USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 859 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 75 TYR OH : rot 100:sc= -6.26! USER MOD Set 1.2: A 84 HIS : no HD1:sc= -5.67! C(o=-12!,f=-13!) USER MOD Set 2.1: A 43 CYS SG : rot -26:sc= -1.31! USER MOD Set 2.2: A 60 ASN : amide:sc= 0.569 K(o=-0.027,f=-3.7) USER MOD Set 2.3: A 62 THR OG1 : rot 123:sc= 0.716 USER MOD Set 3.1: A 47 SER OG : rot 180:sc= -0.26 USER MOD Set 3.2: A 56 HIS : no HE2:sc= -0.603 K(o=-0.86,f=-1.9) USER MOD Single : A 1 GLU N :NH3+ -137:sc= 0.0649 (180deg=-0.324) USER MOD Single : A 5 HIS : no HD1:sc=-0.00898 X(o=-0.009,f=-0.083) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 55:sc= -7.41! USER MOD Single : A 12 ASN : amide:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0441 K(o=-0.044,f=-0.89) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.215 K(o=0.21,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 155:sc= -1.77! (180deg=-2.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -26:sc= 1.13 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.0804 X(o=-0.08,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 173:sc= -7.82! USER MOD Single : A 55 LYS NZ :NH3+ -143:sc= -2.01! (180deg=-3.96!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0812 (180deg=-0.559) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -77:sc= 0.216 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN :FLIP amide:sc= -3.69! C(o=-6!,f=-3.7!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 160:sc= -0.0302 (180deg=-0.452) USER MOD Single : A 85 TYR OH : rot -122:sc= 1.16 USER MOD Single : A 86 GLN : amide:sc= -1.77 K(o=-1.8,f=-8.3!) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 88 THR OG1 : rot -82:sc= -0.547 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.119 F(o=-2.6!,f=-0.12) USER MOD Single : A 96 SER OG : rot 71:sc= 0.0289 USER MOD Single : A 98 ASN : amide:sc= -0.267 X(o=-0.27,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 96.663 0.106 -18.486 1.00 0.00 N ATOM 2 CA GLU A 1 96.005 -1.229 -18.581 1.00 0.00 C ATOM 3 C GLU A 1 94.611 -1.158 -17.952 1.00 0.00 C ATOM 4 O GLU A 1 94.112 -0.095 -17.637 1.00 0.00 O ATOM 5 CB GLU A 1 96.844 -2.267 -17.830 1.00 0.00 C ATOM 6 CG GLU A 1 98.208 -2.414 -18.511 1.00 0.00 C ATOM 7 CD GLU A 1 98.017 -2.808 -19.976 1.00 0.00 C ATOM 8 OE1 GLU A 1 97.310 -3.770 -20.225 1.00 0.00 O ATOM 9 OE2 GLU A 1 98.583 -2.141 -20.827 1.00 0.00 O ATOM 0 H1 GLU A 1 97.138 0.324 -19.385 1.00 0.00 H new ATOM 0 H2 GLU A 1 95.946 0.833 -18.288 1.00 0.00 H new ATOM 0 H3 GLU A 1 97.365 0.093 -17.718 1.00 0.00 H new ATOM 0 HA GLU A 1 95.920 -1.515 -19.629 1.00 0.00 H new ATOM 0 HB2 GLU A 1 96.975 -1.961 -16.792 1.00 0.00 H new ATOM 0 HB3 GLU A 1 96.327 -3.227 -17.817 1.00 0.00 H new ATOM 0 HG2 GLU A 1 98.760 -1.476 -18.446 1.00 0.00 H new ATOM 0 HG3 GLU A 1 98.802 -3.169 -17.996 1.00 0.00 H new ATOM 18 N ASP A 2 93.977 -2.283 -17.763 1.00 0.00 N ATOM 19 CA ASP A 2 92.620 -2.280 -17.151 1.00 0.00 C ATOM 20 C ASP A 2 92.755 -2.191 -15.629 1.00 0.00 C ATOM 21 O ASP A 2 93.395 -3.013 -15.003 1.00 0.00 O ATOM 22 CB ASP A 2 91.889 -3.569 -17.529 1.00 0.00 C ATOM 23 CG ASP A 2 90.463 -3.516 -16.982 1.00 0.00 C ATOM 24 OD1 ASP A 2 90.119 -2.515 -16.376 1.00 0.00 O ATOM 25 OD2 ASP A 2 89.738 -4.476 -17.179 1.00 0.00 O ATOM 0 H ASP A 2 94.341 -3.204 -18.006 1.00 0.00 H new ATOM 0 HA ASP A 2 92.052 -1.424 -17.517 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.872 -3.687 -18.612 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.415 -4.433 -17.123 1.00 0.00 H new ATOM 30 N LEU A 3 92.163 -1.193 -15.030 1.00 0.00 N ATOM 31 CA LEU A 3 92.265 -1.041 -13.549 1.00 0.00 C ATOM 32 C LEU A 3 91.054 -1.693 -12.866 1.00 0.00 C ATOM 33 O LEU A 3 89.925 -1.391 -13.196 1.00 0.00 O ATOM 34 CB LEU A 3 92.283 0.448 -13.197 1.00 0.00 C ATOM 35 CG LEU A 3 93.549 1.101 -13.757 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.505 2.600 -13.467 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.787 0.494 -13.090 1.00 0.00 C ATOM 0 H LEU A 3 91.613 -0.476 -15.502 1.00 0.00 H new ATOM 0 HA LEU A 3 93.180 -1.524 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.399 0.938 -13.606 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.246 0.575 -12.115 1.00 0.00 H new ATOM 0 HG LEU A 3 93.601 0.929 -14.832 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.403 3.074 -13.863 1.00 0.00 H new ATOM 0 HD12 LEU A 3 92.626 3.037 -13.941 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.454 2.761 -12.390 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.684 0.963 -13.493 1.00 0.00 H new ATOM 0 HD22 LEU A 3 94.741 0.664 