USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1000 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 106 SER OG : rot 174:sc= 0.275! USER MOD Set 1.2: A 133 SER OG : rot 180:sc= 0.15 USER MOD Set 2.1: A 98 THR OG1 : rot 111:sc= 0.249 USER MOD Set 2.2: A 103 SER OG : rot -160:sc= -0.971 USER MOD Set 3.1: A 54 ASN : amide:sc= -0.827 K(o=-0.83,f=-6.8!) USER MOD Set 3.2: A 56 THR OG1 : rot 180:sc=0.000524 USER MOD Set 4.1: A 8 SER OG : rot -130:sc=0.000707 USER MOD Set 4.2: A 39 ASN : amide:sc= 0.426 K(o=0.43,f=-4.6!) USER MOD Set 5.1: A 11 GLN : amide:sc= -0.0161 X(o=0.66,f=0.51) USER MOD Set 5.2: A 38 SER OG : rot 19:sc= 0.679 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.115 (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 55:sc= 1.25 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.31 F(o=-5.7!,f=-3.3) USER MOD Single : A 17 TYR OH : rot -15:sc= -1.37! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -42:sc= -2.97! USER MOD Single : A 23 CYS SG : rot 180:sc= -1.06 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot -104:sc= 0.204 USER MOD Single : A 46 CYS SG : rot 180:sc= 0.0113 USER MOD Single : A 47 TYR OH : rot 180:sc=-0.00142 USER MOD Single : A 49 GLN : amide:sc= -0.73 K(o=-0.73,f=-11!) USER MOD Single : A 51 SER OG : rot -10:sc= -1.52 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : A 63 THR OG1 : rot 125:sc= 1.04 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.19) USER MOD Single : A 71 HIS : no HE2:sc= -0.887 K(o=-0.89,f=-2.2!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.395 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -171:sc= -1.85! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -5.02! C(o=-5!,f=-8.1!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 47:sc= 1.07 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.500 -1.740 18.655 1.00 0.00 N ATOM 2 CA GLY A 1 26.842 -0.519 18.221 1.00 0.00 C ATOM 3 C GLY A 1 26.668 -0.499 16.701 1.00 0.00 C ATOM 4 O GLY A 1 27.007 -1.467 16.022 1.00 0.00 O ATOM 0 H1 GLY A 1 26.913 -2.216 19.370 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.632 -2.372 17.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.426 -1.508 19.067 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.868 -0.436 18.703 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.428 0.345 18.535 1.00 0.00 H new ATOM 8 N SER A 2 26.140 0.613 16.212 1.00 0.00 N ATOM 9 CA SER A 2 25.917 0.771 14.785 1.00 0.00 C ATOM 10 C SER A 2 25.901 2.257 14.420 1.00 0.00 C ATOM 11 O SER A 2 25.782 3.114 15.294 1.00 0.00 O ATOM 12 CB SER A 2 24.609 0.105 14.355 1.00 0.00 C ATOM 13 OG SER A 2 24.677 -0.395 13.022 1.00 0.00 O ATOM 0 H SER A 2 25.860 1.414 16.779 1.00 0.00 H new ATOM 0 HA SER A 2 26.734 0.281 14.255 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.377 -0.713 15.037 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.794 0.825 14.431 1.00 0.00 H new ATOM 0 HG SER A 2 23.823 -0.814 12.786 1.00 0.00 H new ATOM 19 N SER A 3 26.023 2.517 13.126 1.00 0.00 N ATOM 20 CA SER A 3 26.024 3.884 12.635 1.00 0.00 C ATOM 21 C SER A 3 25.822 3.895 11.118 1.00 0.00 C ATOM 22 O SER A 3 25.882 2.849 10.473 1.00 0.00 O ATOM 23 CB SER A 3 27.326 4.600 13.001 1.00 0.00 C ATOM 24 OG SER A 3 28.434 4.111 12.251 1.00 0.00 O ATOM 0 H SER A 3 26.122 1.804 12.403 1.00 0.00 H new ATOM 0 HA SER A 3 25.201 4.418 13.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 27.213 5.670 12.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.524 4.471 14.065 1.00 0.00 H new ATOM 0 HG SER A 3 29.245 4.595 12.513 1.00 0.00 H new ATOM 30 N GLY A 4 25.585 5.088 10.593 1.00 0.00 N ATOM 31 CA GLY A 4 25.373 5.248 9.165 1.00 0.00 C ATOM 32 C GLY A 4 25.657 6.687 8.727 1.00 0.00 C ATOM 33 O GLY A 4 26.202 7.478 9.495 1.00 0.00 O ATOM 0 H GLY A 4 25.535 5.953 11.131 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.021 4.563 8.618 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.346 4.984 8.914 1.00 0.00 H new ATOM 37 N SER A 5 25.274 6.982 7.493 1.00 0.00 N ATOM 38 CA SER A 5 25.480 8.311 6.943 1.00 0.00 C ATOM 39 C SER A 5 24.790 8.427 5.582 1.00 0.00 C ATOM 40 O SER A 5 24.516 7.419 4.933 1.00 0.00 O ATOM 41 CB SER A 5 26.971 8.628 6.812 1.00 0.00 C ATOM 42 OG SER A 5 27.515 9.148 8.022 1.00 0.00 O ATOM 0 H SER A 5 24.822 6.323 6.859 1.00 0.00 H new ATOM 0 HA SER A 5 25.041 9.037 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.511 7.723 6.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.119 9.350 6.009 1.00 0.00 H new ATOM 0 HG SER A 5 27.333 8.525 8.757 1.00 0.00 H new ATOM 48 N SER A 6 24.530 9.666 5.191 1.00 0.00 N ATOM 49 CA SER A 6 23.878 9.927 3.919 1.00 0.00 C ATOM 50 C SER A 6 23.810 11.434 3.665 1.00 0.00 C ATOM 51 O SER A 6 23.943 12.230 4.593 1.00 0.00 O ATOM 52 CB SER A 6 22.474 9.319 3.884 1.00 0.00 C ATOM 53 OG SER A 6 22.232 8.604 2.676 1.00 0.00 O ATOM 0 H SER A 6 24.759 10.500 5.732 1.00 0.00 H new ATOM 0 HA SER A 6 24.467 9.458 3.131 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.348 8.648 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.733 10.111 3.991 1.00 0.00 H new ATOM 0 HG SER A 6 21.326 8.230 2.693 1.00 0.00 H new ATOM 59 N GLY A 7 23.602 11.781 2.403 1.00 0.00 N ATOM 60 CA GLY A 7 23.515 13.179 2.016 1.00 0.00 C ATOM 61 C GLY A 7 23.237 13.316 0.518 1.00 0.00 C ATOM 62 O GLY A 7 23.666 12.481 -0.276 1.00 0.00 O ATOM 0 H GLY A 7 23.491 11.118 1.636 1.00 0.00 H new ATOM 0 HA2 GLY A 7 22.723 13.668 2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 7 24.446 13.688 2.265 1.00 0.00 H new ATOM 66 N SER A 8 22.519 14.377 0.176 1.00 0.00 N ATOM 67 CA SER A 8 22.179 14.634 -1.213 1.00 0.00 C ATOM 68 C SER A 8 21.456 15.977 -1.334 1.00 0.00 C ATOM 69 O SER A 8 21.032 16.551 -0.332 1.00 0.00 O ATOM 70 CB SER A 8 21.312 13.511 -1.785 1.00 0.00 C ATOM 71 OG SER A 8 20.066 13.397 -1.102 1.00 0.00 O ATOM 0 H SER A 8 22.164 15.068 0.837 1.00 0.00 H new ATOM 0 HA SER A 8 23.103 14.672 -1.790 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.129 13.697 -2.843 1.00 0.00 H new ATOM 0 HB3 SER A 8 21.851 12.566 -1.716 1.00 0.00 H new ATOM 0 HG SER A 8 19.917 12.463 -0.846 1.00 0.00 H new ATOM 77 N TRP A 9 21.336 16.439 -2.570 1.00 0.00 N ATOM 78 CA TRP A 9 20.672 17.704 -2.835 1.00 0.00 C ATOM 79 C TRP A 9 20.516 17.848 -4.350 1.00 0.00 C ATOM 80 O TRP A 9 21.494 18.085 -5.058 1.00 0.00 O ATOM 81 CB TRP A 9 21.434 18.868 -2.199 1.00 0.00 C ATOM 82 CG TRP A 9 22.469 19.513 -3.123 1.00 0.00 C ATOM 83 CD1 TRP A 9 23.621 18.989 -3.565 1.00 0.00 C ATOM 84 CD2 TRP A 9 22.400 20.832 -3.704 1.00 0.00 C ATOM 85 NE1 TRP A 9 24.295 19.870 -4.385 1.00 0.00 N ATOM 86 CE2 TRP A 9 23.529 21.026 -4.472 1.00 0.00 C ATOM 87 CE3 TRP A 9 21.415 21.828 -3.584 1.00 0.00 C ATOM 88 CZ2 TRP A 9 23.781 22.208 -5.180 1.00 0.00 C ATOM 89 CZ3 TRP A 9 21.681 23.003 -4.298 1.00 0.00 C ATOM 90 CH2 TRP A 9 22.813 23.214 -5.076 1.00 0.00 C ATOM 0 H TRP A 9 21.687 15.960 -3.399 1.00 0.00 H new ATOM 0 HA TRP A 9 19.682 17.722 -2.380 1.00 0.00 H new ATOM 0 HB2 TRP A 9 20.719 19.628 -1.884 1.00 0.00 H new ATOM 0 HB3 TRP A 9 21.937 18.512 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 9 23.977 18.001 -3.311 1.00 0.00 H new ATOM 0 HE1 TRP A 9 25.191 19.703 -4.843 1.00 0.00 H new ATOM 0 HE3 TRP A 9 20.524 21.697 -2.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 24.674 22.336 -5.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 20.956 23.801 -4.240 1.00 0.00 H new ATOM 0 HH2 TRP A 9 22.945 24.150 -5.598 1.00 0.00 H new ATOM 101 N ASN A 10 19.280 17.697 -4.803 1.00 0.00 N ATOM 102 CA ASN A 10 18.985 17.808 -6.222 1.00 0.00 C ATOM 103 C ASN A 10 17.468 17.807 -6.423 1.00 0.00 C ATOM 104 O ASN A 10 16.920 18.717 -7.044 1.00 0.00 O ATOM 105 CB ASN A 10 19.565 16.625 -6.999 1.00 0.00 C ATOM 106 CG ASN A 10 19.840 17.007 -8.455 1.00 0.00 C ATOM 107 OD1 ASN A 10 19.227 17.900 -9.015 1.00 0.00 O ATOM 108 ND2 ASN A 10 20.794 16.283 -9.033 1.00 0.00 N ATOM 0 H ASN A 10 18.472 17.499 -4.213 1.00 0.00 H new ATOM 0 HA ASN A 10 19.430 18.733 -6.588 1.00 0.00 H new ATOM 0 HB2 ASN A 10 20.489 16.292 -6.526 1.00 0.00 H new ATOM 0 HB3 ASN A 10 18.869 15.786 -6.964 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.052 16.461 -10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.268 15.550 -8.506 1.00 0.00 H new ATOM 115 N GLN A 11 16.832 16.775 -5.888 1.00 0.00 N ATOM 116 CA GLN A 11 15.390 16.644 -6.001 1.00 0.00 C ATOM 117 C GLN A 11 14.834 15.847 -4.819 1.00 0.00 C ATOM 118 O GLN A 11 15.589 15.209 -4.087 1.00 0.00 O ATOM 119 CB GLN A 11 15.001 15.995 -7.331 1.00 0.00 C ATOM 120 CG GLN A 11 14.079 16.911 -8.139 1.00 0.00 C ATOM 121 CD GLN A 11 14.282 16.706 -9.642 1.00 0.00 C ATOM 122 OE1 GLN A 11 14.245 15.599 -10.154 1.00 0.00 O ATOM 123 NE2 GLN A 11 14.498 17.831 -10.317 1.00 0.00 N ATOM 0 H GLN A 11 17.290 16.022 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 11 14.952 17.642 -5.979 1.00 0.00 H new ATOM 0 HB2 GLN A 11 15.899 15.775 -7.909 1.00 0.00 H new ATOM 0 HB3 GLN A 11 14.502 15.044 -7.144 1.00 0.00 H new ATOM 0 HG2 GLN A 11 13.040 16.709 -7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 11 14.276 17.951 -7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.516 18.725 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.645 17.800 -11.326 1.00 0.00 H new ATOM 132 N ALA A 12 13.519 15.909 -4.670 1.00 0.00 N ATOM 133 CA ALA A 12 12.854 15.201 -3.590 1.00 0.00 C ATOM 134 C ALA A 12 12.230 13.916 -4.136 1.00 0.00 C ATOM 135 O ALA A 12 11.981 13.804 -5.336 1.00 0.00 O ATOM 136 CB ALA A 12 11.820 16.120 -2.937 1.00 0.00 C ATOM 0 H ALA A 12 12.896 16.439 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 12 13.570 14.917 -2.819 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.321 15.589 -2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.319 17.004 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.082 16.424 -3.680 1.00 0.00 H new ATOM 142 N PRO A 13 11.989 12.953 -3.206 1.00 0.00 N ATOM 143 CA PRO A 13 11.399 11.680 -3.583 1.00 0.00 C ATOM 144 C PRO A 13 9.902 11.831 -3.864 1.00 0.00 C ATOM 145 O PRO A 13 9.165 12.375 -3.043 1.00 0.00 O ATOM 146 CB PRO A 13 11.693 10.750 -2.417 1.00 0.00 C ATOM 147 CG PRO A 13 12.025 11.650 -1.239 1.00 0.00 C ATOM 148 CD PRO A 13 12.271 13.050 -1.777 1.00 0.00 C ATOM 0 HA PRO A 13 11.815 11.281 -4.508 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.833 10.118 -2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.526 10.086 -2.648 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.206 11.656 -0.520 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.907 11.282 -0.714 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.621 13.780 -1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.298 13.369 -1.597 1.00 0.00 H new ATOM 156 N LYS A 14 9.499 11.341 -5.027 1.00 0.00 N ATOM 157 CA LYS A 14 8.104 11.415 -5.427 1.00 0.00 C ATOM 158 C LYS A 14 7.518 10.002 -5.482 1.00 0.00 C ATOM 159 O LYS A 14 8.213 9.051 -5.834 1.00 0.00 O ATOM 160 CB LYS A 14 7.962 12.191 -6.738 1.00 0.00 C ATOM 161 CG LYS A 14 7.459 13.613 -6.482 1.00 0.00 C ATOM 162 CD LYS A 14 6.518 14.071 -7.598 1.00 0.00 C ATOM 163 CE LYS A 14 7.292 14.348 -8.888 1.00 0.00 C ATOM 164 NZ LYS A 14 7.308 15.799 -9.181 1.00 0.00 N ATOM 0 H LYS A 14 10.114 10.891 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 14 7.526 11.972 -4.690 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.924 12.228 -7.249 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.270 11.670 -7.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.939 13.652 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.306 14.295 -6.413 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.764 13.305 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.989 14.972 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.313 13.979 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.834 13.809 -9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.837 15.970 -10.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.332 16.141 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.766 16.306 -8.397 1.00 0.00 H new ATOM 178 N LEU A 15 6.244 9.910 -5.128 1.00 0.00 N ATOM 179 CA LEU A 15 5.557 8.630 -5.132 1.00 0.00 C ATOM 180 C LEU A 15 4.145 8.816 -5.692 1.00 0.00 C ATOM 181 O LEU A 15 3.313 9.482 -5.078 1.00 0.00 O ATOM 182 CB LEU A 15 5.588 8.000 -3.738 1.00 0.00 C ATOM 183 CG LEU A 15 4.552 6.906 -3.474 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.565 5.858 -4.589 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.759 6.277 -2.094 1.00 0.00 C ATOM 0 H LEU A 15 5.670 10.701 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 15 6.070 7.925 -5.786 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.580 7.581 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.449 8.790 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 15 3.563 7.364 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.819 5.092 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.333 6.336 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.552 5.398 -4.645 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.010 5.502 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.754 5.836 -2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.661 7.044 -1.326 1.00 0.00 H new ATOM 197 N HIS A 16 3.918 8.216 -6.851 1.00 0.00 N ATOM 198 CA HIS A 16 2.622 8.307 -7.500 1.00 0.00 C ATOM 199 C HIS A 16 1.689 7.233 -6.936 1.00 0.00 C ATOM 200 O HIS A 16 2.101 6.092 -6.733 1.00 0.00 O ATOM 201 CB HIS A 16 2.768 8.226 -9.021 1.00 0.00 C ATOM 202 CG HIS A 16 1.598 8.801 -9.782 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.834 9.905 -9.542 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 1.099 8.224 -10.937 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 -0.081 9.998 -10.499 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 0.081 8.957 -11.364 1.00 0.00 N flip ATOM 0 H HIS A 16 4.611 7.665 -7.358 1.00 0.00 H new ATOM 0 HA HIS A 16 2.173 9.277 -7.288 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.675 8.753 -9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.897 7.183 -9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.475 7.329 -11.410 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.831 10.771 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.483 8.774 -12.194 1.00 0.00 H new ATOM 214 N TYR A 17 0.449 7.637 -6.700 1.00 0.00 N ATOM 215 CA TYR A 17 -0.545 6.723 -6.163 1.00 0.00 C ATOM 216 C TYR A 17 -1.962 7.213 -6.470 1.00 0.00 C ATOM 217 O TYR A 17 -2.266 8.392 -6.294 1.00 0.00 O ATOM 218 CB TYR A 17 -0.338 6.717 -4.647 1.00 0.00 C ATOM 219 CG TYR A 17 -0.300 8.111 -4.019 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.477 8.758 -3.703 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.912 8.721 -3.766 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.441 10.071 -3.112 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.949 10.033 -3.175 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.230 10.643 -2.876 1.00 0.00 C ATOM 225 OH TYR A 17 -0.196 11.883 -2.317 1.00 0.00 O ATOM 0 H TYR A 17 0.110 8.584 -6.871 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.433 5.732 -6.604 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.140 6.143 -4.183 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.595 6.202 -4.420 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.425 8.280 -3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.833 8.214 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.355 10.589 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.891 10.522 -2.974 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.083 12.294 -2.379 1.00 0.00 H new ATOM 235 N CYS A 18 -2.790 6.284 -6.924 1.00 0.00 N ATOM 236 CA CYS