USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 749 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 41 GLN :FLIP amide:sc= -0.663 F(o=-2.8,f=-1.8) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.13 K(o=-1.8,f=-4.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 160:sc= -1.63 (180deg=-3.05!) USER MOD Single : A 14 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.28) USER MOD Single : A 15 SER OG : rot 39:sc= 1.16 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 50:sc= 0.1 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -120:sc= -0.37 USER MOD Single : A 62 THR OG1 : rot 174:sc= 0.0109 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 85:sc= 0.0588 USER MOD Single : A 71 TYR OH : rot -101:sc= 0.00186 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 121:sc= 1.39 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0.0649 (180deg=0.0592) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 63:sc= -0.656 USER MOD Single : A 91 SER OG : rot 180:sc= -2.08 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot 34:sc= 0.255 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 120.679 30.983 -5.770 1.00 0.00 N ATOM 2 CA GLY A 1 121.946 31.445 -6.400 1.00 0.00 C ATOM 3 C GLY A 1 122.753 30.303 -6.986 1.00 0.00 C ATOM 4 O GLY A 1 122.711 30.059 -8.191 1.00 0.00 O ATOM 0 H1 GLY A 1 120.165 31.801 -5.385 1.00 0.00 H new ATOM 0 H2 GLY A 1 120.090 30.508 -6.483 1.00 0.00 H new ATOM 0 H3 GLY A 1 120.896 30.317 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 1 121.716 32.164 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 122.548 31.967 -5.657 1.00 0.00 H new ATOM 10 N SER A 2 123.490 29.602 -6.130 1.00 0.00 N ATOM 11 CA SER A 2 124.311 28.479 -6.568 1.00 0.00 C ATOM 12 C SER A 2 124.545 27.497 -5.426 1.00 0.00 C ATOM 13 O SER A 2 125.589 27.525 -4.775 1.00 0.00 O ATOM 14 CB SER A 2 125.652 28.981 -7.110 1.00 0.00 C ATOM 15 OG SER A 2 126.417 27.915 -7.643 1.00 0.00 O ATOM 0 H SER A 2 123.535 29.792 -5.129 1.00 0.00 H new ATOM 0 HA SER A 2 123.777 27.960 -7.364 1.00 0.00 H new ATOM 0 HB2 SER A 2 125.478 29.730 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 2 126.210 29.470 -6.312 1.00 0.00 H new ATOM 0 HG SER A 2 127.268 28.262 -7.984 1.00 0.00 H new ATOM 21 N SER A 3 123.568 26.629 -5.188 1.00 0.00 N ATOM 22 CA SER A 3 123.668 25.638 -4.124 1.00 0.00 C ATOM 23 C SER A 3 122.933 24.356 -4.503 1.00 0.00 C ATOM 24 O SER A 3 121.819 24.107 -4.040 1.00 0.00 O ATOM 25 CB SER A 3 123.099 26.199 -2.820 1.00 0.00 C ATOM 26 OG SER A 3 123.804 25.698 -1.698 1.00 0.00 O ATOM 0 H SER A 3 122.697 26.592 -5.718 1.00 0.00 H new ATOM 0 HA SER A 3 124.722 25.402 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 3 123.157 27.287 -2.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 122.044 25.937 -2.737 1.00 0.00 H new ATOM 0 HG SER A 3 123.422 26.073 -0.877 1.00 0.00 H new ATOM 32 N GLY A 4 123.562 23.546 -5.348 1.00 0.00 N ATOM 33 CA GLY A 4 122.953 22.300 -5.776 1.00 0.00 C ATOM 34 C GLY A 4 123.909 21.127 -5.686 1.00 0.00 C ATOM 35 O GLY A 4 125.081 21.243 -6.045 1.00 0.00 O ATOM 0 H GLY A 4 124.484 23.730 -5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 4 122.076 22.098 -5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 4 122.605 22.403 -6.804 1.00 0.00 H new ATOM 39 N SER A 5 123.408 19.994 -5.206 1.00 0.00 N ATOM 40 CA SER A 5 124.225 18.794 -5.070 1.00 0.00 C ATOM 41 C SER A 5 123.495 17.574 -5.622 1.00 0.00 C ATOM 42 O SER A 5 122.346 17.311 -5.267 1.00 0.00 O ATOM 43 CB SER A 5 124.590 18.563 -3.603 1.00 0.00 C ATOM 44 OG SER A 5 125.250 19.693 -3.058 1.00 0.00 O ATOM 0 H SER A 5 122.440 19.882 -4.905 1.00 0.00 H new ATOM 0 HA SER A 5 125.139 18.940 -5.646 1.00 0.00 H new ATOM 0 HB2 SER A 5 123.687 18.353 -3.029 1.00 0.00 H new ATOM 0 HB3 SER A 5 125.233 17.687 -3.518 1.00 0.00 H new ATOM 0 HG SER A 5 125.472 19.521 -2.119 1.00 0.00 H new ATOM 50 N SER A 6 124.170 16.830 -6.493 1.00 0.00 N ATOM 51 CA SER A 6 123.587 15.637 -7.094 1.00 0.00 C ATOM 52 C SER A 6 123.342 14.561 -6.042 1.00 0.00 C ATOM 53 O SER A 6 122.320 13.877 -6.064 1.00 0.00 O ATOM 54 CB SER A 6 124.502 15.094 -8.194 1.00 0.00 C ATOM 55 OG SER A 6 124.009 13.870 -8.709 1.00 0.00 O ATOM 0 H SER A 6 125.122 17.033 -6.798 1.00 0.00 H new ATOM 0 HA SER A 6 122.629 15.914 -7.533 1.00 0.00 H new ATOM 0 HB2 SER A 6 124.582 15.825 -8.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 125.506 14.947 -7.796 1.00 0.00 H new ATOM 0 HG SER A 6 124.610 13.545 -9.411 1.00 0.00 H new ATOM 61 N GLY A 7 124.290 14.415 -5.121 1.00 0.00 N ATOM 62 CA GLY A 7 124.159 13.420 -4.073 1.00 0.00 C ATOM 63 C GLY A 7 124.966 12.168 -4.358 1.00 0.00 C ATOM 64 O GLY A 7 124.410 11.130 -4.715 1.00 0.00 O ATOM 0 H GLY A 7 125.146 14.968 -5.082 1.00 0.00 H new ATOM 0 HA2 GLY A 7 124.484 13.850 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 7 123.108 13.153 -3.959 1.00 0.00 H new ATOM 68 N LEU A 8 126.282 12.267 -4.199 1.00 0.00 N ATOM 69 CA LEU A 8 127.168 11.136 -4.441 1.00 0.00 C ATOM 70 C LEU A 8 127.444 10.371 -3.149 1.00 0.00 C ATOM 71 O LEU A 8 127.690 9.166 -3.171 1.00 0.00 O ATOM 72 CB LEU A 8 128.485 11.614 -5.055 1.00 0.00 C ATOM 73 CG LEU A 8 128.357 12.279 -6.427 1.00 0.00 C ATOM 74 CD1 LEU A 8 129.663 12.949 -6.820 1.00 0.00 C ATOM 75 CD2 LEU A 8 127.944 11.256 -7.475 1.00 0.00 C ATOM 0 H LEU A 8 126.758 13.120 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 8 126.672 10.463 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 8 128.953 12.320 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 8 129.158 10.761 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 8 127.584 13.045 -6.369 1.00 0.00 H new ATOM 0 HD11 LEU A 8 129.552 13.416 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 8 129.919 13.709 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 8 130.456 12.203 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 8 127.857 11.744 -8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 8 128.696 10.469 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 8 126.983 10.821 -7.200 1.00 0.00 H new ATOM 87 N ALA A 9 127.401 11.081 -2.026 1.00 0.00 N ATOM 88 CA ALA A 9 127.645 10.468 -0.726 1.00 0.00 C ATOM 89 C ALA A 9 129.062 9.911 -0.640 1.00 0.00 C ATOM 90 O ALA A 9 129.282 8.825 -0.104 1.00 0.00 O ATOM 91 CB ALA A 9 126.626 9.371 -0.457 1.00 0.00 C ATOM 0 H ALA A 9 127.200 12.080 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 9 127.538 11.239 0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 9 126.822 8.923 0.517 1.00 0.00 H new ATOM 0 HB2 ALA A 9 125.623 9.796 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 9 126.702 8.606 -1.230 1.00 0.00 H new ATOM 97 N MET A 10 130.020 10.663 -1.171 1.00 0.00 N ATOM 98 CA MET A 10 131.417 10.244 -1.155 1.00 0.00 C ATOM 99 C MET A 10 132.321 11.385 -0.688 1.00 0.00 C ATOM 100 O MET A 10 133.052 11.975 -1.484 1.00 0.00 O ATOM 101 CB MET A 10 131.845 9.772 -2.545 1.00 0.00 C ATOM 102 CG MET A 10 130.834 8.856 -3.215 1.00 0.00 C ATOM 103 SD MET A 10 131.476 8.092 -4.717 1.00 0.00 S ATOM 104 CE MET A 10 131.040 9.327 -5.937 1.00 0.00 C ATOM 0 H MET A 10 129.855 11.565 -1.618 1.00 0.00 H new ATOM 0 HA MET A 10 131.516 9.416 -0.453 1.00 0.00 H new ATOM 0 HB2 MET A 10 132.011 10.642 -3.180 1.00 0.00 H new ATOM 0 HB3 MET A 10 132.798 9.250 -2.465 1.00 0.00 H new ATOM 0 HG2 MET A 10 130.536 8.076 -2.514 1.00 0.00 H new ATOM 0 HG3 MET A 10 129.937 9.427 -3.457 1.00 0.00 H new ATOM 0 HE1 MET A 10 131.656 9.193 -6.826 1.00 0.00 H new ATOM 0 HE2 MET A 10 129.989 9.220 -6.204 1.00 0.00 H new ATOM 0 HE3 MET A 10 131.210 10.322 -5.525 1.00 0.00 H new ATOM 114 N PRO A 11 132.281 11.710 0.616 1.00 0.00 N ATOM 115 CA PRO A 11 133.100 12.784 1.185 1.00 0.00 C ATOM 116 C PRO A 11 134.595 12.556 0.964 1.00 0.00 C ATOM 117 O PRO A 11 135.309 13.464 0.541 1.00 0.00 O ATOM 118 CB PRO A 11 132.769 12.754 2.681 1.00 0.00 C ATOM 119 CG PRO A 11 131.476 12.019 2.785 1.00 0.00 C ATOM 120 CD PRO A 11 131.439 11.057 1.632 1.00 0.00 C ATOM 0 HA PRO A 11 132.884 13.743 0.714 1.00 0.00 H new ATOM 0 HB2 PRO A 11 133.553 12.251 3.247 1.00 0.00 H new ATOM 0 HB3 PRO A 11 132.681 13.763 3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 11 131.406 11.489 3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 11 130.633 12.709 2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 11 131.832 10.079 1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 11 130.422 10.901 1.271 1.00 0.00 H new ATOM 128 N PRO A 12 135.093 11.335 1.242 1.00 0.00 N ATOM 129 CA PRO A 12 136.511 11.009 1.060 1.00 0.00 C ATOM 130 C PRO A 12 136.986 11.295 -0.360 1.00 0.00 C ATOM 131 O PRO A 12 138.180 11.481 -0.600 1.00 0.00 O ATOM 132 CB PRO A 12 136.579 9.506 1.352 1.00 0.00 C ATOM 133 CG PRO A 12 135.386 9.226 2.199 1.00 0.00 C ATOM 134 CD PRO A 12 134.322 10.182 1.744 1.00 0.00 C ATOM 0 HA PRO A 12 137.152 11.608 1.707 1.00 0.00 H new ATOM 0 HB2 PRO A 12 136.555 8.923 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 12 137.502 9.246 1.871 1.00 0.00 H new ATOM 0 HG2 PRO A 12 135.058 8.193 2.082 1.00 0.00 H new ATOM 0 HG3 PRO A 12 135.615 9.370 3.255 1.00 0.00 H new ATOM 0 HD2 PRO A 12 133.697 9.746 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 12 133.660 10.466 2.562 1.00 0.00 H new ATOM 142 N GLY A 13 136.044 11.330 -1.297 1.00 0.00 N ATOM 143 CA GLY A 13 136.385 11.595 -2.682 1.00 0.00 C ATOM 144 C GLY A 13 136.856 10.353 -3.413 1.00 0.00 C ATOM 145 O GLY A 13 137.632 10.440 -4.365 1.00 0.00 O ATOM 0 H GLY A 13 135.051 11.180 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY A 13 135.515 12.006 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 13 137.166 12.354 -2.721 1.00 0.00 H new ATOM 149 N ASN A 14 136.386 9.192 -2.966 1.00 0.00 N ATOM 150 CA ASN A 14 136.765 7.926 -3.585 1.00 0.00 C ATOM 151 C ASN A 14 135.536 7.063 -3.854 1.00 0.00 C ATOM 152 O ASN A 14 135.169 6.832 -5.006 1.00 0.00 O ATOM 153 CB ASN A 14 137.746 7.169 -2.688 1.00 0.00 C ATOM 154 CG ASN A 14 138.934 8.021 -2.284 1.00 0.00 C ATOM 155 OD1 ASN A 14 139.701 8.478 -3.130 1.00 0.00 O ATOM 156 ND2 ASN A 14 139.092 8.236 -0.983 1.00 0.00 N ATOM 0 H ASN A 14 135.743 9.102 -2.179 1.00 0.00 H new ATOM 0 HA ASN A 14 137.249 8.146 -4.537 1.00 0.00 H new ATOM 0 HB2 ASN A 14 137.226 6.827 -1.793 1.00 0.00 H new ATOM 0 HB3 ASN A 14 138.100 6.280 -3.210 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.874 8.800 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.431 7.837 -0.316 1.00 0.00 H new ATOM 163 N SER A 15 134.904 6.590 -2.785 1.00 0.00 N ATOM 164 CA SER A 15 133.717 5.753 -2.908 1.00 0.00 C ATOM 165 C SER A 15 132.994 5.633 -1.570 1.00 0.00 C ATOM 166 O SER A 15 131.949 6.251 -1.359 1.00 0.00 O ATOM 167 CB SER A 15 134.098 4.363 -3.419 1.00 0.00 C ATOM 168 OG SER A 15 134.120 4.328 -4.836 1.00 0.00 O ATOM 0 H SER A 15 135.194 6.772 -1.824 1.00 0.00 H new ATOM 0 HA SER A 15 133.044 6.225 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 15 135.078 4.085 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 15 133.386 3.627 -3.045 1.00 0.00 H new ATOM 0 HG SER A 15 134.494 5.167 -5.178 1.00 0.00 H new ATOM 174 N HIS A 16 133.555 4.836 -0.667 1.00 0.00 N ATOM 175 CA HIS A 16 132.964 4.636 0.651 1.00 0.00 C ATOM 176 C HIS A 16 133.749 5.390 1.720 1.00 0.00 C ATOM 177 O HIS A 16 133.304 6.427 2.214 1.00 0.00 O ATOM 178 CB HIS A 16 132.919 3.145 0.992 1.00 0.00 C ATOM 179 CG HIS A 16 131.652 2.471 0.564 1.00 0.00 C ATOM 180 ND1 HIS A 16 130.421 2.767 1.112 