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.818 -0.578 -13.287 1.00 0.00 H new ATOM 49 N PRO A 4 91.277 -2.563 -11.905 1.00 0.00 N ATOM 50 CA PRO A 4 90.165 -3.229 -11.168 1.00 0.00 C ATOM 51 C PRO A 4 89.155 -2.213 -10.638 1.00 0.00 C ATOM 52 O PRO A 4 88.041 -2.547 -10.282 1.00 0.00 O ATOM 53 CB PRO A 4 90.854 -3.935 -9.999 1.00 0.00 C ATOM 54 CG PRO A 4 92.281 -4.102 -10.400 1.00 0.00 C ATOM 55 CD PRO A 4 92.598 -3.004 -11.418 1.00 0.00 C ATOM 0 HA PRO A 4 89.606 -3.908 -11.812 1.00 0.00 H new ATOM 0 HB2 PRO A 4 90.772 -3.346 -9.085 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.390 -4.901 -9.799 1.00 0.00 H new ATOM 0 HG2 PRO A 4 92.936 -4.023 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.445 -5.088 -10.834 1.00 0.00 H new ATOM 0 HD2 PRO A 4 93.147 -2.182 -10.958 1.00 0.00 H new ATOM 0 HD3 PRO A 4 93.215 -3.383 -12.232 1.00 0.00 H new ATOM 63 N HIS A 5 89.549 -0.976 -10.567 1.00 0.00 N ATOM 64 CA HIS A 5 88.638 0.074 -10.044 1.00 0.00 C ATOM 65 C HIS A 5 87.409 0.215 -10.950 1.00 0.00 C ATOM 66 O HIS A 5 86.374 0.691 -10.527 1.00 0.00 O ATOM 67 CB HIS A 5 89.386 1.408 -10.001 1.00 0.00 C ATOM 68 CG HIS A 5 90.564 1.294 -9.075 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.427 0.932 -7.742 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.909 1.484 -9.274 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.657 0.915 -7.198 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.597 1.244 -8.088 1.00 0.00 N ATOM 0 H HIS A 5 90.471 -0.645 -10.851 1.00 0.00 H new ATOM 0 HA HIS A 5 88.309 -0.207 -9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.722 1.681 -11.001 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.719 2.200 -9.662 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.364 1.775 -10.209 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.860 0.666 -6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.603 1.306 -7.932 1.00 0.00 H new ATOM 80 N HIS A 6 87.507 -0.177 -12.194 1.00 0.00 N ATOM 81 CA HIS A 6 86.328 -0.033 -13.100 1.00 0.00 C ATOM 82 C HIS A 6 85.200 -0.955 -12.626 1.00 0.00 C ATOM 83 O HIS A 6 84.039 -0.603 -12.674 1.00 0.00 O ATOM 84 CB HIS A 6 86.724 -0.386 -14.540 1.00 0.00 C ATOM 85 CG HIS A 6 87.695 0.646 -15.055 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.341 1.979 -15.210 1.00 0.00 N ATOM 87 CD2 HIS A 6 89.016 0.565 -15.433 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.426 2.640 -15.655 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.473 1.825 -15.809 1.00 0.00 N ATOM 0 H HIS A 6 88.340 -0.585 -12.618 1.00 0.00 H new ATOM 0 HA HIS A 6 85.982 1.000 -13.075 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.177 -1.377 -14.573 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.839 -0.419 -15.175 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.608 -0.338 -15.437 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.447 3.700 -15.862 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.408 2.073 -16.133 1.00 0.00 H new ATOM 97 N ASP A 7 85.531 -2.130 -12.163 1.00 0.00 N ATOM 98 CA ASP A 7 84.478 -3.066 -11.685 1.00 0.00 C ATOM 99 C ASP A 7 84.339 -2.947 -10.169 1.00 0.00 C ATOM 100 O ASP A 7 85.300 -3.055 -9.435 1.00 0.00 O ATOM 101 CB ASP A 7 84.863 -4.502 -12.052 1.00 0.00 C ATOM 102 CG ASP A 7 84.859 -4.651 -13.573 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.121 -3.924 -14.217 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.594 -5.489 -14.070 1.00 0.00 O ATOM 0 H ASP A 7 86.486 -2.481 -12.096 1.00 0.00 H new ATOM 0 HA ASP A 7 83.529 -2.814 -12.157 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.850 -4.740 -11.654 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.161 -5.205 -11.604 1.00 0.00 H new ATOM 109 N GLU A 8 83.144 -2.728 -9.696 1.00 0.00 N ATOM 110 CA GLU A 8 82.935 -2.611 -8.227 1.00 0.00 C ATOM 111 C GLU A 8 83.105 -3.984 -7.585 1.00 0.00 C ATOM 112 O GLU A 8 83.477 -4.105 -6.436 1.00 0.00 O ATOM 113 CB GLU A 8 81.525 -2.099 -7.942 1.00 0.00 C ATOM 114 CG GLU A 8 81.386 -0.662 -8.433 1.00 0.00 C ATOM 115 CD GLU A 8 80.931 -0.673 -9.891 1.00 0.00 C ATOM 116 OE1 GLU A 8 81.100 -1.697 -10.534 1.00 0.00 O ATOM 117 OE2 GLU A 8 80.420 0.342 -10.339 1.00 0.00 O ATOM 0 H GLU A 8 82.303 -2.625 -10.264 1.00 0.00 H new ATOM 0 HA GLU A 8 83.664 -1.913 -7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.791 -2.734 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 8 81.320 -2.149 -6.