A 18 -4.167 6.607 -7.257 1.00 0.00 C ATOM 237 C CYS A 18 -5.079 5.955 -6.215 1.00 0.00 C ATOM 238 O CYS A 18 -5.163 4.730 -6.138 1.00 0.00 O ATOM 239 CB CYS A 18 -4.522 6.169 -8.679 1.00 0.00 C ATOM 240 SG CYS A 18 -6.337 6.214 -8.913 1.00 0.00 S ATOM 0 H CYS A 18 -2.534 5.307 -7.069 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.305 7.688 -7.234 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.037 6.825 -9.402 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.148 5.162 -8.862 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.628 5.842 -10.124 1.00 0.00 H new ATOM 246 N LEU A 19 -5.738 6.803 -5.439 1.00 0.00 N ATOM 247 CA LEU A 19 -6.640 6.325 -4.405 1.00 0.00 C ATOM 248 C LEU A 19 -8.043 6.163 -4.994 1.00 0.00 C ATOM 249 O LEU A 19 -8.504 7.014 -5.753 1.00 0.00 O ATOM 250 CB LEU A 19 -6.588 7.244 -3.183 1.00 0.00 C ATOM 251 CG LEU A 19 -5.192 7.662 -2.717 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.186 6.526 -2.909 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.744 8.949 -3.413 1.00 0.00 C ATOM 0 H LEU A 19 -5.665 7.818 -5.506 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.328 5.343 -4.050 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.160 8.145 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.091 6.744 -2.355 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.238 7.873 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.202 6.850 -2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.502 5.658 -2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.136 6.259 -3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.749 9.224 -3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.719 8.790 -4.491 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.444 9.751 -3.181 1.00 0.00 H new ATOM 265 N ASP A 20 -8.683 5.064 -4.621 1.00 0.00 N ATOM 266 CA ASP A 20 -10.024 4.780 -5.102 1.00 0.00 C ATOM 267 C ASP A 20 -10.695 3.775 -4.164 1.00 0.00 C ATOM 268 O ASP A 20 -10.293 2.614 -4.101 1.00 0.00 O ATOM 269 CB ASP A 20 -9.987 4.167 -6.503 1.00 0.00 C ATOM 270 CG ASP A 20 -11.301 3.535 -6.967 1.00 0.00 C ATOM 271 OD1 ASP A 20 -12.320 4.259 -6.939 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.258 2.342 -7.340 1.00 0.00 O ATOM 0 H ASP A 20 -8.298 4.360 -3.991 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.578 5.718 -5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.703 4.942 -7.215 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.206 3.407 -6.530 1.00 0.00 H new ATOM 277 N TYR A 21 -11.707 4.258 -3.457 1.00 0.00 N ATOM 278 CA TYR A 21 -12.438 3.417 -2.525 1.00 0.00 C ATOM 279 C TYR A 21 -13.715 2.870 -3.166 1.00 0.00 C ATOM 280 O TYR A 21 -14.552 3.635 -3.642 1.00 0.00 O ATOM 281 CB TYR A 21 -12.817 4.320 -1.350 1.00 0.00 C ATOM 282 CG TYR A 21 -13.470 3.579 -0.181 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.689 2.872 0.710 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.840 3.618 -0.019 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.303 2.175 1.810 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.454 2.921 1.082 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.655 2.234 1.942 1.00 0.00 C ATOM 288 OH TYR A 21 -15.236 1.575 2.981 1.00 0.00 O ATOM 0 H TYR A 21 -12.038 5.221 -3.511 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.830 2.566 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.921 4.827 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.500 5.092 -1.704 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.617 2.841 0.582 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.451 4.171 -0.717 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.703 1.618 2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.525 2.943 1.221 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.816 0.696 3.086 1.00 0.00 H new ATOM 298 N ASP A 22 -13.825 1.549 -3.157 1.00 0.00 N ATOM 299 CA ASP A 22 -14.986 0.891 -3.731 1.00 0.00 C ATOM 300 C ASP A 22 -15.949 0.496 -2.610 1.00 0.00 C ATOM 301 O ASP A 22 -15.900 -0.627 -2.111 1.00 0.00 O ATOM 302 CB ASP A 22 -14.584 -0.382 -4.479 1.00 0.00 C ATOM 303 CG ASP A 22 -15.400 -0.677 -5.738 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.640 -0.762 -5.604 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.767 -0.811 -6.807 1.00 0.00 O ATOM 0 H ASP A 22 -13.129 0.917 -2.761 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.457 1.585 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.532 -0.306 -4.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.675 -1.229 -3.799 1.00 0.00 H new ATOM 310 N CYS A 23 -16.803 1.442 -2.247 1.00 0.00 N ATOM 311 CA CYS A 23 -17.777 1.207 -1.194 1.00 0.00 C ATOM 312 C CYS A 23 -18.386 -0.181 -1.404 1.00 0.00 C ATOM 313 O CYS A 23 -18.690 -0.882 -0.440 1.00 0.00 O ATOM 314 CB CYS A 23 -18.846 2.300 -1.158 1.00 0.00 C ATOM 315 SG CYS A 23 -20.073 2.020 -2.487 1.00 0.00 S ATOM 0 H CYS A 23 -16.841 2.372 -2.663 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.283 1.243 -0.223 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.343 2.302 -0.188 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.382 3.278 -1.281 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.978 2.953 -2.446 1.00 0.00 H new ATOM 321 N GLN A 24 -18.547 -0.536 -2.670 1.00 0.00 N ATOM 322 CA GLN A 24 -19.115 -1.827 -3.020 1.00 0.00 C ATOM 323 C GLN A 24 -18.280 -2.956 -2.413 1.00 0.00 C ATOM 324 O GLN A 24 -18.825 -3.899 -1.842 1.00 0.00 O ATOM 325 CB GLN A 24 -19.229 -1.983 -4.537 1.00 0.00 C ATOM 326 CG GLN A 24 -19.879 -0.751 -5.169 1.00 0.00 C ATOM 327 CD GLN A 24 -21.222 -1.107 -5.810 1.00 0.00 C ATOM 328 OE1 GLN A 24 -22.281 -0.942 -5.228 1.00 0.00 O ATOM 329 NE2 GLN A 24 -21.119 -1.604 -7.040 1.00 0.00 N ATOM 0 H GLN A 24 -18.294 0.048 -3.467 1.00 0.00 H new ATOM 0 HA GLN A 24 -20.122 -1.883 -2.606 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.239 -2.136 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.818 -2.870 -4.771 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -20.027 0.017 -4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -19.213 -0.330 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -20.201 -1.716 -7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -21.958 -1.873 -7.553 1.00 0.00 H new ATOM 338 N LYS A 25 -16.969 -2.822 -2.556 1.00 0.00 N ATOM 339 CA LYS A 25 -16.053 -3.819 -2.030 1.00 0.00 C ATOM 340 C LYS A 25 -15.511 -3.345 -0.680 1.00 0.00 C ATOM 341 O LYS A 25 -14.680 -4.016 -0.070 1.00 0.00 O ATOM 342 CB LYS A 25 -14.961 -4.137 -3.053 1.00 0.00 C ATOM 343 CG LYS A 25 -15.458 -3.890 -4.479 1.00 0.00 C ATOM 344 CD LYS A 25 -14.558 -4.588 -5.501 1.00 0.00 C ATOM 345 CE LYS A 25 -15.373 -5.508 -6.412 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.669 -6.794 -6.613 1.00 0.00 N ATOM 0 H LYS A 25 -16.520 -2.038 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.575 -4.759 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.084 -3.520 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.650 -5.176 -2.947 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.480 -4.255 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.480 -2.819 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.038 -3.842 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.794 -5.168 -4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.354 -5.688 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.539 -5.023 -7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.236 -7.407 -7.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.743 -6.618 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.533 -7.263 -5.695 1.00 0.00 H new ATOM 360 N ALA A 26 -16.005 -2.192 -0.252 1.00 0.00 N ATOM 361 CA ALA A 26 -15.580 -1.620 1.014 1.00 0.00 C ATOM 362 C ALA A 26 -14.075 -1.835 1.188 1.00 0.00 C ATOM 363 O ALA A 26 -13.597 -2.026 2.304 1.00 0.00 O ATOM 364 CB ALA A 26 -16.393 -2.241 2.153 1.00 0.00 C ATOM 0 H ALA A 26 -16.695 -1.639 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.763 -0.546 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.075 -1.812 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.452 -2.035 1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.232 -3.319 2.169 1.00 0.00 H new ATOM 370 N GLU A 27 -13.371 -1.795 0.066 1.00 0.00 N ATOM 371 CA GLU A 27 -11.931 -1.983 0.079 1.00 0.00 C ATOM 372 C GLU A 27 -11.241 -0.853 -0.687 1.00 0.00 C ATOM 373 O GLU A 27 -11.624 -0.536 -1.812 1.00 0.00 O ATOM 374 CB GLU A 27 -11.551 -3.349 -0.497 1.00 0.00 C ATOM 375 CG GLU A 27 -11.621 -4.436 0.576 1.00 0.00 C ATOM 376 CD GLU A 27 -10.221 -4.816 1.064 1.00 0.00 C ATOM 377 OE1 GLU A 27 -9.312 -3.977 0.888 1.00 0.00 O ATOM 378 OE2 GLU A 27 -10.093 -5.937 1.602 1.00 0.00 O ATOM 0 H GLU A 27 -13.772 -1.635 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.590 -1.955 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.222 -3.600 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.543 -3.306 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.220 -4.085 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.122 -5.317 0.174 1.00 0.00 H new ATOM 385 N LEU A 28 -10.234 -0.276 -0.047 1.00 0.00 N ATOM 386 CA LEU A 28 -9.487 0.813 -0.654 1.00 0.00 C ATOM 387 C LEU A 28 -8.576 0.252 -1.748 1.00 0.00 C ATOM 388 O LEU A 28 -8.338 -0.953 -1.805 1.00 0.00 O ATOM 389 CB LEU A 28 -8.743 1.614 0.416 1.00 0.00 C ATOM 390 CG LEU A 28 -8.048 2.890 -0.064 1.00 0.00 C ATOM 391 CD1 LEU A 28 -9.069 3.921 -0.549 1.00 0.00 C ATOM 392 CD2 LEU A 28 -7.132 3.457 1.023 1.00 0.00 C ATOM 0 H LEU A 28 -9.918 -0.542 0.886 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.164 1.520 -1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.452 1.883 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.995 0.966 0.872 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.418 2.636 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.549 4.818 -0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.643 3.503 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.744 4.177 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.650 4.363 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.721 3.692 1.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.371 2.720 1.279 1.00 0.00 H new ATOM 404 N PHE A 29 -8.092 1.154 -2.589 1.00 0.00 N ATOM 405 CA PHE A 29 -7.212 0.764 -3.678 1.00 0.00 C ATOM 406 C PHE A 29 -6.149 1.835 -3.934 1.00 0.00 C ATOM 407 O PHE A 29 -6.446 3.028 -3.906 1.00 0.00 O ATOM 408 CB PHE A 29 -8.083 0.619 -4.927 1.00 0.00 C ATOM 409 CG PHE A 29 -9.013 -0.596 -4.900 1.00 0.00 C ATOM 410 CD1 PHE A 29 -10.255 -0.490 -4.356 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.597 -1.782 -5.419 1.00 0.00 C ATOM 412 CE1 PHE A 29 -11.118 -1.617 -4.331 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.460 -2.910 -5.394 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.702 -2.803 -4.850 1.00 0.00 C ATOM 0 H PHE A 29 -8.292 2.153 -2.539 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.701 -0.166 -3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.684 1.521 -5.045 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.437 0.550 -5.802 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.585 0.452 -3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.610 -1.866 -5.850 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.105 -1.532 -3.900 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.130 -3.852 -5.807 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.358 -3.661 -4.830 1.00 0.00 H new ATOM 424 N VAL A 30 -4.933 1.369 -4.177 1.00 0.00 N ATOM 425 CA VAL A 30 -3.824 2.271 -4.437 1.00 0.00 C ATOM 426 C VAL A 30 -3.046 1.777 -5.658 1.00 0.00 C ATOM 427 O VAL A 30 -2.012 1.125 -5.518 1.00 0.00 O ATOM 428 CB VAL A 30 -2.953 2.404 -3.186 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.821 3.409 -3.411 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.796 2.791 -1.970 1.00 0.00 C ATOM 0 H VAL A 30 -4.691 0.378 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.191 3.271 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.503 1.432 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.217 3.485 -2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.196 3.073 -4.238 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.243 4.385 -3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.153 2.879 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.287 3.746 -2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.550 2.024 -1.791 1.00 0.00 H new ATOM 440 N THR A 31 -3.572 2.106 -6.829 1.00 0.00 N ATOM 441 CA THR A 31 -2.940 1.704 -8.073 1.00 0.00 C ATOM 442 C THR A 31 -2.054 2.830 -8.610 1.00 0.00 C ATOM 443 O THR A 31 -1.638 3.710 -7.857 1.00 0.00 O ATOM 444 CB THR A 31 -4.040 1.280 -9.048 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.630 2.509 -9.461 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.182 0.534 -8.353 1.00 0.00 C ATOM 0 H THR A 31 -4.429 2.647 -6.942 1.00 0.00 H new ATOM 0 HA THR A 31 -2.275 0.854 -7.921 1.00 0.00 H new ATOM 0 HB THR A 31 -3.612 0.647 -9.825 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.353 2.327 -10.097 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.936 0.256 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.792 -0.365 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.632 1.179 -7.599 1.00 0.00 H new ATOM 454 N ARG A 32 -1.791 2.766 -9.907 1.00 0.00 N ATOM 455 CA ARG A 32 -0.962 3.769 -10.553 1.00 0.00 C ATOM 456 C ARG A 32 0.270 4.071 -9.697 1.00 0.00 C ATOM 457 O ARG A 32 0.483 5.212 -9.290 1.00 0.00 O ATOM 458 CB ARG A 32 -1.744 5.064 -10.783 1.00 0.00 C ATOM 459 CG ARG A 32 -3.047 4.791 -11.537 1.00 0.00 C ATOM 460 CD ARG A 32 -2.793 4.659 -13.040 1.00 0.00 C ATOM 461 NE ARG A 32 -4.080 4.639 -13.771 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.830 5.726 -14.002 1.00 0.00 C ATOM 463 NH1 ARG A 32 -4.426 6.924 -13.560 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.984 5.613 -14.674 1.00 0.00 N ATOM 0 H ARG A 32 -2.138 2.035 -10.528 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.649 3.370 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.966 5.534 -9.825 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.132 5.767 -11.349 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.505 3.876 -11.160 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.754 5.600 -11.354 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.181 5.491 -13.388 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.235 3.745 -13.244 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.417 3.742 -14.121 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.548 7.009 -13.048 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.996 7.751 -13.736 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.291 4.700 -15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.555 6.440 -14.850 1.00 0.00 H new ATOM 478 N LEU A 33 1.049 3.028 -9.451 1.00 0.00 N ATOM 479 CA LEU A 33 2.254 3.167 -8.651 1.00 0.00 C ATOM 480 C LEU A 33 3.412 3.600 -9.553 1.00 0.00 C ATOM 481 O LEU A 33 3.717 2.934 -10.541 1.00 0.00 O ATOM 482 CB LEU A 33 2.531 1.881 -7.870 1.00 0.00 C ATOM 483 CG LEU A 33 2.052 1.862 -6.417 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.318 3.205 -5.735 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.579 1.457 -6.330 1.00 0.00 C ATOM 0 H LEU A 33 0.869 2.083 -9.791 1.00 0.00 H new ATOM 0 HA LEU A 33 2.125 3.946 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.061 1.051 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.605 1.698 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 33 2.625 1.108 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.968 3.165 -4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.388 3.414 -5.748 