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.427 1.513 -0.365 1.00 0.00 C ATOM 182 CE1 HIS A 16 129.495 2.018 0.539 1.00 0.00 C ATOM 183 NE2 HIS A 16 130.079 1.248 -0.360 1.00 0.00 N ATOM 0 H HIS A 16 134.419 4.317 -0.824 1.00 0.00 H new ATOM 0 HA HIS A 16 131.947 5.028 0.628 1.00 0.00 H new ATOM 0 HB2 HIS A 16 133.764 2.646 0.518 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.040 3.023 2.068 1.00 0.00 H new ATOM 0 HD2 HIS A 16 132.169 1.044 -0.994 1.00 0.00 H new ATOM 0 HE1 HIS A 16 128.440 2.033 0.768 1.00 0.00 H new ATOM 0 HE2 HIS A 16 129.606 0.567 -0.954 1.00 0.00 H new ATOM 192 N GLY A 17 134.916 4.863 2.071 1.00 0.00 N ATOM 193 CA GLY A 17 135.744 5.499 3.079 1.00 0.00 C ATOM 194 C GLY A 17 137.137 4.907 3.143 1.00 0.00 C ATOM 195 O GLY A 17 137.453 4.141 4.056 1.00 0.00 O ATOM 0 H GLY A 17 135.304 4.006 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 17 135.815 6.566 2.866 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.265 5.400 4.053 1.00 0.00 H new ATOM 199 N LEU A 18 137.973 5.258 2.173 1.00 0.00 N ATOM 200 CA LEU A 18 139.341 4.753 2.121 1.00 0.00 C ATOM 201 C LEU A 18 140.327 5.797 2.636 1.00 0.00 C ATOM 202 O LEU A 18 140.741 6.692 1.898 1.00 0.00 O ATOM 203 CB LEU A 18 139.705 4.353 0.691 1.00 0.00 C ATOM 204 CG LEU A 18 138.656 3.503 -0.030 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.908 3.505 -1.530 1.00 0.00 C ATOM 206 CD2 LEU A 18 138.661 2.082 0.512 1.00 0.00 C ATOM 0 H LEU A 18 137.728 5.891 1.411 1.00 0.00 H new ATOM 0 HA LEU A 18 139.402 3.874 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.879 5.258 0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.645 3.802 0.712 1.00 0.00 H new ATOM 0 HG LEU A 18 137.673 3.937 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.153 2.896 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.855 4.527 -1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.897 3.094 -1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 18 137.910 1.490 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 18 139.644 1.637 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.433 2.098 1.578 1.00 0.00 H new ATOM 218 N GLU A 19 140.700 5.676 3.905 1.00 0.00 N ATOM 219 CA GLU A 19 141.638 6.608 4.520 1.00 0.00 C ATOM 220 C GLU A 19 142.630 5.870 5.412 1.00 0.00 C ATOM 221 O GLU A 19 142.538 4.654 5.586 1.00 0.00 O ATOM 222 CB GLU A 19 140.885 7.661 5.337 1.00 0.00 C ATOM 223 CG GLU A 19 139.926 7.069 6.356 1.00 0.00 C ATOM 224 CD GLU A 19 139.298 8.123 7.247 1.00 0.00 C ATOM 225 OE1 GLU A 19 139.963 9.146 7.514 1.00 0.00 O ATOM 226 OE2 GLU A 19 138.142 7.926 7.676 1.00 0.00 O ATOM 0 H GLU A 19 140.367 4.941 4.529 1.00 0.00 H new ATOM 0 HA GLU A 19 142.192 7.105 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 19 141.607 8.292 5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.327 8.306 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.139 6.523 5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.459 6.347 6.974 1.00 0.00 H new ATOM 233 N VAL A 20 143.579 6.610 5.974 1.00 0.00 N ATOM 234 CA VAL A 20 144.588 6.024 6.848 1.00 0.00 C ATOM 235 C VAL A 20 143.947 5.367 8.064 1.00 0.00 C ATOM 236 O VAL A 20 143.135 5.980 8.758 1.00 0.00 O ATOM 237 CB VAL A 20 145.602 7.081 7.324 1.00 0.00 C ATOM 238 CG1 VAL A 20 146.750 6.422 8.073 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.120 7.892 6.146 1.00 0.00 C ATOM 0 H VAL A 20 143.671 7.617 5.840 1.00 0.00 H new ATOM 0 HA VAL A 20 145.111 5.267 6.263 1.00 0.00 H new ATOM 0 HB VAL A 20 145.095 7.761 8.009 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.456 7.185 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.360 5.890 8.941 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.258 5.718 7.414 1.00 0.00 H new ATOM 0 HG21 VAL A 20 146.835 8.634 6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.610 7.228 5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.287 8.397 5.657 1.00 0.00 H new ATOM 249 N GLY A 21 144.315 4.116 8.318 1.00 0.00 N ATOM 250 CA GLY A 21 143.767 3.397 9.453 1.00 0.00 C ATOM 251 C GLY A 21 142.730 2.369 9.043 1.00 0.00 C ATOM 252 O GLY A 21 142.569 1.342 9.702 1.00 0.00 O ATOM 0 H GLY A 21 144.983 3.587 7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.575 2.899 9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.316 4.107 10.146 1.00 0.00 H new ATOM 256 N SER A 22 142.025 2.646 7.951 1.00 0.00 N ATOM 257 CA SER A 22 140.997 1.738 7.453 1.00 0.00 C ATOM 258 C SER A 22 141.600 0.694 6.520 1.00 0.00 C ATOM 259 O SER A 22 142.542 0.977 5.779 1.00 0.00 O ATOM 260 CB SER A 22 139.905 2.522 6.724 1.00 0.00 C ATOM 261 OG SER A 22 139.368 3.539 7.552 1.00 0.00 O ATOM 0 H SER A 22 142.146 3.492 7.394 1.00 0.00 H new ATOM 0 HA SER A 22 140.556 1.224 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.316 2.966 5.817 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.110 1.843 6.415 1.00 0.00 H new ATOM 0 HG SER A 22 138.673 4.027 7.062 1.00 0.00 H new ATOM 267 N LEU A 23 141.050 -0.515 6.559 1.00 0.00 N ATOM 268 CA LEU A 23 141.534 -1.603 5.717 1.00 0.00 C ATOM 269 C LEU A 23 141.086 -1.412 4.272 1.00 0.00 C ATOM 270 O LEU A 23 139.981 -0.937 4.011 1.00 0.00 O ATOM 271 CB LEU A 23 141.030 -2.948 6.245 1.00 0.00 C ATOM 272 CG LEU A 23 141.349 -3.227 7.714 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.291 -4.131 8.328 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.729 -3.851 7.849 1.00 0.00 C ATOM 0 H LEU A 23 140.269 -0.766 7.165 1.00 0.00 H new ATOM 0 HA LEU A 23 142.624 -1.594 5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 23 139.949 -2.993 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.461 -3.744 5.638 1.00 0.00 H new ATOM 0 HG LEU A 23 141.345 -2.280 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.535 -4.318 9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.317 -3.646 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.262 -5.077 7.787 1.00 0.00 H new ATOM 0 HD21 LEU A 23 142.940 -4.043 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 23 142.760 -4.789 7.295 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.478 -3.168 7.447 1.00 0.00 H new ATOM 286 N ALA A 24 141.952 -1.786 3.335 1.00 0.00 N ATOM 287 CA ALA A 24 141.646 -1.657 1.917 1.00 0.00 C ATOM 288 C ALA A 24 142.301 -2.774 1.110 1.00 0.00 C ATOM 289 O ALA A 24 143.405 -3.216 1.426 1.00 0.00 O ATOM 290 CB ALA A 24 142.097 -0.299 1.401 1.00 0.00 C ATOM 0 H ALA A 24 142.871 -2.181 3.534 1.00 0.00 H new ATOM 0 HA ALA A 24 140.566 -1.740 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.862 -0.217 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.580 0.489 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.173 -0.194 1.544 1.00 0.00 H new ATOM 296 N GLU A 25 141.611 -3.226 0.068 1.00 0.00 N ATOM 297 CA GLU A 25 142.125 -4.292 -0.784 1.00 0.00 C ATOM 298 C GLU A 25 142.308 -3.804 -2.217 1.00 0.00 C ATOM 299 O GLU A 25 141.520 -2.999 -2.715 1.00 0.00 O ATOM 300 CB GLU A 25 141.178 -5.493 -0.760 1.00 0.00 C ATOM 301 CG GLU A 25 141.860 -6.812 -1.087 1.00 0.00 C ATOM 302 CD GLU A 25 141.004 -7.711 -1.959 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.509 -7.231 -3.001 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.828 -8.893 -1.599 1.00 0.00 O ATOM 0 H GLU A 25 140.695 -2.871 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 25 143.097 -4.596 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.721 -5.565 0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.372 -5.324 -1.474 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.804 -6.613 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 25 142.100 -7.333 -0.160 1.00 0.00 H new ATOM 311 N VAL A 26 143.353 -4.295 -2.876 1.00 0.00 N ATOM 312 CA VAL A 26 143.639 -3.909 -4.252 1.00 0.00 C ATOM 313 C VAL A 26 143.308 -5.041 -5.219 1.00 0.00 C ATOM 314 O VAL A 26 143.243 -6.207 -4.827 1.00 0.00 O ATOM 315 CB VAL A 26 145.118 -3.513 -4.429 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.362 -2.965 -5.827 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.530 -2.499 -3.372 1.00 0.00 C ATOM 0 H VAL A 26 144.015 -4.961 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 26 143.011 -3.047 -4.476 1.00 0.00 H new ATOM 0 HB VAL A 26 145.731 -4.406 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.412 -2.691 -5.932 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.110 -3.726 -6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.740 -2.085 -5.986 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.577 -2.231 -3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 26 144.912 -1.606 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.397 -2.932 -2.381 1.00 0.00 H new ATOM 327 N LYS A 27 143.097 -4.690 -6.483 1.00 0.00 N ATOM 328 CA LYS A 27 142.772 -5.678 -7.506 1.00 0.00 C ATOM 329 C LYS A 27 144.017 -6.081 -8.290 1.00 0.00 C ATOM 330 O LYS A 27 143.958 -6.293 -9.501 1.00 0.00 O ATOM 331 CB LYS A 27 141.711 -5.125 -8.460 1.00 0.00 C ATOM 332 CG LYS A 27 140.976 -6.201 -9.241 1.00 0.00 C ATOM 333 CD LYS A 27 140.368 -5.643 -10.518 1.00 0.00 C ATOM 334 CE LYS A 27 140.343 -6.687 -11.623 1.00 0.00 C ATOM 335 NZ LYS A 27 139.044 -7.413 -11.675 1.00 0.00 N ATOM 0 H LYS A 27 143.145 -3.730 -6.824 1.00 0.00 H new ATOM 0 HA LYS A 27 142.377 -6.563 -7.007 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.987 -4.544 -7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.187 -4.440 -9.161 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.665 -7.009 -9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.190 -6.631 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 27 139.354 -5.297 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 27 140.941 -4.776 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 27 140.527 -6.204 -12.583 1.00 0.00 H new ATOM 0 HE3 LYS A 27 141.151 -7.401 -11.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 139.069 -8.115 -12.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.880 -7.896 -10.