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.665 -0.123 -7.818 1.00 0.00 H new ATOM 0 HG3 GLU A 8 82.338 -0.139 -8.340 1.00 0.00 H new ATOM 124 N LYS A 9 82.822 -5.022 -8.324 1.00 0.00 N ATOM 125 CA LYS A 9 82.950 -6.397 -7.766 1.00 0.00 C ATOM 126 C LYS A 9 84.389 -6.632 -7.301 1.00 0.00 C ATOM 127 O LYS A 9 84.651 -7.476 -6.466 1.00 0.00 O ATOM 128 CB LYS A 9 82.585 -7.411 -8.850 1.00 0.00 C ATOM 129 CG LYS A 9 83.668 -7.395 -9.935 1.00 0.00 C ATOM 130 CD LYS A 9 84.465 -8.703 -9.909 1.00 0.00 C ATOM 131 CE LYS A 9 85.923 -8.414 -10.264 1.00 0.00 C ATOM 132 NZ LYS A 9 86.608 -9.682 -10.647 1.00 0.00 N ATOM 0 H LYS A 9 82.507 -4.976 -9.293 1.00 0.00 H new ATOM 0 HA LYS A 9 82.279 -6.513 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.499 -8.408 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.615 -7.166 -9.283 1.00 0.00 H new ATOM 0 HG2 LYS A 9 83.209 -7.260 -10.915 1.00 0.00 H new ATOM 0 HG3 LYS A 9 84.338 -6.550 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.403 -9.160 -8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 9 84.041 -9.415 -10.617 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.972 -7.700 -11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 9 86.431 -7.957 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 87.600 -9.482 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 86.573 -10.350 -9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 86.129 -10.100 -11.470 1.00 0.00 H new ATOM 146 N THR A 10 85.321 -5.890 -7.829 1.00 0.00 N ATOM 147 CA THR A 10 86.745 -6.060 -7.414 1.00 0.00 C ATOM 148 C THR A 10 86.921 -5.653 -5.945 1.00 0.00 C ATOM 149 O THR A 10 87.761 -6.184 -5.247 1.00 0.00 O ATOM 150 CB THR A 10 87.642 -5.186 -8.302 1.00 0.00 C ATOM 151 OG1 THR A 10 87.084 -3.885 -8.397 1.00 0.00 O ATOM 152 CG2 THR A 10 87.758 -5.794 -9.701 1.00 0.00 C ATOM 0 H THR A 10 85.159 -5.170 -8.533 1.00 0.00 H new ATOM 0 HA THR A 10 87.026 -7.107 -7.525 1.00 0.00 H new ATOM 0 HB THR A 10 88.636 -5.131 -7.858 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.950 -3.520 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 10 88.397 -5.164 -10.320 1.00 0.00 H new ATOM 0 HG22 THR A 10 88.192 -6.791 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.768 -5.861 -10.152 1.00 0.00 H new ATOM 160 N TRP A 11 86.155 -4.708 -5.469 1.00 0.00 N ATOM 161 CA TRP A 11 86.308 -4.277 -4.048 1.00 0.00 C ATOM 162 C TRP A 11 84.956 -4.268 -3.340 1.00 0.00 C ATOM 163 O TRP A 11 84.868 -4.489 -2.147 1.00 0.00 O ATOM 164 CB TRP A 11 86.884 -2.864 -4.016 1.00 0.00 C ATOM 165 CG TRP A 11 86.654 -2.210 -5.339 1.00 0.00 C ATOM 166 CD1 TRP A 11 87.345 -2.477 -6.467 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.680 -1.189 -5.689 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.854 -1.689 -7.494 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.829 -0.869 -7.059 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.693 -0.518 -4.954 1.00 0.00 C ATOM 171 CZ2 TRP A 11 85.024 0.090 -7.675 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.881 0.446 -5.567 1.00 0.00 C ATOM 173 CH2 TRP A 11 84.047 0.750 -6.925 1.00 0.00 C ATOM 0 H TRP A 11 85.434 -4.218 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 11 86.972 -4.976 -3.540 1.00 0.00 H new ATOM 0 HB2 TRP A 11 86.412 -2.284 -3.223 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.951 -2.898 -3.794 1.00 0.00 H new ATOM 0 HD1 TRP A 11 88.151 -3.190 -6.554 1.00 0.00 H new ATOM 0 HE1 TRP A 11 87.204 -1.711 -8.452 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.557 -0.746 -3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 85.155 0.320 -8.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 83.124 0.957 -4.990 1.00 0.00 H new ATOM 0 HH2 TRP A 11 83.420 1.495 -7.392 1.00 0.00 H new ATOM 184 N ASN A 12 83.905 -3.987 -4.052 1.00 0.00 N ATOM 185 CA ASN A 12 82.572 -3.933 -3.401 1.00 0.00 C ATOM 186 C ASN A 12 82.010 -5.339 -3.222 1.00 0.00 C ATOM 187 O ASN A 12 82.237 -6.225 -4.020 1.00 0.00 O ATOM 188 CB ASN A 12 81.627 -3.089 -4.253 1.00 0.00 C ATOM 189 CG ASN A 12 80.968 -3.958 -5.321 1.00 0.00 C ATOM 190 OD1 ASN A 12 81.440 -5.027 -5.629 1.00 0.00 O ATOM 191 ND2 ASN A 12 79.889 -3.529 -5.905 1.00 0.00 N ATOM 0 H ASN A 12 83.911 -3.793 -5.053 1.00 0.00 H new ATOM 0 HA ASN A 12 82.672 -3.478 -2.416 1.00 0.00 H new ATOM 0 HB2 ASN A 12 80.864 -2.634 -3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 12 82.178 -2.275 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 12 79.439 -4.095 -6.625 1.00 0.00 H new ATOM 0 HD22 ASN A 12 79.492 -2.626 -5.644 1.00 0.00 H new ATOM 198 N VAL A 13 81.281 -5.544 -2.168 1.00 0.00 N ATOM 199 CA VAL A 13 80.694 -6.883 -1.911 1.00 0.00 C ATOM 200 C VAL A 13 79.185 -6.737 -1.725 1.00 0.00 C ATOM 201 O VAL A 13 78.468 -7.707 -1.569 1.00 0.00 O ATOM 202 CB VAL A 13 81.312 -7.456 -0.640 1.00 0.00 C