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.788 3.995 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.264 1.451 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.028 2.170 -6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.450 0.461 -6.753 1.00 0.00 H new ATOM 497 N GLU A 34 4.027 4.713 -9.180 1.00 0.00 N ATOM 498 CA GLU A 34 5.144 5.243 -9.943 1.00 0.00 C ATOM 499 C GLU A 34 6.004 6.152 -9.062 1.00 0.00 C ATOM 500 O GLU A 34 5.682 7.324 -8.874 1.00 0.00 O ATOM 501 CB GLU A 34 4.655 5.986 -11.187 1.00 0.00 C ATOM 502 CG GLU A 34 3.806 5.073 -12.073 1.00 0.00 C ATOM 503 CD GLU A 34 3.465 5.758 -13.398 1.00 0.00 C ATOM 504 OE1 GLU A 34 4.421 6.042 -14.152 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.257 5.981 -13.628 1.00 0.00 O ATOM 0 H GLU A 34 3.773 5.262 -8.359 1.00 0.00 H new ATOM 0 HA GLU A 34 5.759 4.408 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.070 6.856 -10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.510 6.356 -11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.344 4.145 -12.267 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.887 4.805 -11.551 1.00 0.00 H new ATOM 512 N ALA A 35 7.081 5.577 -8.547 1.00 0.00 N ATOM 513 CA ALA A 35 7.989 6.322 -7.691 1.00 0.00 C ATOM 514 C ALA A 35 8.865 7.233 -8.554 1.00 0.00 C ATOM 515 O ALA A 35 9.090 6.950 -9.730 1.00 0.00 O ATOM 516 CB ALA A 35 8.814 5.345 -6.851 1.00 0.00 C ATOM 0 H ALA A 35 7.345 4.605 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 35 7.433 6.957 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.495 5.903 -6.209 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.147 4.742 -6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.388 4.694 -7.510 1.00 0.00 H new ATOM 522 N VAL A 36 9.334 8.307 -7.937 1.00 0.00 N ATOM 523 CA VAL A 36 10.180 9.261 -8.634 1.00 0.00 C ATOM 524 C VAL A 36 11.257 9.775 -7.677 1.00 0.00 C ATOM 525 O VAL A 36 11.305 10.966 -7.372 1.00 0.00 O ATOM 526 CB VAL A 36 9.325 10.381 -9.229 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.191 11.576 -9.633 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.503 9.873 -10.415 1.00 0.00 C ATOM 0 H VAL A 36 9.144 8.538 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 36 10.690 8.781 -9.469 1.00 0.00 H new ATOM 0 HB VAL A 36 8.630 10.716 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.559 12.358 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.711 11.962 -8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.921 11.261 -10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.904 10.689 -10.819 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.173 9.497 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.845 9.070 -10.084 1.00 0.00 H new ATOM 538 N THR A 37 12.096 8.852 -7.230 1.00 0.00 N ATOM 539 CA THR A 37 13.170 9.197 -6.314 1.00 0.00 C ATOM 540 C THR A 37 14.267 9.972 -7.046 1.00 0.00 C ATOM 541 O THR A 37 14.607 11.089 -6.658 1.00 0.00 O ATOM 542 CB THR A 37 13.670 7.905 -5.663 1.00 0.00 C ATOM 543 OG1 THR A 37 14.108 7.110 -6.762 1.00 0.00 O ATOM 544 CG2 THR A 37 12.537 7.087 -5.039 1.00 0.00 C ATOM 0 H THR A 37 12.054 7.865 -7.485 1.00 0.00 H new ATOM 0 HA THR A 37 12.818 9.861 -5.524 1.00 0.00 H new ATOM 0 HB THR A 37 14.408 8.146 -4.897 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.450 6.254 -6.430 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.946 6.181 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.041 7.680 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.816 6.817 -5.810 1.00 0.00 H new ATOM 552 N SER A 38 14.790 9.350 -8.092 1.00 0.00 N ATOM 553 CA SER A 38 15.841 9.968 -8.882 1.00 0.00 C ATOM 554 C SER A 38 17.012 10.360 -7.979 1.00 0.00 C ATOM 555 O SER A 38 17.243 11.543 -7.734 1.00 0.00 O ATOM 556 CB SER A 38 15.317 11.193 -9.634 1.00 0.00 C ATOM 557 OG SER A 38 14.893 12.223 -8.746 1.00 0.00 O ATOM 0 H SER A 38 14.505 8.424 -8.411 1.00 0.00 H new ATOM 0 HA SER A 38 16.186 9.243 -9.619 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.099 11.578 -10.289 1.00 0.00 H new ATOM 0 HB3 SER A 38 14.483 10.898 -10.271 1.00 0.00 H new ATOM 0 HG SER A 38 15.288 12.075 -7.861 1.00 0.00 H new ATOM 563 N ASN A 39 17.721 9.345 -7.508 1.00 0.00 N ATOM 564 CA ASN A 39 18.863 9.569 -6.637 1.00 0.00 C ATOM 565 C ASN A 39 19.806 8.367 -6.721 1.00 0.00 C ATOM 566 O ASN A 39 19.448 7.330 -7.277 1.00 0.00 O ATOM 567 CB ASN A 39 18.422 9.724 -5.180 1.00 0.00 C ATOM 568 CG ASN A 39 19.341 10.689 -4.429 1.00 0.00 C ATOM 569 OD1 ASN A 39 20.439 11.003 -4.859 1.00 0.00 O ATOM 570 ND2 ASN A 39 18.833 11.141 -3.286 1.00 0.00 N ATOM 0 H ASN A 39 17.527 8.365 -7.713 1.00 0.00 H new ATOM 0 HA ASN A 39 19.361 10.482 -6.962 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.396 10.091 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.430 8.751 -4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.369 11.791 -2.711 1.00 0.00 H new ATOM 0 HD22 ASN A 39 17.907 10.838 -2.984 1.00 0.00 H new ATOM 577 N HIS A 40 20.993 8.547 -6.160 1.00 0.00 N ATOM 578 CA HIS A 40 21.990 7.490 -6.164 1.00 0.00 C ATOM 579 C HIS A 40 21.646 6.455 -5.092 1.00 0.00 C ATOM 580 O HIS A 40 21.075 6.795 -4.057 1.00 0.00 O ATOM 581 CB HIS A 40 23.397 8.070 -5.999 1.00 0.00 C ATOM 582 CG HIS A 40 23.945 8.718 -7.248 1.00 0.00 C ATOM 583 ND1 HIS A 40 23.620 10.008 -7.628 1.00 0.00 N ATOM 584 CD2 HIS A 40 24.800 8.240 -8.197 1.00 0.00 C ATOM 585 CE1 HIS A 40 24.255 10.284 -8.757 1.00 0.00 C ATOM 586 NE2 HIS A 40 24.986 9.187 -9.109 1.00 0.00 N ATOM 0 H HIS A 40 21.287 9.409 -5.700 1.00 0.00 H new ATOM 0 HA HIS A 40 21.980 6.980 -7.127 1.00 0.00 H new ATOM 0 HB2 HIS A 40 23.383 8.807 -5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 40 24.073 7.273 -5.689 1.00 0.00 H new ATOM 0 HD2 HIS A 40 25.249 7.258 -8.205 1.00 0.00 H new ATOM 0 HE1 HIS A 40 24.203 11.214 -9.303 1.00 0.00 H new ATOM 0 HE2 HIS A 40 25.578 9.108 -9.936 1.00 0.00 H new ATOM 594 N ASP A 41 22.007 5.212 -5.377 1.00 0.00 N ATOM 595 CA ASP A 41 21.743 4.125 -4.450 1.00 0.00 C ATOM 596 C ASP A 41 22.484 2.871 -4.917 1.00 0.00 C ATOM 597 O ASP A 41 23.055 2.853 -6.006 1.00 0.00 O ATOM 598 CB ASP A 41 20.249 3.798 -4.395 1.00 0.00 C ATOM 599 CG ASP A 41 19.709 3.471 -3.002 1.00 0.00 C ATOM 600 OD1 ASP A 41 19.868 2.301 -2.592 1.00 0.00 O ATOM 601 OD2 ASP A 41 19.150 4.398 -2.378 1.00 0.00 O ATOM 0 H ASP A 41 22.480 4.934 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 41 22.081 4.436 -3.461 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.692 4.646 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.054 2.950 -5.052 1.00 0.00 H new ATOM 606 N GLY A 42 22.452 1.853 -4.069 1.00 0.00 N ATOM 607 CA GLY A 42 23.114 0.598 -4.382 1.00 0.00 C ATOM 608 C GLY A 42 22.108 -0.444 -4.877 1.00 0.00 C ATOM 609 O GLY A 42 21.752 -1.366 -4.145 1.00 0.00 O ATOM 0 H GLY A 42 21.978 1.872 -3.166 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.875 0.764 -5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.626 0.222 -3.496 1.00 0.00 H new ATOM 613 N GLY A 43 21.679 -0.261 -6.118 1.00 0.00 N ATOM 614 CA GLY A 43 20.722 -1.174 -6.720 1.00 0.00 C ATOM 615 C GLY A 43 19.621 -1.548 -5.726 1.00 0.00 C ATOM 616 O GLY A 43 18.885 -0.682 -5.254 1.00 0.00 O ATOM 0 H GLY A 43 21.976 0.505 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 43 20.279 -0.712 -7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.235 -2.075 -7.056 1.00 0.00 H new ATOM 620 N CYS A 44 19.542 -2.839 -5.436 1.00 0.00 N ATOM 621 CA CYS A 44 18.543 -3.338 -4.507 1.00 0.00 C ATOM 622 C CYS A 44 17.161 -3.115 -5.123 1.00 0.00 C ATOM 623 O CYS A 44 16.949 -2.145 -5.848 1.00 0.00 O ATOM 624 CB CYS A 44 18.669 -2.677 -3.133 1.00 0.00 C ATOM 625 SG CYS A 44 19.865 -3.601 -2.101 1.00 0.00 S ATOM 0 H CYS A 44 20.154 -3.554 -5.829 1.00 0.00 H new ATOM 0 HA CYS A 44 18.697 -4.404 -4.340 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.996 -1.643 -3.246 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.696 -2.651 -2.642 1.00 0.00 H new ATOM 0 HG CYS A 44 19.222 -4.318 -1.228 1.00 0.00 H new ATOM 631 N ASP A 45 16.255 -4.031 -4.811 1.00 0.00 N ATOM 632 CA ASP A 45 14.899 -3.947 -5.325 1.00 0.00 C ATOM 633 C ASP A 45 14.020 -3.206 -4.315 1.00 0.00 C ATOM 634 O ASP A 45 14.049 -3.507 -3.123 1.00 0.00 O ATOM 635 CB ASP A 45 14.303 -5.340 -5.537 1.00 0.00 C ATOM 636 CG ASP A 45 14.634 -5.987 -6.883 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.832 -5.978 -7.238 1.00 0.00 O ATOM 638 OD2 ASP A 45 13.681 -6.476 -7.527 1.00 0.00 O ATOM 0 H ASP A 45 16.434 -4.835 -4.209 1.00 0.00 H new ATOM 0 HA ASP A 45 14.932 -3.420 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.655 -5.995 -4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.219 -5.274 -5.439 1.00 0.00 H new ATOM 643 N CYS A 46 13.260 -2.251 -4.829 1.00 0.00 N ATOM 644 CA CYS A 46 12.375 -1.464 -3.987 1.00 0.00 C ATOM 645 C CYS A 46 10.930 -1.840 -4.325 1.00 0.00 C ATOM 646 O CYS A 46 10.661 -2.385 -5.394 1.00 0.00 O ATOM 647 CB CYS A 46 12.627 0.036 -4.148 1.00 0.00 C ATOM 648 SG CYS A 46 12.270 0.550 -5.868 1.00 0.00 S ATOM 0 H CYS A 46 13.239 -2.004 -5.818 1.00 0.00 H new ATOM 0 HA CYS A 46 12.572 -1.688 -2.939 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.999 0.595 -3.455 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.662 0.268 -3.898 1.00 0.00 H new ATOM 0 HG CYS A 46 12.485 1.826 -5.993 1.00 0.00 H new ATOM 654 N TYR A 47 10.040 -1.533 -3.393 1.00 0.00 N ATOM 655 CA TYR A 47 8.630 -1.832 -3.579 1.00 0.00 C ATOM 656 C TYR A 47 7.754 -0.859 -2.787 1.00 0.00 C ATOM 657 O TYR A 47 8.213 -0.251 -1.821 1.00 0.00 O ATOM 658 CB TYR A 47 8.423 -3.246 -3.033 1.00 0.00 C ATOM 659 CG TYR A 47 8.952 -3.448 -1.612 1.00 0.00 C ATOM 660 CD1 TYR A 47 8.169 -3.105 -0.529 1.00 0.00 C ATOM 661 CD2 TYR A 47 10.213 -3.974 -1.413 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.667 -3.296 0.809 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.711 -4.165 -0.076 1.00 0.00 C ATOM 664 CZ TYR A 47 9.913 -3.816 0.969 1.00 0.00 C ATOM 665 OH TYR A 47 10.384 -3.996 2.233 1.00 0.00 O ATOM 0 H TYR A 47 10.267 -1.081 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 47 8.355 -1.745 -4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.358 -3.479 -3.050 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.915 -3.957 -3.697 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.183 -2.693 -0.684 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.826 -4.242 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.064 -3.032 1.666 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.695 -4.576 0.094 1.00 0.00 H new ATOM 0 HH TYR A 47 11.286 -4.376 2.195 1.00 0.00 H new ATOM 675 N VAL A 48 6.509 -0.742 -3.224 1.00 0.00 N ATOM 676 CA VAL A 48 5.565 0.146 -2.568 1.00 0.00 C ATOM 677 C VAL A 48 4.817 -0.626 -1.479 1.00 0.00 C ATOM 678 O VAL A 48 4.592 -1.828 -1.609 1.00 0.00 O ATOM 679 CB VAL A 48 4.631 0.775 -3.604 1.00 0.00 C ATOM 680 CG1 VAL A 48 3.884 1.972 -3.013 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.401 1.176 -4.864 1.00 0.00 C ATOM 0 H VAL A 48 6.132 -1.248 -4.025 1.00 0.00 H new ATOM 0 HA VAL A 48 6.089 0.968 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 48 3.892 0.026 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.227 2.401 -3.770 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.290 1.645 -2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.602 2.725 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.714 1.620 -5.584 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.173 1.901 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.866 0.293 -5.303 1.00 0.00 H new ATOM 691 N GLN A 49 4.453 0.096 -0.430 1.00 0.00 N ATOM 692 CA GLN A 49 3.735 -0.506 0.680 1.00 0.00 C ATOM 693 C GLN A 49 2.621 0.427 1.160 1.00 0.00 C ATOM 694 O GLN A 49 2.869 1.596 1.454 1.00 0.00 O ATOM 695 CB GLN A 49 4.688 -0.856 1.824 1.00 0.00 C ATOM 696 CG GLN A 49 3.960 -1.623 2.930 1.00 0.00 C ATOM 697 CD GLN A 49 4.491 -1.231 4.310 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.682 -1.243 4.572 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.542 -0.883 5.176 1.00 0.00 N ATOM 0 H GLN A 49 4.642 1.093 -0.325 1.00 0.00 H new ATOM 0 HA GLN A 49 3.281 -1.434 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.514 -1.457 1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.120 0.057 2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.891 -1.418 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.087 -2.695 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.563 -0.895 4.891 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.794 -0.604 6.124 1.00 0.00 H new ATOM 708 N GLY A 50 1.418 -0.124 1.226 1.00 0.00 N ATOM 709 CA GLY A 50 0.266 0.644 1.665 1.00 0.00 C ATOM 710 C GLY A 50 -0.340 0.045 2.937 1.00 0.00 C ATOM 711 O GLY A 50 -0.713 -1.127 2.959 1.00 0.00 O ATOM 0 H GLY A 50 1.216 -1.094 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.562 1.677 1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.485 0.664 0.875 1.00 0.00 H new ATOM 715 N SER A 51 -0.418 0.877 3.965 1.00 0.00 N ATOM 716 CA SER A 51 -0.972 0.445 5.237 1.00 0.00 C ATOM 717 C SER A 51 -2.102 1.385 5.662 1.00 0.00 C ATOM 718 O SER A 51 -2.031 2.591 5.431 1.00 0.00 O ATOM 719 CB SER A 51 0.109 0.391 6.318 1.00 0.00 C ATOM 720 OG SER A 51 -0.309 -0.361 7.454 1.00 0.00 O ATOM 0 H SER A 51 -0.107 1.848 3.943 1.00 0.00 H new ATOM 0 HA SER A 51 -1.373 -0.561 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.015 -0.052 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.363 1.405 6.628 1.00 0.00 H new ATOM 0 HG SER A 51 -1.267 -0.554 7.384 1.00 0.00 H new ATOM 726 N VAL A 52 -3.117 0.797 6.277 1.00 0.00 N ATOM 727 CA VAL A 52 -4.261 1.567 6.737 1.00 0.00 C ATOM 728 C VAL A 52 -4.542 1.227 8.202 1.00 0.00 C ATOM 729 O VAL A 52 -4.268 0.115 8.649 1.00 0.00 O ATOM 730 CB VAL A 52 -5.462 1.316 5.823 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.732 1.075 6.642 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.654 2.472 4.840 1.00 0.00 C ATOM 0 H VAL A 52 -3.172 -0.204 6.468 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.049 2.635 6.686 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.261 0.415 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.571 0.899 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.592 0.204 7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.939 1.950 7.259 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.514 2.268 4.202 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.823 3.396 5.393 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.762 2.577 4.223 1.00 0.00 H new ATOM 742 N ALA A 53 -5.087 2.207 8.909 1.00 0.00 N ATOM 743 CA ALA A 53 -5.409 2.026 10.314 1.00 0.00 C ATOM 744 C ALA A 53 -6.859 2.449 10.559 1.00 0.00 C ATOM 745 O ALA A 53 -7.190 3.629 10.457 1.00 0.00 O ATOM 746 CB ALA A 53 -4.418 2.816 11.171 1.00 0.00 C ATOM 0 H ALA A 53 -5.313 3.128 8.535 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.320 0.977 10.596 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.660 2.680 12.225 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.406 2.457 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.481 3.874 10.918 1.00 0.00 H new ATOM 752 N ASN A 54 -7.684 1.463 10.878 1.00 0.00 N ATOM 753 CA ASN A 54 -9.090 1.718 11.139 1.00 0.00 C ATOM 754 C ASN A 54 -9.392 1.428 12.610 1.00 0.00 C ATOM 755 O ASN A 54 -8.704 0.629 13.243 1.00 0.00 O ATOM 756 CB ASN A 54 -9.981 0.813 10.286 1.00 0.00 C ATOM 757 CG ASN A 54 -9.197 -0.389 9.757 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.689 -1.209 10.505 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.125 -0.448 8.431 1.00 0.00 N ATOM 0 H ASN A 54 -7.405 0.485 10.962 