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 138.275 -6.736 -11.851 1.00 0.00 H new ATOM 349 N GLU A 28 145.141 -6.187 -7.591 1.00 0.00 N ATOM 350 CA GLU A 28 146.401 -6.566 -8.222 1.00 0.00 C ATOM 351 C GLU A 28 146.446 -8.068 -8.485 1.00 0.00 C ATOM 352 O GLU A 28 145.486 -8.786 -8.207 1.00 0.00 O ATOM 353 CB GLU A 28 147.582 -6.154 -7.340 1.00 0.00 C ATOM 354 CG GLU A 28 148.687 -5.437 -8.100 1.00 0.00 C ATOM 355 CD GLU A 28 150.071 -5.885 -7.675 1.00 0.00 C ATOM 356 OE1 GLU A 28 150.576 -5.368 -6.655 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.652 -6.753 -8.360 1.00 0.00 O ATOM 0 H GLU A 28 145.206 -6.016 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 28 146.472 -6.046 -9.177 1.00 0.00 H new ATOM 0 HB2 GLU A 28 147.220 -5.505 -6.543 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.997 -7.043 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.563 -5.615 -9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.593 -4.362 -7.943 1.00 0.00 H new ATOM 364 N ASN A 29 147.567 -8.535 -9.023 1.00 0.00 N ATOM 365 CA ASN A 29 147.737 -9.952 -9.323 1.00 0.00 C ATOM 366 C ASN A 29 147.676 -10.789 -8.047 1.00 0.00 C ATOM 367 O ASN A 29 146.827 -11.670 -7.913 1.00 0.00 O ATOM 368 CB ASN A 29 149.069 -10.187 -10.039 1.00 0.00 C ATOM 369 CG ASN A 29 148.909 -10.256 -11.545 1.00 0.00 C ATOM 370 OD1 ASN A 29 148.911 -11.338 -12.132 1.00 0.00 O ATOM 371 ND2 ASN A 29 148.770 -9.097 -12.180 1.00 0.00 N ATOM 0 H ASN A 29 148.371 -7.954 -9.260 1.00 0.00 H new ATOM 0 HA ASN A 29 146.922 -10.260 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.761 -9.384 -9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 29 149.513 -11.116 -9.680 1.00 0.00 H new ATOM 0 HD21 ASN A 29 148.659 -9.081 -13.194 1.00 0.00 H new ATOM 0 HD22 ASN A 29 148.774 -8.223 -11.654 1.00 0.00 H new ATOM 378 N PRO A 30 148.579 -10.522 -7.087 1.00 0.00 N ATOM 379 CA PRO A 30 148.624 -11.252 -5.818 1.00 0.00 C ATOM 380 C PRO A 30 147.529 -10.802 -4.852 1.00 0.00 C ATOM 381 O PRO A 30 147.581 -9.694 -4.319 1.00 0.00 O ATOM 382 CB PRO A 30 150.002 -10.898 -5.265 1.00 0.00 C ATOM 383 CG PRO A 30 150.284 -9.540 -5.809 1.00 0.00 C ATOM 384 CD PRO A 30 149.627 -9.485 -7.165 1.00 0.00 C ATOM 0 HA PRO A 30 148.462 -12.322 -5.952 1.00 0.00 H new ATOM 0 HB2 PRO A 30 150.004 -10.897 -4.175 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.755 -11.618 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.886 -8.767 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 30 151.357 -9.368 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 30 149.203 -8.501 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 30 150.339 -9.694 -7.964 1.00 0.00 H new ATOM 392 N PRO A 31 146.518 -11.657 -4.609 1.00 0.00 N ATOM 393 CA PRO A 31 145.415 -11.332 -3.699 1.00 0.00 C ATOM 394 C PRO A 31 145.868 -11.257 -2.244 1.00 0.00 C ATOM 395 O PRO A 31 145.707 -12.211 -1.484 1.00 0.00 O ATOM 396 CB PRO A 31 144.435 -12.490 -3.895 1.00 0.00 C ATOM 397 CG PRO A 31 145.275 -13.621 -4.374 1.00 0.00 C ATOM 398 CD PRO A 31 146.370 -13.002 -5.197 1.00 0.00 C ATOM 0 HA PRO A 31 144.985 -10.354 -3.915 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.928 -12.741 -2.964 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.662 -12.236 -4.621 1.00 0.00 H new ATOM 0 HG2 PRO A 31 145.687 -14.184 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.687 -14.320 -4.969 1.00 0.00 H new ATOM 0 HD2 PRO A 31 147.295 -13.574 -5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.101 -12.952 -6.252 1.00 0.00 H new ATOM 406 N PHE A 32 146.434 -10.116 -1.864 1.00 0.00 N ATOM 407 CA PHE A 32 146.910 -9.917 -0.501 1.00 0.00 C ATOM 408 C PHE A 32 145.913 -9.094 0.309 1.00 0.00 C ATOM 409 O PHE A 32 144.931 -8.584 -0.232 1.00 0.00 O ATOM 410 CB PHE A 32 148.272 -9.220 -0.511 1.00 0.00 C ATOM 411 CG PHE A 32 148.324 -8.017 -1.409 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.577 -6.887 -1.119 1.00 0.00 C ATOM 413 CD2 PHE A 32 149.118 -8.018 -2.544 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.622 -5.779 -1.944 1.00 0.00 C ATOM 415 CE2 PHE A 32 149.167 -6.913 -3.373 1.00 0.00 C ATOM 416 CZ PHE A 32 148.419 -5.791 -3.072 1.00 0.00 C ATOM 0 H PHE A 32 146.574 -9.316 -2.481 1.00 0.00 H new ATOM 0 HA PHE A 32 147.013 -10.896 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.523 -8.916 0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 32 149.033 -9.933 -0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.952 -6.872 -0.238 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.705 -8.892 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 32 147.034 -4.904 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.790 -6.927 -4.255 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.457 -4.926 -3.717 1.00 0.00 H new ATOM 426 N TYR A 33 146.171 -8.970 1.606 1.00 0.00 N ATOM 427 CA TYR A 33 145.294 -8.209 2.489 1.00 0.00 C ATOM 428 C TYR A 33 146.106 -7.332 3.438 1.00 0.00 C ATOM 429 O TYR A 33 146.957 -7.824 4.180 1.00 0.00 O ATOM 430 CB TYR A 33 144.398 -9.154 3.291 1.00 0.00 C ATOM 431 CG TYR A 33 143.192 -9.643 2.522 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.287 -8.745 1.967 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.956 -11.002 2.350 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.183 -9.188 1.264 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.854 -11.451 1.648 1.00 0.00 C ATOM 436 CZ TYR A 33 140.971 -10.541 1.107 1.00 0.00 C ATOM 437 OH TYR A 33 139.873 -10.985 0.407 1.00 0.00 O ATOM 0 H TYR A 33 146.979 -9.386 2.069 1.00 0.00 H new ATOM 0 HA TYR A 33 144.669 -7.564 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.986 -10.013 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.061 -8.643 4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.450 -7.684 2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.645 -11.718 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.489 -8.477 0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.685 -12.510 1.524 1.00 0.00 H new ATOM 0 HH TYR A 33 139.820 -10.514 -0.451 1.00 0.00 H new ATOM 447 N GLY A 34 145.837 -6.031 3.408 1.00 0.00 N ATOM 448 CA GLY A 34 146.550 -5.107 4.269 1.00 0.00 C ATOM 449 C GLY A 34 145.676 -3.963 4.743 1.00 0.00 C ATOM 450 O GLY A 34 144.452 -4.089 4.797 1.00 0.00 O ATOM 0 H GLY A 34 145.138 -5.600 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 34 146.937 -5.646 5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.410 -4.705 3.733 1.00 0.00 H new ATOM 454 N VAL A 35 146.303 -2.843 5.086 1.00 0.00 N ATOM 455 CA VAL A 35 145.574 -1.672 5.558 1.00 0.00 C ATOM 456 C VAL A 35 146.235 -0.383 5.078 1.00 0.00 C ATOM 457 O VAL A 35 147.452 -0.326 4.904 1.00 0.00 O ATOM 458 CB VAL A 35 145.480 -1.651 7.096 1.00 0.00 C ATOM 459 CG1 VAL A 35 146.865 -1.581 7.720 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.617 -0.488 7.565 1.00 0.00 C ATOM 0 H VAL A 35 147.315 -2.722 5.046 1.00 0.00 H new ATOM 0 HA VAL A 35 144.568 -1.736 5.143 1.00 0.00 H new ATOM 0 HB VAL A 35 145.009 -2.578 7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 35 146.774 -1.567 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.446 -2.452 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.369 -0.674 7.386 1.00 0.00 H new ATOM 0 HG21 VAL A 35 144.563 -0.491 8.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.056 0.450 7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.613 -0.590 7.152 1.00 0.00 H new ATOM 470 N ILE A 36 145.424 0.648 4.865 1.00 0.00 N ATOM 471 CA ILE A 36 145.931 1.935 4.406 1.00 0.00 C ATOM 472 C ILE A 36 146.835 2.573 5.456 1.00 0.00 C ATOM 473 O ILE A 36 146.530 2.553 6.647 1.00 0.00 O ATOM 474 CB ILE A 36 144.781 2.907 4.074 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.779 2.243 3.126 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.328 4.187 3.460 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.620 3.139 2.746 1.00 0.00 C ATOM 0 H ILE A 36 144.414 0.617 5.003 1.00 0.00 H new ATOM 0 HA ILE A 36 146.507 1.745 3.500 1.00 0.00 H new ATOM 0 HB ILE A 36 144.264 3.162 4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.299 1.932 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.390 1.340 3.596 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.503 4.862 3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.006 4.668 4.165 1.00 0.00 H new ATOM 0 HG23 ILE A 36 145.867 3.949 2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 36 141.951 2.603 2.073 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.075 3.429 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 36 142.998 4.031 2.247 1.00 0.00 H new ATOM 489 N ARG A 37 147.950 3.137 5.004 1.00 0.00 N ATOM 490 CA ARG A 37 148.901 3.779 5.905 1.00 0.00 C ATOM 491 C ARG A 37 149.107 5.243 5.529 1.00 0.00 C ATOM 492 O ARG A 37 148.852 6.142 6.331 1.00 0.00 O ATOM 493 CB ARG A 37 150.240 3.041 5.877 1.00 0.00 C ATOM 494 CG ARG A 37 150.108 1.536 6.049 1.00 0.00 C ATOM 495 CD ARG A 37 149.381 1.183 7.336 1.00 0.00 C ATOM 496 NE ARG A 37 150.219 1.390 8.514 1.00 0.00 N ATOM 497 CZ ARG A 37 149.776 1.294 9.766 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.506 0.996 10.006 1.00 0.00 N ATOM 499 NH2 ARG A 37 150.606 1.498 10.780 1.00 0.00 N ATOM 0 H ARG A 37 148.217 3.163 4.020 1.00 0.00 H new ATOM 0 HA ARG A 37 148.491 3.737 6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.740 3.248 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 37 150.879 3.434 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.569 1.118 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.099 1.081 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.480 1.790 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.061 0.142 7.297 1.00 0.00 H new ATOM 0 HE ARG A 37 151.202 1.622 8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 37 147.863 0.839 9.230 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.172 0.924 10.967 1.00 0.00 H new ATOM 0 HH21 ARG A 37 151.583 1.728 10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 150.267 1.425 11.739 1.00 0.00 H new ATOM 513 N TRP A 38 149.570 5.476 4.305 1.00 0.00 N ATOM 514 CA TRP A 38 149.811 6.832 3.825 1.00 0.00 C ATOM 515 C TRP A 38 149.117 7.071 2.486 1.00 0.00 C ATOM 516 O TRP A 38 149.194 6.244 1.578 1.00 0.00 O ATOM 517 CB TRP A 38 151.316 7.090 3.690 1.00 0.00 C ATOM 518 CG TRP A 38 151.645 8.370 2.979 1.00 0.00 C ATOM 519 CD1 TRP A 38 151.811 9.602 3.542 1.00 0.00 C ATOM 520 CD2 TRP A 38 151.843 8.541 1.571 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.101 10.529 2.569 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.125 9.902 1.351 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.808 7.676 0.474 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.372 10.415 0.080 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.054 8.185 -0.786 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.333 9.544 -0.975 1.00 0.00 C ATOM 0 H TRP A 38 149.786 4.744 3.628 1.00 0.00 H new ATOM 0 HA TRP A 38 149.395 7.527 4.555 1.00 0.00 H new ATOM 0 HB2 TRP A 38 151.763 7.111 4.684 1.00 0.00 H new ATOM 0 HB3 TRP A 38 151.772 6.258 3.153 1.00 0.00 H new ATOM 0 HD1 TRP A 38 151.727 9.817 4.597 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.271 11.522 2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.592 6.626 0.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.587 11.463 -0.