ATOM 203 CG1 VAL A 13 82.823 -7.595 -0.827 1.00 0.00 C ATOM 204 CG2 VAL A 13 81.034 -6.504 0.523 1.00 0.00 C ATOM 0 H VAL A 13 81.064 -4.836 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 13 80.895 -7.550 -2.750 1.00 0.00 H new ATOM 0 HB VAL A 13 80.880 -8.434 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 13 83.266 -8.004 0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 13 83.026 -8.264 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 13 83.256 -6.616 -1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 13 81.473 -6.907 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 13 81.473 -5.530 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 79.957 -6.396 0.655 1.00 0.00 H new ATOM 214 N GLY A 14 78.701 -5.525 -1.738 1.00 0.00 N ATOM 215 CA GLY A 14 77.239 -5.297 -1.560 1.00 0.00 C ATOM 216 C GLY A 14 76.833 -5.718 -0.151 1.00 0.00 C ATOM 217 O GLY A 14 77.455 -5.341 0.825 1.00 0.00 O ATOM 0 H GLY A 14 79.258 -4.680 -1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 14 77.001 -4.246 -1.721 1.00 0.00 H new ATOM 0 HA3 GLY A 14 76.677 -5.868 -2.299 1.00 0.00 H new ATOM 221 N SER A 15 75.801 -6.505 -0.032 1.00 0.00 N ATOM 222 CA SER A 15 75.375 -6.954 1.317 1.00 0.00 C ATOM 223 C SER A 15 76.448 -7.884 1.884 1.00 0.00 C ATOM 224 O SER A 15 76.987 -8.723 1.191 1.00 0.00 O ATOM 225 CB SER A 15 74.034 -7.687 1.222 1.00 0.00 C ATOM 226 OG SER A 15 73.002 -6.743 0.959 1.00 0.00 O ATOM 0 H SER A 15 75.238 -6.854 -0.808 1.00 0.00 H new ATOM 0 HA SER A 15 75.251 -6.094 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 15 74.070 -8.435 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 15 73.829 -8.218 2.152 1.00 0.00 H new ATOM 0 HG SER A 15 72.142 -7.208 0.896 1.00 0.00 H new ATOM 232 N SER A 16 76.767 -7.730 3.138 1.00 0.00 N ATOM 233 CA SER A 16 77.812 -8.586 3.766 1.00 0.00 C ATOM 234 C SER A 16 77.694 -8.479 5.285 1.00 0.00 C ATOM 235 O SER A 16 77.053 -7.588 5.805 1.00 0.00 O ATOM 236 CB SER A 16 79.201 -8.098 3.343 1.00 0.00 C ATOM 237 OG SER A 16 79.373 -6.749 3.765 1.00 0.00 O ATOM 0 H SER A 16 76.345 -7.041 3.761 1.00 0.00 H new ATOM 0 HA SER A 16 77.675 -9.619 3.448 1.00 0.00 H new ATOM 0 HB2 SER A 16 79.971 -8.730 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 16 79.311 -8.170 2.261 1.00 0.00 H new ATOM 0 HG SER A 16 80.261 -6.433 3.498 1.00 0.00 H new ATOM 243 N ASN A 17 78.314 -9.371 6.000 1.00 0.00 N ATOM 244 CA ASN A 17 78.249 -9.304 7.485 1.00 0.00 C ATOM 245 C ASN A 17 79.600 -8.814 8.010 1.00 0.00 C ATOM 246 O ASN A 17 80.638 -9.176 7.493 1.00 0.00 O ATOM 247 CB ASN A 17 77.945 -10.691 8.043 1.00 0.00 C ATOM 248 CG ASN A 17 76.492 -11.047 7.731 1.00 0.00 C ATOM 249 OD1 ASN A 17 75.580 -10.491 8.312 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.235 -11.949 6.826 1.00 0.00 N ATOM 0 H ASN A 17 78.863 -10.143 5.622 1.00 0.00 H new ATOM 0 HA ASN A 17 77.462 -8.618 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.616 -11.429 7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.114 -10.709 9.120 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.269 -12.189 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 17 77.000 -12.415 6.339 1.00 0.00 H new ATOM 257 N ARG A 18 79.610 -7.987 9.018 1.00 0.00 N ATOM 258 CA ARG A 18 80.918 -7.491 9.537 1.00 0.00 C ATOM 259 C ARG A 18 81.754 -8.671 10.037 1.00 0.00 C ATOM 260 O ARG A 18 82.959 -8.690 9.893 1.00 0.00 O ATOM 261 CB ARG A 18 80.699 -6.508 10.693 1.00 0.00 C ATOM 262 CG ARG A 18 80.058 -5.215 10.177 1.00 0.00 C ATOM 263 CD ARG A 18 80.321 -4.081 11.175 1.00 0.00 C ATOM 264 NE ARG A 18 80.114 -4.576 12.575 1.00 0.00 N ATOM 265 CZ ARG A 18 79.018 -5.196 12.923 1.00 0.00 C ATOM 266 NH1 ARG A 18 77.987 -5.225 12.120 1.00 0.00 N ATOM 267 NH2 ARG A 18 78.931 -5.736 14.110 1.00 0.00 N ATOM 0 H ARG A 18 78.782 -7.636 9.500 1.00 0.00 H new ATOM 0 HA ARG A 18 81.440 -6.980 8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 18 80.059 -6.962 11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.651 -6.283 11.174 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.469 -4.957 9.201 1.00 0.00 H new ATOM 0 HG3 ARG A 18 78.985 -5.356 10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 18 81.339 -3.710 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.652 -3.244 10.973 1.00 0.00 H new ATOM 0 HE ARG A 18 80.845 -4.425 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 18 78.034 -4.761 11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 18 77.136 -5.712 12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 18 79.716 -5.672 14.758 1.00 0.00 H new ATOM 0 HH22 ARG A 18 78.078 -6.222 14.388 1.00 0.00 H new ATOM 281 