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.295 2.760 10.894 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.827 0.467 10.879 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.389 1.382 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.622 -1.213 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.573 0.271 7.863 1.00 0.00 H new ATOM 766 N ARG A 55 -10.423 2.093 13.112 1.00 0.00 N ATOM 767 CA ARG A 55 -10.825 1.917 14.497 1.00 0.00 C ATOM 768 C ARG A 55 -10.925 0.428 14.835 1.00 0.00 C ATOM 769 O ARG A 55 -10.828 0.045 16.000 1.00 0.00 O ATOM 770 CB ARG A 55 -12.173 2.587 14.768 1.00 0.00 C ATOM 771 CG ARG A 55 -11.991 3.892 15.545 1.00 0.00 C ATOM 772 CD ARG A 55 -13.326 4.619 15.718 1.00 0.00 C ATOM 773 NE ARG A 55 -13.089 6.044 16.040 1.00 0.00 N ATOM 774 CZ ARG A 55 -14.063 6.930 16.288 1.00 0.00 C ATOM 775 NH1 ARG A 55 -15.345 6.544 16.252 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.754 8.203 16.572 1.00 0.00 N ATOM 0 H ARG A 55 -10.992 2.755 12.584 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.067 2.385 15.125 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.679 2.789 13.824 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.813 1.909 15.333 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.559 3.680 16.523 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.287 4.537 15.019 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.915 4.537 14.804 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.905 4.149 16.513 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.124 6.372 16.075 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.580 5.575 16.036 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.086 7.219 16.441 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.778 8.497 16.599 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.495 8.878 16.761 1.00 0.00 H new ATOM 790 N THR A 56 -11.118 -0.370 13.796 1.00 0.00 N ATOM 791 CA THR A 56 -11.233 -1.809 13.968 1.00 0.00 C ATOM 792 C THR A 56 -9.847 -2.440 14.113 1.00 0.00 C ATOM 793 O THR A 56 -9.677 -3.412 14.847 1.00 0.00 O ATOM 794 CB THR A 56 -12.034 -2.364 12.789 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.243 -2.039 11.648 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.344 -1.606 12.562 1.00 0.00 C ATOM 0 H THR A 56 -11.198 -0.048 12.831 1.00 0.00 H new ATOM 0 HA THR A 56 -11.766 -2.057 14.886 1.00 0.00 H new ATOM 0 HB THR A 56 -12.250 -3.418 12.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.688 -2.364 10.838 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.873 -2.040 11.714 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.966 -1.679 13.454 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.127 -0.558 12.356 1.00 0.00 H new ATOM 804 N GLY A 57 -8.891 -1.862 13.400 1.00 0.00 N ATOM 805 CA GLY A 57 -7.525 -2.357 13.440 1.00 0.00 C ATOM 806 C GLY A 57 -6.651 -1.636 12.411 1.00 0.00 C ATOM 807 O GLY A 57 -6.674 -0.409 12.323 1.00 0.00 O ATOM 0 H GLY A 57 -9.035 -1.056 12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.111 -2.214 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.517 -3.429 13.242 1.00 0.00 H new ATOM 811 N SER A 58 -5.901 -2.428 11.660 1.00 0.00 N ATOM 812 CA SER A 58 -5.022 -1.881 10.641 1.00 0.00 C ATOM 813 C SER A 58 -4.754 -2.932 9.561 1.00 0.00 C ATOM 814 O SER A 58 -4.978 -4.121 9.779 1.00 0.00 O ATOM 815 CB SER A 58 -3.704 -1.400 11.252 1.00 0.00 C ATOM 816 OG SER A 58 -2.985 -2.462 11.874 1.00 0.00 O ATOM 0 H SER A 58 -5.884 -3.445 11.737 1.00 0.00 H new ATOM 0 HA SER A 58 -5.517 -1.022 10.188 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.086 -0.951 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.908 -0.621 11.987 1.00 0.00 H new ATOM 0 HG SER A 58 -2.149 -2.115 12.250 1.00 0.00 H new ATOM 822 N VAL A 59 -4.279 -2.454 8.421 1.00 0.00 N ATOM 823 CA VAL A 59 -3.978 -3.337 7.306 1.00 0.00 C ATOM 824 C VAL A 59 -2.640 -2.931 6.686 1.00 0.00 C ATOM 825 O VAL A 59 -2.106 -1.866 6.994 1.00 0.00 O ATOM 826 CB VAL A 59 -5.132 -3.322 6.301 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.309 -4.159 6.806 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.570 -1.890 5.990 1.00 0.00 C ATOM 0 H VAL A 59 -4.095 -1.466 8.245 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.877 -4.366 7.650 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.775 -3.771 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.116 -4.132 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.986 -5.190 6.952 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.665 -3.753 7.753 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.391 -1.908 5.273 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.900 -1.403 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.731 -1.337 5.567 1.00 0.00 H new ATOM 838 N GLU A 60 -2.136 -3.801 5.824 1.00 0.00 N ATOM 839 CA GLU A 60 -0.870 -3.547 5.158 1.00 0.00 C ATOM 840 C GLU A 60 -0.822 -4.274 3.812 1.00 0.00 C ATOM 841 O GLU A 60 -1.405 -5.347 3.662 1.00 0.00 O ATOM 842 CB GLU A 60 0.308 -3.956 6.044 1.00 0.00 C ATOM 843 CG GLU A 60 0.654 -2.849 7.042 1.00 0.00 C ATOM 844 CD GLU A 60 1.849 -3.247 7.910 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.845 -3.721 7.322 1.00 0.00 O ATOM 846 OE2 GLU A 60 1.740 -3.069 9.143 1.00 0.00 O ATOM 0 H GLU A 60 -2.581 -4.683 5.571 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.788 -2.476 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.062 -4.872 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.176 -4.175 5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.881 -1.928 6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.208 -2.644 7.676 1.00 0.00 H new ATOM 853 N ALA A 61 -0.122 -3.662 2.869 1.00 0.00 N ATOM 854 CA ALA A 61 0.009 -4.238 1.541 1.00 0.00 C ATOM 855 C ALA A 61 1.224 -3.625 0.842 1.00 0.00 C ATOM 856 O ALA A 61 1.778 -2.631 1.310 1.00 0.00 O ATOM 857 CB ALA A 61 -1.287 -4.017 0.759 1.00 0.00 C ATOM 0 H ALA A 61 0.361 -2.773 2.998 1.00 0.00 H new ATOM 0 HA ALA A 61 0.173 -5.314 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.189 -4.449 -0.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.114 -4.496 1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.483 -2.948 0.673 1.00 0.00 H new ATOM 863 N GLN A 62 1.602 -4.242 -0.267 1.00 0.00 N ATOM 864 CA GLN A 62 2.741 -3.770 -1.036 1.00 0.00 C ATOM 865 C GLN A 62 2.707 -4.354 -2.450 1.00 0.00 C ATOM 866 O GLN A 62 1.937 -5.272 -2.727 1.00 0.00 O ATOM 867 CB GLN A 62 4.057 -4.112 -0.333 1.00 0.00 C ATOM 868 CG GLN A 62 4.075 -5.575 0.114 1.00 0.00 C ATOM 869 CD GLN A 62 4.903 -6.432 -0.846 1.00 0.00 C ATOM 870 OE1 GLN A 62 5.982 -6.060 -1.277 1.00 0.00 O ATOM 871 NE2 GLN A 62 4.340 -7.597 -1.154 1.00 0.00 N ATOM 0 H GLN A 62 1.140 -5.066 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 62 2.678 -2.684 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.893 -3.923 -1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.191 -3.462 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.489 -5.646 1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.055 -5.957 0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.434 -7.846 -0.757 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.814 -8.241 -1.787 1.00 0.00 H new ATOM 880 N THR A 63 3.550 -3.796 -3.306 1.00 0.00 N ATOM 881 CA THR A 63 3.625 -4.250 -4.685 1.00 0.00 C ATOM 882 C THR A 63 4.791 -5.225 -4.862 1.00 0.00 C ATOM 883 O THR A 63 5.499 -5.532 -3.905 1.00 0.00 O ATOM 884 CB THR A 63 3.723 -3.016 -5.584 1.00 0.00 C ATOM 885 OG1 THR A 63 4.832 -2.291 -5.058 1.00 0.00 O ATOM 886 CG2 THR A 63 2.538 -2.065 -5.406 1.00 0.00 C ATOM 0 H THR A 63 4.187 -3.034 -3.072 1.00 0.00 H new ATOM 0 HA THR A 63 2.731 -4.806 -4.968 1.00 0.00 H new ATOM 0 HB THR A 63 3.782 -3.330 -6.626 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.485 -2.130 -5.770 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.658 -1.207 -6.067 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.613 -2.586 -5.652 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.498 -1.724 -4.372 1.00 0.00 H new ATOM 894 N ALA A 64 4.953 -5.686 -6.094 1.00 0.00 N ATOM 895 CA ALA A 64 6.020 -6.620 -6.409 1.00 0.00 C ATOM 896 C ALA A 64 7.338 -5.855 -6.546 1.00 0.00 C ATOM 897 O ALA A 64 7.385 -4.802 -7.180 1.00 0.00 O ATOM 898 CB ALA A 64 5.661 -7.396 -7.678 1.00 0.00 C ATOM 0 H ALA A 64 4.363 -5.430 -6.886 1.00 0.00 H new ATOM 0 HA ALA A 64 6.143 -7.347 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.462 -8.097 -7.915 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.733 -7.945 -7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.532 -6.699 -8.506 1.00 0.00 H new ATOM 904 N LEU A 65 8.376 -6.414 -5.941 1.00 0.00 N ATOM 905 CA LEU A 65 9.691 -5.798 -5.988 1.00 0.00 C ATOM 906 C LEU A 65 9.938 -5.241 -7.391 1.00 0.00 C ATOM 907 O LEU A 65 9.302 -5.667 -8.353 1.00 0.00 O ATOM 908 CB LEU A 65 10.762 -6.785 -5.520 1.00 0.00 C ATOM 909 CG LEU A 65 10.933 -6.922 -4.006 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.980 -5.937 -3.481 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.591 -6.769 -3.287 1.00 0.00 C ATOM 0 H LEU A 65 8.333 -7.287 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 65 9.743 -4.957 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.526 -7.767 -5.929 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.718 -6.483 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 65 11.300 -7.926 -3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.082 -6.055 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.939 -6.135 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.666 -4.918 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.740 -6.871 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.172 -5.786 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.903 -7.541 -3.632 1.00 0.00 H new ATOM 923 N LYS A 66 10.865 -4.296 -7.463 1.00 0.00 N ATOM 924 CA LYS A 66 11.204 -3.676 -8.732 1.00 0.00 C ATOM 925 C LYS A 66 12.699 -3.351 -8.752 1.00 0.00 C ATOM 926 O LYS A 66 13.400 -3.576 -7.767 1.00 0.00 O ATOM 927 CB LYS A 66 10.308 -2.464 -8.994 1.00 0.00 C ATOM 928 CG LYS A 66 8.894 -2.902 -9.383 1.00 0.00 C ATOM 929 CD LYS A 66 8.875 -3.506 -10.788 1.00 0.00 C ATOM 930 CE LYS A 66 7.439 -3.704 -11.280 1.00 0.00 C ATOM 931 NZ LYS A 66 7.135 -5.146 -11.422 1.00 0.00 N ATOM 0 H LYS A 66 11.391 -3.945 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 66 11.015 -4.366 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.267 -1.838 -8.102 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.736 -1.856 -9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.525 -3.633 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.220 -2.046 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.412 -2.853 -11.476 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.397 -4.463 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.741 -3.246 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.304 -3.201 -12.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.157 -5.263 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.789 -5.573 -12.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.244 -5.616 -10.501 1.00 0.00 H new ATOM 945 N LYS A 67 13.143 -2.826 -9.885 1.00 0.00 N ATOM 946 CA LYS A 67 14.542 -2.468 -10.046 1.00 0.00 C ATOM 947 C LYS A 67 14.689 -0.948 -9.945 1.00 0.00 C ATOM 948 O LYS A 67 14.228 -0.217 -10.819 1.00 0.00 O ATOM 949 CB LYS A 67 15.099 -3.054 -11.345 1.00 0.00 C ATOM 950 CG LYS A 67 16.337 -2.283 -11.808 1.00 0.00 C ATOM 951 CD LYS A 67 17.446 -3.240 -12.248 1.00 0.00 C ATOM 952 CE LYS A 67 16.987 -4.111 -13.419 1.00 0.00 C ATOM 953 NZ LYS A 67 17.792 -5.351 -13.490 1.00 0.00 N ATOM 0 H LYS A 67 12.559 -2.640 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 67 15.141 -2.901 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.355 -4.103 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.334 -3.020 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.071 -1.624 -12.635 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.699 -1.649 -10.999 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.329 -2.670 -12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.737 -3.874 -11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.933 -4.361 -13.302 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.081 -3.555 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.467 -5.930 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.794 -5.107 -13.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.681 -5.888 -12.606 1.00 0.00 H new ATOM 967 N ARG A 68 15.335 -0.519 -8.870 1.00 0.00 N ATOM 968 CA ARG A 68 15.549 0.900 -8.643 1.00 0.00 C ATOM 969 C ARG A 68 15.845 1.610 -9.965 1.00 0.00 C ATOM 970 O ARG A 68 16.768 1.231 -10.685 1.00 0.00 O ATOM 971 CB ARG A 68 16.710 1.134 -7.675 1.00 0.00 C ATOM 972 CG ARG A 68 16.513 2.429 -6.885 1.00 0.00 C ATOM 973 CD ARG A 68 17.040 3.634 -7.667 1.00 0.00 C ATOM 974 NE ARG A 68 18.474 3.446 -7.981 1.00 0.00 N ATOM 975 CZ ARG A 68 19.202 4.304 -8.709 1.00 0.00 C ATOM 976 NH1 ARG A 68 18.635 5.413 -9.202 1.00 0.00 N ATOM 977 NH2 ARG A 68 20.497 4.052 -8.944 1.00 0.00 N ATOM 0 H ARG A 68 15.717 -1.129 -8.147 1.00 0.00 H new ATOM 0 HA ARG A 68 14.638 1.307 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.789 0.293 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.647 1.181 -8.230 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.454 2.568 -6.666 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.030 2.358 -5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.471 3.757 -8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.903 4.545 -7.084 1.00 0.00 H new ATOM 0 HE ARG A 68 18.937 2.612 -7.621 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.649 5.604 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.189 6.066 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.928 3.207 -8.