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.031 7.524 -1.640 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.521 9.912 -1.973 1.00 0.00 H new ATOM 537 N ILE A 39 148.450 8.214 2.372 1.00 0.00 N ATOM 538 CA ILE A 39 147.751 8.576 1.147 1.00 0.00 C ATOM 539 C ILE A 39 148.211 9.942 0.653 1.00 0.00 C ATOM 540 O ILE A 39 147.859 10.971 1.229 1.00 0.00 O ATOM 541 CB ILE A 39 146.222 8.603 1.353 1.00 0.00 C ATOM 542 CG1 ILE A 39 145.750 7.301 2.003 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.511 8.827 0.028 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.484 7.455 2.817 1.00 0.00 C ATOM 0 H ILE A 39 148.379 8.907 3.117 1.00 0.00 H new ATOM 0 HA ILE A 39 147.990 7.816 0.404 1.00 0.00 H new ATOM 0 HB ILE A 39 145.976 9.430 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 39 145.584 6.556 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.542 6.918 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.433 8.843 0.191 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.828 9.779 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 39 145.761 8.020 -0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.209 6.492 3.248 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.651 8.176 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.678 7.808 2.173 1.00 0.00 H new ATOM 556 N GLY A 40 149.008 9.947 -0.411 1.00 0.00 N ATOM 557 CA GLY A 40 149.508 11.196 -0.952 1.00 0.00 C ATOM 558 C GLY A 40 150.119 11.035 -2.329 1.00 0.00 C ATOM 559 O GLY A 40 149.963 9.996 -2.970 1.00 0.00 O ATOM 0 H GLY A 40 149.315 9.110 -0.907 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.692 11.917 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.255 11.608 -0.274 1.00 0.00 H new ATOM 563 N GLN A 41 150.815 12.071 -2.785 1.00 0.00 N ATOM 564 CA GLN A 41 151.452 12.052 -4.094 1.00 0.00 C ATOM 565 C GLN A 41 152.919 12.468 -3.988 1.00 0.00 C ATOM 566 O GLN A 41 153.223 13.605 -3.629 1.00 0.00 O ATOM 567 CB GLN A 41 150.710 12.989 -5.046 1.00 0.00 C ATOM 568 CG GLN A 41 149.202 12.798 -5.033 1.00 0.00 C ATOM 569 CD GLN A 41 148.450 14.112 -5.103 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.871 14.397 -6.261 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.391 14.860 -4.127 1.00 0.00 N flip ATOM 0 H GLN A 41 150.952 12.937 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 41 151.411 11.035 -4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.940 14.021 -4.780 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.079 12.831 -6.059 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.911 12.171 -5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.914 12.266 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.852 14.599 -3.256 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.881 15.741 -4.190 1.00 0.00 H new ATOM 580 N PRO A 42 153.854 11.549 -4.297 1.00 0.00 N ATOM 581 CA PRO A 42 155.292 11.834 -4.231 1.00 0.00 C ATOM 582 C PRO A 42 155.691 13.017 -5.108 1.00 0.00 C ATOM 583 O PRO A 42 154.968 13.383 -6.036 1.00 0.00 O ATOM 584 CB PRO A 42 155.942 10.545 -4.744 1.00 0.00 C ATOM 585 CG PRO A 42 154.913 9.489 -4.534 1.00 0.00 C ATOM 586 CD PRO A 42 153.589 10.167 -4.733 1.00 0.00 C ATOM 0 HA PRO A 42 155.603 12.109 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.212 10.630 -5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.858 10.319 -4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.043 8.669 -5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.988 9.063 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.268 10.127 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.803 9.700 -4.139 1.00 0.00 H new ATOM 594 N PRO A 43 156.851 13.631 -4.826 1.00 0.00 N ATOM 595 CA PRO A 43 157.345 14.777 -5.595 1.00 0.00 C ATOM 596 C PRO A 43 157.832 14.376 -6.981 1.00 0.00 C ATOM 597 O PRO A 43 159.014 14.095 -7.178 1.00 0.00 O ATOM 598 CB PRO A 43 158.510 15.294 -4.751 1.00 0.00 C ATOM 599 CG PRO A 43 158.989 14.102 -3.998 1.00 0.00 C ATOM 600 CD PRO A 43 157.772 13.257 -3.736 1.00 0.00 C ATOM 0 HA PRO A 43 156.565 15.518 -5.770 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.299 15.710 -5.378 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.188 16.086 -4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.731 13.549 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.467 14.397 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.010 12.193 -3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.341 13.467 -2.757 1.00 0.00 H new ATOM 608 N GLY A 44 156.914 14.350 -7.941 1.00 0.00 N ATOM 609 CA GLY A 44 157.273 13.982 -9.297 1.00 0.00 C ATOM 610 C GLY A 44 156.084 13.491 -10.098 1.00 0.00 C ATOM 611 O GLY A 44 155.844 13.957 -11.212 1.00 0.00 O ATOM 0 H GLY A 44 155.929 14.577 -7.804 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.715 14.843 -9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.035 13.203 -9.269 1.00 0.00 H new ATOM 615 N LEU A 45 155.339 12.549 -9.532 1.00 0.00 N ATOM 616 CA LEU A 45 154.169 11.997 -10.204 1.00 0.00 C ATOM 617 C LEU A 45 152.914 12.208 -9.366 1.00 0.00 C ATOM 618 O LEU A 45 152.764 11.612 -8.299 1.00 0.00 O ATOM 619 CB LEU A 45 154.369 10.506 -10.478 1.00 0.00 C ATOM 620 CG LEU A 45 154.847 9.684 -9.278 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.479 8.217 -9.453 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.350 9.845 -9.088 1.00 0.00 C ATOM 0 H LEU A 45 155.524 12.152 -8.611 1.00 0.00 H new ATOM 0 HA LEU A 45 154.044 12.519 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.427 10.088 -10.833 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.092 10.395 -11.286 1.00 0.00 H new ATOM 0 HG LEU A 45 154.347 10.055 -8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.827 7.649 -8.590 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.397 8.121 -9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.950 7.829 -10.356 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.674 9.254 -8.231 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.869 9.501 -9.983 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.584 10.895 -8.914 1.00 0.00 H new ATOM 634 N ASN A 46 152.013 13.054 -9.852 1.00 0.00 N ATOM 635 CA ASN A 46 150.774 13.330 -9.134 1.00 0.00 C ATOM 636 C ASN A 46 149.823 12.143 -9.238 1.00 0.00 C ATOM 637 O ASN A 46 149.247 11.884 -10.295 1.00 0.00 O ATOM 638 CB ASN A 46 150.109 14.588 -9.696 1.00 0.00 C ATOM 639 CG ASN A 46 148.854 14.969 -8.936 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.885 14.212 -8.894 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.867 16.151 -8.329 1.00 0.00 N ATOM 0 H ASN A 46 152.115 13.557 -10.733 1.00 0.00 H new ATOM 0 HA ASN A 46 151.011 13.495 -8.083 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.817 15.416 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.860 14.426 -10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 46 148.051 16.463 -7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 46 149.693 16.747 -8.390 1.00 0.00 H new ATOM 648 N GLU A 47 149.664 11.426 -8.131 1.00 0.00 N ATOM 649 CA GLU A 47 148.783 10.265 -8.089 1.00 0.00 C ATOM 650 C GLU A 47 148.535 9.827 -6.650 1.00 0.00 C ATOM 651 O GLU A 47 149.473 9.496 -5.924 1.00 0.00 O ATOM 652 CB GLU A 47 149.384 9.107 -8.891 1.00 0.00 C ATOM 653 CG GLU A 47 150.894 8.984 -8.752 1.00 0.00 C ATOM 654 CD GLU A 47 151.508 8.112 -9.829 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.735 8.621 -10.948 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.761 6.920 -9.557 1.00 0.00 O ATOM 0 H GLU A 47 150.135 11.629 -7.249 1.00 0.00 H new ATOM 0 HA GLU A 47 147.830 10.547 -8.536 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.921 8.174 -8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.135 9.238 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.341 9.977 -8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.133 8.568 -7.773 1.00 0.00 H new ATOM 663 N VAL A 48 147.271 9.818 -6.242 1.00 0.00 N ATOM 664 CA VAL A 48 146.916 9.408 -4.890 1.00 0.00 C ATOM 665 C VAL A 48 147.256 7.940 -4.667 1.00 0.00 C ATOM 666 O VAL A 48 146.521 7.050 -5.094 1.00 0.00 O ATOM 667 CB VAL A 48 145.417 9.627 -4.610 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.108 9.388 -3.139 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.992 11.025 -5.031 1.00 0.00 C ATOM 0 H VAL A 48 146.479 10.089 -6.825 1.00 0.00 H new ATOM 0 HA VAL A 48 147.495 10.026 -4.204 1.00 0.00 H new ATOM 0 HB VAL A 48 144.848 8.908 -5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.045 9.547 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.371 8.364 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.687 10.081 -2.528 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.930 11.160 -4.825 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.567 11.764 -4.472 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.174 11.155 -6.098 1.00 0.00 H new ATOM 679 N LEU A 49 148.379 7.692 -4.002 1.00 0.00 N ATOM 680 CA LEU A 49 148.821 6.331 -3.729 1.00 0.00 C ATOM 681 C LEU A 49 148.666 5.997 -2.251 1.00 0.00 C ATOM 682 O LEU A 49 149.298 6.615 -1.394 1.00 0.00 O ATOM 683 CB LEU A 49 150.279 6.151 -4.154 1.00 0.00 C ATOM 684 CG LEU A 49 150.574 6.496 -5.614 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.003 6.995 -5.767 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.333 5.286 -6.505 1.00 0.00 C ATOM 0 H LEU A 49 149.000 8.417 -3.642 1.00 0.00 H new ATOM 0 HA LEU A 49 148.195 5.649 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.907 6.772 -3.516 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.569 5.115 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 49 149.898 7.293 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.194 7.235 -6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.144 7.888 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.696 6.220 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.548 5.548 -7.541 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.986 4.470 -6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.293 4.972 -6.418 1.00 0.00 H new ATOM 698 N ALA A 50 147.820 5.017 -1.958 1.00 0.00 N ATOM 699 CA ALA A 50 147.584 4.604 -0.582 1.00 0.00 C ATOM 700 C ALA A 50 148.522 3.470 -0.181 1.00 0.00 C ATOM 701 O ALA A 50 148.448 2.368 -0.726 1.00 0.00 O ATOM 702 CB ALA A 50 146.134 4.182 -0.398 1.00 0.00 C ATOM 0 H ALA A 50 147.287 4.495 -2.654 1.00 0.00 H new ATOM 0 HA ALA A 50 147.787 5.456 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 50 145.973 3.876 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.478 5.020 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 50 145.911 3.347 -1.063 1.00 0.00 H new ATOM 708 N GLY A 51 149.405 3.747 0.773 1.00 0.00 N ATOM 709 CA GLY A 51 150.345 2.741 1.230 1.00 0.00 C ATOM 710 C GLY A 51 149.671 1.632 2.013 1.00 0.00 C ATOM 711 O GLY A 51 149.179 1.854 3.120 1.00 0.00 O ATOM 0 H GLY A 51 149.486 4.651 1.238 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.861 2.313 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.103 3.213 1.854 1.00 0.00 H new ATOM 715 N LEU A 52 149.648 0.434 1.439 1.00 0.00 N ATOM 716 CA LEU A 52 149.030 -0.714 2.091 1.00 0.00 C ATOM 717 C LEU A 52 150.084 -1.612 2.730 1.00 0.00 C ATOM 718 O LEU A 52 151.068 -1.983 2.091 1.00 0.00 O ATOM 719 CB LEU A 52 148.203 -1.516 1.084 1.00 0.00 C ATOM 720 CG LEU A 52 146.961 -0.800 0.552 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.446 -1.487 -0.703 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.877 -0.751 1.619 1.00 0.00 C ATOM 0 H LEU A 52 150.050 0.233 0.523 1.00 0.00 H new ATOM 0 HA LEU A 52 148.372 -0.342 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.841 -1.780 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.893 -2.450 1.553 1.00 0.00 H new ATOM 0 HG LEU A 52 147.236 0.223 0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.562 -0.964 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.220 -1.470 -1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.187 -2.520 -0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.000 -0.238 1.224 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.604 -1.766 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.249 -0.214 2.491 1.00 0.00 H new ATOM 734 N GLU A 53 149.872 -1.957 3.997 1.00 0.00 N ATOM 735 CA GLU A 53 150.804 -2.811 4.723 1.00 0.00 C ATOM 736 C GLU A 53 150.332 -4.261 4.715 1.00 0.00 C ATOM 737 O GLU A 53 149.326 -4.600 5.337 1.00 0.00 O ATOM 738 CB GLU A 53 150.960 -2.320 6.164 1.00 0.00 C ATOM 739 CG GLU A 53 151.942 -3.142 6.984 1.00 0.00 C ATOM 740 CD GLU A 53 151.412 -3.483 8.361 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.983 -2.556 9.079 1.00 0.00 O ATOM 742 OE2 GLU A 53 151.424 -4.679 8.723 1.00 0.00 O ATOM 0 H GLU A 53 149.063 -1.658 4.541 1.00 0.00 H new ATOM 0 HA GLU A 53 151.771 -2.761 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.290 -1.281 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 53 149.986 -2.339 6.653 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.173 -4.064 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.876 -2.590 7.085 