N ASN A 19 81.133 -9.648 10.633 1.00 0.00 N ATOM 282 CA ASN A 19 81.913 -10.807 11.146 1.00 0.00 C ATOM 283 C ASN A 19 82.656 -11.496 9.994 1.00 0.00 C ATOM 284 O ASN A 19 83.847 -11.742 10.071 1.00 0.00 O ATOM 285 CB ASN A 19 80.960 -11.800 11.816 1.00 0.00 C ATOM 286 CG ASN A 19 80.505 -11.243 13.168 1.00 0.00 C ATOM 287 OD1 ASN A 19 81.296 -10.688 13.906 1.00 0.00 O ATOM 288 ND2 ASN A 19 79.256 -11.361 13.524 1.00 0.00 N ATOM 0 H ASN A 19 80.126 -9.695 10.787 1.00 0.00 H new ATOM 0 HA ASN A 19 82.645 -10.455 11.873 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.096 -11.979 11.176 1.00 0.00 H new ATOM 0 HB3 ASN A 19 81.458 -12.760 11.956 1.00 0.00 H new ATOM 0 HD21 ASN A 19 78.944 -10.988 14.421 1.00 0.00 H new ATOM 0 HD22 ASN A 19 78.591 -11.826 12.906 1.00 0.00 H new ATOM 295 N LYS A 20 81.982 -11.795 8.918 1.00 0.00 N ATOM 296 CA LYS A 20 82.679 -12.454 7.781 1.00 0.00 C ATOM 297 C LYS A 20 83.665 -11.457 7.170 1.00 0.00 C ATOM 298 O LYS A 20 84.675 -11.832 6.606 1.00 0.00 O ATOM 299 CB LYS A 20 81.664 -12.915 6.739 1.00 0.00 C ATOM 300 CG LYS A 20 81.381 -11.791 5.750 1.00 0.00 C ATOM 301 CD LYS A 20 80.302 -12.251 4.778 1.00 0.00 C ATOM 302 CE LYS A 20 80.703 -11.877 3.356 1.00 0.00 C ATOM 303 NZ LYS A 20 79.551 -12.142 2.457 1.00 0.00 N ATOM 0 H LYS A 20 80.988 -11.613 8.778 1.00 0.00 H new ATOM 0 HA LYS A 20 83.221 -13.332 8.133 1.00 0.00 H new ATOM 0 HB2 LYS A 20 82.046 -13.788 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 20 80.740 -13.219 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 20 81.055 -10.896 6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.289 -11.528 5.208 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.164 -13.329 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 20 79.348 -11.788 5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 20 80.988 -10.826 3.307 1.00 0.00 H new ATOM 0 HE3 LYS A 20 81.570 -12.458 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 79.808 -11.892 1.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 79.301 -13.150 2.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 78.737 -11.570 2.758 1.00 0.00 H new ATOM 317 N ALA A 21 83.390 -10.183 7.290 1.00 0.00 N ATOM 318 CA ALA A 21 84.331 -9.174 6.736 1.00 0.00 C ATOM 319 C ALA A 21 85.664 -9.344 7.459 1.00 0.00 C ATOM 320 O ALA A 21 86.724 -9.167 6.890 1.00 0.00 O ATOM 321 CB ALA A 21 83.787 -7.763 6.973 1.00 0.00 C ATOM 0 H ALA A 21 82.560 -9.804 7.745 1.00 0.00 H new ATOM 0 HA ALA A 21 84.454 -9.315 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.483 -7.031 6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 21 82.820 -7.659 6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 21 83.670 -7.593 8.043 1.00 0.00 H new ATOM 327 N GLU A 22 85.614 -9.716 8.715 1.00 0.00 N ATOM 328 CA GLU A 22 86.874 -9.934 9.475 1.00 0.00 C ATOM 329 C GLU A 22 87.649 -11.046 8.780 1.00 0.00 C ATOM 330 O GLU A 22 88.822 -10.924 8.517 1.00 0.00 O ATOM 331 CB GLU A 22 86.555 -10.355 10.912 1.00 0.00 C ATOM 332 CG GLU A 22 85.997 -9.158 11.683 1.00 0.00 C ATOM 333 CD GLU A 22 85.599 -9.603 13.091 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.641 -10.794 13.349 1.00 0.00 O ATOM 335 OE2 GLU A 22 85.259 -8.745 13.886 1.00 0.00 O ATOM 0 H GLU A 22 84.755 -9.877 9.241 1.00 0.00 H new ATOM 0 HA GLU A 22 87.459 -9.015 9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.831 -11.170 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.455 -10.728 11.401 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.744 -8.366 11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.133 -8.746 11.162 1.00 0.00 H new ATOM 342 N ASN A 23 86.988 -12.125 8.460 1.00 0.00 N ATOM 343 CA ASN A 23 87.683 -13.243 7.759 1.00 0.00 C ATOM 344 C ASN A 23 88.231 -12.717 6.430 1.00 0.00 C ATOM 345 O ASN A 23 89.366 -12.971 6.073 1.00 0.00 O ATOM 346 CB ASN A 23 86.689 -14.376 7.482 1.00 0.00 C ATOM 347 CG ASN A 23 86.355 -15.114 8.783 1.00 0.00 C ATOM 348 OD1 ASN A 23 87.090 -15.034 9.746 1.00 0.00 O ATOM 349 ND2 ASN A 23 85.268 -15.833 8.853 1.00 0.00 N ATOM 0 H ASN A 23 85.999 -12.281 8.653 1.00 0.00 H new ATOM 0 HA ASN A 23 88.494 -13.623 8.380 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.778 -13.971 7.040 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.112 -15.072 6.758 1.00 0.00 H new ATOM 0 HD21 ASN A 23 85.037 -16.326 9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 23 84.649 -15.902 8.045 1.00 0.00 H new ATOM 356 N LEU A 24 87.451 -11.959 5.704 1.00 0.00 N ATOM 357 CA LEU A 24 87.959 -11.397 4.423 1.00 0.00 C ATOM 358 C LEU A 24 89.029 -10.354 4.750 1.00 0.00 C ATOM 359 O LEU A 24 89.905 -10.073 