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 21.051 4.705 -9.498 1.00 0.00 H new ATOM 991 N GLN A 69 15.046 2.629 -10.245 1.00 0.00 N ATOM 992 CA GLN A 69 15.211 3.396 -11.468 1.00 0.00 C ATOM 993 C GLN A 69 14.883 4.870 -11.219 1.00 0.00 C ATOM 994 O GLN A 69 14.420 5.232 -10.139 1.00 0.00 O ATOM 995 CB GLN A 69 14.347 2.825 -12.594 1.00 0.00 C ATOM 996 CG GLN A 69 14.996 1.582 -13.206 1.00 0.00 C ATOM 997 CD GLN A 69 16.260 1.950 -13.985 1.00 0.00 C ATOM 998 OE1 GLN A 69 17.370 1.600 -13.619 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.032 2.674 -15.077 1.00 0.00 N ATOM 0 H GLN A 69 14.282 2.941 -9.646 1.00 0.00 H new ATOM 0 HA GLN A 69 16.253 3.324 -11.781 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.360 2.571 -12.207 1.00 0.00 H new ATOM 0 HB3 GLN A 69 14.202 3.581 -13.365 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.245 0.872 -12.417 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.287 1.087 -13.869 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.078 2.933 -15.327 1.00 0.00 H new ATOM 0 HE22 GLN A 69 16.811 2.970 -15.665 1.00 0.00 H new ATOM 1008 N LEU A 70 15.136 5.679 -12.237 1.00 0.00 N ATOM 1009 CA LEU A 70 14.873 7.105 -12.142 1.00 0.00 C ATOM 1010 C LEU A 70 13.362 7.344 -12.173 1.00 0.00 C ATOM 1011 O LEU A 70 12.905 8.472 -11.991 1.00 0.00 O ATOM 1012 CB LEU A 70 15.638 7.865 -13.228 1.00 0.00 C ATOM 1013 CG LEU A 70 17.043 8.339 -12.851 1.00 0.00 C ATOM 1014 CD1 LEU A 70 18.069 7.904 -13.900 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.067 9.851 -12.619 1.00 0.00 C ATOM 0 H LEU A 70 15.520 5.375 -13.131 1.00 0.00 H new ATOM 0 HA LEU A 70 15.239 7.497 -11.193 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.716 7.224 -14.106 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.049 8.734 -13.519 1.00 0.00 H new ATOM 0 HG LEU A 70 17.323 7.864 -11.911 1.00 0.00 H new ATOM 0 HD11 LEU A 70 19.059 8.254 -13.608 1.00 0.00 H new ATOM 0 HD12 LEU A 70 18.075 6.817 -13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.804 8.331 -14.867 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.077 10.162 -12.352 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.758 10.364 -13.530 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.383 10.106 -11.809 1.00 0.00 H new ATOM 1027 N HIS A 71 12.629 6.265 -12.405 1.00 0.00 N ATOM 1028 CA HIS A 71 11.179 6.344 -12.463 1.00 0.00 C ATOM 1029 C HIS A 71 10.595 4.937 -12.603 1.00 0.00 C ATOM 1030 O HIS A 71 10.206 4.528 -13.696 1.00 0.00 O ATOM 1031 CB HIS A 71 10.730 7.287 -13.581 1.00 0.00 C ATOM 1032 CG HIS A 71 9.231 7.413 -13.712 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.614 7.847 -14.872 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.233 7.157 -12.818 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.304 7.849 -14.674 1.00 0.00 C ATOM 1036 NE2 HIS A 71 7.070 7.422 -13.400 1.00 0.00 N ATOM 0 H HIS A 71 13.012 5.332 -12.555 1.00 0.00 H new ATOM 0 HA HIS A 71 10.796 6.768 -11.535 1.00 0.00 H new ATOM 0 HB2 HIS A 71 11.153 8.275 -13.401 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.139 6.933 -14.527 1.00 0.00 H new ATOM 0 HD1 HIS A 71 9.087 8.119 -15.733 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.367 6.799 -11.808 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.553 8.138 -15.395 1.00 0.00 H new ATOM 1044 N THR A 72 10.551 4.234 -11.480 1.00 0.00 N ATOM 1045 CA THR A 72 10.020 2.882 -11.464 1.00 0.00 C ATOM 1046 C THR A 72 8.494 2.907 -11.568 1.00 0.00 C ATOM 1047 O THR A 72 7.857 3.882 -11.172 1.00 0.00 O ATOM 1048 CB THR A 72 10.532 2.189 -10.200 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.949 2.200 -10.347 1.00 0.00 O ATOM 1050 CG2 THR A 72 10.174 0.701 -10.162 1.00 0.00 C ATOM 0 H THR A 72 10.875 4.576 -10.575 1.00 0.00 H new ATOM 0 HA THR A 72 10.363 2.311 -12.327 1.00 0.00 H new ATOM 0 HB THR A 72 10.118 2.685 -9.322 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.362 1.771 -9.569 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.561 0.257 -9.245 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.090 0.587 -10.192 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.616 0.198 -11.022 1.00 0.00 H new ATOM 1058 N THR A 73 7.951 1.823 -12.102 1.00 0.00 N ATOM 1059 CA THR A 73 6.512 1.708 -12.263 1.00 0.00 C ATOM 1060 C THR A 73 6.053 0.281 -11.954 1.00 0.00 C ATOM 1061 O THR A 73 6.860 -0.646 -11.945 1.00 0.00 O ATOM 1062 CB THR A 73 6.156 2.167 -13.678 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.972 1.358 -14.521 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.624 3.595 -13.965 1.00 0.00 C ATOM 0 H THR A 73 8.482 1.016 -12.429 1.00 0.00 H new ATOM 0 HA THR A 73 5.983 2.347 -11.556 1.00 0.00 H new ATOM 0 HB THR A 73 5.077 2.103 -13.820 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.804 1.589 -15.458 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.346 3.871 -14.982 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.152 4.281 -13.261 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.707 3.652 -13.856 1.00 0.00 H new ATOM 1072 N TRP A 74 4.758 0.151 -11.707 1.00 0.00 N ATOM 1073 CA TRP A 74 4.181 -1.146 -11.398 1.00 0.00 C ATOM 1074 C TRP A 74 2.989 -1.369 -12.331 1.00 0.00 C ATOM 1075 O TRP A 74 2.404 -0.411 -12.834 1.00 0.00 O ATOM 1076 CB TRP A 74 3.808 -1.242 -9.918 1.00 0.00 C ATOM 1077 CG TRP A 74 5.009 -1.399 -8.982 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.517 -2.530 -8.475 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.836 -0.338 -8.459 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.606 -2.277 -7.666 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.807 -0.902 -7.657 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.766 1.052 -8.658 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.781 -0.150 -6.989 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.747 1.789 -7.984 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.731 1.237 -7.173 1.00 0.00 C ATOM 0 H TRP A 74 4.092 0.923 -11.715 1.00 0.00 H new ATOM 0 HA TRP A 74 4.908 -1.941 -11.567 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.254 -0.347 -9.635 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.137 -2.090 -9.777 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.124 -3.516 -8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.161 -2.972 -7.166 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.015 1.514 -9.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.530 -0.615 -6.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.738 2.862 -8.103 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.454 1.875 -6.687 1.00 0.00 H new ATOM 1096 N GLU A 75 2.665 -2.637 -12.533 1.00 0.00 N ATOM 1097 CA GLU A 75 1.553 -2.997 -13.396 1.00 0.00 C ATOM 1098 C GLU A 75 0.356 -3.450 -12.558 1.00 0.00 C ATOM 1099 O GLU A 75 -0.535 -4.133 -13.061 1.00 0.00 O ATOM 1100 CB GLU A 75 1.963 -4.080 -14.396 1.00 0.00 C ATOM 1101 CG GLU A 75 1.055 -4.063 -15.627 1.00 0.00 C ATOM 1102 CD GLU A 75 1.145 -5.384 -16.393 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.941 -6.432 -15.743 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.415 -5.316 -17.612 1.00 0.00 O ATOM 0 H GLU A 75 3.153 -3.428 -12.114 1.00 0.00 H new ATOM 0 HA GLU A 75 1.260 -2.115 -13.966 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.998 -3.925 -14.701 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.915 -5.058 -13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.024 -3.886 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.339 -3.239 -16.281 1.00 0.00 H new ATOM 1111 N GLU A 76 0.373 -3.050 -11.295 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.701 -3.406 -10.383 1.00 0.00 C ATOM 1113 C GLU A 76 -0.947 -2.273 -9.385 1.00 0.00 C ATOM 1114 O GLU A 76 -0.462 -1.158 -9.575 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.392 -4.717 -9.658 1.00 0.00 C ATOM 1116 CG GLU A 76 0.753 -4.535 -8.659 1.00 0.00 C ATOM 1117 CD GLU A 76 1.295 -5.888 -8.194 1.00 0.00 C ATOM 1118 OE1 GLU A 76 1.496 -6.752 -9.075 1.00 0.00 O ATOM 1119 OE2 GLU A 76 1.497 -6.028 -6.968 1.00 0.00 O ATOM 0 H GLU A 76 1.113 -2.483 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.611 -3.556 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.283 -5.067 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.127 -5.485 -10.385 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.554 -3.957 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.403 -3.964 -7.799 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.700 -2.597 -8.345 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.017 -1.619 -7.317 1.00 0.00 C ATOM 1128 C GLY A 77 -2.310 -2.304 -5.981 1.00 0.00 C ATOM 1129 O GLY A 77 -2.468 -3.523 -5.925 1.00 0.00 O ATOM 0 H GLY A 77 -2.100 -3.523 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.184 -0.926 -7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.881 -1.029 -7.625 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.373 -1.491 -4.936 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.644 -2.004 -3.604 1.00 0.00 C ATOM 1135 C LEU A 78 -4.133 -1.844 -3.294 1.00 0.00 C ATOM 1136 O LEU A 78 -4.855 -1.171 -4.028 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.727 -1.337 -2.577 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.287 -1.084 -3.028 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.367 0.013 -2.184 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.528 -2.379 -3.015 1.00 0.00 C ATOM 0 H LEU A 78 -2.241 -0.481 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.420 -3.070 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.170 -0.383 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.703 -1.960 -1.683 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.310 -0.728 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.390 0.173 -2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.199 0.938 -2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.377 -0.291 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.547 -2.171 -3.340 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.545 -2.788 -2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.073 -3.102 -3.691 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.550 -2.475 -2.206 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.940 -2.411 -1.790 1.00 0.00 C ATOM 1154 C VAL A 79 -6.051 -2.847 -0.327 1.00 0.00 C ATOM 1155 O VAL A 79 -5.782 -4.001 0.002 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.807 -3.250 -2.731 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.985 -4.360 -3.389 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -8.017 -3.827 -1.993 1.00 0.00 C ATOM 0 H VAL A 79 -3.949 -3.033 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.311 -1.388 -1.853 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.177 -2.595 -3.520 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.625 -4.942 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.171 -3.918 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.572 -5.012 -2.619 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.617 -4.419 -2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.676 -4.461 -1.174 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.622 -3.013 -1.594 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.448 -1.900 0.511 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.597 -2.172 1.930 1.00 0.00 C ATOM 1170 C LEU A 80 -8.084 -2.164 2.293 1.00 0.00 C ATOM 1171 O LEU A 80 -8.852 -1.365 1.760 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.758 -1.194 2.754 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.248 -1.441 2.755 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.938 -2.938 2.812 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.581 -0.762 1.558 1.00 0.00 C ATOM 0 H LEU A 80 -6.671 -0.944 0.234 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.215 -3.164 2.170 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.941 -0.186 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.111 -1.222 3.785 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.828 -0.991 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.858 -3.086 2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.362 -3.363 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.372 -3.433 1.943 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.508 -0.953 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.000 -1.161 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.759 0.312 1.603 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.454 -3.087 3.220 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.835 -3.193 3.660 1.00 0.00 C ATOM 1189 C PRO A 81 -10.199 -2.046 4.605 1.00 0.00 C ATOM 1190 O PRO A 81 -9.503 -1.803 5.589 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.934 -4.560 4.319 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.506 -4.973 4.638 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.572 -4.050 3.873 1.00 0.00 C ATOM 0 HA PRO A 81 -10.546 -3.109 2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.539 -4.514 5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.410 -5.281 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.319 -4.903 5.709 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.336 -6.011 4.352 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.870 -3.553 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.980 -4.602 3.143 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.290 -1.372 4.273 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.756 -0.257 5.079 1.00 0.00 C ATOM 1203 C LEU A 82 -13.245 -0.029 4.816 1.00 0.00 C ATOM 1204 O LEU A 82 -13.691 -0.078 3.670 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.891 0.981 4.831 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.412 2.293 5.423 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -12.426 2.952 4.487 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.984 2.072 6.825 1.00 0.00 C ATOM 0 H LEU A 82 -11.865 -1.577 3.456 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.651 -0.484 6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.897 0.792 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.777 1.111 3.755 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.572 2.981 5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.780 3.882 4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.952 3.165 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.270 2.279 4.333 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.347 3.019 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.808 1.360 6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.205 1.679 7.478 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.974 0.215 5.895 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.404 0.451 5.795 1.00 0.00 C ATOM 1222 C ALA A 83 -15.654 1.932 5.501 1.00 0.00 C ATOM 1223 O ALA A 83 -14.821 2.780 5.818 1.00 0.00 O ATOM 1224 CB ALA A 83 -16.089 -0.012 7.082 1.00 0.00 C ATOM 0 H ALA A 83 -13.601 0.254 6.843 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.831 -0.124 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -17.162 0.165 7.007 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.906 -1.076 7.229 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.688 0.545 7.929 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.803 2.197 4.898 1.00 0.00 N ATOM 1231 CA GLU A 84 -17.173 3.561 4.558 1.00 0.00 C ATOM 1232 C GLU A 84 -17.522 4.347 5.823 1.00 0.00 C ATOM 1233 O GLU A 84 -17.560 5.576 5.803 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.333 3.582 3.561 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.388 4.915 2.812 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.829 5.283 2.452 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.534 4.385 1.943 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.192 6.454 2.694 1.00 0.00 O ATOM 0 H GLU A 84 -17.491 1.491 4.636 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.319 4.041 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.220 2.765 2.849 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.273 3.418 4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.951 5.701 3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.788 4.851 1.904 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.769 3.606 6.893 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.114 4.218 8.164 1.00 0.00 C ATOM 1247 C GLU A 85 -16.848 4.525 8.967 1.00 0.00 C ATOM 1248 O GLU A 85 -16.919 5.113 10.045 1.00 0.00 O ATOM 1249 CB GLU A 85 -19.066 3.326 8.963 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.303 2.199 9.663 1.00 0.00 C ATOM 1251 CD GLU A 85 -19.238 1.040 10.015 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.596 0.295 9.078 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.575 0.926 11.214 1.00 0.00 O ATOM 0 H GLU A 85 -17.737 2.587 6.905 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.631 5.157 7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.597 3.925 9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.818 2.902 8.297 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.502 1.841 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.834 2.581 10.570 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.718 4.113 8.410 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.438 4.337 9.060 1.00 0.00 C ATOM 1262 C GLU A 86 -13.534 5.193 8.171 1.00 0.00 C ATOM 1263 O GLU A 86 -12.443 5.584 8.583 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.763 3.010 9.412 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.657 2.165 10.323 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.912 1.755 11.595 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.824 1.156 11.447 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.447 2.048 12.686 1.00 0.00 O ATOM 0 H GLU A 86 -15.663 3.625 7.516 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.614 4.876 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.542 2.457 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.811 3.202 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.551 2.730 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.989 1.275 9.789 1.00 0.00 H new ATOM 1275 N LEU A 87 -14.020 5.458 6.967 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.269 6.261 6.017 1.00 0.00 C ATOM 1277 C LEU A 87 -12.644 7.452 6.744 1.00 0.00 C ATOM 1278 O LEU A 87 -11.447 7.704 6.615 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.155 6.658 4.834 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.217 5.658 3.677 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.367 5.992 2.725 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.874 5.579 2.948 1.00 0.00 C ATOM 0 H LEU A 87 -14.925 5.131 6.628 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.449 5.682 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.168 6.820 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.801 7.612 4.445 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.418 4.670 4.090 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.389 5.266 1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.311 5.956 3.