1.00 0.00 H new ATOM 749 N LEU A 54 151.066 -5.113 4.006 1.00 0.00 N ATOM 750 CA LEU A 54 150.722 -6.527 3.917 1.00 0.00 C ATOM 751 C LEU A 54 151.001 -7.240 5.237 1.00 0.00 C ATOM 752 O LEU A 54 152.072 -7.083 5.824 1.00 0.00 O ATOM 753 CB LEU A 54 151.510 -7.195 2.788 1.00 0.00 C ATOM 754 CG LEU A 54 151.446 -6.474 1.440 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.653 -6.828 0.587 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.156 -6.822 0.713 1.00 0.00 C ATOM 0 H LEU A 54 151.902 -4.849 3.485 1.00 0.00 H new ATOM 0 HA LEU A 54 149.656 -6.602 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.554 -7.274 3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 54 151.138 -8.211 2.657 1.00 0.00 H new ATOM 0 HG LEU A 54 151.460 -5.399 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.590 -6.306 -0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.565 -6.529 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.672 -7.904 0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.126 -6.301 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 150.113 -7.898 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.303 -6.517 1.319 1.00 0.00 H new ATOM 768 N GLU A 55 150.030 -8.020 5.699 1.00 0.00 N ATOM 769 CA GLU A 55 150.170 -8.755 6.951 1.00 0.00 C ATOM 770 C GLU A 55 151.279 -9.798 6.849 1.00 0.00 C ATOM 771 O GLU A 55 151.960 -10.092 7.832 1.00 0.00 O ATOM 772 CB GLU A 55 148.849 -9.435 7.317 1.00 0.00 C ATOM 773 CG GLU A 55 147.932 -8.564 8.162 1.00 0.00 C ATOM 774 CD GLU A 55 147.895 -8.998 9.615 1.00 0.00 C ATOM 775 OE1 GLU A 55 147.569 -10.174 9.877 1.00 0.00 O ATOM 776 OE2 GLU A 55 148.192 -8.159 10.492 1.00 0.00 O ATOM 0 H GLU A 55 149.137 -8.160 5.225 1.00 0.00 H new ATOM 0 HA GLU A 55 150.435 -8.044 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.328 -9.716 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.062 -10.357 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.265 -7.528 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.923 -8.598 7.750 1.00 0.00 H new ATOM 783 N ASP A 56 151.454 -10.353 5.655 1.00 0.00 N ATOM 784 CA ASP A 56 152.481 -11.364 5.426 1.00 0.00 C ATOM 785 C ASP A 56 153.824 -10.713 5.113 1.00 0.00 C ATOM 786 O ASP A 56 153.897 -9.750 4.351 1.00 0.00 O ATOM 787 CB ASP A 56 152.070 -12.287 4.279 1.00 0.00 C ATOM 788 CG ASP A 56 150.961 -13.243 4.674 1.00 0.00 C ATOM 789 OD1 ASP A 56 150.877 -13.592 5.871 1.00 0.00 O ATOM 790 OD2 ASP A 56 150.177 -13.642 3.787 1.00 0.00 O ATOM 0 H ASP A 56 150.899 -10.121 4.831 1.00 0.00 H new ATOM 0 HA ASP A 56 152.586 -11.953 6.337 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.742 -11.685 3.432 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.937 -12.858 3.948 1.00 0.00 H new ATOM 795 N GLU A 57 154.887 -11.245 5.710 1.00 0.00 N ATOM 796 CA GLU A 57 156.229 -10.716 5.495 1.00 0.00 C ATOM 797 C GLU A 57 156.867 -11.340 4.258 1.00 0.00 C ATOM 798 O GLU A 57 157.811 -12.126 4.362 1.00 0.00 O ATOM 799 CB GLU A 57 157.103 -10.974 6.724 1.00 0.00 C ATOM 800 CG GLU A 57 157.075 -9.844 7.739 1.00 0.00 C ATOM 801 CD GLU A 57 158.336 -9.784 8.580 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.432 -9.656 7.997 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.225 -9.864 9.822 1.00 0.00 O ATOM 0 H GLU A 57 154.844 -12.041 6.346 1.00 0.00 H new ATOM 0 HA GLU A 57 156.150 -9.641 5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.773 -11.894 7.207 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.131 -11.135 6.401 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.945 -8.896 7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.212 -9.969 8.393 1.00 0.00 H new ATOM 810 N CYS A 58 156.349 -10.983 3.088 1.00 0.00 N ATOM 811 CA CYS A 58 156.869 -11.508 1.830 1.00 0.00 C ATOM 812 C CYS A 58 158.107 -10.734 1.389 1.00 0.00 C ATOM 813 O CYS A 58 158.053 -9.521 1.183 1.00 0.00 O ATOM 814 CB CYS A 58 155.795 -11.438 0.743 1.00 0.00 C ATOM 815 SG CYS A 58 155.816 -12.835 -0.405 1.00 0.00 S ATOM 0 H CYS A 58 155.570 -10.333 2.984 1.00 0.00 H new ATOM 0 HA CYS A 58 157.150 -12.549 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.815 -11.386 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.925 -10.515 0.178 1.00 0.00 H new ATOM 0 HG CYS A 58 154.871 -12.687 -1.285 1.00 0.00 H new ATOM 821 N ALA A 59 159.222 -11.443 1.246 1.00 0.00 N ATOM 822 CA ALA A 59 160.474 -10.823 0.830 1.00 0.00 C ATOM 823 C ALA A 59 160.347 -10.208 -0.559 1.00 0.00 C ATOM 824 O ALA A 59 160.243 -10.921 -1.558 1.00 0.00 O ATOM 825 CB ALA A 59 161.602 -11.842 0.857 1.00 0.00 C ATOM 0 H ALA A 59 159.284 -12.447 1.412 1.00 0.00 H new ATOM 0 HA ALA A 59 160.706 -10.023 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 59 162.531 -11.365 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.717 -12.231 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 59 161.368 -12.662 0.178 1.00 0.00 H new ATOM 831 N GLY A 60 160.353 -8.880 -0.616 1.00 0.00 N ATOM 832 CA GLY A 60 160.238 -8.192 -1.888 1.00 0.00 C ATOM 833 C GLY A 60 159.723 -6.774 -1.737 1.00 0.00 C ATOM 834 O GLY A 60 160.028 -5.905 -2.553 1.00 0.00 O ATOM 0 H GLY A 60 160.435 -8.268 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.213 -8.171 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.567 -8.751 -2.540 1.00 0.00 H new ATOM 838 N CYS A 61 158.940 -6.540 -0.689 1.00 0.00 N ATOM 839 CA CYS A 61 158.382 -5.218 -0.432 1.00 0.00 C ATOM 840 C CYS A 61 159.349 -4.367 0.384 1.00 0.00 C ATOM 841 O CYS A 61 160.444 -4.813 0.728 1.00 0.00 O ATOM 842 CB CYS A 61 157.046 -5.340 0.305 1.00 0.00 C ATOM 843 SG CYS A 61 155.819 -6.353 -0.555 1.00 0.00 S ATOM 0 H CYS A 61 158.678 -7.249 -0.004 1.00 0.00 H new ATOM 0 HA CYS A 61 158.217 -4.729 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.225 -5.766 1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.635 -4.342 0.458 1.00 0.00 H new ATOM 0 HG CYS A 61 154.766 -5.635 -0.811 1.00 0.00 H new ATOM 849 N THR A 62 158.939 -3.141 0.690 1.00 0.00 N ATOM 850 CA THR A 62 159.769 -2.228 1.465 1.00 0.00 C ATOM 851 C THR A 62 159.315 -2.182 2.920 1.00 0.00 C ATOM 852 O THR A 62 158.402 -2.904 3.318 1.00 0.00 O ATOM 853 CB THR A 62 159.722 -0.823 0.860 1.00 0.00 C ATOM 854 OG1 THR A 62 158.393 -0.336 0.828 1.00 0.00 O ATOM 855 CG2 THR A 62 160.268 -0.762 -0.551 1.00 0.00 C ATOM 0 H THR A 62 158.036 -2.757 0.413 1.00 0.00 H new ATOM 0 HA THR A 62 160.795 -2.595 1.434 1.00 0.00 H new ATOM 0 HB THR A 62 160.352 -0.209 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.394 0.599 0.534 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.206 0.261 -0.921 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.309 -1.086 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.683 -1.417 -1.196 1.00 0.00 H new ATOM 863 N ASP A 63 159.959 -1.327 3.709 1.00 0.00 N ATOM 864 CA ASP A 63 159.621 -1.186 5.121 1.00 0.00 C ATOM 865 C ASP A 63 158.989 0.174 5.394 1.00 0.00 C ATOM 866 O ASP A 63 159.144 0.735 6.479 1.00 0.00 O ATOM 867 CB ASP A 63 160.870 -1.365 5.985 1.00 0.00 C ATOM 868 CG ASP A 63 161.964 -0.376 5.632 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.797 0.826 5.928 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.989 -0.804 5.059 1.00 0.00 O ATOM 0 H ASP A 63 160.717 -0.722 3.394 1.00 0.00 H new ATOM 0 HA ASP A 63 158.898 -1.960 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.602 -1.247 7.035 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.249 -2.380 5.865 1.00 0.00 H new ATOM 875 N GLY A 64 158.275 0.699 4.404 1.00 0.00 N ATOM 876 CA GLY A 64 157.630 1.990 4.558 1.00 0.00 C ATOM 877 C GLY A 64 158.349 3.092 3.805 1.00 0.00 C ATOM 878 O GLY A 64 158.370 4.242 4.245 1.00 0.00 O ATOM 0 H GLY A 64 158.131 0.254 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.602 1.923 4.203 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.586 2.247 5.616 1.00 0.00 H new ATOM 882 N THR A 65 158.940 2.740 2.668 1.00 0.00 N ATOM 883 CA THR A 65 159.664 3.708 1.852 1.00 0.00 C ATOM 884 C THR A 65 159.260 3.594 0.385 1.00 0.00 C ATOM 885 O THR A 65 159.441 2.549 -0.239 1.00 0.00 O ATOM 886 CB THR A 65 161.172 3.502 1.996 1.00 0.00 C ATOM 887 OG1 THR A 65 161.477 2.126 2.147 1.00 0.00 O ATOM 888 CG2 THR A 65 161.767 4.236 3.177 1.00 0.00 C ATOM 0 H THR A 65 158.932 1.792 2.291 1.00 0.00 H new ATOM 0 HA THR A 65 159.406 4.707 2.204 1.00 0.00 H new ATOM 0 HB THR A 65 161.607 3.906 1.082 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.446 2.014 2.236 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.840 4.047 3.220 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.592 5.306 3.066 1.00 0.00 H new ATOM 0 HG23 THR A 65 161.299 3.885 4.097 1.00 0.00 H new ATOM 896 N PHE A 66 158.714 4.677 -0.159 1.00 0.00 N ATOM 897 CA PHE A 66 158.287 4.699 -1.553 1.00 0.00 C ATOM 898 C PHE A 66 159.157 5.645 -2.375 1.00 0.00 C ATOM 899 O PHE A 66 159.050 6.865 -2.253 1.00 0.00 O ATOM 900 CB PHE A 66 156.820 5.122 -1.652 1.00 0.00 C ATOM 901 CG PHE A 66 156.213 4.872 -3.003 1.00 0.00 C ATOM 902 CD1 PHE A 66 156.173 3.592 -3.534 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.682 5.917 -3.743 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.615 3.359 -4.776 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.123 5.690 -4.987 1.00 0.00 C ATOM 906 CZ PHE A 66 155.089 4.409 -5.503 1.00 0.00 C ATOM 0 H PHE A 66 158.557 5.550 0.344 1.00 0.00 H new ATOM 0 HA PHE A 66 158.396 3.692 -1.956 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.244 4.585 -0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.740 6.183 -1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.583 2.767 -2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.705 6.920 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.590 2.357 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.714 6.513 -5.554 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.652 4.229 -6.474 1.00 0.00 H new ATOM 916 N ARG A 67 160.018 5.073 -3.210 1.00 0.00 N ATOM 917 CA ARG A 67 160.908 5.866 -4.052 1.00 0.00 C ATOM 918 C ARG A 67 161.832 6.733 -3.202 1.00 0.00 C ATOM 919 O ARG A 67 162.115 7.879 -3.548 1.00 0.00 O ATOM 920 CB ARG A 67 160.094 6.745 -5.003 1.00 0.00 C ATOM 921 CG ARG A 67 158.971 6.002 -5.708 1.00 0.00 C ATOM 922 CD ARG A 67 158.778 6.502 -7.131 1.00 0.00 C ATOM 923 NE ARG A 67 158.252 5.461 -8.011 1.00 0.00 N ATOM 924 CZ ARG A 67 158.319 5.509 -9.339 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.886 6.546 -9.944 1.00 0.00 N ATOM 926 NH2 ARG A 67 157.815 4.520 -10.064 1.00 0.00 N ATOM 0 H ARG A 67 160.119 4.064 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 67 161.521 5.181 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.671 7.578 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.762 7.172 -5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.193 4.935 -5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.044 6.127 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.096 7.352 -7.127 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.731 6.860 -7.522 1.00 0.00 H new ATOM 0 HE ARG A 67 157.807 4.650 -7.582 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.273 7.310 -9.390 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.935 6.578 -10.962 1.00 0.00 H new ATOM 0 HH21 ARG A 67 157.376 3.723 -9.604 1.00 0.00 H new ATOM 0 HH22 ARG A 67 157.866 4.557 -11.082 1.00 0.00 H new ATOM 940 N GLY A 68 162.297 6.177 -2.088 1.00 0.00 N ATOM 941 CA GLY A 68 163.183 6.913 -1.207 1.00 0.00 C ATOM 942 C GLY