3.961 1.00 0.00 O ATOM 360 CB LEU A 24 86.816 -10.736 3.651 1.00 0.00 C ATOM 361 CG LEU A 24 85.885 -11.802 3.066 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.581 -11.133 2.634 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.545 -12.453 1.844 1.00 0.00 C ATOM 0 H LEU A 24 86.492 -11.708 5.942 1.00 0.00 H new ATOM 0 HA LEU A 24 88.379 -12.192 3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.255 -10.076 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.219 -10.116 2.850 1.00 0.00 H new ATOM 0 HG LEU A 24 85.686 -12.566 3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 83.909 -11.882 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.109 -10.664 3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 24 84.793 -10.375 1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 24 85.879 -13.211 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 24 86.742 -11.692 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.484 -12.919 2.143 1.00 0.00 H new ATOM 375 N LEU A 25 88.959 -9.780 5.920 1.00 0.00 N ATOM 376 CA LEU A 25 89.968 -8.757 6.320 1.00 0.00 C ATOM 377 C LEU A 25 91.065 -9.426 7.152 1.00 0.00 C ATOM 378 O LEU A 25 92.082 -8.833 7.454 1.00 0.00 O ATOM 379 CB LEU A 25 89.284 -7.683 7.170 1.00 0.00 C ATOM 380 CG LEU A 25 88.292 -6.902 6.310 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.304 -6.159 7.215 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.061 -5.891 5.461 1.00 0.00 C ATOM 0 H LEU A 25 88.243 -9.976 6.620 1.00 0.00 H new ATOM 0 HA LEU A 25 90.404 -8.305 5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 25 88.766 -8.145 8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.030 -7.006 7.588 1.00 0.00 H new ATOM 0 HG LEU A 25 87.744 -7.588 5.664 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.596 -5.602 6.601 1.00 0.00 H new ATOM 0 HD12 LEU A 25 86.763 -6.878 7.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 87.849 -5.468 7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.362 -5.328 4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.602 -5.205 6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 25 89.769 -6.417 4.820 1.00 0.00 H new ATOM 394 N ARG A 26 90.854 -10.652 7.537 1.00 0.00 N ATOM 395 CA ARG A 26 91.863 -11.367 8.364 1.00 0.00 C ATOM 396 C ARG A 26 92.580 -12.435 7.534 1.00 0.00 C ATOM 397 O ARG A 26 91.959 -13.238 6.864 1.00 0.00 O ATOM 398 CB ARG A 26 91.158 -12.028 9.550 1.00 0.00 C ATOM 399 CG ARG A 26 90.853 -10.981 10.621 1.00 0.00 C ATOM 400 CD ARG A 26 90.476 -11.705 11.911 1.00 0.00 C ATOM 401 NE ARG A 26 89.226 -12.485 11.688 1.00 0.00 N ATOM 402 CZ ARG A 26 88.896 -13.444 12.512 1.00 0.00 C ATOM 403 NH1 ARG A 26 89.650 -13.707 13.543 1.00 0.00 N ATOM 404 NH2 ARG A 26 87.817 -14.148 12.296 1.00 0.00 N ATOM 0 H ARG A 26 90.019 -11.194 7.312 1.00 0.00 H new ATOM 0 HA ARG A 26 92.603 -10.651 8.720 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.234 -12.501 9.218 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.787 -12.815 9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 26 91.721 -10.342 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 26 90.038 -10.334 10.297 1.00 0.00 H new ATOM 0 HD2 ARG A 26 91.283 -12.369 12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 26 90.331 -10.986 12.717 1.00 0.00 H new ATOM 0 HE ARG A 26 88.627 -12.270 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 26 90.498 -13.164 13.707 1.00 0.00 H new ATOM 0 HH12 ARG A 26 89.392 -14.456 14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 26 87.232 -13.949 11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 26 87.559 -14.897 12.939 1.00 0.00 H new ATOM 418 N GLY A 27 93.888 -12.458 7.590 1.00 0.00 N ATOM 419 CA GLY A 27 94.659 -13.482 6.822 1.00 0.00 C ATOM 420 C GLY A 27 95.295 -12.841 5.592 1.00 0.00 C ATOM 421 O GLY A 27 96.025 -13.477 4.858 1.00 0.00 O ATOM 0 H GLY A 27 94.456 -11.810 8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.431 -13.918 7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 27 93.999 -14.295 6.519 1.00 0.00 H new ATOM 425 N LYS A 28 95.022 -11.593 5.348 1.00 0.00 N ATOM 426 CA LYS A 28 95.609 -10.937 4.155 1.00 0.00 C ATOM 427 C LYS A 28 96.413 -9.697 4.553 1.00 0.00 C ATOM 428 O LYS A 28 96.194 -9.092 5.583 1.00 0.00 O ATOM 429 CB LYS A 28 94.487 -10.560 3.195 1.00 0.00 C ATOM 430 CG LYS A 28 93.476 -9.671 3.913 1.00 0.00 C ATOM 431 CD LYS A 28 92.371 -9.280 2.934 1.00 0.00 C ATOM 432 CE LYS A 28 91.782 -10.543 2.305 1.00 0.00 C ATOM 433 NZ LYS A 28 90.415 -10.256 1.793 1.00 0.00 N ATOM 0 H LYS A 28 94.420 -11.002 5.921 1.00 0.00 H new ATOM 0 HA LYS A 28 96.293 -11.630 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 28 94.895 -10.038 2.330 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.996 -11.459 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.052 -10.198 4.768 1.00 0.00 H new ATOM 0 HG3 LYS A 28 93.968 -8.779 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 28 91.592 -8.721 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 28 92.771 -8.626 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 92.421 -10.888 1.492 1.00 0.00 H new ATOM 0 HE3 LYS A 28 91.744 -11.345 3.