11.558 1.00 0.00 H new ATOM 424 N VAL A 33 0.699 4.944 11.808 1.00 0.00 N ATOM 425 CA VAL A 33 0.768 3.636 12.436 1.00 0.00 C ATOM 426 C VAL A 33 2.227 3.306 12.759 1.00 0.00 C ATOM 427 O VAL A 33 3.102 3.447 11.906 1.00 0.00 O ATOM 428 CB VAL A 33 0.102 2.589 11.540 1.00 0.00 C ATOM 429 CG1 VAL A 33 -1.317 3.016 11.159 1.00 0.00 C ATOM 430 CG2 VAL A 33 0.946 2.320 10.292 1.00 0.00 C ATOM 0 H VAL A 33 1.411 5.114 11.098 1.00 0.00 H new ATOM 0 HA VAL A 33 0.219 3.635 13.377 1.00 0.00 H new ATOM 0 HB VAL A 33 0.032 1.660 12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.767 2.255 10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.916 3.135 12.062 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.280 3.963 10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.451 1.573 9.672 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.061 3.244 9.725 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.928 1.952 10.589 1.00 0.00 H new ATOM 440 N GLY A 34 2.443 2.873 13.992 1.00 0.00 N ATOM 441 CA GLY A 34 3.781 2.521 14.438 1.00 0.00 C ATOM 442 C GLY A 34 4.640 3.772 14.631 1.00 0.00 C ATOM 443 O GLY A 34 4.125 4.840 14.958 1.00 0.00 O ATOM 0 H GLY A 34 1.714 2.758 14.696 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.722 1.967 15.375 1.00 0.00 H new ATOM 0 HA3 GLY A 34 4.250 1.862 13.708 1.00 0.00 H new ATOM 447 N SER A 35 5.936 3.599 14.419 1.00 0.00 N ATOM 448 CA SER A 35 6.873 4.701 14.566 1.00 0.00 C ATOM 449 C SER A 35 7.174 5.316 13.198 1.00 0.00 C ATOM 450 O SER A 35 8.127 6.081 13.055 1.00 0.00 O ATOM 451 CB SER A 35 8.168 4.237 15.237 1.00 0.00 C ATOM 452 OG SER A 35 8.874 3.292 14.437 1.00 0.00 O ATOM 0 H SER A 35 6.360 2.712 14.146 1.00 0.00 H new ATOM 0 HA SER A 35 6.416 5.457 15.205 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.807 5.099 15.428 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.936 3.792 16.204 1.00 0.00 H new ATOM 0 HG SER A 35 9.695 3.021 14.898 1.00 0.00 H new ATOM 458 N ASN A 36 6.344 4.960 12.229 1.00 0.00 N ATOM 459 CA ASN A 36 6.510 5.469 10.878 1.00 0.00 C ATOM 460 C ASN A 36 5.482 6.573 10.623 1.00 0.00 C ATOM 461 O ASN A 36 4.846 7.060 11.557 1.00 0.00 O ATOM 462 CB ASN A 36 6.284 4.366 9.842 1.00 0.00 C ATOM 463 CG ASN A 36 7.616 3.839 9.303 1.00 0.00 C ATOM 464 OD1 ASN A 36 8.681 4.119 9.827 1.00 0.00 O ATOM 465 ND2 ASN A 36 7.495 3.064 8.228 1.00 0.00 N ATOM 0 H ASN A 36 5.555 4.326 12.352 1.00 0.00 H new ATOM 0 HA ASN A 36 7.527 5.850 10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 36 5.721 3.549 10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.682 4.752 9.020 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.326 2.664 7.792 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.572 2.870 7.840 1.00 0.00 H new ATOM 472 N SER A 37 5.351 6.935 9.356 1.00 0.00 N ATOM 473 CA SER A 37 4.411 7.973 8.967 1.00 0.00 C ATOM 474 C SER A 37 3.429 7.428 7.930 1.00 0.00 C ATOM 475 O SER A 37 3.081 8.120 6.974 1.00 0.00 O ATOM 476 CB SER A 37 5.141 9.199 8.414 1.00 0.00 C ATOM 477 OG SER A 37 5.401 9.080 7.018 1.00 0.00 O ATOM 0 H SER A 37 5.880 6.528 8.585 1.00 0.00 H new ATOM 0 HA SER A 37 3.858 8.283 9.854 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.542 10.091 8.597 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.082 9.332 8.948 1.00 0.00 H new ATOM 0 HG SER A 37 4.553 9.061 6.528 1.00 0.00 H new ATOM 483 N TYR A 38 3.009 6.191 8.152 1.00 0.00 N ATOM 484 CA TYR A 38 2.073 5.544 7.248 1.00 0.00 C ATOM 485 C TYR A 38 0.640 5.656 7.770 1.00 0.00 C ATOM 486 O TYR A 38 0.411 5.637 8.979 1.00 0.00 O ATOM 487 CB TYR A 38 2.475 4.068 7.210 1.00 0.00 C ATOM 488 CG TYR A 38 3.843 3.811 6.577 1.00 0.00 C ATOM 489 CD1 TYR A 38 4.899 4.658 6.847 1.00 0.00 C ATOM 490 CD2 TYR A 38 4.023 2.732 5.735 1.00 0.00 C ATOM 491 CE1 TYR A 38 6.187 4.417 6.250 1.00 0.00 C ATOM 492 CE2 TYR A 38 5.311 2.491 5.138 1.00 0.00 C ATOM 493 CZ TYR A 38 6.330 3.345 5.426 1.00 0.00 C ATOM 494 OH TYR A 38 7.546 3.117 4.862 1.00 0.00 O ATOM 0 H TYR A 38 3.300 5.619 8.945 1.00 0.00 H new ATOM 0 HA TYR A 38 2.105 6.012 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.478 3.677 8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.720 3.511 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.759 5.502 7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.198 2.068 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.021 5.073 6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.465 1.651 4.477 1.00 0.00 H new ATOM 0 HH TYR A 38 7.500 2.317 4.298 1.00 0.00 H new ATOM 504 N PRO A 39 -0.315 5.776 6.808 1.00 0.00 N ATOM 505 CA PRO A 39 0.040 5.791 5.399 1.00 0.00 C ATOM 506 C PRO A 39 0.657 7.135 5.004 1.00 0.00 C ATOM 507 O PRO A 39 0.937 7.970 5.861 1.00 0.00 O ATOM 508 CB PRO A 39 -1.256 5.493 4.663 1.00 0.00 C ATOM 509 CG PRO A 39 -2.372 5.780 5.653 1.00 0.00 C ATOM 510 CD PRO A 39 -1.752 5.899 7.035 1.00 0.00 C ATOM 0 HA PRO A 39 0.802 5.053 5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.353 6.116 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.286 4.456 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.890 6.701 5.387 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -3.113 4.981 5.635 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.999 6.854 7.499 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.116 5.117 7.701 1.00 0.00 H new ATOM 518 N HIS A 40 0.850 7.301 3.703 1.00 0.00 N ATOM 519 CA HIS A 40 1.428 8.529 3.183 1.00 0.00 C ATOM 520 C HIS A 40 1.545 8.436 1.660 1.00 0.00 C ATOM 521 O HIS A 40 1.484 7.346 1.095 1.00 0.00 O ATOM 522 CB HIS A 40 2.764 8.831 3.864 1.00 0.00 C ATOM 523 CG HIS A 40 3.866 7.860 3.510 1.00 0.00 C ATOM 524 ND1 HIS A 40 4.593 7.948 2.335 1.00 0.00 N ATOM 525 CD2 HIS A 40 4.358 6.784 4.187 1.00 0.00 C ATOM 526 CE1 HIS A 40 5.479 6.963 2.318 1.00 0.00 C ATOM 527 NE2 HIS A 40 5.331 6.241 3.465 1.00 0.00 N ATOM 0 H HIS A 40 0.616 6.606 2.994 1.00 0.00 H new ATOM 0 HA HIS A 40 0.773 9.370 3.411 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.080 9.838 3.592 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.620 8.823 4.944 1.00 0.00 H new ATOM 0 HD1 HIS A 40 4.468 8.651 1.607 1.00 0.00 H new ATOM 0 HD2 HIS A 40 4.014 6.432 5.149 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.194 6.766 1.533 1.00 0.00 H new ATOM 536 N LYS A 41 1.712 9.596 1.041 1.00 0.00 N ATOM 537 CA LYS A 41 1.837 9.659 -0.405 1.00 0.00 C ATOM 538 C LYS A 41 2.798 8.567 -0.878 1.00 0.00 C ATOM 539 O LYS A 41 3.491 7.952 -0.068 1.00 0.00 O ATOM 540 CB LYS A 41 2.242 11.067 -0.846 1.00 0.00 C ATOM 541 CG LYS A 41 1.429 11.516 -2.062 1.00 0.00 C ATOM 542 CD LYS A 41 1.118 13.013 -1.991 1.00 0.00 C ATOM 543 CE LYS A 41 2.397 13.844 -2.100 1.00 0.00 C ATOM 544 NZ LYS A 41 2.859 14.263 -0.757 1.00 0.00 N ATOM 0 H LYS A 41 1.764 10.498 1.514 1.00 0.00 H new ATOM 0 HA LYS A 41 0.875 9.465 -0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.091 11.767 -0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.305 11.085 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.983 11.299 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.499 10.950 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.434 13.285 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.612 13.239 -1.052 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.175 13.262 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.215 14.723 -2.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.499 15.078 -0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.039 14.530 -0.