A 68 162.472 8.035 -0.476 1.00 0.00 C ATOM 943 O GLY A 68 163.086 9.043 -0.124 1.00 0.00 O ATOM 0 H GLY A 68 162.076 5.230 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.618 6.228 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.007 7.327 -1.788 1.00 0.00 H new ATOM 947 N THR A 69 161.174 7.861 -0.247 1.00 0.00 N ATOM 948 CA THR A 69 160.378 8.867 0.445 1.00 0.00 C ATOM 949 C THR A 69 159.605 8.245 1.604 1.00 0.00 C ATOM 950 O THR A 69 158.505 7.724 1.420 1.00 0.00 O ATOM 951 CB THR A 69 159.408 9.539 -0.528 1.00 0.00 C ATOM 952 OG1 THR A 69 160.027 9.757 -1.782 1.00 0.00 O ATOM 953 CG2 THR A 69 158.891 10.872 -0.032 1.00 0.00 C ATOM 0 H THR A 69 160.652 7.032 -0.531 1.00 0.00 H new ATOM 0 HA THR A 69 161.057 9.619 0.846 1.00 0.00 H new ATOM 0 HB THR A 69 158.566 8.852 -0.618 1.00 0.00 H new ATOM 0 HG1 THR A 69 159.950 8.948 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.208 11.295 -0.769 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.364 10.730 0.911 1.00 0.00 H new ATOM 0 HG23 THR A 69 159.728 11.553 0.120 1.00 0.00 H new ATOM 961 N ARG A 70 160.189 8.301 2.796 1.00 0.00 N ATOM 962 CA ARG A 70 159.554 7.743 3.985 1.00 0.00 C ATOM 963 C ARG A 70 158.220 8.426 4.262 1.00 0.00 C ATOM 964 O ARG A 70 158.126 9.654 4.255 1.00 0.00 O ATOM 965 CB ARG A 70 160.476 7.888 5.198 1.00 0.00 C ATOM 966 CG ARG A 70 159.901 7.294 6.472 1.00 0.00 C ATOM 967 CD ARG A 70 160.291 8.113 7.693 1.00 0.00 C ATOM 968 NE ARG A 70 161.632 7.783 8.169 1.00 0.00 N ATOM 969 CZ ARG A 70 162.308 8.518 9.049 1.00 0.00 C ATOM 970 NH1 ARG A 70 161.773 9.625 9.550 1.00 0.00 N ATOM 971 NH2 ARG A 70 163.523 8.145 9.429 1.00 0.00 N ATOM 0 H ARG A 70 161.100 8.727 2.965 1.00 0.00 H new ATOM 0 HA ARG A 70 159.368 6.685 3.803 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.429 7.406 4.980 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.684 8.945 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.815 7.248 6.395 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.256 6.270 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.245 9.174 7.448 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.570 7.939 8.492 1.00 0.00 H new ATOM 0 HE ARG A 70 162.076 6.940 7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 70 160.839 9.916 9.261 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.296 10.184 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 70 163.939 7.295 9.047 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.042 8.708 10.103 1.00 0.00 H new ATOM 985 N TYR A 71 157.189 7.624 4.505 1.00 0.00 N ATOM 986 CA TYR A 71 155.858 8.151 4.785 1.00 0.00 C ATOM 987 C TYR A 71 155.368 7.691 6.154 1.00 0.00 C ATOM 988 O TYR A 71 154.789 8.471 6.911 1.00 0.00 O ATOM 989 CB TYR A 71 154.872 7.707 3.703 1.00 0.00 C ATOM 990 CG TYR A 71 155.088 8.391 2.370 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.239 9.770 2.293 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.141 7.658 1.192 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.435 10.399 1.078 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.337 8.279 -0.026 1.00 0.00 C ATOM 995 CZ TYR A 71 155.484 9.649 -0.078 1.00 0.00 C ATOM 996 OH TYR A 71 155.680 10.271 -1.290 1.00 0.00 O ATOM 0 H TYR A 71 157.249 6.606 4.514 1.00 0.00 H new ATOM 0 HA TYR A 71 155.919 9.239 4.787 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.956 6.629 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 71 153.856 7.907 4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.203 10.360 3.197 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.027 6.585 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.549 11.472 1.034 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.375 7.694 -0.933 1.00 0.00 H new ATOM 0 HH TYR A 71 154.823 10.351 -1.759 1.00 0.00 H new ATOM 1006 N PHE A 72 155.602 6.420 6.465 1.00 0.00 N ATOM 1007 CA PHE A 72 155.185 5.857 7.743 1.00 0.00 C ATOM 1008 C PHE A 72 156.131 4.743 8.181 1.00 0.00 C ATOM 1009 O PHE A 72 156.903 4.218 7.379 1.00 0.00 O ATOM 1010 CB PHE A 72 153.757 5.319 7.645 1.00 0.00 C ATOM 1011 CG PHE A 72 153.573 4.298 6.558 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.332 4.693 5.252 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.642 2.944 6.844 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.162 3.757 4.251 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.474 2.002 5.846 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.234 2.409 4.548 1.00 0.00 C ATOM 0 H PHE A 72 156.078 5.761 5.849 1.00 0.00 H new ATOM 0 HA PHE A 72 155.217 6.651 8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.479 4.875 8.601 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.075 6.151 7.470 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.276 5.745 5.014 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.829 2.621 7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 72 152.973 4.078 3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.530 0.949 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.103 1.675 3.767 1.00 0.00 H new ATOM 1026 N THR A 73 156.066 4.389 9.461 1.00 0.00 N ATOM 1027 CA THR A 73 156.917 3.338 10.006 1.00 0.00 C ATOM 1028 C THR A 73 156.150 2.025 10.130 1.00 0.00 C ATOM 1029 O THR A 73 155.140 1.948 10.830 1.00 0.00 O ATOM 1030 CB THR A 73 157.464 3.753 11.372 1.00 0.00 C ATOM 1031 OG1 THR A 73 158.362 2.777 11.870 1.00 0.00 O ATOM 1032 CG2 THR A 73 156.384 3.954 12.413 1.00 0.00 C ATOM 0 H THR A 73 155.434 4.814 10.139 1.00 0.00 H new ATOM 0 HA THR A 73 157.750 3.187 9.319 1.00 0.00 H new ATOM 0 HB THR A 73 157.967 4.705 11.204 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.703 3.061 12.744 1.00 0.00 H new ATOM 0 HG21 THR A 73 156.840 4.247 13.359 1.00 0.00 H new ATOM 0 HG22 THR A 73 155.701 4.736 12.082 1.00 0.00 H new ATOM 0 HG23 THR A 73 155.832 3.024 12.549 1.00 0.00 H new ATOM 1040 N CYS A 74 156.636 0.994 9.447 1.00 0.00 N ATOM 1041 CA CYS A 74 155.997 -0.316 9.480 1.00 0.00 C ATOM 1042 C CYS A 74 157.038 -1.430 9.449 1.00 0.00 C ATOM 1043 O CYS A 74 158.223 -1.180 9.227 1.00 0.00 O ATOM 1044 CB CYS A 74 155.035 -0.468 8.300 1.00 0.00 C ATOM 1045 SG CYS A 74 153.348 0.085 8.647 1.00 0.00 S ATOM 0 H CYS A 74 157.471 1.041 8.863 1.00 0.00 H new ATOM 0 HA CYS A 74 155.435 -0.395 10.410 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.424 0.097 7.453 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.008 -1.515 8.000 1.00 0.00 H new ATOM 0 HG CYS A 74 153.020 1.027 7.813 1.00 0.00 H new ATOM 1051 N ALA A 75 156.588 -2.660 9.672 1.00 0.00 N ATOM 1052 CA ALA A 75 157.480 -3.812 9.669 1.00 0.00 C ATOM 1053 C ALA A 75 158.153 -3.983 8.311 1.00 0.00 C ATOM 1054 O ALA A 75 157.610 -3.575 7.284 1.00 0.00 O ATOM 1055 CB ALA A 75 156.716 -5.072 10.045 1.00 0.00 C ATOM 0 H ALA A 75 155.610 -2.884 9.857 1.00 0.00 H new ATOM 0 HA ALA A 75 158.259 -3.638 10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.395 -5.925 10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.289 -4.955 11.041 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.915 -5.240 9.325 1.00 0.00 H new ATOM 1061 N LEU A 76 159.336 -4.586 8.313 1.00 0.00 N ATOM 1062 CA LEU A 76 160.083 -4.810 7.082 1.00 0.00 C ATOM 1063 C LEU A 76 159.374 -5.828 6.194 1.00 0.00 C ATOM 1064 O LEU A 76 158.801 -6.801 6.683 1.00 0.00 O ATOM 1065 CB LEU A 76 161.499 -5.293 7.399 1.00 0.00 C ATOM 1066 CG LEU A 76 162.527 -4.183 7.624 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.542 -4.599 8.676 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.224 -3.830 6.317 1.00 0.00 C ATOM 0 H LEU A 76 159.799 -4.929 9.155 1.00 0.00 H new ATOM 0 HA LEU A 76 160.142 -3.863 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.462 -5.919 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.843 -5.925 6.580 1.00 0.00 H new ATOM 0 HG LEU A 76 162.004 -3.298 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.265 -3.796 8.822 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.029 -4.801 9.616 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.061 -5.499 8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.952 -3.039 6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.734 -4.711 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.486 -3.487 5.592 1.00 0.00 H new ATOM 1080 N LYS A 77 159.418 -5.596 4.885 1.00 0.00 N ATOM 1081 CA LYS A 77 158.781 -6.493 3.928 1.00 0.00 C ATOM 1082 C LYS A 77 157.274 -6.555 4.159 1.00 0.00 C ATOM 1083 O LYS A 77 156.666 -7.622 4.071 1.00 0.00 O ATOM 1084 CB LYS A 77 159.384 -7.895 4.030 1.00 0.00 C ATOM 1085 CG LYS A 77 160.904 -7.909 3.988 1.00 0.00 C ATOM 1086 CD LYS A 77 161.429 -7.427 2.644 1.00 0.00 C ATOM 1087 CE LYS A 77 162.780 -6.746 2.786 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.531 -6.729 1.501 1.00 0.00 N ATOM 0 H LYS A 77 159.888 -4.795 4.464 1.00 0.00 H new ATOM 0 HA LYS A 77 158.960 -6.101 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.050 -8.358 4.959 1.00 0.00 H new ATOM 0 HB3 LYS A 77 159.001 -8.506 3.213 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.297 -7.274 4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.265 -8.919 4.180 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.516 -8.273 1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.715 -6.733 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.636 -5.724 3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.369 -7.263 3.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.447 -6.256 1.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.691 -7.705 1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.981 -6.214 0.784 1.00 0.00 H new ATOM 1102 N LYS A 78 156.678 -5.405 4.456 1.00 0.00 N ATOM 1103 CA LYS A 78 155.242 -5.330 4.698 1.00 0.00 C ATOM 1104 C LYS A 78 154.699 -3.953 4.332 1.00 0.00 C ATOM 1105 O LYS A 78 153.843 -3.405 5.028 1.00 0.00 O ATOM 1106 CB LYS A 78 154.935 -5.640 6.166 1.00 0.00 C ATOM 1107 CG LYS A 78 155.495 -6.973 6.635 1.00 0.00 C ATOM 1108 CD LYS A 78 155.154 -7.238 8.094 1.00 0.00 C ATOM 1109 CE LYS A 78 154.009 -8.229 8.228 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.330 -8.117 9.549 1.00 0.00 N ATOM 0 H LYS A 78 157.167 -4.513 4.535 1.00 0.00 H new ATOM 0 HA LYS A 78 154.753 -6.072 4.067 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.342 -4.844 6.790 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.855 -5.638 6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.095 -7.775 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.577 -6.980 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 78 156.033 -7.624 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.885 -6.301 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.285 -8.057 7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.389 -9.243 8.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.504 -8.749 9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.992 -8.388 10.