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.222 6.992 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.945 4.861 2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.619 6.560 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.100 5.259 3.645 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.504 8.173 7.513 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.048 9.332 8.261 1.00 0.00 C ATOM 1296 C PRO A 88 -12.247 8.909 9.493 1.00 0.00 C ATOM 1297 O PRO A 88 -11.437 9.680 10.007 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.313 10.098 8.609 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.457 9.109 8.450 1.00 0.00 C ATOM 1300 CD PRO A 88 -14.928 7.904 7.689 1.00 0.00 C ATOM 0 HA PRO A 88 -12.363 9.959 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.269 10.483 9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.444 10.956 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.839 8.807 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.286 9.567 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.091 6.981 8.246 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.431 7.790 6.729 1.00 0.00 H new ATOM 1308 N THR A 89 -12.501 7.685 9.933 1.00 0.00 N ATOM 1309 CA THR A 89 -11.813 7.150 11.096 1.00 0.00 C ATOM 1310 C THR A 89 -10.698 6.196 10.664 1.00 0.00 C ATOM 1311 O THR A 89 -10.339 5.280 11.402 1.00 0.00 O ATOM 1312 CB THR A 89 -12.857 6.493 12.001 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.067 5.211 11.416 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.224 7.174 11.908 1.00 0.00 C ATOM 0 H THR A 89 -13.174 7.049 9.505 1.00 0.00 H new ATOM 0 HA THR A 89 -11.320 7.940 11.663 1.00 0.00 H new ATOM 0 HB THR A 89 -12.509 6.518 13.034 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.828 4.773 11.851 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.928 6.669 12.570 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.131 8.218 12.206 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.588 7.120 10.882 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.180 6.444 9.470 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.113 5.619 8.931 1.00 0.00 C ATOM 1324 C ALA A 90 -8.147 6.498 8.133 1.00 0.00 C ATOM 1325 O ALA A 90 -8.537 7.545 7.618 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.714 4.495 8.083 1.00 0.00 C ATOM 0 H ALA A 90 -10.480 7.205 8.861 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.546 5.152 9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.913 3.876 7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.369 3.882 8.703 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.289 4.925 7.263 1.00 0.00 H new ATOM 1332 N THR A 91 -6.907 6.040 8.055 1.00 0.00 N ATOM 1333 CA THR A 91 -5.883 6.771 7.329 1.00 0.00 C ATOM 1334 C THR A 91 -4.992 5.806 6.545 1.00 0.00 C ATOM 1335 O THR A 91 -4.711 4.701 7.006 1.00 0.00 O ATOM 1336 CB THR A 91 -5.112 7.629 8.334 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.120 8.135 9.204 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.509 8.881 7.694 1.00 0.00 C ATOM 0 H THR A 91 -6.588 5.171 8.483 1.00 0.00 H new ATOM 0 HA THR A 91 -6.324 7.434 6.584 1.00 0.00 H new ATOM 0 HB THR A 91 -4.318 7.034 8.785 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.707 8.702 9.889 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.973 9.454 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.818 8.589 6.903 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.306 9.493 7.272 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.573 6.258 5.372 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.720 5.447 4.519 1.00 0.00 C ATOM 1348 C LEU A 92 -2.308 6.037 4.510 1.00 0.00 C ATOM 1349 O LEU A 92 -2.113 7.185 4.112 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.335 5.304 3.126 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.437 4.680 2.057 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.677 5.757 1.281 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.494 3.642 2.670 1.00 0.00 C ATOM 0 H LEU A 92 -4.808 7.175 4.992 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.641 4.434 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -5.239 4.701 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.642 6.292 2.783 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.072 4.156 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.046 5.286 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.388 6.424 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.055 6.330 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.867 3.214 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.864 4.121 3.419 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.079 2.851 3.139 1.00 0.00 H new ATOM 1365 N THR A 93 -1.359 5.225 4.953 1.00 0.00 N ATOM 1366 CA THR A 93 0.029 5.652 5.000 1.00 0.00 C ATOM 1367 C THR A 93 0.899 4.735 4.138 1.00 0.00 C ATOM 1368 O THR A 93 1.049 3.552 4.441 1.00 0.00 O ATOM 1369 CB THR A 93 0.460 5.696 6.467 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.144 6.884 6.971 1.00 0.00 O ATOM 1371 CG2 THR A 93 1.961 5.944 6.629 1.00 0.00 C ATOM 0 H THR A 93 -1.524 4.274 5.282 1.00 0.00 H new ATOM 0 HA THR A 93 0.150 6.651 4.580 1.00 0.00 H new ATOM 0 HB THR A 93 0.193 4.757 6.952 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.083 6.990 7.919 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.214 5.966 7.689 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.517 5.144 6.140 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.223 6.899 6.174 1.00 0.00 H new ATOM 1379 N LEU A 94 1.450 5.315 3.083 1.00 0.00 N ATOM 1380 CA LEU A 94 2.301 4.564 2.175 1.00 0.00 C ATOM 1381 C LEU A 94 3.753 4.658 2.650 1.00 0.00 C ATOM 1382 O LEU A 94 4.167 5.679 3.195 1.00 0.00 O ATOM 1383 CB LEU A 94 2.094 5.035 0.734 1.00 0.00 C ATOM 1384 CG LEU A 94 0.661 4.956 0.202 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.378 6.094 -0.780 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.379 3.584 -0.413 1.00 0.00 C ATOM 0 H LEU A 94 1.324 6.297 2.836 1.00 0.00 H new ATOM 0 HA LEU A 94 2.029 3.508 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.432 6.068 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.736 4.441 0.083 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.023 5.078 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.647 6.015 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.511 7.051 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.067 6.028 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.646 3.555 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.068 3.407 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.513 2.811 0.344 1.00 0.00 H new ATOM 1398 N THR A 95 4.486 3.577 2.424 1.00 0.00 N ATOM 1399 CA THR A 95 5.883 3.525 2.822 1.00 0.00 C ATOM 1400 C THR A 95 6.716 2.822 1.749 1.00 0.00 C ATOM 1401 O THR A 95 6.423 1.687 1.374 1.00 0.00 O ATOM 1402 CB THR A 95 5.959 2.847 4.192 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.600 2.572 4.519 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.421 3.803 5.293 1.00 0.00 C ATOM 0 H THR A 95 4.139 2.731 1.971 1.00 0.00 H new ATOM 0 HA THR A 95 6.306 4.525 2.915 1.00 0.00 H new ATOM 0 HB THR A 95 6.640 1.998 4.139 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.557 2.130 5.393 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.458 3.272 6.244 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.413 4.184 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.722 4.636 5.369 1.00 0.00 H new ATOM 1412 N LEU A 96 7.739 3.524 1.285 1.00 0.00 N ATOM 1413 CA LEU A 96 8.618 2.982 0.263 1.00 0.00 C ATOM 1414 C LEU A 96 9.832 2.334 0.931 1.00 0.00 C ATOM 1415 O LEU A 96 10.787 3.021 1.292 1.00 0.00 O ATOM 1416 CB LEU A 96 8.981 4.061 -0.759 1.00 0.00 C ATOM 1417 CG LEU A 96 10.004 3.659 -1.824 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.472 2.517 -2.692 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.426 4.867 -2.662 1.00 0.00 C ATOM 0 H LEU A 96 7.979 4.465 1.598 1.00 0.00 H new ATOM 0 HA LEU A 96 8.109 2.200 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.068 4.379 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.367 4.927 -0.222 1.00 0.00 H new ATOM 0 HG LEU A 96 10.896 3.290 -1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.218 2.251 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.262 1.651 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.556 2.835 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.153 4.554 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.552 5.289 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 96 10.874 5.621 -2.014 1.00 0.00 H new ATOM 1431 N ARG A 97 9.757 1.019 1.076 1.00 0.00 N ATOM 1432 CA ARG A 97 10.838 0.271 1.695 1.00 0.00 C ATOM 1433 C ARG A 97 11.799 -0.255 0.626 1.00 0.00 C ATOM 1434 O ARG A 97 11.485 -0.229 -0.563 1.00 0.00 O ATOM 1435 CB ARG A 97 10.298 -0.906 2.509 1.00 0.00 C ATOM 1436 CG ARG A 97 9.647 -0.423 3.807 1.00 0.00 C ATOM 1437 CD ARG A 97 8.448 -1.298 4.178 1.00 0.00 C ATOM 1438 NE ARG A 97 8.899 -2.676 4.472 1.00 0.00 N ATOM 1439 CZ ARG A 97 8.073 -3.716 4.646 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.747 -3.541 4.557 1.00 0.00 N ATOM 1441 NH2 ARG A 97 8.571 -4.932 4.910 1.00 0.00 N ATOM 0 H ARG A 97 8.964 0.452 0.775 1.00 0.00 H new ATOM 0 HA ARG A 97 11.369 0.948 2.365 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.569 -1.459 1.916 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.110 -1.596 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.379 -0.442 4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.325 0.612 3.693 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.937 -0.881 5.046 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.728 -1.309 3.360 1.00 0.00 H new ATOM 0 HE ARG A 97 9.902 -2.845 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.367 -2.616 4.357 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.118 -4.333 4.689 1.00 0.00 H new ATOM 0 HH21 ARG A 97 9.580 -5.066 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.941 -5.723 5.042 1.00 0.00 H new ATOM 1455 N THR A 98 12.950 -0.720 1.089 1.00 0.00 N ATOM 1456 CA THR A 98 13.958 -1.251 0.188 1.00 0.00 C ATOM 1457 C THR A 98 14.300 -2.695 0.561 1.00 0.00 C ATOM 1458 O THR A 98 14.277 -3.058 1.736 1.00 0.00 O ATOM 1459 CB THR A 98 15.166 -0.313 0.223 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.572 -0.321 1.589 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.783 1.145 -0.043 1.00 0.00 C ATOM 0 H THR A 98 13.207 -0.740 2.076 1.00 0.00 H new ATOM 0 HA THR A 98 13.589 -1.291 -0.837 1.00 0.00 H new ATOM 0 HB THR A 98 15.899 -0.637 -0.516 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.431 -0.785 1.672 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.676 1.768 -0.007 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.323 1.227 -1.028 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.076 1.480 0.716 1.00 0.00 H new ATOM 1469 N CYS A 99 14.609 -3.480 -0.461 1.00 0.00 N ATOM 1470 CA CYS A 99 14.955 -4.876 -0.255 1.00 0.00 C ATOM 1471 C CYS A 99 16.370 -4.940 0.324 1.00 0.00 C ATOM 1472 O CYS A 99 17.346 -5.014 -0.421 1.00 0.00 O ATOM 1473 CB CYS A 99 14.829 -5.686 -1.546 1.00 0.00 C ATOM 1474 SG CYS A 99 15.039 -7.469 -1.189 1.00 0.00 S ATOM 0 H CYS A 99 14.627 -3.175 -1.434 1.00 0.00 H new ATOM 0 HA CYS A 99 14.255 -5.327 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.855 -5.510 -2.002 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.581 -5.360 -2.265 1.00 0.00 H new ATOM 0 HG CYS A 99 14.928 -8.148 -2.292 1.00 0.00 H new ATOM 1480 N ASP A 100 16.436 -4.908 1.647 1.00 0.00 N ATOM 1481 CA ASP A 100 17.715 -4.962 2.334 1.00 0.00 C ATOM 1482 C ASP A 100 17.666 -6.049 3.409 1.00 0.00 C ATOM 1483 O ASP A 100 16.588 -6.500 3.792 1.00 0.00 O ATOM 1484 CB ASP A 100 18.027 -3.631 3.022 1.00 0.00 C ATOM 1485 CG ASP A 100 18.882 -2.664 2.201 1.00 0.00 C ATOM 1486 OD1 ASP A 100 20.123 -2.780 2.299 1.00 0.00 O ATOM 1487 OD2 ASP A 100 18.276 -1.830 1.495 1.00 0.00 O ATOM 0 H ASP A 100 15.624 -4.845 2.261 1.00 0.00 H new ATOM 0 HA ASP A 100 18.486 -5.176 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 100 17.087 -3.139 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 100 18.539 -3.836 3.962 1.00 0.00 H new ATOM 1492 N ARG A 101 18.848 -6.439 3.864 1.00 0.00 N ATOM 1493 CA ARG A 101 18.954 -7.466 4.887 1.00 0.00 C ATOM 1494 C ARG A 101 18.133 -7.076 6.118 1.00 0.00 C ATOM 1495 O ARG A 101 17.154 -7.741 6.451 1.00 0.00 O ATOM 1496 CB ARG A 101 20.411 -7.681 5.302 1.00 0.00 C ATOM 1497 CG ARG A 101 20.542 -8.886 6.236 1.00 0.00 C ATOM 1498 CD ARG A 101 22.009 -9.279 6.421 1.00 0.00 C ATOM 1499 NE ARG A 101 22.483 -10.034 5.239 1.00 0.00 N ATOM 1500 CZ ARG A 101 23.079 -9.473 4.179 1.00 0.00 C ATOM 1501 NH1 ARG A 101 23.278 -8.148 4.145 1.00 0.00 N ATOM 1502 NH2 ARG A 101 23.477 -10.236 3.151 1.00 0.00 N ATOM 0 H ARG A 101 19.740 -6.063 3.543 1.00 0.00 H new ATOM 0 HA ARG A 101 18.567 -8.394 4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 101 21.027 -7.835 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 101 20.787 -6.787 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 101 20.100 -8.650 7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.985 -9.729 5.828 1.00 0.00 H new ATOM 0 HD2 ARG A 101 22.618 -8.386 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.121 -9.886 7.320 1.00 0.00 H new ATOM 0 HE ARG A 101 22.347 -11.045 5.232 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.976 -7.567 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.732 -7.721 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.326 -11.244 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.931 -9.808 2.344 1.00 0.00 H new ATOM 1516 N PHE A 102 18.562 -5.998 6.759 1.00 0.00 N ATOM 1517 CA PHE A 102 17.878 -5.512 7.945 1.00 0.00 C ATOM 1518 C PHE A 102 17.275 -4.127 7.701 1.00 0.00 C ATOM 1519 O PHE A 102 16.184 -3.827 8.184 1.00 0.00 O ATOM 1520 CB PHE A 102 18.926 -5.410 9.055 1.00 0.00 C ATOM 1521 CG PHE A 102 19.341 -6.760 9.644 1.00 0.00 C ATOM 