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.364 13.476 -0.302 1.00 0.00 H new ATOM 558 N TYR A 42 2.810 8.358 -2.186 1.00 0.00 N ATOM 559 CA TYR A 42 3.675 7.350 -2.776 1.00 0.00 C ATOM 560 C TYR A 42 4.068 7.733 -4.204 1.00 0.00 C ATOM 561 O TYR A 42 4.600 6.910 -4.947 1.00 0.00 O ATOM 562 CB TYR A 42 2.853 6.060 -2.816 1.00 0.00 C ATOM 563 CG TYR A 42 3.467 4.957 -3.679 1.00 0.00 C ATOM 564 CD1 TYR A 42 4.345 4.050 -3.119 1.00 0.00 C ATOM 565 CD2 TYR A 42 3.143 4.868 -5.018 1.00 0.00 C ATOM 566 CE1 TYR A 42 4.923 3.012 -3.931 1.00 0.00 C ATOM 567 CE2 TYR A 42 3.722 3.829 -5.831 1.00 0.00 C ATOM 568 CZ TYR A 42 4.583 2.953 -5.247 1.00 0.00 C ATOM 569 OH TYR A 42 5.129 1.972 -6.016 1.00 0.00 O ATOM 0 H TYR A 42 2.234 8.870 -2.855 1.00 0.00 H new ATOM 0 HA TYR A 42 4.592 7.244 -2.196 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.732 5.687 -1.799 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.856 6.288 -3.192 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.598 4.120 -2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.456 5.577 -5.456 1.00 0.00 H new ATOM 0 HE1 TYR A 42 5.611 2.296 -3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 42 3.478 3.748 -6.880 1.00 0.00 H new ATOM 0 HH TYR A 42 5.684 2.376 -6.716 1.00 0.00 H new ATOM 579 N ASN A 43 3.792 8.983 -4.545 1.00 0.00 N ATOM 580 CA ASN A 43 4.110 9.486 -5.871 1.00 0.00 C ATOM 581 C ASN A 43 4.930 8.437 -6.625 1.00 0.00 C ATOM 582 O ASN A 43 6.159 8.489 -6.630 1.00 0.00 O ATOM 583 CB ASN A 43 4.943 10.766 -5.788 1.00 0.00 C ATOM 584 CG ASN A 43 4.061 12.006 -5.959 1.00 0.00 C ATOM 585 OD1 ASN A 43 3.967 12.590 -7.026 1.00 0.00 O ATOM 586 ND2 ASN A 43 3.423 12.371 -4.851 1.00 0.00 N ATOM 0 H ASN A 43 3.351 9.663 -3.926 1.00 0.00 H new ATOM 0 HA ASN A 43 3.173 9.698 -6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.455 10.809 -4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.713 10.754 -6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.809 13.186 -4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.547 11.836 -3.991 1.00 0.00 H new ATOM 593 N ASN A 44 4.215 7.508 -7.244 1.00 0.00 N ATOM 594 CA ASN A 44 4.862 6.449 -8.001 1.00 0.00 C ATOM 595 C ASN A 44 5.827 7.066 -9.014 1.00 0.00 C ATOM 596 O ASN A 44 5.687 8.233 -9.379 1.00 0.00 O ATOM 597 CB ASN A 44 3.834 5.618 -8.773 1.00 0.00 C ATOM 598 CG ASN A 44 3.426 6.319 -10.070 1.00 0.00 C ATOM 599 OD1 ASN A 44 2.373 6.927 -10.173 1.00 0.00 O ATOM 600 ND2 ASN A 44 4.316 6.201 -11.051 1.00 0.00 N ATOM 0 H ASN A 44 3.196 7.467 -7.237 1.00 0.00 H new ATOM 0 HA ASN A 44 5.391 5.807 -7.297 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.251 4.637 -9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.954 5.453 -8.152 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.137 6.634 -11.957 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.178 5.678 -10.897 1.00 0.00 H new ATOM 607 N TYR A 45 6.786 6.257 -9.439 1.00 0.00 N ATOM 608 CA TYR A 45 7.775 6.710 -10.402 1.00 0.00 C ATOM 609 C TYR A 45 8.564 5.530 -10.973 1.00 0.00 C ATOM 610 O TYR A 45 8.810 5.468 -12.177 1.00 0.00 O ATOM 611 CB TYR A 45 8.730 7.622 -9.629 1.00 0.00 C ATOM 612 CG TYR A 45 8.376 9.108 -9.712 1.00 0.00 C ATOM 613 CD1 TYR A 45 7.386 9.534 -10.573 1.00 0.00 C ATOM 614 CD2 TYR A 45 9.048 10.022 -8.926 1.00 0.00 C ATOM 615 CE1 TYR A 45 7.052 10.932 -10.651 1.00 0.00 C ATOM 616 CE2 TYR A 45 8.715 11.420 -9.005 1.00 0.00 C ATOM 617 CZ TYR A 45 7.734 11.807 -9.863 1.00 0.00 C ATOM 618 OH TYR A 45 7.419 13.127 -9.937 1.00 0.00 O ATOM 0 H TYR A 45 6.899 5.290 -9.134 1.00 0.00 H new ATOM 0 HA TYR A 45 7.293 7.221 -11.236 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.738 7.319 -8.582 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.741 7.478 -10.010 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.861 8.818 -11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.823 9.688 -8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.278 11.278 -11.320 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.233 12.146 -8.396 1.00 0.00 H new ATOM 0 HH TYR A 45 7.985 13.634 -9.318 1.00 0.00 H new ATOM 628 N GLU A 46 8.939 4.624 -10.082 1.00 0.00 N ATOM 629 CA GLU A 46 9.696 3.450 -10.483 1.00 0.00 C ATOM 630 C GLU A 46 9.115 2.857 -11.768 1.00 0.00 C ATOM 631 O GLU A 46 9.801 2.130 -12.486 1.00 0.00 O ATOM 632 CB GLU A 46 9.724 2.408 -9.363 1.00 0.00 C ATOM 633 CG GLU A 46 10.402 2.968 -8.111 1.00 0.00 C ATOM 634 CD GLU A 46 11.400 4.070 -8.473 1.00 0.00 C ATOM 635 OE1 GLU A 46 12.553 3.710 -8.791 1.00 0.00 O ATOM 636 OE2 GLU A 46 10.985 5.249 -8.423 1.00 0.00 O ATOM 0 H GLU A 46 8.733 4.679 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 46 10.724 3.754 -10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.707 2.099 -9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.255 1.519 -9.702 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.648 3.365 -7.431 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.917 2.166 -7.582 1.00 0.00 H new ATOM 643 N GLY A 47 7.858 3.188 -12.020 1.00 0.00 N ATOM 644 CA GLY A 47 7.176 2.698 -13.206 1.00 0.00 C ATOM 645 C GLY A 47 5.989 1.809 -12.829 1.00 0.00 C ATOM 646 O GLY A 47 5.919 0.653 -13.242 1.00 0.00 O ATOM 0 H GLY A 47 7.293 3.791 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.828 3.540 -13.804 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.875 2.135 -13.825 1.00 0.00 H new ATOM 650 N PHE A 48 5.086 2.385 -12.048 1.00 0.00 N ATOM 651 CA PHE A 48 3.906 1.659 -11.611 1.00 0.00 C ATOM 652 C PHE A 48 2.687 2.034 -12.457 1.00 0.00 C ATOM 653 O PHE A 48 2.432 3.212 -12.697 1.00 0.00 O ATOM 654 CB PHE A 48 3.646 2.062 -10.157 1.00 0.00 C ATOM 655 CG PHE A 48 4.660 1.496 -9.164 1.00 0.00 C ATOM 656 CD1 PHE A 48 4.468 0.264 -8.622 1.00 0.00 C ATOM 657 CD2 PHE A 48 5.757 2.225 -8.823 1.00 0.00 C ATOM 658 CE1 PHE A 48 5.411 -0.261 -7.699 1.00 0.00 C ATOM 659 CE2 PHE A 48 6.701 1.700 -7.900 1.00 0.00 C ATOM 660 CZ PHE A 48 6.507 0.468 -7.357 1.00 0.00 C ATOM 0 H PHE A 48 5.148 3.344 -11.707 1.00 0.00 H new ATOM 0 HA PHE A 48 4.070 0.586 -11.713 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.651 3.150 -10.086 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.648 1.729 -9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.598 -0.316 -8.893 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.910 3.203 -9.254 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.258 -1.240 -7.268 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.572 2.279 -7.630 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.223 0.069 -6.654 1.00 0.00 H new ATOM 670 N ASP A 49 1.967 1.008 -12.886 1.00 0.00 N ATOM 671 CA ASP A 49 0.782 1.215 -13.701 1.00 0.00 C ATOM 672 C ASP A 49 -0.458 1.195 -12.805 1.00 0.00 C ATOM 673 O ASP A 49 -1.210 0.223 -12.799 1.00 0.00 O ATOM 674 CB ASP A 49 0.629 0.103 -14.743 1.00 0.00 C ATOM 675 CG ASP A 49 1.940 -0.532 -15.208 1.00 0.00 C ATOM 676 OD1 ASP A 49 2.826 0.241 -15.632 1.00 0.00 O ATOM 677 OD2 ASP A 49 2.027 -1.776 -15.128 1.00 0.00 O ATOM 0 H ASP A 49 2.181 0.031 -12.685 1.00 0.00 H new ATOM 0 HA ASP A 49 0.885 2.174 -14.208 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.008 -0.678 -14.328 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.111 0.509 -15.612 1.00 0.00 H new ATOM 682 N PHE A 50 -0.632 2.282 -12.068 1.00 0.00 N ATOM 683 CA PHE A 50 -1.768 2.404 -11.169 1.00 0.00 C ATOM 684 C PHE A 50 -3.026 2.831 -11.929 1.00 0.00 C ATOM 685 O PHE A 50 -3.128 3.973 -12.374 1.00 0.00 O ATOM 686 CB PHE A 50 -1.415 3.484 -10.144 1.00 0.00 C ATOM 687 CG PHE A 50 -0.309 3.077 -9.169 1.00 0.00 C ATOM 688 CD1 PHE A 50 0.116 1.786 -9.121 1.00 0.00 C ATOM 689 CD2 PHE A 50 0.251 4.006 -8.348 1.00 0.00 C ATOM 690 CE1 PHE A 50 1.143 1.409 -8.215 1.00 0.00 C ATOM 691 CE2 PHE A 50 1.277 3.629 -7.443 1.00 0.00 C ATOM 692 CZ PHE A 50 1.701 2.339 -7.396 1.00 0.00 C ATOM 0 H PHE A 50 -0.005 3.087 -12.075 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.971 1.444 -10.695 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.106 4.385 -10.673 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.310 3.739 -9.577 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.328 1.047 -9.772 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.086 5.032 -8.385 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.480 0.384 -8.177 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.721 4.367 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.482 2.052 -6.707 1.00 0.00 H new ATOM 702 N SER A 51 -3.950 1.890 -12.054 1.00 0.00 N ATOM 703 CA SER A 51 -5.197 2.155 -12.752 1.00 0.00 C ATOM 704 C SER A 51 -6.117 3.008 -11.877 1.00 0.00 C ATOM 705 O SER A 51 -7.339 2.921 -11.985 1.00 0.00 O ATOM 706 CB SER A 51 -5.896 0.852 -13.144 1.00 0.00 C ATOM 707 OG SER A 51 -6.292 0.094 -12.005 1.00 0.00 O ATOM 0 H SER A 51 -3.861 0.944 -11.684 1.00 0.00 H new ATOM 0 HA SER A 51 -4.967 2.702 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.773 1.079 -13.750 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.227 0.254 -13.763 1.00 0.00 H new ATOM 0 HG SER A 51 -6.736 -0.729 -12.298 1.00 0.00 H new ATOM 713 N VAL A 52 -5.494 3.812 -11.027 1.00 0.00 N ATOM 714 CA VAL A 52 -6.241 4.679 -10.133 1.00 0.00 C ATOM 715 C VAL A 52 -5.695 6.105 -10.238 1.00 0.00 C ATOM 716 O VAL A 52 -4.558 6.308 -10.662 1.00 0.00 O ATOM 717 CB VAL A 52 -6.197 4.125 -8.708 1.00 0.00 C ATOM 718 CG1 VAL A 52 -6.559 2.639 -8.685 1.00 0.00 C ATOM 719 CG2 VAL A 52 -4.827 4.365 -8.069 1.00 0.00 C ATOM 0 H VAL A 52 -4.480 3.881 -10.939 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.292 4.711 -10.422 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.941 4.660 -8.118 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.520 2.271 -7.660 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.565 2.504 -9.081 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.850 2.082 -9.298 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.822 3.962 -7.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.058 3.869 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.624 5.435 -8.034 1.00 0.00 H new ATOM 729 N SER A 53 -6.530 7.054 -9.843 1.00 0.00 N ATOM 730 CA SER A 53 -6.145 8.455 -9.887 1.00 0.00 C ATOM 731 C SER A 53 -5.445 8.847 -8.584 1.00 0.00 C ATOM 732 O SER A 53 -5.736 8.289 -7.528 1.00 0.00 O ATOM 733 CB SER A 53 -7.360 9.353 -10.127 1.00 0.00 C ATOM 734 OG SER A 53 -7.731 9.394 -11.502 1.00 0.00 O ATOM 0 H SER A 53 -7.472 6.881 -9.491 1.00 0.00 H new ATOM 0 HA SER A 53 -5.455 8.593 -10.719 1.00 0.00 H new ATOM 0 HB2 SER A 53 -8.201 8.991 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.138 10.363 -9.781 1.00 0.00 H new ATOM 0 HG SER A 53 -8.511 9.976 -11.613 1.00 0.00 H new ATOM 740 N SER A 54 -4.535 9.803 -8.703 1.00 0.00 N ATOM 741 CA SER A 54 -3.791 10.275 -7.547 1.00 0.00 C ATOM 742 C SER A 54 -4.685 11.157 -6.674 1.00 0.00 C ATOM 743 O SER A 54 -5.812 11.473 -7.053 1.00 0.00 O ATOM 744 CB SER A 54 -2.540 11.046 -7.976 1.00 0.00 C ATOM 745 OG SER A 54 -2.771 12.450 -8.027 1.00 0.00 O ATOM 0 H SER A 54 -4.296 10.263 -9.581 1.00 0.00 H new ATOM 0 HA SER A 54 -3.471 9.409 -6.968 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.728 10.837 -7.279 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.216 10.696 -8.956 1.00 0.00 H new ATOM 0 HG SER A 54 -1.949 12.907 -8.303 1.00 0.00 H new ATOM 751 N PRO A 55 -4.134 11.539 -5.491 1.00 0.00 N ATOM 752 CA PRO A 55 -2.794 11.120 -5.119 1.00 0.00 C ATOM 753 C PRO A 55 -2.777 9.652 -4.691 1.00 0.00 C ATOM 754 O PRO A 55 -3.805 9.104 -4.295 1.00 0.00 O ATOM 755 CB PRO A 55 -2.381 12.068 -4.004 1.00 0.00 C ATOM 756 CG PRO A 55 -3.670 12.678 -3.476 1.00 0.00 C ATOM 757 CD PRO A 55 -4.772 12.377 -4.479 1.00 0.00 C ATOM 0 HA PRO A 55 -2.091 11.173 -5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -1.849 11.535 -3.215 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.708 12.840 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.918 12.261 -2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.557 13.754 -3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.607 11.860 -4.006 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.170 13.293 -4.917 1.00 0.00 H new ATOM 765 N TYR A 56 -1.598 9.055 -4.787 1.00 0.00 N ATOM 766 CA TYR A 56 -1.434 7.660 -4.415 1.00 0.00 C ATOM 767 C TYR A 56 -0.891 7.531 -2.991 1.00 0.00 C ATOM 768 O TYR A 56 0.130 8.132 -2.656 1.00 0.00 O ATOM 769 CB TYR A 56 -0.410 7.081 -5.393 1.00 0.00 C ATOM 770 CG TYR A 56 -0.884 7.051 -6.848 1.00 0.00 C ATOM 771 CD1 TYR A 56 -2.216 6.829 -7.134 1.00 0.00 C ATOM 772 CD2 TYR A 56 0.018 7.249 -7.872 1.00 0.00 C ATOM 773 CE1 TYR A 56 -2.663 6.802 -8.503 1.00 0.00 C ATOM 774 CE2 TYR A 56 -0.429 7.222 -9.240 1.00 0.00 C ATOM 775 CZ TYR A 56 -1.747 6.999 -9.489 1.00 0.00 C ATOM 776 OH TYR A 56 -2.169 6.974 -10.781 1.00 0.00 O ATOM 0 H TYR A 56 -0.748 9.512 -5.117 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.390 7.138 -4.452 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.507 7.668 -5.333 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.160 6.067 -5.082 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.923 6.676 -6.332 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.060 7.424 -7.648 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.702 6.629 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.267 7.376 -10.051 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.928 6.360 -10.865 1.00 0.00 H new ATOM 786 N TYR A 57 -1.595 6.745 -2.191 1.00 0.00 N ATOM 787 CA TYR A 57 -1.196 6.532 -0.810 1.00 0.00 C ATOM 788 C TYR A 57 -0.636 5.121 -0.613 1.00 0.00 C ATOM 789 O TYR A 57 -1.307 4.135 -0.917 1.00 0.00 O ATOM 790 CB TYR A 57 -2.468 6.683 0.025 1.00 0.00 C ATOM 791 CG TYR A 57 -3.188 8.019 -0.173 1.00 0.00 C ATOM 792 CD1 TYR A 57 -2.518 9.086 -0.738 1.00 0.00 C ATOM 793 CD2 TYR A 57 -4.506 8.157 0.213 1.00 0.00 C ATOM 794 CE1 TYR A 57 -3.195 10.343 -0.925 1.00 0.00 C ATOM 795 CE2 TYR A 57 -5.182 9.415 0.026 1.00 0.00 C ATOM 796 CZ TYR A 57 -4.494 10.445 -0.533 1.00 0.00 C ATOM 797 OH TYR A 57 -5.133 11.633 -0.710 1.00 0.00 O ATOM 0 H TYR A 57 -2.440 6.247 -2.472 1.00 0.00 H new ATOM 0 HA TYR A 57 -0.420 7.241 -0.521 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.153 5.873 -0.225 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -2.214 6.572 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.487 8.978 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.030 7.322 0.655 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.683 11.186 -1.366 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.213 9.537 0.324 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.766 12.297 -0.090 1.00 0.00 H new ATOM 807 N GLU A 58 0.587 5.070 -0.107 1.00 0.00 N ATOM 808 CA GLU A 58 1.244 3.796 0.133 1.00 0.00 C ATOM 809 C GLU A 58 0.982 3.325 1.565 1.00 0.00 C ATOM 810 O GLU A 58 1.188 4.078 2.517 1.00 0.00 O ATOM 811 CB GLU A 58 2.745 3.893 -0.146 1.00 0.00 C ATOM 812 CG GLU A 58 3.398 4.963 0.730 1.00 0.00 C ATOM 813 CD GLU A 58 4.895 5.076 0.435 1.00 0.00 C ATOM 814 OE1 GLU A 58 5.641 4.209 0.942 1.00 0.00 O ATOM 815 OE2 GLU A 58 5.261 6.025 -0.291 1.00 0.00 O ATOM 0 H GLU A 58 1.140 5.890 0.143 1.00 0.00 H new ATOM 