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 153.019 -7.136 9.697 1.00 0.00 H new ATOM 1124 N ALA A 79 155.202 -3.396 3.235 1.00 0.00 N ATOM 1125 CA ALA A 79 154.767 -2.084 2.776 1.00 0.00 C ATOM 1126 C ALA A 79 154.653 -2.043 1.255 1.00 0.00 C ATOM 1127 O ALA A 79 155.661 -2.028 0.548 1.00 0.00 O ATOM 1128 CB ALA A 79 155.726 -1.009 3.264 1.00 0.00 C ATOM 0 H ALA A 79 155.912 -3.834 2.648 1.00 0.00 H new ATOM 0 HA ALA A 79 153.779 -1.891 3.193 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.388 -0.034 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.753 -1.013 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.725 -1.209 2.875 1.00 0.00 H new ATOM 1134 N LEU A 80 153.421 -2.027 0.759 1.00 0.00 N ATOM 1135 CA LEU A 80 153.175 -1.988 -0.678 1.00 0.00 C ATOM 1136 C LEU A 80 152.304 -0.792 -1.048 1.00 0.00 C ATOM 1137 O LEU A 80 151.153 -0.696 -0.626 1.00 0.00 O ATOM 1138 CB LEU A 80 152.504 -3.285 -1.136 1.00 0.00 C ATOM 1139 CG LEU A 80 152.136 -3.336 -2.619 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.365 -3.626 -3.465 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.059 -4.382 -2.864 1.00 0.00 C ATOM 0 H LEU A 80 152.577 -2.040 1.331 1.00 0.00 H new ATOM 0 HA LEU A 80 154.135 -1.885 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.170 -4.119 -0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.599 -3.435 -0.548 1.00 0.00 H new ATOM 0 HG LEU A 80 151.743 -2.362 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.083 -3.658 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.106 -2.841 -3.312 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.789 -4.587 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.809 -4.405 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.426 -5.361 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.169 -4.130 -2.287 1.00 0.00 H new ATOM 1153 N PHE A 81 152.863 0.117 -1.841 1.00 0.00 N ATOM 1154 CA PHE A 81 152.138 1.308 -2.268 1.00 0.00 C ATOM 1155 C PHE A 81 151.403 1.057 -3.581 1.00 0.00 C ATOM 1156 O PHE A 81 151.916 0.377 -4.471 1.00 0.00 O ATOM 1157 CB PHE A 81 153.099 2.487 -2.424 1.00 0.00 C ATOM 1158 CG PHE A 81 153.731 2.923 -1.133 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.870 2.294 -0.657 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.185 3.960 -0.395 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.454 2.693 0.531 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.763 4.364 0.794 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.899 3.729 1.258 1.00 0.00 C ATOM 0 H PHE A 81 153.815 0.051 -2.201 1.00 0.00 H new ATOM 0 HA PHE A 81 151.401 1.549 -1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.884 2.214 -3.129 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.560 3.329 -2.858 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.307 1.483 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.297 4.459 -0.753 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.343 2.196 0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.327 5.175 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.352 4.042 2.187 1.00 0.00 H new ATOM 1173 N VAL A 82 150.201 1.611 -3.696 1.00 0.00 N ATOM 1174 CA VAL A 82 149.396 1.450 -4.900 1.00 0.00 C ATOM 1175 C VAL A 82 148.446 2.627 -5.088 1.00 0.00 C ATOM 1176 O VAL A 82 148.236 3.421 -4.169 1.00 0.00 O ATOM 1177 CB VAL A 82 148.577 0.146 -4.859 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.478 -1.058 -5.087 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.835 0.023 -3.537 1.00 0.00 C ATOM 0 H VAL A 82 149.763 2.176 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 82 150.090 1.408 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 82 147.840 0.176 -5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.882 -1.970 -5.055 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.959 -0.973 -6.062 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.240 -1.095 -4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.262 -0.904 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.552 0.016 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.158 0.869 -3.420 1.00 0.00 H new ATOM 1189 N LYS A 83 147.874 2.735 -6.282 1.00 0.00 N ATOM 1190 CA LYS A 83 146.945 3.817 -6.590 1.00 0.00 C ATOM 1191 C LYS A 83 145.663 3.685 -5.774 1.00 0.00 C ATOM 1192 O LYS A 83 144.975 2.666 -5.840 1.00 0.00 O ATOM 1193 CB LYS A 83 146.615 3.825 -8.083 1.00 0.00 C ATOM 1194 CG LYS A 83 147.845 3.823 -8.977 1.00 0.00 C ATOM 1195 CD LYS A 83 147.465 3.755 -10.449 1.00 0.00 C ATOM 1196 CE LYS A 83 148.155 4.845 -11.255 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.563 4.364 -12.604 1.00 0.00 N ATOM 0 H LYS A 83 148.037 2.087 -7.053 1.00 0.00 H new ATOM 0 HA LYS A 83 147.425 4.759 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.005 2.953 -8.317 1.00 0.00 H new ATOM 0 HB3 LYS A 83 146.013 4.705 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.431 4.723 -8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.478 2.973 -8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.735 2.778 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.384 3.854 -10.552 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.484 5.698 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 83 149.034 5.196 -10.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.029 5.136 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.223 3.567 -12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.722 4.053 -13.131 1.00 0.00 H new ATOM 1211 N LEU A 84 145.351 4.722 -5.006 1.00 0.00 N ATOM 1212 CA LEU A 84 144.153 4.729 -4.174 1.00 0.00 C ATOM 1213 C LEU A 84 142.897 4.559 -5.024 1.00 0.00 C ATOM 1214 O LEU A 84 141.895 4.013 -4.564 1.00 0.00 O ATOM 1215 CB LEU A 84 144.074 6.032 -3.377 1.00 0.00 C ATOM 1216 CG LEU A 84 142.801 6.209 -2.545 1.00 0.00 C ATOM 1217 CD1 LEU A 84 142.854 5.339 -1.299 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.610 7.670 -2.171 1.00 0.00 C ATOM 0 H LEU A 84 145.912 5.571 -4.942 1.00 0.00 H new ATOM 0 HA LEU A 84 144.214 3.889 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.935 6.085 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.156 6.869 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 84 141.948 5.894 -3.146 1.00 0.00 H new ATOM 0 HD11 LEU A 84 141.941 5.477 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 84 142.944 4.292 -1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.715 5.623 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.701 7.778 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.465 8.011 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.527 8.270 -3.077 1.00 0.00 H new ATOM 1230 N LYS A 85 142.959 5.029 -6.266 1.00 0.00 N ATOM 1231 CA LYS A 85 141.824 4.929 -7.178 1.00 0.00 C ATOM 1232 C LYS A 85 141.496 3.470 -7.482 1.00 0.00 C ATOM 1233 O LYS A 85 140.349 3.130 -7.773 1.00 0.00 O ATOM 1234 CB LYS A 85 142.121 5.677 -8.479 1.00 0.00 C ATOM 1235 CG LYS A 85 143.275 5.088 -9.271 1.00 0.00 C ATOM 1236 CD LYS A 85 143.806 6.071 -10.302 1.00 0.00 C ATOM 1237 CE LYS A 85 143.372 5.694 -11.709 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.416 6.020 -12.719 1.00 0.00 N ATOM 0 H LYS A 85 143.782 5.482 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 85 140.960 5.384 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.226 5.675 -9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.345 6.718 -8.246 1.00 0.00 H new ATOM 0 HG2 LYS A 85 144.078 4.805 -8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.946 4.177 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 85 143.449 7.074 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.894 6.100 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 85 143.151 4.627 -11.747 1.00 0.00 H new ATOM 0 HE3 LYS A 85 142.450 6.220 -11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 144.081 5.747 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.609 7.042 -12.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 145.288 5.499 -12.497 1.00 0.00 H new ATOM 1252 N SER A 86 142.509 2.612 -7.413 1.00 0.00 N ATOM 1253 CA SER A 86 142.324 1.190 -7.681 1.00 0.00 C ATOM 1254 C SER A 86 142.256 0.396 -6.381 1.00 0.00 C ATOM 1255 O SER A 86 142.707 -0.748 -6.314 1.00 0.00 O ATOM 1256 CB SER A 86 143.464 0.661 -8.554 1.00 0.00 C ATOM 1257 OG SER A 86 143.828 1.607 -9.546 1.00 0.00 O ATOM 0 H SER A 86 143.465 2.876 -7.174 1.00 0.00 H new ATOM 0 HA SER A 86 141.380 1.066 -8.212 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.328 0.433 -7.930 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.159 -0.271 -9.030 1.00 0.00 H new ATOM 0 HG SER A 86 144.559 1.246 -10.089 1.00 0.00 H new ATOM 1263 N CYS A 87 141.689 1.011 -5.347 1.00 0.00 N ATOM 1264 CA CYS A 87 141.562 0.362 -4.047 1.00 0.00 C ATOM 1265 C CYS A 87 140.106 0.024 -3.747 1.00 0.00 C ATOM 1266 O CYS A 87 139.191 0.546 -4.385 1.00 0.00 O ATOM 1267 CB CYS A 87 142.126 1.263 -2.946 1.00 0.00 C ATOM 1268 SG CYS A 87 143.933 1.305 -2.880 1.00 0.00 S ATOM 0 H CYS A 87 141.311 1.957 -5.385 1.00 0.00 H new ATOM 0 HA CYS A 87 142.133 -0.566 -4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.755 2.277 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.746 0.923 -1.983 1.00 0.00 H new ATOM 0 HG CYS A 87 144.396 1.813 -3.984 1.00 0.00 H new ATOM 1274 N ARG A 88 139.898 -0.854 -2.772 1.00 0.00 N ATOM 1275 CA ARG A 88 138.553 -1.266 -2.385 1.00 0.00 C ATOM 1276 C ARG A 88 138.447 -1.417 -0.869 1.00 0.00 C ATOM 1277 O ARG A 88 139.403 -1.831 -0.212 1.00 0.00 O ATOM 1278 CB ARG A 88 138.183 -2.584 -3.071 1.00 0.00 C ATOM 1279 CG ARG A 88 137.314 -2.402 -4.306 1.00 0.00 C ATOM 1280 CD ARG A 88 135.890 -2.876 -4.063 1.00 0.00 C ATOM 1281 NE ARG A 88 134.910 -2.045 -4.758 1.00 0.00 N ATOM 1282 CZ ARG A 88 133.621 -2.356 -4.870 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.152 -3.476 -4.333 1.00 0.00 N ATOM 1284 NH2 ARG A 88 132.797 -1.545 -5.519 1.00 0.00 N ATOM 0 H ARG A 88 140.644 -1.295 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 88 137.855 -0.492 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.097 -3.107 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.659 -3.221 -2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.304 -1.350 -4.593 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.745 -2.956 -5.140 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.790 -3.909 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.682 -2.864 -2.993 1.00 0.00 H new ATOM 0 HE ARG A 88 135.233 -1.175 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.781 -4.103 -3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 88 132.163 -3.709 -4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.151 -0.682 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 88 131.809 -1.784 -5.605 1.00 0.00 H new ATOM 1298 N PRO A 89 137.281 -1.084 -0.289 1.00 0.00 N ATOM 1299 CA PRO A 89 137.064 -1.190 1.153 1.00 0.00 C ATOM 1300 C PRO A 89 137.008 -2.639 1.622 1.00 0.00 C ATOM 1301 O PRO A 89 136.039 -3.351 1.359 1.00 0.00 O ATOM 1302 CB PRO A 89 135.714 -0.504 1.370 1.00 0.00 C ATOM 1303 CG PRO A 89 135.018 -0.570 0.057 1.00 0.00 C ATOM 1304 CD PRO A 89 136.088 -0.585 -0.997 1.00 0.00 C ATOM 0 HA PRO A 89 137.877 -0.736 1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.138 -1.009 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.846 0.529 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.398 -1.464 -0.008 1.00 0.00 H new ATOM 0 HG3 PRO A 89 134.357 0.287 -0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.818 -1.234 -1.830 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.256 0.410 -1.409 1.00 0.00 H new ATOM 1312 N ASP A 90 138.054 -3.069 2.319 1.00 0.00 N ATOM 1313 CA ASP A 90 138.128 -4.434 2.825 1.00 0.00 C ATOM 1314 C ASP A 90 137.164 -4.636 3.990 1.00 0.00 C ATOM 1315 O ASP A 90 137.120 -3.830 4.918 1.00 0.00 O ATOM 1316 CB ASP A 90 139.555 -4.759 3.267 1.00 0.00 C ATOM 1317 CG ASP A 90 139.889 -6.229 3.108 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.585 -6.796 2.037 