1522 CD1 PHE A 102 18.394 -7.621 10.105 1.00 0.00 C ATOM 1523 CD2 PHE A 102 20.657 -7.099 9.708 1.00 0.00 C ATOM 1524 CE1 PHE A 102 18.779 -8.873 10.652 1.00 0.00 C ATOM 1525 CE2 PHE A 102 21.042 -8.351 10.255 1.00 0.00 C ATOM 1526 CZ PHE A 102 20.095 -9.212 10.715 1.00 0.00 C ATOM 0 H PHE A 102 19.374 -5.448 6.479 1.00 0.00 H new ATOM 0 HA PHE A 102 17.067 -6.190 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 102 19.811 -4.910 8.661 1.00 0.00 H new ATOM 0 HB3 PHE A 102 18.534 -4.781 9.854 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.349 -7.352 10.055 1.00 0.00 H new ATOM 0 HD2 PHE A 102 21.409 -6.415 9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.027 -9.556 11.018 1.00 0.00 H new ATOM 0 HE2 PHE A 102 22.087 -8.620 10.306 1.00 0.00 H new ATOM 0 HZ PHE A 102 20.388 -10.165 11.130 1.00 0.00 H new ATOM 1536 N SER A 103 18.012 -3.320 6.952 1.00 0.00 N ATOM 1537 CA SER A 103 17.563 -1.974 6.638 1.00 0.00 C ATOM 1538 C SER A 103 17.085 -1.271 7.910 1.00 0.00 C ATOM 1539 O SER A 103 16.061 -0.589 7.900 1.00 0.00 O ATOM 1540 CB SER A 103 16.447 -1.995 5.592 1.00 0.00 C ATOM 1541 OG SER A 103 16.793 -1.251 4.426 1.00 0.00 O ATOM 0 H SER A 103 18.917 -3.572 6.554 1.00 0.00 H new ATOM 0 HA SER A 103 18.405 -1.422 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 103 16.231 -3.026 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.535 -1.585 6.026 1.00 0.00 H new ATOM 0 HG SER A 103 15.979 -1.018 3.933 1.00 0.00 H new ATOM 1547 N ARG A 104 17.849 -1.462 8.976 1.00 0.00 N ATOM 1548 CA ARG A 104 17.516 -0.856 10.253 1.00 0.00 C ATOM 1549 C ARG A 104 16.941 0.546 10.042 1.00 0.00 C ATOM 1550 O ARG A 104 15.965 0.925 10.687 1.00 0.00 O ATOM 1551 CB ARG A 104 18.747 -0.763 11.157 1.00 0.00 C ATOM 1552 CG ARG A 104 19.255 -2.156 11.536 1.00 0.00 C ATOM 1553 CD ARG A 104 19.541 -2.246 13.036 1.00 0.00 C ATOM 1554 NE ARG A 104 18.599 -3.192 13.675 1.00 0.00 N ATOM 1555 CZ ARG A 104 18.609 -4.516 13.471 1.00 0.00 C ATOM 1556 NH1 ARG A 104 19.512 -5.059 12.644 1.00 0.00 N ATOM 1557 NH2 ARG A 104 17.716 -5.297 14.094 1.00 0.00 N ATOM 0 H ARG A 104 18.698 -2.028 8.981 1.00 0.00 H new ATOM 0 HA ARG A 104 16.772 -1.489 10.735 1.00 0.00 H new ATOM 0 HB2 ARG A 104 19.536 -0.210 10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 104 18.499 -0.204 12.059 1.00 0.00 H new ATOM 0 HG2 ARG A 104 18.514 -2.905 11.258 1.00 0.00 H new ATOM 0 HG3 ARG A 104 20.162 -2.381 10.975 1.00 0.00 H new ATOM 0 HD2 ARG A 104 20.567 -2.575 13.200 1.00 0.00 H new ATOM 0 HD3 ARG A 104 19.446 -1.261 13.493 1.00 0.00 H new ATOM 0 HE ARG A 104 17.898 -2.812 14.311 1.00 0.00 H new ATOM 0 HH11 ARG A 104 20.192 -4.464 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 104 19.520 -6.067 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 104 17.028 -4.883 14.724 1.00 0.00 H new ATOM 0 HH22 ARG A 104 17.724 -6.305 13.938 1.00 0.00 H new ATOM 1571 N HIS A 105 17.571 1.279 9.135 1.00 0.00 N ATOM 1572 CA HIS A 105 17.135 2.631 8.830 1.00 0.00 C ATOM 1573 C HIS A 105 15.634 2.631 8.533 1.00 0.00 C ATOM 1574 O HIS A 105 15.054 1.585 8.243 1.00 0.00 O ATOM 1575 CB HIS A 105 17.964 3.225 7.690 1.00 0.00 C ATOM 1576 CG HIS A 105 18.165 4.718 7.791 1.00 0.00 C ATOM 1577 ND1 HIS A 105 17.351 5.630 7.141 1.00 0.00 N ATOM 1578 CD2 HIS A 105 19.094 5.449 8.472 1.00 0.00 C ATOM 1579 CE1 HIS A 105 17.781 6.851 7.425 1.00 0.00 C ATOM 1580 NE2 HIS A 105 18.861 6.736 8.250 1.00 0.00 N ATOM 0 H HIS A 105 18.380 0.962 8.601 1.00 0.00 H new ATOM 0 HA HIS A 105 17.300 3.274 9.695 1.00 0.00 H new ATOM 0 HB2 HIS A 105 18.939 2.738 7.671 1.00 0.00 H new ATOM 0 HB3 HIS A 105 17.476 2.998 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 105 19.885 5.048 9.088 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.352 7.775 7.066 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.401 7.512 8.633 1.00 0.00 H new ATOM 1588 N SER A 106 15.046 3.815 8.617 1.00 0.00 N ATOM 1589 CA SER A 106 13.624 3.965 8.361 1.00 0.00 C ATOM 1590 C SER A 106 13.309 3.584 6.913 1.00 0.00 C ATOM 1591 O SER A 106 14.168 3.062 6.205 1.00 0.00 O ATOM 1592 CB SER A 106 13.161 5.396 8.646 1.00 0.00 C ATOM 1593 OG SER A 106 11.787 5.587 8.319 1.00 0.00 O ATOM 0 H SER A 106 15.529 4.680 8.859 1.00 0.00 H new ATOM 0 HA SER A 106 13.084 3.296 9.031 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.318 5.625 9.700 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.771 6.095 8.074 1.00 0.00 H new ATOM 0 HG SER A 106 11.503 6.479 8.609 1.00 0.00 H new ATOM 1599 N VAL A 107 12.076 3.860 6.517 1.00 0.00 N ATOM 1600 CA VAL A 107 11.637 3.553 5.166 1.00 0.00 C ATOM 1601 C VAL A 107 12.319 4.507 4.184 1.00 0.00 C ATOM 1602 O VAL A 107 12.847 5.543 4.584 1.00 0.00 O ATOM 1603 CB VAL A 107 10.110 3.604 5.087 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.475 2.807 6.229 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.610 5.050 5.083 1.00 0.00 C ATOM 0 H VAL A 107 11.366 4.293 7.108 1.00 0.00 H new ATOM 0 HA VAL A 107 11.929 2.540 4.891 1.00 0.00 H new ATOM 0 HB VAL A 107 9.807 3.142 4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.389 2.860 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.793 1.766 6.167 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.790 3.227 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.522 5.058 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.930 5.548 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.022 5.575 4.221 1.00 0.00 H new ATOM 1615 N ALA A 108 12.286 4.123 2.916 1.00 0.00 N ATOM 1616 CA ALA A 108 12.894 4.932 1.873 1.00 0.00 C ATOM 1617 C ALA A 108 12.055 6.194 1.658 1.00 0.00 C ATOM 1618 O ALA A 108 12.493 7.127 0.988 1.00 0.00 O ATOM 1619 CB ALA A 108 13.033 4.099 0.597 1.00 0.00 C ATOM 0 H ALA A 108 11.848 3.263 2.587 1.00 0.00 H new ATOM 0 HA ALA A 108 13.895 5.248 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.489 4.705 -0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.661 3.231 0.796 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.048 3.766 0.270 1.00 0.00 H new ATOM 1625 N GLY A 109 10.865 6.180 2.239 1.00 0.00 N ATOM 1626 CA GLY A 109 9.961 7.312 2.119 1.00 0.00 C ATOM 1627 C GLY A 109 8.530 6.911 2.482 1.00 0.00 C ATOM 1628 O GLY A 109 8.052 5.858 2.066 1.00 0.00 O ATOM 0 H GLY A 109 10.505 5.403 2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.293 8.118 2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.987 7.697 1.099 1.00 0.00 H new ATOM 1632 N GLU A 110 7.886 7.774 3.255 1.00 0.00 N ATOM 1633 CA GLU A 110 6.519 7.523 3.679 1.00 0.00 C ATOM 1634 C GLU A 110 5.579 8.577 3.090 1.00 0.00 C ATOM 1635 O GLU A 110 5.840 9.774 3.194 1.00 0.00 O ATOM 1636 CB GLU A 110 6.416 7.488 5.205 1.00 0.00 C ATOM 1637 CG GLU A 110 4.972 7.706 5.663 1.00 0.00 C ATOM 1638 CD GLU A 110 4.880 7.739 7.190 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.368 6.769 7.809 1.00 0.00 O ATOM 1640 OE2 GLU A 110 4.323 8.734 7.703 1.00 0.00 O ATOM 0 H GLU A 110 8.286 8.647 3.598 1.00 0.00 H new ATOM 0 HA GLU A 110 6.217 6.545 3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.778 6.529 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.057 8.258 5.634 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.594 8.642 5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.339 6.908 5.274 1.00 0.00 H new ATOM 1647 N LEU A 111 4.504 8.093 2.485 1.00 0.00 N ATOM 1648 CA LEU A 111 3.524 8.978 1.879 1.00 0.00 C ATOM 1649 C LEU A 111 2.181 8.809 2.593 1.00 0.00 C ATOM 1650 O LEU A 111 1.504 7.797 2.418 1.00 0.00 O ATOM 1651 CB LEU A 111 3.452 8.743 0.369 1.00 0.00 C ATOM 1652 CG LEU A 111 3.108 9.966 -0.484 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.392 11.032 0.349 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.355 10.521 -1.175 1.00 0.00 C ATOM 0 H LEU A 111 4.290 7.099 2.402 1.00 0.00 H new ATOM 0 HA LEU A 111 3.822 10.019 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.413 8.351 0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.708 7.970 0.177 1.00 0.00 H new ATOM 0 HG LEU A 111 2.418 9.653 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 111 2.159 11.890 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.469 10.618 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.038 11.348 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.083 11.389 -1.775 1.00 0.00 H new ATOM 0 HD22 LEU A 111 5.087 10.815 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.785 9.755 -1.820 1.00 0.00 H new ATOM 1666 N ARG A 112 1.836 9.816 3.382 1.00 0.00 N ATOM 1667 CA ARG A 112 0.587 9.792 4.123 1.00 0.00 C ATOM 1668 C ARG A 112 -0.566 10.264 3.235 1.00 0.00 C ATOM 1669 O ARG A 112 -0.383 11.134 2.385 1.00 0.00 O ATOM 1670 CB ARG A 112 0.665 10.684 5.364 1.00 0.00 C ATOM 1671 CG ARG A 112 0.222 9.923 6.615 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.304 9.877 6.718 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.775 10.872 7.707 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.664 10.722 9.034 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -1.097 9.617 9.539 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.119 11.677 9.857 1.00 0.00 N ATOM 0 H ARG A 112 2.400 10.654 3.524 1.00 0.00 H new ATOM 0 HA ARG A 112 0.409 8.764 4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.686 11.043 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.034 11.562 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 112 0.619 8.908 6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.636 10.403 7.502 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.749 10.082 5.744 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.627 8.878 7.012 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.211 11.725 7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.750 8.890 8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -1.013 9.503 10.549 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.550 12.518 9.473 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.034 11.563 10.867 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.728 9.670 3.463 1.00 0.00 N ATOM 1691 CA LEU A 113 -2.911 10.020 2.694 1.00 0.00 C ATOM 1692 C LEU A 113 -4.152 9.852 3.572 1.00 0.00 C ATOM 1693 O LEU A 113 -4.062 9.352 4.692 1.00 0.00 O ATOM 1694 CB LEU A 113 -2.963 9.213 1.395 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.728 9.309 0.497 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.798 8.289 -0.641 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.537 10.735 -0.023 1.00 0.00 C ATOM 0 H LEU A 113 -1.876 8.949 4.169 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.873 11.066 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.124 8.165 1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.831 9.539 0.822 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.851 9.065 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.908 8.378 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.850 7.283 -0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.685 8.478 -1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.652 10.775 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.412 11.032 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.410 11.415 0.819 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.283 10.279 3.030 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.542 10.183 3.750 1.00 0.00 C ATOM 1711 C GLY A 114 -7.626 9.548 2.877 1.00 0.00 C ATOM 1712 O GLY A 114 -7.522 9.551 1.651 1.00 0.00 O ATOM 0 H GLY A 114 -5.354 10.693 2.100 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.404 9.589 4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.861 11.176 4.067 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.641 9.018 3.542 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.744 8.380 2.842 1.00 0.00 C ATOM 1718 C LEU A 115 -11.048 9.101 3.189 1.00 0.00 C ATOM 1719 O LEU A 115 -12.134 8.594 2.912 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.772 6.880 3.141 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.430 6.244 3.510 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.310 6.763 2.607 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.114 6.453 4.993 1.00 0.00 C ATOM 0 H LEU A 115 -8.724 9.017 4.559 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.610 8.464 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.471 6.706 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.168 6.363 2.267 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.504 5.169 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.367 6.295 2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.538 6.520 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.226 7.844 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.155 5.992 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.066 7.521 5.208 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.896 5.996 5.600 1.00 0.00 H new ATOM 1735 N ASP A 116 -10.897 10.272 3.790 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.050 11.068 4.178 1.00 0.00 C ATOM 1737 C ASP A 116 -12.463 11.963 3.008 1.00 0.00 C ATOM 1738 O ASP A 116 -13.389 12.763 3.131 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.721 11.969 5.369 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.486 12.854 5.190 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.696 12.546 4.271 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -10.359 13.818 5.975 1.00 0.00 O ATOM 0 H ASP A 116 -9.994 10.689 4.018 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.854 10.385 4.453 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.581 12.608 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.576 11.343 6.249 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.756 11.797 1.899 1.00 0.00 N ATOM 1748 CA GLY A 117 -12.038 12.580 0.708 1.00 0.00 C ATOM 1749 C GLY A 117 -11.641 14.044 0.908 1.00 0.00 C ATOM 1750 O GLY A 117 -12.243 14.941 0.318 1.00 0.00 O ATOM 0 H GLY A 117 -10.989 11.132 1.801 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.495 12.165 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -13.100 12.517 0.470 1.00 0.00 H new ATOM 1754 N THR A 118 -10.630 14.242 1.741 1.00 0.00 N ATOM 1755 CA THR A 118 -10.145 15.581 2.026 1.00 0.00 C ATOM 1756 C THR A 118 -8.738 15.772 1.457 1.00 0.00 C ATOM 1757 O THR A 118 -8.573 16.323 0.369 1.00 0.00 O ATOM 1758 CB THR A 118 -10.224 15.801 3.538 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.591 16.129 3.771 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.460 17.048 3.989 1.00 0.00 C ATOM 0 H THR A 118 -10.133 13.496 2.228 1.00 0.00 H new ATOM 0 HA THR A 118 -10.763 16.336 1.540 1.00 0.00 H new ATOM 0 HB THR A 118 -9.827 14.926 4.053 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.731 16.286 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.548 17.158 5.070 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.409 16.948 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.878 17.928 3.500 1.00 0.00 H new ATOM 1768 N SER A 119 -7.758 15.305 2.217 1.00 0.00 N ATOM 1769 CA SER A 119 -6.370 15.417 1.802 1.00 0.00 C ATOM 1770 C SER A 119 -6.246 15.121 0.306 1.00 0.00 C ATOM 1771 O SER A 119 -5.857 15.991 -0.472 1.00 0.00 O ATOM 1772 CB SER A 119 -5.477 14.471 2.607 1.00 0.00 C ATOM 1773 OG SER A 119 -5.523 14.751 4.003 1.00 0.00 O ATOM 0 H SER A 119 -7.898 14.848 3.118 1.00 0.00 H new ATOM 0 HA SER A 119 -6.037 16.437 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.790 13.442 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.449 14.555 2.254 1.00 0.00 H new ATOM 0 HG SER A 119 -4.941 14.124 4.482 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.584 13.891 -0.051 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.515 13.470 -1.440 