0 HA GLU A 58 0.827 3.059 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.216 2.928 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.908 4.129 -1.197 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.916 5.925 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.249 4.718 1.782 1.00 0.00 H new ATOM 822 N TRP A 59 0.532 2.085 1.674 1.00 0.00 N ATOM 823 CA TRP A 59 0.239 1.505 2.974 1.00 0.00 C ATOM 824 C TRP A 59 0.623 0.024 2.928 1.00 0.00 C ATOM 825 O TRP A 59 0.528 -0.614 1.881 1.00 0.00 O ATOM 826 CB TRP A 59 -1.224 1.732 3.358 1.00 0.00 C ATOM 827 CG TRP A 59 -1.707 0.853 4.515 1.00 0.00 C ATOM 828 CD1 TRP A 59 -2.336 -0.328 4.446 1.00 0.00 C ATOM 829 CD2 TRP A 59 -1.574 1.136 5.923 1.00 0.00 C ATOM 830 NE1 TRP A 59 -2.617 -0.825 5.702 1.00 0.00 N ATOM 831 CE2 TRP A 59 -2.139 0.093 6.629 1.00 0.00 C ATOM 832 CE3 TRP A 59 -0.995 2.236 6.579 1.00 0.00 C ATOM 833 CZ2 TRP A 59 -2.180 0.049 8.027 1.00 0.00 C ATOM 834 CZ3 TRP A 59 -1.045 2.176 7.978 1.00 0.00 C ATOM 835 CH2 TRP A 59 -1.610 1.134 8.703 1.00 0.00 C ATOM 0 H TRP A 59 0.363 1.464 0.883 1.00 0.00 H new ATOM 0 HA TRP A 59 0.823 1.992 3.755 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -1.360 2.779 3.629 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.851 1.545 2.486 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -2.591 -0.828 3.523 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.089 -1.705 5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.547 3.062 6.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.628 -0.779 8.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -0.614 2.997 8.532 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -1.609 1.161 9.783 1.00 0.00 H new ATOM 846 N PRO A 60 1.058 -0.493 4.108 1.00 0.00 N ATOM 847 CA PRO A 60 1.456 -1.886 4.213 1.00 0.00 C ATOM 848 C PRO A 60 0.234 -2.807 4.221 1.00 0.00 C ATOM 849 O PRO A 60 -0.852 -2.399 4.630 1.00 0.00 O ATOM 850 CB PRO A 60 2.270 -1.968 5.494 1.00 0.00 C ATOM 851 CG PRO A 60 1.909 -0.729 6.297 1.00 0.00 C ATOM 852 CD PRO A 60 1.183 0.232 5.370 1.00 0.00 C ATOM 0 HA PRO A 60 2.047 -2.219 3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.034 -2.876 6.049 1.00 0.00 H new ATOM 0 HB3 PRO A 60 3.338 -1.996 5.277 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.276 -0.994 7.144 1.00 0.00 H new ATOM 0 HG3 PRO A 60 2.806 -0.263 6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.206 0.504 5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 60 1.744 1.158 5.241 1.00 0.00 H new ATOM 860 N ILE A 61 0.452 -4.031 3.765 1.00 0.00 N ATOM 861 CA ILE A 61 -0.618 -5.013 3.715 1.00 0.00 C ATOM 862 C ILE A 61 -0.201 -6.257 4.501 1.00 0.00 C ATOM 863 O ILE A 61 0.745 -6.947 4.121 1.00 0.00 O ATOM 864 CB ILE A 61 -1.011 -5.304 2.265 1.00 0.00 C ATOM 865 CG1 ILE A 61 -2.214 -6.246 2.201 1.00 0.00 C ATOM 866 CG2 ILE A 61 0.182 -5.844 1.472 1.00 0.00 C ATOM 867 CD1 ILE A 61 -2.464 -6.720 0.768 1.00 0.00 C ATOM 0 H ILE A 61 1.354 -4.366 3.427 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.517 -4.621 4.192 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.312 -4.366 1.798 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.041 -7.106 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.100 -5.736 2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.124 -6.043 0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.985 -5.107 1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.536 -6.768 1.930 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.325 -7.388 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.660 -5.859 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.585 -7.251 0.402 1.00 0.00 H new ATOM 879 N LEU A 62 -0.925 -6.506 5.582 1.00 0.00 N ATOM 880 CA LEU A 62 -0.642 -7.655 6.424 1.00 0.00 C ATOM 881 C LEU A 62 -1.330 -8.892 5.842 1.00 0.00 C ATOM 882 O LEU A 62 -2.550 -8.910 5.684 1.00 0.00 O ATOM 883 CB LEU A 62 -1.026 -7.363 7.877 1.00 0.00 C ATOM 884 CG LEU A 62 -0.166 -6.325 8.602 1.00 0.00 C ATOM 885 CD1 LEU A 62 -0.857 -5.837 9.876 1.00 0.00 C ATOM 886 CD2 LEU A 62 1.234 -6.873 8.882 1.00 0.00 C ATOM 0 H LEU A 62 -1.708 -5.931 5.894 1.00 0.00 H new ATOM 0 HA LEU A 62 0.428 -7.862 6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.062 -7.025 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.984 -8.297 8.438 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.048 -5.461 7.948 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.226 -5.100 10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.813 -5.381 9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.025 -6.681 10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.825 -6.116 9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.158 -7.762 9.508 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.718 -7.132 7.940 1.00 0.00 H new ATOM 898 N SER A 63 -0.519 -9.894 5.541 1.00 0.00 N ATOM 899 CA SER A 63 -1.036 -11.131 4.979 1.00 0.00 C ATOM 900 C SER A 63 -2.012 -11.784 5.961 1.00 0.00 C ATOM 901 O SER A 63 -2.671 -12.766 5.626 1.00 0.00 O ATOM 902 CB SER A 63 0.100 -12.098 4.639 1.00 0.00 C ATOM 903 OG SER A 63 1.283 -11.413 4.238 1.00 0.00 O ATOM 0 H SER A 63 0.492 -9.876 5.675 1.00 0.00 H new ATOM 0 HA SER A 63 -1.564 -10.893 4.055 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.318 -12.720 5.507 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.220 -12.767 3.840 1.00 0.00 H new ATOM 0 HG SER A 63 1.219 -11.177 3.289 1.00 0.00 H new ATOM 909 N SER A 64 -2.072 -11.211 7.154 1.00 0.00 N ATOM 910 CA SER A 64 -2.957 -11.724 8.187 1.00 0.00 C ATOM 911 C SER A 64 -4.331 -11.062 8.075 1.00 0.00 C ATOM 912 O SER A 64 -5.319 -11.586 8.587 1.00 0.00 O ATOM 913 CB SER A 64 -2.368 -11.494 9.581 1.00 0.00 C ATOM 914 OG SER A 64 -1.558 -12.588 10.005 1.00 0.00 O ATOM 0 H SER A 64 -1.523 -10.397 7.429 1.00 0.00 H new ATOM 0 HA SER A 64 -3.066 -12.799 8.041 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.772 -10.582 9.577 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.177 -11.343 10.296 1.00 0.00 H new ATOM 0 HG SER A 64 -1.199 -12.403 10.898 1.00 0.00 H new ATOM 920 N GLY A 65 -4.350 -9.920 7.405 1.00 0.00 N ATOM 921 CA GLY A 65 -5.587 -9.180 7.220 1.00 0.00 C ATOM 922 C GLY A 65 -5.827 -8.214 8.382 1.00 0.00 C ATOM 923 O GLY A 65 -6.965 -8.010 8.799 1.00 0.00 O ATOM 0 H GLY A 65 -3.528 -9.488 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.546 -8.624 6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -6.423 -9.875 7.142 1.00 0.00 H new ATOM 927 N ASP A 66 -4.735 -7.645 8.871 1.00 0.00 N ATOM 928 CA ASP A 66 -4.811 -6.705 9.977 1.00 0.00 C ATOM 929 C ASP A 66 -4.422 -5.310 9.482 1.00 0.00 C ATOM 930 O ASP A 66 -4.239 -5.101 8.285 1.00 0.00 O ATOM 931 CB ASP A 66 -3.849 -7.095 11.099 1.00 0.00 C ATOM 932 CG ASP A 66 -4.245 -8.346 11.885 1.00 0.00 C ATOM 933 OD1 ASP A 66 -4.619 -9.338 11.222 1.00 0.00 O ATOM 934 OD2 ASP A 66 -4.164 -8.285 13.131 1.00 0.00 O ATOM 0 H ASP A 66 -3.792 -7.817 8.522 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.832 -6.715 10.359 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.859 -7.252 10.670 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.767 -6.259 11.793 1.00 0.00 H new ATOM 939 N VAL A 67 -4.305 -4.392 10.432 1.00 0.00 N ATOM 940 CA VAL A 67 -3.941 -3.023 10.108 1.00 0.00 C ATOM 941 C VAL A 67 -2.537 -2.735 10.645 1.00 0.00 C ATOM 942 O VAL A 67 -2.345 -2.610 11.852 1.00 0.00 O ATOM 943 CB VAL A 67 -4.998 -2.059 10.647 1.00 0.00 C ATOM 944 CG1 VAL A 67 -4.462 -0.626 10.690 1.00 0.00 C ATOM 945 CG2 VAL A 67 -6.285 -2.139 9.825 1.00 0.00 C ATOM 0 