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.457 -6.814 4.055 1.00 0.00 O ATOM 0 H ASP A 90 138.863 -2.491 2.547 1.00 0.00 H new ATOM 0 HA ASP A 90 137.842 -5.110 2.019 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.258 -4.164 2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.684 -4.471 4.310 1.00 0.00 H new ATOM 1324 N SER A 91 136.396 -5.720 3.935 1.00 0.00 N ATOM 1325 CA SER A 91 135.434 -6.029 4.986 1.00 0.00 C ATOM 1326 C SER A 91 135.792 -7.340 5.682 1.00 0.00 C ATOM 1327 O SER A 91 134.923 -8.023 6.222 1.00 0.00 O ATOM 1328 CB SER A 91 134.023 -6.119 4.404 1.00 0.00 C ATOM 1329 OG SER A 91 133.050 -5.735 5.359 1.00 0.00 O ATOM 0 H SER A 91 136.422 -6.398 3.174 1.00 0.00 H new ATOM 0 HA SER A 91 135.467 -5.225 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.947 -5.478 3.526 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.828 -7.139 4.072 1.00 0.00 H new ATOM 0 HG SER A 91 132.157 -5.800 4.961 1.00 0.00 H new ATOM 1335 N ARG A 92 137.076 -7.684 5.665 1.00 0.00 N ATOM 1336 CA ARG A 92 137.546 -8.913 6.293 1.00 0.00 C ATOM 1337 C ARG A 92 137.347 -8.863 7.804 1.00 0.00 C ATOM 1338 O ARG A 92 137.151 -9.893 8.448 1.00 0.00 O ATOM 1339 CB ARG A 92 139.023 -9.143 5.969 1.00 0.00 C ATOM 1340 CG ARG A 92 139.262 -9.692 4.571 1.00 0.00 C ATOM 1341 CD ARG A 92 140.006 -11.019 4.610 1.00 0.00 C ATOM 1342 NE ARG A 92 139.227 -12.063 5.272 1.00 0.00 N ATOM 1343 CZ ARG A 92 139.480 -13.364 5.153 1.00 0.00 C ATOM 1344 NH1 ARG A 92 140.489 -13.785 4.400 1.00 0.00 N ATOM 1345 NH2 ARG A 92 138.723 -14.248 5.790 1.00 0.00 N ATOM 0 H ARG A 92 137.809 -7.129 5.223 1.00 0.00 H new ATOM 0 HA ARG A 92 136.960 -9.742 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.561 -8.201 6.077 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.443 -9.835 6.699 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.307 -9.825 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 92 139.835 -8.970 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.242 -11.332 3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.954 -10.888 5.132 1.00 0.00 H new ATOM 0 HE ARG A 92 138.444 -11.778 5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 92 141.075 -13.110 3.909 1.00 0.00 H new ATOM 0 HH12 ARG A 92 140.678 -14.783 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 92 137.947 -13.930 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 92 138.917 -15.245 5.699 1.00 0.00 H new ATOM 1359 N PHE A 93 137.397 -7.659 8.364 1.00 0.00 N ATOM 1360 CA PHE A 93 137.223 -7.476 9.800 1.00 0.00 C ATOM 1361 C PHE A 93 135.885 -6.812 10.112 1.00 0.00 C ATOM 1362 O PHE A 93 135.734 -6.155 11.142 1.00 0.00 O ATOM 1363 CB PHE A 93 138.367 -6.637 10.371 1.00 0.00 C ATOM 1364 CG PHE A 93 139.721 -7.254 10.173 1.00 0.00 C ATOM 1365 CD1 PHE A 93 140.279 -7.342 8.908 1.00 0.00 C ATOM 1366 CD2 PHE A 93 140.437 -7.747 11.253 1.00 0.00 C ATOM 1367 CE1 PHE A 93 141.526 -7.910 8.722 1.00 0.00 C ATOM 1368 CE2 PHE A 93 141.684 -8.317 11.074 1.00 0.00 C ATOM 1369 CZ PHE A 93 142.229 -8.398 9.806 1.00 0.00 C ATOM 0 H PHE A 93 137.557 -6.795 7.845 1.00 0.00 H new ATOM 0 HA PHE A 93 137.234 -8.461 10.267 1.00 0.00 H new ATOM 0 HB2 PHE A 93 138.353 -5.653 9.903 1.00 0.00 H new ATOM 0 HB3 PHE A 93 138.198 -6.485 11.437 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.733 -6.962 8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 93 140.016 -7.685 12.246 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.950 -7.972 7.730 1.00 0.00 H new ATOM 0 HE2 PHE A 93 142.231 -8.698 11.923 1.00 0.00 H new ATOM 0 HZ PHE A 93 143.203 -8.842 9.663 1.00 0.00 H new ATOM 1379 N ALA A 94 134.916 -6.986 9.218 1.00 0.00 N ATOM 1380 CA ALA A 94 133.595 -6.401 9.405 1.00 0.00 C ATOM 1381 C ALA A 94 132.702 -7.316 10.237 1.00 0.00 C ATOM 1382 O ALA A 94 132.468 -8.468 9.874 1.00 0.00 O ATOM 1383 CB ALA A 94 132.949 -6.115 8.058 1.00 0.00 C ATOM 0 H ALA A 94 135.022 -7.526 8.359 1.00 0.00 H new ATOM 0 HA ALA A 94 133.714 -5.462 9.946 1.00 0.00 H new ATOM 0 HB1 ALA A 94 131.962 -5.678 8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 94 133.571 -5.417 7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.850 -7.044 7.497 1.00 0.00 H new ATOM 1389 N SER A 95 132.209 -6.796 11.355 1.00 0.00 N ATOM 1390 CA SER A 95 131.342 -7.566 12.239 1.00 0.00 C ATOM 1391 C SER A 95 129.945 -7.708 11.644 1.00 0.00 C ATOM 1392 O SER A 95 129.179 -6.746 11.599 1.00 0.00 O ATOM 1393 CB SER A 95 131.257 -6.899 13.614 1.00 0.00 C ATOM 1394 OG SER A 95 132.407 -7.186 14.392 1.00 0.00 O ATOM 0 H SER A 95 132.395 -5.844 11.671 1.00 0.00 H new ATOM 0 HA SER A 95 131.773 -8.561 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 95 131.156 -5.820 13.493 1.00 0.00 H new ATOM 0 HB3 SER A 95 130.365 -7.246 14.136 1.00 0.00 H new ATOM 0 HG SER A 95 132.329 -6.747 15.265 1.00 0.00 H new ATOM 1400 N LEU A 96 129.621 -8.914 11.189 1.00 0.00 N ATOM 1401 CA LEU A 96 128.316 -9.182 10.596 1.00 0.00 C ATOM 1402 C LEU A 96 127.644 -10.372 11.274 1.00 0.00 C ATOM 1403 O LEU A 96 126.893 -11.115 10.643 1.00 0.00 O ATOM 1404 CB LEU A 96 128.460 -9.448 9.096 1.00 0.00 C ATOM 1405 CG LEU A 96 127.305 -8.937 8.233 1.00 0.00 C ATOM 1406 CD1 LEU A 96 127.553 -7.499 7.806 1.00 0.00 C ATOM 1407 CD2 LEU A 96 127.113 -9.831 7.018 1.00 0.00 C ATOM 0 H LEU A 96 130.244 -9.721 11.220 1.00 0.00 H new ATOM 0 HA LEU A 96 127.689 -8.302 10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 96 129.385 -8.987 8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 96 128.561 -10.522 8.941 1.00 0.00 H new ATOM 0 HG LEU A 96 126.392 -8.964 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 96 126.721 -7.153 7.193 1.00 0.00 H new ATOM 0 HD12 LEU A 96 127.640 -6.867 8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 96 128.476 -7.445 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 96 126.287 -9.453 6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 96 128.025 -9.836 6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 96 126.888 -10.846 7.345 1.00 0.00 H new ATOM 1419 N GLN A 97 127.920 -10.544 12.562 1.00 0.00 N ATOM 1420 CA GLN A 97 127.342 -11.644 13.326 1.00 0.00 C ATOM 1421 C GLN A 97 126.857 -11.162 14.692 1.00 0.00 C ATOM 1422 O GLN A 97 127.477 -11.447 15.717 1.00 0.00 O ATOM 1423 CB GLN A 97 128.367 -12.766 13.501 1.00 0.00 C ATOM 1424 CG GLN A 97 127.750 -14.100 13.891 1.00 0.00 C ATOM 1425 CD GLN A 97 127.539 -15.014 12.701 1.00 0.00 C ATOM 1426 OE1 GLN A 97 128.421 -15.789 12.335 1.00 0.00 O ATOM 1427 NE2 GLN A 97 126.362 -14.926 12.090 1.00 0.00 N ATOM 0 H GLN A 97 128.540 -9.937 13.099 1.00 0.00 H new ATOM 0 HA GLN A 97 126.486 -12.028 12.772 1.00 0.00 H new ATOM 0 HB2 GLN A 97 128.920 -12.890 12.570 1.00 0.00 H new ATOM 0 HB3 GLN A 97 129.088 -12.472 14.264 1.00 0.00 H new ATOM 0 HG2 GLN A 97 128.395 -14.596 14.616 1.00 0.00 H new ATOM 0 HG3 GLN A 97 126.794 -13.924 14.383 1.00 0.00 H new ATOM 0 HE21 GLN A 97 125.660 -14.268 12.428 1.00 0.00 H new ATOM 0 HE22 GLN A 97 126.161 -15.516 11.283 1.00 0.00 H new ATOM 1436 N PRO A 98 125.735 -10.422 14.723 1.00 0.00 N ATOM 1437 CA PRO A 98 125.168 -9.901 15.972 1.00 0.00 C ATOM 1438 C PRO A 98 124.976 -10.992 17.021 1.00 0.00 C ATOM 1439 O PRO A 98 125.270 -12.161 16.775 1.00 0.00 O ATOM 1440 CB PRO A 98 123.815 -9.331 15.539 1.00 0.00 C ATOM 1441 CG PRO A 98 123.984 -9.006 14.096 1.00 0.00 C ATOM 1442 CD PRO A 98 124.932 -10.038 13.547 1.00 0.00 C ATOM 0 HA PRO A 98 125.823 -9.167 16.441 1.00 0.00 H new ATOM 0 HB2 PRO A 98 123.014 -10.055 15.690 1.00 0.00 H new ATOM 0 HB3 PRO A 98 123.556 -8.444 16.117 1.00 0.00 H new ATOM 0 HG2 PRO A 98 123.028 -9.038 13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 98 124.384 -8.000 13.967 1.00 0.00 H new ATOM 0 HD2 PRO A 98 124.399 -10.891 13.128 1.00 0.00 H new ATOM 0 HD3 PRO A 98 125.555 -9.629 12.751 1.00 0.00 H new ATOM 1450 N SER A 99 124.481 -10.600 18.190 1.00 0.00 N ATOM 1451 CA SER A 99 124.250 -11.544 19.276 1.00 0.00 C ATOM 1452 C SER A 99 123.171 -11.029 20.225 1.00 0.00 C ATOM 1453 O SER A 99 123.050 -9.825 20.446 1.00 0.00 O ATOM 1454 CB SER A 99 125.546 -11.794 20.048 1.00 0.00 C ATOM 1455 OG SER A 99 126.246 -12.909 19.523 1.00 0.00 O ATOM 0 H SER A 99 124.232 -9.635 18.409 1.00 0.00 H new ATOM 0 HA SER A 99 123.908 -12.483 18.840 1.00 0.00 H new ATOM 0 HB2 SER A 99 126.179 -10.908 19.999 1.00 0.00 H new ATOM 0 HB3 SER A 99 125.319 -11.966 21.100 1.00 0.00 H new ATOM 0 HG SER A 99 126.115 -12.950 18.553 1.00 0.00 H new ATOM 1461 N GLY A 100 122.391 -11.949 20.781 1.00 0.00 N ATOM 1462 CA GLY A 100 121.333 -11.568 21.698 1.00 0.00 C ATOM 1463 C GLY A 100 120.669 -12.768 22.350 1.00 0.00 C ATOM 1464 O GLY A 100 120.882 -13.029 23.534 1.00 0.00 O ATOM 0 H GLY A 100 122.472 -12.952 20.613 1.00 0.00 H new ATOM 0 HA2 GLY A 100 121.743 -10.919 22.472 1.00 0.00 H new ATOM 0 HA3 GLY A 100 120.582 -10.989 21.161 1.00 0.00 H new ATOM 1468 N PRO A 101 119.853 -13.522 21.595 1.00 0.00 N ATOM 1469 CA PRO A 101 119.160 -14.704 22.119 1.00 0.00 C ATOM 1470 C PRO A 101 120.116 -15.855 22.408 1.00 0.00 C ATOM 1471 O PRO A 101 120.667 -16.463 21.490 1.00 0.00 O ATOM 1472 CB PRO A 101 118.195 -15.080 20.993 1.00 0.00 C ATOM 1473 CG PRO A 101 118.825 -14.540 19.758 1.00 0.00 C ATOM 1474 CD PRO A 101 119.542 -13.284 20.172 1.00 0.00 C ATOM 0 HA PRO A 101 118.667 -14.499 23.069 1.00 0.00 H new ATOM 0 HB2 PRO A 101 118.062 -16.160 20.930 1.00 0.00 H new ATOM 0 HB3 PRO A 101 117.208 -14.646 21.156 1.00 0.00 H new ATOM 0 HG2 PRO A 101 119.519 -15.261 19.327 1.00 0.00 H new ATOM 0 HG3 PRO A 101 118.073 -14.327 18.998 1.00 0.00 H new ATOM 0 HD2 PRO A 101 120.446 -13.125 19.584 1.00 0.00 H new ATOM 0 HD3 PRO A 101 118.916 -12.402 20.039 1.00 0.00 H new ATOM 1482 N SER A 102 120.309 -16.151 23.689 1.00 0.00 N ATOM 1483 CA SER A 102 121.200 -17.231 24.099 1.00 0.00 C ATOM 1484 C SER A 102 120.630 -18.587 23.699 1.00 0.00 C ATOM 1485 O SER A 102 119.414 -18.780 23.677 1.00 0.00 O ATOM 1486 CB SER A 102 121.427 -17.187 25.611 1.00 0.00 C ATOM 1487 OG SER A 102 122.349 -18.183 26.017 1.00 0.00 O ATOM 0 H SER A 102 119.861 -15.658 24.461 1.00 0.00 H new ATOM 0 HA SER A 102 122.155 -17.093 23.591 1.00 0.00 H new ATOM 0 HB2 SER A 102 121.800 -16.204 25.898 1.00 0.00 H new ATOM 0 HB3 SER A 102 120.479 -17.332 26.129 1.00 0.00 H new ATOM 0 HG SER A 102 122.478 -18.133 26.987 1.00 0.00 H new ATOM 1493 N SER A 103 121.516 -19.526 23.382 1.00 0.00 N ATOM 1494 CA SER A 103 121.102 -20.866 22.981 1.00 0.00 C ATOM 1495 C SER A 103 121.823 -21.928 23.805 1.00 0.00 C ATOM 1496 O SER A 103 123.042 -22.072 23.719 1.00 0.00 O ATOM 1497 CB SER A 103 121.377 -21.085 21.493 1.00 0.00 C ATOM 1498 OG SER A 103 120.252 -20.729 20.707 1.00 0.00 O ATOM 0 H SER A 103 122.526 -19.383 23.395 1.00 0.00 H new ATOM 0 HA SER A 103 120.031 -20.957 23.162 1.00 0.00 H new ATOM 0 HB2 SER A 103 122.239 -20.492 21.188 1.00 0.00 H new ATOM 0 HB3 SER A 103 121.631 -22.130 21.317 1.00 0.00 H new ATOM 0 HG SER A 103 120.455 -20.877 19.760 1.00 0.00 H new ATOM 1504 N GLY A 104 121.061 -22.669 24.603 1.00 0.00 N ATOM 1505 CA GLY A 104 121.646 -23.707 25.431 1.00 0.00 C ATOM 1506 C GLY A 104 122.322 -23.152 26.668 1.00 0.00 C ATOM 1507 O GLY A 104 123.503 -22.755 26.571 1.00 0.00 O ATOM 1508 OXT GLY A 104 121.672 -23.112 27.733 1.00 0.00 O ATOM 0 H GLY A 104 120.050 -22.569 24.691 1.00 0.00 H new ATOM 0 HA2 GLY A 104 120.868 -24.409 25.730 1.00 0.00 H new ATOM 0 HA3 GLY A 104 122.374 -24.268 24.844 1.00 0.00 H new TER 1512 GLY A 104