1.00 0.00 C ATOM 1781 C VAL A 120 -7.869 12.898 -1.863 1.00 0.00 C ATOM 1782 O VAL A 120 -8.490 12.144 -1.115 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.363 12.481 -1.630 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -4.054 13.215 -1.932 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.213 11.572 -0.409 1.00 0.00 C ATOM 0 H VAL A 120 -6.906 13.172 0.597 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.305 14.322 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.600 11.852 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.252 12.489 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.167 13.799 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.810 13.880 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.387 10.879 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.010 12.179 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.135 11.010 -0.259 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.300 13.289 -3.092 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.569 12.824 -3.624 1.00 0.00 C ATOM 1797 C PRO A 121 -9.471 11.367 -4.083 1.00 0.00 C ATOM 1798 O PRO A 121 -8.381 10.798 -4.124 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.897 13.783 -4.757 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.586 14.462 -5.120 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.591 14.181 -4.006 1.00 0.00 C ATOM 0 HA PRO A 121 -10.363 12.825 -2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.311 13.250 -5.613 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.643 14.514 -4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.211 14.084 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.732 15.536 -5.239 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.685 13.714 -4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.287 15.100 -3.506 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.624 10.807 -4.417 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.681 9.428 -4.872 1.00 0.00 C ATOM 1811 C LEU A 122 -10.725 9.401 -6.401 1.00 0.00 C ATOM 1812 O LEU A 122 -11.141 10.372 -7.031 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.849 8.694 -4.210 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.679 8.363 -2.726 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -13.004 7.908 -2.110 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.567 7.334 -2.517 1.00 0.00 C ATOM 0 H LEU A 122 -11.526 11.283 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.783 8.889 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.746 9.302 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -12.022 7.764 -4.752 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.378 9.272 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.855 7.679 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.743 8.703 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.359 7.017 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.467 7.117 -1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.814 6.418 -3.053 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.626 7.733 -2.895 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.290 8.278 -6.954 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.275 8.112 -8.397 1.00 0.00 C ATOM 1830 C GLY A 123 -9.536 9.268 -9.074 1.00 0.00 C ATOM 1831 O GLY A 123 -9.813 9.596 -10.227 1.00 0.00 O ATOM 0 H GLY A 123 -9.945 7.475 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.794 7.168 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.297 8.060 -8.771 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.611 9.854 -8.329 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.830 10.967 -8.843 1.00 0.00 C ATOM 1837 C ALA A 124 -6.341 10.667 -8.659 1.00 0.00 C ATOM 1838 O ALA A 124 -5.847 10.623 -7.533 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.256 12.257 -8.140 1.00 0.00 C ATOM 0 H ALA A 124 -8.384 9.579 -7.373 1.00 0.00 H new ATOM 0 HA ALA A 124 -8.010 11.102 -9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.670 13.092 -8.525 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.314 12.440 -8.325 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.087 12.160 -7.068 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.667 10.469 -9.782 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.244 10.175 -9.760 1.00 0.00 C ATOM 1847 C ALA A 125 -3.467 11.461 -9.473 1.00 0.00 C ATOM 1848 O ALA A 125 -3.543 12.421 -10.238 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.835 9.529 -11.085 1.00 0.00 C ATOM 0 H ALA A 125 -6.080 10.506 -10.714 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.011 9.465 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.768 9.309 -11.068 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.394 8.604 -11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -4.051 10.213 -11.905 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.736 11.439 -8.368 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.945 12.591 -7.970 1.00 0.00 C ATOM 1857 C GLN A 126 -0.562 12.146 -7.491 1.00 0.00 C ATOM 1858 O GLN A 126 -0.407 11.042 -6.972 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.664 13.404 -6.892 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.396 12.486 -5.910 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.911 12.568 -6.109 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -5.411 13.239 -6.997 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.610 11.850 -5.235 1.00 0.00 N ATOM 0 H GLN A 126 -2.675 10.641 -7.736 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.816 13.236 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.943 14.018 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -3.376 14.085 -7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -3.062 11.458 -6.050 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -3.144 12.767 -4.887 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -5.127 11.311 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.629 11.839 -5.283 1.00 0.00 H new ATOM 1872 N TRP A 127 0.408 13.028 -7.682 1.00 0.00 N ATOM 1873 CA TRP A 127 1.773 12.740 -7.275 1.00 0.00 C ATOM 1874 C TRP A 127 1.989 13.342 -5.886 1.00 0.00 C ATOM 1875 O TRP A 127 1.529 14.448 -5.606 1.00 0.00 O ATOM 1876 CB TRP A 127 2.774 13.254 -8.312 1.00 0.00 C ATOM 1877 CG TRP A 127 2.933 12.340 -9.529 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.174 12.296 -10.633 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.950 11.334 -9.722 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.626 11.339 -11.519 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.740 10.736 -10.948 1.00 0.00 C ATOM 1882 CE3 TRP A 127 5.013 10.943 -8.888 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.552 9.712 -11.450 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.814 9.918 -9.404 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.616 9.306 -10.636 1.00 0.00 C ATOM 0 H TRP A 127 0.276 13.943 -8.113 1.00 0.00 H new ATOM 0 HA TRP A 127 1.940 11.664 -7.218 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.457 14.241 -8.650 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.746 13.378 -7.834 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.317 12.930 -10.807 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.217 11.115 -12.426 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.196 11.398 -7.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.367 9.260 -12.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.644 9.579 -8.803 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.280 8.520 -10.964 1.00 0.00 H new ATOM 1896 N GLY A 128 2.690 12.588 -5.052 1.00 0.00 N ATOM 1897 CA GLY A 128 2.973 13.034 -3.698 1.00 0.00 C ATOM 1898 C GLY A 128 4.453 12.843 -3.356 1.00 0.00 C ATOM 1899 O GLY A 128 5.092 11.915 -3.848 1.00 0.00 O ATOM 0 H GLY A 128 3.070 11.671 -5.288 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.705 14.085 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.358 12.477 -2.992 1.00 0.00 H new ATOM 1903 N GLU A 129 4.953 13.738 -2.516 1.00 0.00 N ATOM 1904 CA GLU A 129 6.345 13.680 -2.103 1.00 0.00 C ATOM 1905 C GLU A 129 6.494 12.795 -0.864 1.00 0.00 C ATOM 1906 O GLU A 129 5.749 12.945 0.104 1.00 0.00 O ATOM 1907 CB GLU A 129 6.899 15.082 -1.846 1.00 0.00 C ATOM 1908 CG GLU A 129 7.826 15.522 -2.981 1.00 0.00 C ATOM 1909 CD GLU A 129 7.583 16.987 -3.350 1.00 0.00 C ATOM 1910 OE1 GLU A 129 8.242 17.847 -2.726 1.00 0.00 O ATOM 1911 OE2 GLU A 129 6.744 17.215 -4.248 1.00 0.00 O ATOM 0 H GLU A 129 4.419 14.507 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 129 6.926 13.239 -2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.076 15.790 -1.749 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.443 15.094 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.865 15.386 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.662 14.891 -3.855 1.00 0.00 H new ATOM 1918 N LEU A 130 7.462 11.893 -0.933 1.00 0.00 N ATOM 1919 CA LEU A 130 7.718 10.984 0.171 1.00 0.00 C ATOM 1920 C LEU A 130 8.146 11.789 1.400 1.00 0.00 C ATOM 1921 O LEU A 130 8.934 12.727 1.288 1.00 0.00 O ATOM 1922 CB LEU A 130 8.727 9.910 -0.242 1.00 0.00 C ATOM 1923 CG LEU A 130 8.233 8.884 -1.264 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.409 8.183 -1.948 1.00 0.00 C ATOM 1925 CD2 LEU A 130 7.268 7.888 -0.619 1.00 0.00 C ATOM 0 H LEU A 130 8.079 11.772 -1.737 1.00 0.00 H new ATOM 0 HA LEU A 130 6.808 10.447 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.608 10.405 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 130 9.047 9.377 0.653 1.00 0.00 H new ATOM 0 HG LEU A 130 7.678 9.413 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 130 9.031 7.459 -2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 130 10.023 8.922 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 130 10.011 7.669 -1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.932 7.170 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.776 7.360 0.188 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.407 8.423 -0.218 1.00 0.00 H new ATOM 1937 N LYS A 131 7.607 11.394 2.544 1.00 0.00 N ATOM 1938 CA LYS A 131 7.923 12.067 3.792 1.00 0.00 C ATOM 1939 C LYS A 131 9.058 11.321 4.496 1.00 0.00 C ATOM 1940 O LYS A 131 8.948 10.983 5.673 1.00 0.00 O ATOM 1941 CB LYS A 131 6.665 12.224 4.649 1.00 0.00 C ATOM 1942 CG LYS A 131 5.684 13.207 4.009 1.00 0.00 C ATOM 1943 CD LYS A 131 6.232 14.635 4.051 1.00 0.00 C ATOM 1944 CE LYS A 131 6.585 15.129 2.647 1.00 0.00 C ATOM 1945 NZ LYS A 131 6.831 16.588 2.658 1.00 0.00 N ATOM 0 H LYS A 131 6.953 10.616 2.633 1.00 0.00 H new ATOM 0 HA LYS A 131 8.278 13.079 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.183 11.254 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.940 12.575 5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.495 12.917 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.728 13.165 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.492 15.299 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.117 14.670 4.686 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.471 14.608 2.284 1.00 0.00 H new ATOM 0 HE3 LYS A 131 5.773 14.896 1.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.069 16.907 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.976 17.082 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.621 16.802 3.300 1.00 0.00 H new ATOM 1959 N THR A 132 10.124 11.086 3.745 1.00 0.00 N ATOM 1960 CA THR A 132 11.278 10.386 4.282 1.00 0.00 C ATOM 1961 C THR A 132 11.537 10.814 5.728 1.00 0.00 C ATOM 1962 O THR A 132 12.076 11.892 5.972 1.00 0.00 O ATOM 1963 CB THR A 132 12.464 10.645 3.350 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.627 12.060 3.381 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.137 10.339 1.887 1.00 0.00 C ATOM 0 H THR A 132 10.213 11.368 2.769 1.00 0.00 H new ATOM 0 HA THR A 132 11.105 9.311 4.321 1.00 0.00 H new ATOM 0 HB THR A 132 13.313 10.039 3.666 1.00 0.00 H new ATOM 0 HG1 THR A 132 12.604 12.372 4.310 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.012 10.540 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 132 11.856 9.290 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.310 10.969 1.560 1.00 0.00 H new ATOM 1973 N SER A 133 11.139 9.948 6.648 1.00 0.00 N ATOM 1974 CA SER A 133 11.321 10.223 8.063 1.00 0.00 C ATOM 1975 C SER A 133 12.659 9.653 8.539 1.00 0.00 C ATOM 1976 O SER A 133 12.937 8.470 8.350 1.00 0.00 O ATOM 1977 CB SER A 133 10.172 9.641 8.889 1.00 0.00 C ATOM 1978 OG SER A 133 10.230 8.219 8.956 1.00 0.00 O ATOM 0 H SER A 133 10.691 9.055 6.441 1.00 0.00 H new ATOM 0 HA SER A 133 11.323 11.304 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.205 10.053 9.898 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.221 9.945 8.452 1.00 0.00 H new ATOM 0 HG SER A 133 9.481 7.886 9.493 1.00 0.00 H new ATOM 1984 N GLY A 134 13.452 10.522 9.149 1.00 0.00 N ATOM 1985 CA GLY A 134 14.754 10.121 9.654 1.00 0.00 C ATOM 1986 C GLY A 134 14.970 10.631 11.080 1.00 0.00 C ATOM 1987 O GLY A 134 14.345 11.605 11.496 1.00 0.00 O ATOM 0 H GLY A 134 13.218 11.502 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 134 14.836 9.034 9.636 1.00 0.00 H new ATOM 0 HA3 GLY A 134 15.536 10.510 9.002 1.00 0.00 H new ATOM 1991 N PRO A 135 15.881 9.931 11.809 1.00 0.00 N ATOM 1992 CA PRO A 135 16.187 10.303 13.179 1.00 0.00 C ATOM 1993 C PRO A 135 17.063 11.556 13.225 1.00 0.00 C ATOM 1994 O PRO A 135 16.824 12.456 14.030 1.00 0.00 O ATOM 1995 CB PRO A 135 16.867 9.081 13.776 1.00 0.00 C ATOM 1996 CG PRO A 135 17.334 8.246 12.594 1.00 0.00 C ATOM 1997 CD PRO A 135 16.640 8.772 11.349 1.00 0.00 C ATOM 0 HA PRO A 135 15.298 10.567 13.751 1.00 0.00 H new ATOM 0 HB2 PRO A 135 17.708 9.371 14.406 1.00 0.00 H new ATOM 0 HB3 PRO A 135 16.177 8.518 14.404 1.00 0.00 H new ATOM 0 HG2 PRO A 135 18.416 8.312 12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 135 17.093 7.195 12.750 1.00 0.00 H new ATOM 0 HD2 PRO A 135 17.362 9.051 10.581 1.00 0.00 H new ATOM 0 HD3 PRO A 135 15.985 8.018 10.912 1.00 0.00 H new ATOM 2005 N SER A 136 18.058 11.576 12.351 1.00 0.00 N ATOM 2006 CA SER A 136 18.971 12.705 12.281 1.00 0.00 C ATOM 2007 C SER A 136 19.744 12.835 13.595 1.00 0.00 C ATOM 2008 O SER A 136 19.280 13.485 14.531 1.00 0.00 O ATOM 2009 CB SER A 136 18.220 14.002 11.977 1.00 0.00 C ATOM 2010 OG SER A 136 19.035 15.152 12.184 1.00 0.00 O ATOM 0 H SER A 136 18.253 10.828 11.685 1.00 0.00 H new ATOM 0 HA SER A 136 19.675 12.526 11.469 1.00 0.00 H new ATOM 0 HB2 SER A 136 17.872 13.986 10.944 1.00 0.00 H new ATOM 0 HB3 SER A 136 17.335 14.066 12.611 1.00 0.00 H new ATOM 0 HG SER A 136 18.520 15.960 11.978 1.00 0.00 H new ATOM 2016 N SER A 137 20.909 12.205 13.624 1.00 0.00 N ATOM 2017 CA SER A 137 21.751 12.242 14.808 1.00 0.00 C ATOM 2018 C SER A 137 21.778 13.658 15.387 1.00 0.00 C ATOM 2019 O SER A 137 21.452 14.621 14.695 1.00 0.00 O ATOM 2020 CB SER A 137 23.171 11.772 14.489 1.00 0.00 C ATOM 2021 OG SER A 137 23.211 10.391 14.140 1.00 0.00 O ATOM 0 H SER A 137 21.290 11.666 12.846 1.00 0.00 H new ATOM 0 HA SER A 137 21.330 11.562 15.548 1.00 0.00 H new ATOM 0 HB2 SER A 137 23.573 12.365 13.668 1.00 0.00 H new ATOM 0 HB3 SER A 137 23.813 11.946 15.352 1.00 0.00 H new ATOM 0 HG SER A 137 24.135 10.130 13.942 1.00 0.00 H new ATOM 2027 N GLY A 138 22.169 13.739 16.650 1.00 0.00 N ATOM 2028 CA GLY A 138 22.243 15.021 17.330 1.00 0.00 C ATOM 2029 C GLY A 138 21.588 14.948 18.711 1.00 0.00 C ATOM 2030 O GLY A 138 22.005 15.642 19.637 1.00 0.00 O ATOM 0 H GLY A 138 22.438 12.937 17.221 1.00 0.00 H new ATOM 0 HA2 GLY A 138 23.285 15.322 17.434 1.00 0.00 H new ATOM 0 HA3 GLY A 138 21.749 15.784 16.729 1.00 0.00 H new TER 2034 GLY A 138