H VAL A 67 -4.456 -4.570 11.425 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.912 -2.879 9.028 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.235 -2.359 11.668 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.234 0.040 11.077 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.587 -0.584 11.339 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.183 -0.312 9.684 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.019 -1.443 10.230 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.071 -1.878 8.788 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.683 -3.153 9.870 1.00 0.00 H new ATOM 955 N TYR A 68 -1.594 -2.635 9.720 1.00 0.00 N ATOM 956 CA TYR A 68 -0.214 -2.362 10.084 1.00 0.00 C ATOM 957 C TYR A 68 -0.138 -1.328 11.209 1.00 0.00 C ATOM 958 O TYR A 68 -0.877 -0.345 11.203 1.00 0.00 O ATOM 959 CB TYR A 68 0.448 -1.785 8.831 1.00 0.00 C ATOM 960 CG TYR A 68 1.812 -1.142 9.088 1.00 0.00 C ATOM 961 CD1 TYR A 68 2.829 -1.883 9.654 1.00 0.00 C ATOM 962 CD2 TYR A 68 2.025 0.180 8.755 1.00 0.00 C ATOM 963 CE1 TYR A 68 4.113 -1.278 9.896 1.00 0.00 C ATOM 964 CE2 TYR A 68 3.308 0.786 8.996 1.00 0.00 C ATOM 965 CZ TYR A 68 4.290 0.028 9.555 1.00 0.00 C ATOM 966 OH TYR A 68 5.502 0.600 9.784 1.00 0.00 O ATOM 0 H TYR A 68 -1.758 -2.738 8.719 1.00 0.00 H new ATOM 0 HA TYR A 68 0.277 -3.270 10.435 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.566 -2.581 8.096 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -0.216 -1.041 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.662 -2.917 9.916 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.228 0.760 8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.917 -1.847 10.338 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.487 1.819 8.739 1.00 0.00 H new ATOM 0 HH TYR A 68 5.378 1.459 10.239 1.00 0.00 H new ATOM 976 N SER A 69 0.761 -1.585 12.148 1.00 0.00 N ATOM 977 CA SER A 69 0.943 -0.689 13.276 1.00 0.00 C ATOM 978 C SER A 69 2.398 -0.729 13.748 1.00 0.00 C ATOM 979 O SER A 69 2.674 -1.085 14.892 1.00 0.00 O ATOM 980 CB SER A 69 0.002 -1.054 14.426 1.00 0.00 C ATOM 981 OG SER A 69 0.504 -2.137 15.203 1.00 0.00 O ATOM 0 H SER A 69 1.372 -2.402 12.150 1.00 0.00 H new ATOM 0 HA SER A 69 0.701 0.323 12.951 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.142 -0.184 15.067 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.976 -1.319 14.024 1.00 0.00 H new ATOM 0 HG SER A 69 1.357 -1.879 15.611 1.00 0.00 H new ATOM 987 N GLY A 70 3.290 -0.358 12.841 1.00 0.00 N ATOM 988 CA GLY A 70 4.710 -0.346 13.150 1.00 0.00 C ATOM 989 C GLY A 70 5.475 0.555 12.180 1.00 0.00 C ATOM 990 O GLY A 70 4.960 1.585 11.746 1.00 0.00 O ATOM 0 H GLY A 70 3.057 -0.064 11.893 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.860 0.003 14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.106 -1.360 13.098 1.00 0.00 H new ATOM 994 N GLY A 71 6.692 0.136 11.866 1.00 0.00 N ATOM 995 CA GLY A 71 7.533 0.893 10.955 1.00 0.00 C ATOM 996 C GLY A 71 8.028 0.012 9.806 1.00 0.00 C ATOM 997 O GLY A 71 8.225 0.494 8.691 1.00 0.00 O ATOM 0 H GLY A 71 7.116 -0.719 12.227 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.973 1.738 10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 71 8.385 1.303 11.497 1.00 0.00 H new ATOM 1001 N SER A 72 8.214 -1.261 10.116 1.00 0.00 N ATOM 1002 CA SER A 72 8.682 -2.214 9.123 1.00 0.00 C ATOM 1003 C SER A 72 7.612 -3.278 8.875 1.00 0.00 C ATOM 1004 O SER A 72 7.669 -4.366 9.447 1.00 0.00 O ATOM 1005 CB SER A 72 9.992 -2.870 9.563 1.00 0.00 C ATOM 1006 OG SER A 72 9.808 -3.733 10.681 1.00 0.00 O ATOM 0 H SER A 72 8.049 -1.656 11.042 1.00 0.00 H new ATOM 0 HA SER A 72 8.872 -1.675 8.195 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.410 -3.438 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.717 -2.097 9.817 1.00 0.00 H new ATOM 0 HG SER A 72 9.125 -4.403 10.468 1.00 0.00 H new ATOM 1012 N PRO A 73 6.635 -2.919 7.999 1.00 0.00 N ATOM 1013 CA PRO A 73 5.555 -3.833 7.668 1.00 0.00 C ATOM 1014 C PRO A 73 6.039 -4.938 6.728 1.00 0.00 C ATOM 1015 O PRO A 73 5.358 -5.280 5.762 1.00 0.00 O ATOM 1016 CB PRO A 73 4.477 -2.957 7.050 1.00 0.00 C ATOM 1017 CG PRO A 73 5.172 -1.672 6.632 1.00 0.00 C ATOM 1018 CD PRO A 73 6.536 -1.641 7.303 1.00 0.00 C ATOM 0 HA PRO A 73 5.170 -4.363 8.539 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.018 -3.449 6.193 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.680 -2.755 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.279 -1.631 5.548 1.00 0.00 H new ATOM 0 HG3 PRO A 73 4.581 -0.805 6.927 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.335 -1.526 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.617 -0.805 7.997 1.00 0.00 H new ATOM 1026 N GLY A 74 7.211 -5.468 7.045 1.00 0.00 N ATOM 1027 CA GLY A 74 7.795 -6.529 6.241 1.00 0.00 C ATOM 1028 C GLY A 74 8.277 -5.992 4.893 1.00 0.00 C ATOM 1029 O GLY A 74 9.375 -5.445 4.795 1.00 0.00 O ATOM 0 H GLY A 74 7.772 -5.183 7.847 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.631 -6.979 6.777 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.058 -7.316 6.081 1.00 0.00 H new ATOM 1033 N ALA A 75 7.433 -6.168 3.885 1.00 0.00 N ATOM 1034 CA ALA A 75 7.760 -5.707 2.546 1.00 0.00 C ATOM 1035 C ALA A 75 6.467 -5.436 1.775 1.00 0.00 C ATOM 1036 O ALA A 75 6.388 -4.480 1.005 1.00 0.00 O ATOM 1037 CB ALA A 75 8.647 -6.744 1.853 1.00 0.00 C ATOM 0 H ALA A 75 6.524 -6.623 3.969 1.00 0.00 H new ATOM 0 HA ALA A 75 8.321 -4.773 2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.893 -6.399 0.849 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.565 -6.878 2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.116 -7.694 1.791 1.00 0.00 H new ATOM 1043 N ASP A 76 5.486 -6.295 2.009 1.00 0.00 N ATOM 1044 CA ASP A 76 4.200 -6.160 1.345 1.00 0.00 C ATOM 1045 C ASP A 76 3.591 -4.800 1.695 1.00 0.00 C ATOM 1046 O ASP A 76 3.557 -4.414 2.862 1.00 0.00 O ATOM 1047 CB ASP A 76 3.226 -7.247 1.805 1.00 0.00 C ATOM 1048 CG ASP A 76 3.852 -8.627 2.016 1.00 0.00 C ATOM 1049 OD1 ASP A 76 4.707 -8.997 1.183 1.00 0.00 O ATOM 1050 OD2 ASP A 76 3.460 -9.282 3.006 1.00 0.00 O ATOM 0 H ASP A 76 5.555 -7.087 2.649 1.00 0.00 H new ATOM 0 HA ASP A 76 4.363 -6.253 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.763 -6.928 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.428 -7.335 1.067 1.00 0.00 H new ATOM 1055 N ARG A 77 3.125 -4.114 0.663 1.00 0.00 N ATOM 1056 CA ARG A 77 2.518 -2.806 0.846 1.00 0.00 C ATOM 1057 C ARG A 77 1.481 -2.543 -0.248 1.00 0.00 C ATOM 1058 O ARG A 77 1.657 -2.967 -1.389 1.00 0.00 O ATOM 1059 CB ARG A 77 3.574 -1.699 0.815 1.00 0.00 C ATOM 1060 CG ARG A 77 4.813 -2.101 1.617 1.00 0.00 C ATOM 1061 CD ARG A 77 4.816 -1.433 2.993 1.00 0.00 C ATOM 1062 NE ARG A 77 6.205 -1.129 3.406 1.00 0.00 N ATOM 1063 CZ ARG A 77 7.013 -2.002 4.021 1.00 0.00 C ATOM 1064 NH1 ARG A 77 6.577 -3.238 4.299 1.00 0.00 N ATOM 1065 NH2 ARG A 77 8.258 -1.640 4.359 1.00 0.00 N ATOM 0 H ARG A 77 3.155 -4.439 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 77 2.031 -2.801 1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.856 -1.490 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.154 -0.780 1.223 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.839 -3.184 1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.712 -1.818 1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.228 -0.516 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.345 -2.089 3.726 1.00 0.00 H new ATOM 0 HE ARG A 77 6.569 -0.197 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.629 -3.514 4.042 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.193 -3.903 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 77 8.591 -0.699 4.148 1.00 0.00 H new ATOM 0 HH22 ARG A 77 8.873 -2.305 4.827 1.00 0.00 H new ATOM 1079 N VAL A 78 0.424 -1.845 0.139 1.00 0.00 N ATOM 1080 CA VAL A 78 -0.642 -1.521 -0.794 1.00 0.00 C ATOM 1081 C VAL A 78 -0.668 -0.009 -1.027 1.00 0.00 C ATOM 1082 O VAL A 78 -0.504 0.770 -0.089 1.00 0.00 O ATOM 1083 CB VAL A 78 -1.974 -2.069 -0.279 1.00 0.00 C ATOM 1084 CG1 VAL A 78 -2.051 -3.586 -0.461 1.00 0.00 C ATOM 1085 CG2 VAL A 78 -2.197 -1.681 1.185 1.00 0.00 C ATOM 0 H VAL A 78 0.283 -1.494 1.086 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.462 -1.996 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.772 -1.620 -0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.008 -3.949 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.959 -3.831 -1.519 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.241 -4.060 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.151 -2.083 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.392 -2.089 1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.207 -0.595 1.276 1.00 0.00 H new ATOM 1095 N VAL A 79 -0.873 0.360 -2.282 1.00 0.00 N ATOM 1096 CA VAL A 79 -0.922 1.765 -2.650 1.00 0.00 C ATOM 1097 C VAL A 79 -2.333 2.114 -3.128 1.00 0.00 C ATOM 1098 O VAL A 79 -2.949 1.347 -3.867 1.00 0.00 O ATOM 1099 CB VAL A 79 0.155 2.071 -3.693 1.00 0.00 C ATOM 1100 CG1 VAL A 79 0.040 3.512 -4.194 1.00 0.00 C ATOM 1101 CG2 VAL A 79 1.552 1.793 -3.136 1.00 0.00 C ATOM 0 H VAL A 79 -1.007 -0.289 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.707 2.393 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.004 1.408 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.817 3.703 -4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.939 3.662 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.160 4.199 -3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.299 2.019 -3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.726 2.419 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.628 0.743 -2.853 1.00 0.00 H new ATOM 1111 N PHE A 80 -2.803 3.272 -2.689 1.00 0.00 N ATOM 1112 CA PHE A 80 -4.130 3.731 -3.062 1.00 0.00 C ATOM 1113 C PHE A 80 -4.181 5.259 -3.133 1.00 0.00 C ATOM 1114 O PHE A 80 -3.151 5.912 -3.291 1.00 0.00 O ATOM 1115 CB PHE A 80 -5.092 3.251 -1.974 1.00 0.00 C ATOM 1116 CG PHE A 80 -4.885 3.926 -0.617 1.00 0.00 C ATOM 1117 CD1 PHE A 80 -3.751 3.688 0.095 1.00 0.00 C ATOM 1118 CD2 PHE A 80 -5.836 4.764 -0.123 1.00 0.00 C ATOM 1119 CE1 PHE A 80 -3.559 4.315 1.354 1.00 0.00 C ATOM 1120 CE2 PHE A 80 -5.643 5.390 1.137 1.00 0.00 C ATOM 1121 CZ PHE A 80 -4.509 5.153 1.849 1.00 0.00 C ATOM 0 H PHE A 80 -2.288 3.906 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 80 -4.397 3.339 -4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -6.115 3.429 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -4.979 2.174 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.997 3.022 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.737 4.953 -0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -2.658 4.127 1.919 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.398 6.055 1.530 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.363 5.630 2.807 1.00 0.00 H new ATOM 1131 N ASN A 81 -5.391 5.785 -3.012 1.00 0.00 N ATOM 1132 CA ASN A 81 -5.590 7.223 -3.061 1.00 0.00 C ATOM 1133 C ASN A 81 -6.644 7.623 -2.025 1.00 0.00 C ATOM 1134 O ASN A 81 -7.060 6.803 -1.209 1.00 0.00 O ATOM 1135 CB ASN A 81 -6.089 7.665 -4.438 1.00 0.00 C ATOM 1136 CG ASN A 81 -5.688 6.655 -5.516 1.00 0.00 C ATOM 1137 OD1 ASN A 81 -4.778 6.873 -6.298 1.00 0.00 O ATOM 1138 ND2 ASN A 81 -6.415 5.542 -5.512 1.00 0.00 N ATOM 0 H ASN A 81 -6.243 5.241 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.633 7.703 -2.854 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.174 7.771 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -5.677 8.645 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -6.225 4.806 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -7.163 5.424 -4.829 1.00 0.00 H new ATOM 1145 N GLU A 82 -7.046 8.884 -2.094 1.00 0.00 N ATOM 1146 CA GLU A 82 -8.043 9.402 -1.173 1.00 0.00 C ATOM 1147 C GLU A 82 -9.451 9.152 -1.719 1.00 0.00 C ATOM 1148 O GLU A 82 -10.425 9.703 -1.207 1.00 0.00 O ATOM 1149 CB GLU A 82 -7.817 10.890 -0.900 1.00 0.00 C ATOM 1150 CG GLU A 82 -9.013 11.501 -0.168 1.00 0.00 C ATOM 1151 CD GLU A 82 -9.421 10.640 1.029 1.00 0.00 C ATOM 1152 OE1 GLU A 82 -8.555 10.440 1.907 1.00 0.00 O ATOM 1153 OE2 GLU A 82 -10.593 10.202 1.039 1.00 0.00 O ATOM 0 H GLU A 82 -6.699 9.562 -2.773 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.943 8.873 -0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.915 11.021 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.655 11.416 -1.841 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.762 12.506 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.854 11.597 -0.855 1.00 0.00 H new ATOM 1160 N ASN A 83 -9.512 8.323 -2.750 1.00 0.00 N ATOM 1161 CA ASN A 83 -10.784 7.994 -3.371 1.00 0.00 C ATOM 1162 C ASN A 83 -11.220 6.597 -2.921 1.00 0.00 C ATOM 1163 O ASN A 83 -12.406 6.273 -2.955 1.00 0.00 O ATOM 1164 CB ASN A 83 -10.666 7.984 -4.896 1.00 0.00 C ATOM 1165 CG ASN A 83 -9.201 7.946 -5.333 1.00 0.00 C ATOM 1166 OD1 ASN A 83 -8.532 8.961 -5.445 1.00 0.00 O ATOM 1167 ND2 ASN A 83 -8.739 6.722 -5.572 1.00 0.00 N ATOM 0 H ASN A 83 -8.701 7.869 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.511 8.748 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.192 7.119 -5.299 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.149 8.870 -5.307 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.772 6.591 -5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.352 5.914 -5.459 1.00 0.00 H new ATOM 1174 N ASN A 84 -10.237 5.809 -2.512 1.00 0.00 N ATOM 1175 CA ASN A 84 -10.504 4.456 -2.056 1.00 0.00 C ATOM 1176 C ASN A 84 -10.099 3.465 -3.150 1.00 0.00 C ATOM 1177 O ASN A 84 -10.609 2.346 -3.199 1.00 0.00 O ATOM 1178 CB ASN A 84 -11.993 4.255 -1.766 1.00 0.00 C ATOM 1179 CG ASN A 84 -12.756 3.890 -3.040 1.00 0.00 C ATOM 1180 OD1 ASN A 84 -13.794 3.249 -3.011 1.00 0.00 O ATOM 1181 ND2 ASN A 84 -12.186 4.331 -4.158 1.00 0.00 N ATOM 0 H ASN A 84 -9.254 6.082 -2.487 1.00 0.00 H new ATOM 0 HA ASN A 84 -9.933 4.290 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.119 3.467 -1.024 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.410 5.166 -1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.618 4.138 -5.061 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.317 4.862 -4.112 1.00 0.00 H new ATOM 1188 N GLN A 85 -9.185 3.912 -3.999 1.00 0.00 N ATOM 1189 CA GLN A 85 -8.706 3.078 -5.088 1.00 0.00 C ATOM 1190 C GLN A 85 -7.290 2.580 -4.792 1.00 0.00 C ATOM 1191 O GLN A 85 -6.428 3.356 -4.386 1.00 0.00 O ATOM 1192 CB GLN A 85 -8.755 3.833 -6.419 1.00 0.00 C ATOM 1193 CG GLN A 85 -10.192 4.208 -6.783 1.00 0.00 C ATOM 1194 CD GLN A 85 -10.224 5.137 -7.999 1.00 0.00 C ATOM 1195 OE1 GLN A 85 -10.741 4.806 -9.053 1.00 0.00 O ATOM 1196 NE2 GLN A 85 -9.643 6.317 -7.794 1.00 0.00 N ATOM 0 H GLN A 85 -8.764 4.840 -3.955 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.364 2.213 -5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.146 4.734 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.326 3.215 -7.208 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.765 3.305 -6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.670 4.697 -5.934 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.229 6.531 -6.887 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -9.612 7.007 -8.544 1.00 0.00 H new ATOM 1205 N LEU A 86 -7.095 1.287 -5.007 1.00 0.00 N ATOM 1206 CA LEU A 86 -5.798 0.676 -4.769 1.00 0.00 C ATOM 1207 C LEU A 86 -4.912 0.873 -6.000 1.00 0.00 C ATOM 1208 O LEU A 86 -5.341 0.619 -7.124 1.00 0.00 O ATOM 1209 CB LEU A 86 -5.963 -0.788 -4.357 1.00 0.00 C ATOM 1210 CG LEU A 86 -5.452 -1.827 -5.358 1.00 0.00 C ATOM 1211 CD1 LEU A 86 -4.322 -2.662 -4.753 1.00 0.00 C ATOM 1212 CD2 LEU A 86 -6.597 -2.703 -5.873 1.00 0.00 C ATOM 0 H LEU A 86 -7.813 0.646 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.295 1.163 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.445 -0.939 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.021 -0.977 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.039 -1.298 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.977 -3.392 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.495 -2.008 -4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.687 -3.181 -3.867 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.206 -3.432 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.062 -3.224 -5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.340 -2.077 -6.368 1.00 0.00 H new ATOM 1224 N ALA A 87 -3.692 1.323 -5.745 1.00 0.00 N ATOM 1225 CA ALA A 87 -2.742 1.557 -6.819 1.00 0.00 C ATOM 1226 C ALA A 87 -2.223 0.214 -7.336 1.00 0.00 C ATOM 1227 O ALA A 87 -2.035 0.038 -8.540 1.00 0.00 O ATOM 1228 CB ALA A 87 -1.615 2.462 -6.316 1.00 0.00 C ATOM 0 H ALA A 87 -3.340 1.532 -4.811 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.224 2.068 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.902 2.638 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.032 3.414 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.107 1.980 -5.481 1.00 0.00 H new ATOM 1234 N GLY A 88 -2.005 -0.701 -6.402 1.00 0.00 N ATOM 1235 CA GLY A 88 -1.512 -2.022 -6.748 1.00 0.00 C ATOM 1236 C GLY A 88 -1.063 -2.785 -5.501 1.00 0.00 C ATOM 1237 O GLY A 88 -1.740 -2.756 -4.475 1.00 0.00 O ATOM 0 H GLY A 88 -2.161 -0.552 -5.405 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.294 -2.583 -7.260 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.677 -1.932 -7.443 1.00 0.00 H new ATOM 1241 N VAL A 89 0.076 -3.449 -5.630 1.00 0.00 N ATOM 1242 CA VAL A 89 0.623 -4.218 -4.525 1.00 0.00 C ATOM 1243 C VAL A 89 2.151 -4.204 -4.607 1.00 0.00 C ATOM 1244 O VAL A 89 2.749 -5.068 -5.248 1.00 0.00 O ATOM 1245 CB VAL A 89 0.037 -5.631 -4.530 1.00 0.00 C ATOM 1246 CG1 VAL A 89 0.689 -6.499 -3.451 1.00 0.00 C ATOM 1247 CG2 VAL A 89 -1.484 -5.594 -4.359 1.00 0.00 C ATOM 0 H VAL A 89 0.635 -3.470 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 89 0.344 -3.769 -3.572 1.00 0.00 H new ATOM 0 HB VAL A 89 0.255 -6.081 -5.499 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.254 -7.498 -3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.761 -6.565 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.516 -6.053 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.876 -6.611 -4.366 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.732 -5.116 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.929 -5.028 -5.178 1.00 0.00 H new ATOM 1257 N ILE A 90 2.738 -3.216 -3.950 1.00 0.00 N ATOM 1258 CA ILE A 90 4.186 -3.079 -3.941 1.00 0.00 C ATOM 1259 C ILE A 90 4.766 -3.924 -2.805 1.00 0.00 C ATOM 1260 O ILE A 90 4.033 -4.383 -1.931 1.00 0.00 O ATOM 1261 CB ILE A 90 4.583 -1.603 -3.875 1.00 0.00 C ATOM 1262 CG1 ILE A 90 4.228 -1.000 -2.514 1.00 0.00 C ATOM 1263 CG2 ILE A 90 3.963 -0.815 -5.029 1.00 0.00 C ATOM 1264 CD1 ILE A 90 4.087 0.521 -2.608 1.00 0.00 C ATOM 0 H ILE A 90 2.239 -2.502 -3.420 1.00 0.00 H new ATOM 0 HA ILE A 90 4.611 -3.458 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 90 5.665 -1.536 -3.985 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.296 -1.434 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.000 -1.253 -1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.262 0.231 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 90 4.308 -1.227 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.877 -0.886 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.834 0.924 -1.627 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.028 0.953 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 90 3.297 0.770 -3.317 1.00 0.00 H new ATOM 1276 N THR A 91 6.078 -4.104 -2.857 1.00 0.00 N ATOM 1277 CA THR A 91 6.765 -4.887 -1.844 1.00 0.00 C ATOM 1278 C THR A 91 8.261 -4.562 -1.843 1.00 0.00 C ATOM 1279 O THR A 91 8.823 -4.210 -2.879 1.00 0.00 O ATOM 1280 CB THR A 91 6.465 -6.364 -2.102 1.00 0.00 C ATOM 1281 OG1 THR A 91 7.600 -7.046 -1.579 1.00 0.00 O ATOM 1282 CG2 THR A 91 6.474 -6.712 -3.592 1.00 0.00 C ATOM 0 H THR A 91 6.683 -3.721 -3.584 1.00 0.00 H new ATOM 0 HA THR A 91 6.409 -4.639 -0.844 1.00 0.00 H new ATOM 0 HB THR A 91 5.494 -6.616 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.305 -7.834 -1.077 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.255 -7.772 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 91 5.717 -6.121 -4.108 1.00 0.00 H new ATOM 0 HG23 THR A 91 7.456 -6.491 -4.011 1.00 0.00 H new ATOM 1290 N HIS A 92 8.861 -4.691 -0.669 1.00 0.00 N ATOM 1291 CA HIS A 92 10.280 -4.416 -0.520 1.00 0.00 C ATOM 1292 C HIS A 92 11.092 -5.545 -1.159 1.00 0.00 C ATOM 1293 O HIS A 92 12.284 -5.685 -0.893 1.00 0.00 O ATOM 1294 CB HIS A 92 10.638 -4.188 0.949 1.00 0.00 C ATOM 1295 CG HIS A 92 10.216 -2.838 1.482 1.00 0.00 C ATOM 1296 ND1 HIS A 92 11.023 -2.071 2.304 1.00 0.00 N ATOM 1297 CD2 HIS A 92 9.065 -2.128 1.300 1.00 0.00 C ATOM 1298 CE1 HIS A 92 10.377 -0.953 2.599 1.00 0.00 C ATOM 1299 NE2 HIS A 92 9.163 -0.990 1.976 1.00 0.00 N ATOM 0 H HIS A 92 8.391 -4.982 0.188 1.00 0.00 H new ATOM 0 HA HIS A 92 10.531 -3.493 -1.043 1.00 0.00 H new ATOM 0 HB2 HIS A 92 10.171 -4.967 1.551 1.00 0.00 H new ATOM 0 HB3 HIS A 92 11.716 -4.294 1.070 1.00 0.00 H new ATOM 0 HD2 HIS A 92 8.218 -2.439 0.707 1.00 0.00 H new ATOM 0 HE1 HIS A 92 10.746 -0.152 3.223 1.00 0.00 H new ATOM 0 HE2 HIS A 92 8.449 -0.263 2.022 1.00 0.00 H new ATOM 1308 N THR A 93 10.413 -6.321 -1.991 1.00 0.00 N ATOM 1309 CA THR A 93 11.056 -7.433 -2.671 1.00 0.00 C ATOM 1310 C THR A 93 12.230 -6.934 -3.515 1.00 0.00 C ATOM 1311 O THR A 93 13.120 -6.254 -3.007 1.00 0.00 O ATOM 1312 CB THR A 93 9.989 -8.168 -3.486 1.00 0.00 C ATOM 1313 OG1 THR A 93 9.053 -8.616 -2.511 1.00 0.00 O ATOM 1314 CG2 THR A 93 10.520 -9.458 -4.114 1.00 0.00 C ATOM 0 H THR A 93 9.424 -6.202 -2.210 1.00 0.00 H new ATOM 0 HA THR A 93 11.485 -8.138 -1.960 1.00 0.00 H new ATOM 0 HB THR A 93 9.613 -7.510 -4.269 1.00 0.00 H new ATOM 0 HG1 THR A 93 8.611 -7.843 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 93 9.724 -9.941 -4.681 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.350 -9.223 -4.781 1.00 0.00 H new ATOM 0 HG23 THR A 93 10.865 -10.130 -3.328 1.00 0.00 H new ATOM 1322 N GLY A 94 12.195 -7.293 -4.790 1.00 0.00 N ATOM 1323 CA GLY A 94 13.246 -6.891 -5.710 1.00 0.00 C ATOM 1324 C GLY A 94 13.204 -5.384 -5.966 1.00 0.00 C ATOM 1325 O GLY A 94 13.222 -4.945 -7.114 1.00 0.00 O ATOM 0 H GLY A 94 11.455 -7.858 -5.208 1.00 0.00 H new ATOM 0 HA2 GLY A 94 14.218 -7.167 -5.300 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.134 -7.427 -6.653 1.00 0.00 H new ATOM 1329 N ALA A 95 13.148 -4.632 -4.876 1.00 0.00 N ATOM 1330 CA ALA A 95 13.103 -3.183 -4.968 1.00 0.00 C ATOM 1331 C ALA A 95 14.521 -2.644 -5.166 1.00 0.00 C ATOM 1332 O ALA A 95 14.713 -1.612 -5.808 1.00 0.00 O ATOM 1333 CB ALA A 95 12.432 -2.612 -3.717 1.00 0.00 C ATOM 0 H ALA A 95 13.133 -5.000 -3.925 1.00 0.00 H new ATOM 0 HA ALA A 95 12.509 -2.872 -5.827 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.398 -1.525 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.417 -3.002 -3.638 1.00 0.00 H new ATOM 0 HB3 ALA A 95 13.002 -2.902 -2.834 1.00 0.00 H new ATOM 1339 N SER A 96 15.478 -3.366 -4.603 1.00 0.00 N ATOM 1340 CA SER A 96 16.873 -2.973 -4.709 1.00 0.00 C ATOM 1341 C SER A 96 17.189 -1.880 -3.687 1.00 0.00 C ATOM 1342 O SER A 96 17.962 -0.966 -3.970 1.00 0.00 O ATOM 1343 CB SER A 96 17.202 -2.489 -6.123 1.00 0.00 C ATOM 1344 OG SER A 96 18.598 -2.567 -6.402 1.00 0.00 O ATOM 0 H SER A 96 15.315 -4.221 -4.072 1.00 0.00 H new ATOM 0 HA SER A 96 17.491 -3.846 -4.499 1.00 0.00 H new ATOM 0 HB2 SER A 96 16.653 -3.089 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 96 16.865 -1.459 -6.241 1.00 0.00 H new ATOM 0 HG SER A 96 19.096 -2.065 -5.724 1.00 0.00 H new ATOM 1350 N GLY A 97 16.575 -2.011 -2.520 1.00 0.00 N ATOM 1351 CA GLY A 97 16.781 -1.045 -1.454 1.00 0.00 C ATOM 1352 C GLY A 97 15.489 -0.813 -0.668 1.00 0.00 C ATOM 1353 O GLY A 97 14.798 -1.764 -0.308 1.00 0.00 O ATOM 0 H GLY A 97 15.935 -2.771 -2.289 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.561 -1.401 -0.781 1.00 0.00 H new ATOM 0 HA3 GLY A 97 17.129 -0.102 -1.875 1.00 0.00 H new ATOM 1357 N ASN A 98 15.202 0.457 -0.424 1.00 0.00 N ATOM 1358 CA ASN A 98 14.007 0.827 0.313 1.00 0.00 C ATOM 1359 C ASN A 98 12.895 1.188 -0.675 1.00 0.00 C ATOM 1360 O ASN A 98 11.838 1.675 -0.275 1.00 0.00 O ATOM 1361 CB ASN A 98 14.261 2.045 1.203 1.00 0.00 C ATOM 1362 CG ASN A 98 12.965 2.532 1.852 1.00 0.00 C ATOM 1363 OD1 ASN A 98 12.759 3.713 2.078 1.00 0.00 O ATOM 1364 ND2 ASN A 98 12.104 1.559 2.138 1.00 0.00 N ATOM 0 H ASN A 98 15.778 1.244 -0.724 1.00 0.00 H new ATOM 0 HA ASN A 98 13.721 -0.020 0.936 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.985 1.789 1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.698 2.848 0.610 1.00 0.00 H new ATOM 0 HD21 ASN A 98 11.209 1.782 2.573 1.00 0.00 H new ATOM 0 HD22 ASN A 98 12.339 0.590 1.922 1.00 0.00 H new ATOM 1371 N ASN A 99 13.172 0.935 -1.946 1.00 0.00 N ATOM 1372 CA ASN A 99 12.208 1.227 -2.993 1.00 0.00 C ATOM 1373 C ASN A 99 11.033 0.254 -2.885 1.00 0.00 C ATOM 1374 O ASN A 99 10.875 -0.423 -1.871 1.00 0.00 O ATOM 1375 CB ASN A 99 12.834 1.059 -4.380 1.00 0.00 C ATOM 1376 CG ASN A 99 14.359 1.173 -4.310 1.00 0.00 C ATOM 1377 OD1 ASN A 99 14.940 2.220 -4.541 1.00 0.00 O ATOM 1378 ND2 ASN A 99 14.971 0.040 -3.979 1.00 0.00 N ATOM 0 H ASN A 99 14.049 0.531 -2.274 1.00 0.00 H new ATOM 0 HA ASN A 99 11.877 2.258 -2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.557 0.089 -4.793 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.439 1.818 -5.056 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.988 0.012 -3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.424 -0.801 -3.799 1.00 0.00 H new ATOM 1385 N PHE A 100 10.238 0.216 -3.944 1.00 0.00 N ATOM 1386 CA PHE A 100 9.081 -0.662 -3.981 1.00 0.00 C ATOM 1387 C PHE A 100 8.901 -1.274 -5.372 1.00 0.00 C ATOM 1388 O PHE A 100 9.513 -0.820 -6.338 1.00 0.00 O ATOM 1389 CB PHE A 100 7.857 0.195 -3.653 1.00 0.00 C ATOM 1390 CG PHE A 100 7.691 0.496 -2.161 1.00 0.00 C ATOM 1391 CD1 PHE A 100 7.420 -0.513 -1.290 1.00 0.00 C ATOM 1392 CD2 PHE A 100 7.815 1.772 -1.707 1.00 0.00 C ATOM 1393 CE1 PHE A 100 7.265 -0.233 0.094 1.00 0.00 C ATOM 1394 CE2 PHE A 100 7.662 2.051 -0.323 1.00 0.00 C ATOM 1395 CZ PHE A 100 7.390 1.043 0.548 1.00 0.00 C ATOM 0 H PHE A 100 10.372 0.780 -4.784 1.00 0.00 H new ATOM 0 HA PHE A 100 9.210 -1.476 -3.268 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.929 1.136 -4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 100 6.963 -0.314 -4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 100 7.323 -1.526 -1.650 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.030 2.573 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 100 7.048 -1.033 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 100 7.762 3.064 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 100 7.273 1.256 1.600 1.00 0.00 H new ATOM 1405 N VAL A 101 8.059 -2.295 -5.430 1.00 0.00 N ATOM 1406 CA VAL A 101 7.791 -2.974 -6.687 1.00 0.00 C ATOM 1407 C VAL A 101 6.501 -3.787 -6.557 1.00 0.00 C ATOM 1408 O VAL A 101 6.296 -4.478 -5.561 1.00 0.00 O ATOM 1409 CB VAL A 101 8.996 -3.827 -7.088 1.00 0.00 C ATOM 1410 CG1 VAL A 101 10.229 -2.953 -7.331 1.00 0.00 C ATOM 1411 CG2 VAL A 101 9.284 -4.900 -6.037 1.00 0.00 C ATOM 0 H VAL A 101 7.553 -2.669 -4.627 1.00 0.00 H new ATOM 0 HA VAL A 101 7.641 -2.250 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 101 8.752 -4.332 -8.023 1.00 0.00 H new ATOM 0 HG11 VAL A 101 11.072 -3.583 -7.615 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.020 -2.244 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 101 10.474 -2.408 -6.419 1.00 0.00 H new ATOM 0 HG21 VAL A 101 10.145 -5.492 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 101 9.497 -4.424 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 101 8.415 -5.550 -5.934 1.00 0.00 H new ATOM 1421 N GLU A 102 5.665 -3.676 -7.579 1.00 0.00 N ATOM 1422 CA GLU A 102 4.400 -4.391 -7.592 1.00 0.00 C ATOM 1423 C GLU A 102 4.638 -5.893 -7.421 1.00 0.00 C ATOM 1424 O GLU A 102 5.402 -6.494 -8.174 1.00 0.00 O ATOM 1425 CB GLU A 102 3.620 -4.103 -8.876 1.00 0.00 C ATOM 1426 CG GLU A 102 4.060 -2.776 -9.499 1.00 0.00 C ATOM 1427 CD GLU A 102 2.974 -2.215 -10.419 1.00 0.00 C ATOM 1428 OE1 GLU A 102 1.851 -2.013 -9.912 1.00 0.00 O ATOM 1429 OE2 GLU A 102 3.294 -2.002 -11.609 1.00 0.00 O ATOM 0 H GLU A 102 5.839 -3.102 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 102 3.798 -4.040 -6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.775 -4.913 -9.589 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.553 -4.070 -8.658 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.282 -2.056 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.980 -2.923 -10.064 1.00 0.00 H new ATOM 1436 N CYS A 103 3.969 -6.456 -6.426 1.00 0.00 N ATOM 1437 CA CYS A 103 4.098 -7.876 -6.146 1.00 0.00 C ATOM 1438 C CYS A 103 3.760 -8.650 -7.423 1.00 0.00 C ATOM 1439 O CYS A 103 3.703 -8.071 -8.507 1.00 0.00 O ATOM 1440 CB CYS A 103 3.219 -8.304 -4.971 1.00 0.00 C ATOM 1441 SG CYS A 103 3.543 -7.414 -3.405 1.00 0.00 S ATOM 0 H CYS A 103 3.336 -5.954 -5.803 1.00 0.00 H new ATOM 0 HA CYS A 103 5.122 -8.098 -5.847 1.00 0.00 H new ATOM 0 HB2 CYS A 103 2.174 -8.159 -5.245 1.00 0.00 H new ATOM 0 HB3 CYS A 103 3.359 -9.372 -4.801 1.00 0.00 H new ATOM 0 HG CYS A 103 2.711 -7.823 -2.493 1.00 0.00 H new ATOM 1446 N THR A 104 3.547 -9.946 -7.252 1.00 0.00 N ATOM 1447 CA THR A 104 3.217 -10.805 -8.377 1.00 0.00 C ATOM 1448 C THR A 104 1.754 -11.246 -8.299 1.00 0.00 C ATOM 1449 O THR A 104 1.320 -12.107 -9.063 1.00 0.00 O ATOM 1450 CB THR A 104 4.205 -11.972 -8.387 1.00 0.00 C ATOM 1451 OG1 THR A 104 3.945 -12.657 -7.164 1.00 0.00 O ATOM 1452 CG2 THR A 104 5.658 -11.512 -8.254 1.00 0.00 C ATOM 0 H THR A 104 3.596 -10.423 -6.352 1.00 0.00 H new ATOM 0 HA THR A 104 3.313 -10.273 -9.323 1.00 0.00 H new ATOM 0 HB THR A 104 4.087 -12.538 -9.311 1.00 0.00 H new ATOM 0 HG1 THR A 104 4.415 -12.207 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 104 6.317 -12.380 -8.267 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.909 -10.854 -9.086 1.00 0.00 H new ATOM 0 HG23 THR A 104 5.785 -10.974 -7.315 1.00 0.00 H new TER 1460 THR A 104