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 90.184 -10.922 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 89.726 -10.363 2.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 90.378 -9.283 1.428 1.00 0.00 H new ATOM 447 N ARG A 29 97.357 -9.341 3.731 1.00 0.00 N ATOM 448 CA ARG A 29 98.236 -8.161 4.005 1.00 0.00 C ATOM 449 C ARG A 29 97.475 -6.848 3.778 1.00 0.00 C ATOM 450 O ARG A 29 96.472 -6.805 3.093 1.00 0.00 O ATOM 451 CB ARG A 29 99.441 -8.212 3.058 1.00 0.00 C ATOM 452 CG ARG A 29 100.530 -7.256 3.552 1.00 0.00 C ATOM 453 CD ARG A 29 101.519 -6.975 2.418 1.00 0.00 C ATOM 454 NE ARG A 29 102.270 -8.223 2.100 1.00 0.00 N ATOM 455 CZ ARG A 29 102.961 -8.312 0.995 1.00 0.00 C ATOM 456 NH1 ARG A 29 102.973 -7.322 0.142 1.00 0.00 N ATOM 457 NH2 ARG A 29 103.636 -9.396 0.740 1.00 0.00 N ATOM 0 H ARG A 29 97.565 -9.827 2.859 1.00 0.00 H new ATOM 0 HA ARG A 29 98.562 -8.198 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 29 99.832 -9.228 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.134 -7.938 2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 29 100.081 -6.324 3.896 1.00 0.00 H new ATOM 0 HG3 ARG A 29 101.052 -7.692 4.404 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.987 -6.622 1.535 1.00 0.00 H new ATOM 0 HD3 ARG A 29 102.211 -6.185 2.710 1.00 0.00 H new ATOM 0 HE ARG A 29 102.244 -9.010 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 29 102.441 -6.474 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 29 103.514 -7.397 -0.719 1.00 0.00 H new ATOM 0 HH21 ARG A 29 103.624 -10.172 1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 29 104.177 -9.469 -0.122 1.00 0.00 H new ATOM 471 N ASP A 30 97.963 -5.774 4.350 1.00 0.00 N ATOM 472 CA ASP A 30 97.303 -4.447 4.184 1.00 0.00 C ATOM 473 C ASP A 30 97.245 -4.071 2.708 1.00 0.00 C ATOM 474 O ASP A 30 97.892 -4.671 1.869 1.00 0.00 O ATOM 475 CB ASP A 30 98.106 -3.377 4.920 1.00 0.00 C ATOM 476 CG ASP A 30 99.493 -3.257 4.286 1.00 0.00 C ATOM 477 OD1 ASP A 30 100.292 -4.158 4.483 1.00 0.00 O ATOM 478 OD2 ASP A 30 99.733 -2.267 3.611 1.00 0.00 O ATOM 0 H ASP A 30 98.801 -5.763 4.931 1.00 0.00 H new ATOM 0 HA ASP A 30 96.294 -4.510 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.588 -2.419 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.197 -3.636 5.975 1.00 0.00 H new ATOM 483 N GLY A 31 96.477 -3.070 2.391 1.00 0.00 N ATOM 484 CA GLY A 31 96.366 -2.626 0.974 1.00 0.00 C ATOM 485 C GLY A 31 95.107 -3.229 0.355 1.00 0.00 C ATOM 486 O GLY A 31 94.458 -2.621 -0.469 1.00 0.00 O ATOM 0 H GLY A 31 95.917 -2.536 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.325 -1.538 0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.247 -2.938 0.413 1.00 0.00 H new ATOM 490 N THR A 32 94.751 -4.418 0.755 1.00 0.00 N ATOM 491 CA THR A 32 93.527 -5.054 0.195 1.00 0.00 C ATOM 492 C THR A 32 92.310 -4.520 0.938 1.00 0.00 C ATOM 493 O THR A 32 92.194 -4.667 2.141 1.00 0.00 O ATOM 494 CB THR A 32 93.610 -6.569 0.387 1.00 0.00 C ATOM 495 OG1 THR A 32 94.809 -7.058 -0.199 1.00 0.00 O ATOM 496 CG2 THR A 32 92.404 -7.233 -0.279 1.00 0.00 C ATOM 0 H THR A 32 95.254 -4.976 1.445 1.00 0.00 H new ATOM 0 HA THR A 32 93.444 -4.826 -0.868 1.00 0.00 H new ATOM 0 HB THR A 32 93.609 -6.801 1.452 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.862 -8.029 -0.074 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.462 -8.313 -0.143 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.486 -6.859 0.175 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.403 -7.001 -1.344 1.00 0.00 H new ATOM 504 N PHE A 33 91.398 -3.893 0.249 1.00 0.00 N ATOM 505 CA PHE A 33 90.212 -3.358 0.962 1.00 0.00 C ATOM 506 C PHE A 33 88.929 -3.652 0.186 1.00 0.00 C ATOM 507 O PHE A 33 88.953 -4.000 -0.978 1.00 0.00 O ATOM 508 CB PHE A 33 90.370 -1.852 1.150 1.00 0.00 C ATOM 509 CG PHE A 33 89.634 -1.122 0.063 1.00 0.00 C ATOM 510 CD1 PHE A 33 90.188 -1.012 -1.211 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.390 -0.559 0.337 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.488 -0.337 -2.215 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.697 0.117 -0.668 1.00 0.00 C ATOM 514 CZ PHE A 33 88.245 0.225 -1.940 1.00 0.00 C ATOM 0 H PHE A 33 91.423 -3.731 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 33 90.141 -3.846 1.934 1.00 0.00 H new ATOM 0 HB2 PHE A 33 89.984 -1.556 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.426 -1.583 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 33 91.154 -1.446 -1.422 1.00 0.00 H new ATOM 0 HD2 PHE A 33 87.963 -0.645 1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.912 -0.252 -3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 33 86.733 0.557 -0.457 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.705 0.746 -2.717 1.00 0.00 H new ATOM 524 N LEU A 34 87.807 -3.514 0.841 1.00 0.00 N ATOM 525 CA LEU A 34 86.505 -3.788 0.170 1.00 0.00 C ATOM 526 C LEU A 34 85.524 -2.641 0.433 1.00 0.00 C ATOM 527 O LEU A 34 85.716 -1.831 1.320 1.00 0.00 O ATOM 528 CB LEU A 34 85.890 -5.072 0.738 1.00 0.00 C ATOM 529 CG LEU A 34 86.974 -5.962 1.353 1.00 0.00 C ATOM 530 CD1 LEU A 34 87.067 -5.705 2.855 1.00 0.00 C ATOM 531 CD2 LEU A 34 86.604 -7.423 1.132 1.00 0.00 C ATOM 0 H LEU A 34 87.737 -3.222 1.816 1.00 0.00 H new ATOM 0 HA LEU A 34 86.686 -3.890 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.145 -4.822 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 34 85.372 -5.614 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 34 87.931 -5.736 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 34 87.840 -6.341 3.286 1.00 0.00 H new ATOM 0 HD12 LEU A 34 87.319 -4.659 3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 34 86.109 -5.931 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 34 87.372 -8.063 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 34 85.645 -7.631 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 34 86.530 -7.622 0.063 1.00 0.00 H new ATOM 543 N VAL A 35 84.452 -2.596 -0.315 1.00 0.00 N ATOM 544 CA VAL A 35 83.426 -1.541 -0.099 1.00 0.00 C ATOM 545 C VAL A 35 82.128 -2.232 0.321 1.00 0.00 C ATOM 546 O VAL A 35 81.607 -3.079 -0.376 1.00 0.00 O ATOM 547 CB VAL A 35 83.214 -0.729 -1.391 1.00 0.00 C ATOM 548 CG1 VAL A 35 81.983 0.174 -1.253 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.430 0.157 -1.633 1.00 0.00 C ATOM 0 H VAL A 35 84.245 -3.250 -1.070 1.00 0.00 H new ATOM 0 HA VAL A 35 83.750 -0.847 0.677 1.00 0.00 H new ATOM 0 HB VAL A 35 83.071 -1.422 -2.220 1.00 0.00 H new ATOM 0 HG11 VAL A 35 81.844 0.743 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.101 -0.439 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.128 0.862 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.284 0.733 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.558 0.837 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.319 -0.465 -1.735 1.00 0.00 H new ATOM 559 N ARG A 36 81.614 -1.887 1.468 1.00 0.00 N ATOM 560 CA ARG A 36 80.360 -2.523 1.953 1.00 0.00 C ATOM 561 C ARG A 36 79.527 -1.467 2.656 1.00 0.00 C ATOM 562 O ARG A 36 79.897 -0.311 2.711 1.00 0.00 O ATOM 563 CB ARG A 36 80.676 -3.650 2.949 1.00 0.00 C ATOM 564 CG ARG A 36 81.377 -3.080 4.188 1.00 0.00 C ATOM 565 CD ARG A 36 81.408 -4.143 5.291 1.00 0.00 C ATOM 566 NE ARG A 36 80.046 -4.291 5.888 1.00 0.00 N ATOM 567 CZ ARG A 36 79.777 -5.327 6.635 1.00 0.00 C ATOM 568 NH1 ARG A 36 80.678 -6.254 6.799 1.00 0.00 N ATOM 569 NH2 ARG A 36 78.611 -5.444 7.210 1.00 0.00 N ATOM 0 H ARG A 36 82.012 -1.187 2.094 1.00 0.00 H new ATOM 0 HA ARG A 36 79.820 -2.944 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.755 -4.154 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.312 -4.397 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 36 82.392 -2.773 3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.853 -2.191 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 36 81.741 -5.096 4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.125 -3.860 6.062 1.00 0.00 H new ATOM 0 HE ARG A 36 79.330 -3.586 5.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 81.587 -6.168 6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 36 80.474 -7.066 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 36 77.902 -4.723 7.077 1.00 0.00 H new ATOM 0 HH22 ARG A 36 78.409 -6.257 7.792 1.00 0.00 H new ATOM 583 N GLU A 37 78.422 -1.845 3.218 1.00 0.00 N ATOM 584 CA GLU A 37 77.605 -0.855 3.935 1.00 0.00 C ATOM 585 C GLU A 37 77.882 -1.027 5.420 1.00 0.00 C ATOM 586 O GLU A 37 78.388 -2.048 5.842 1.00 0.00 O ATOM 587 CB GLU A 37 76.128 -1.123 3.634 1.00 0.00 C ATOM 588 CG GLU A 37 75.240 -0.168 4.430 1.00 0.00 C ATOM 589 CD GLU A 37 73.773 -0.446 4.091 1.00 0.00 C ATOM 590 OE1 GLU A 37 73.293 0.120 3.122 1.00 0.00 O ATOM 591 OE2 GLU A 37 73.158 -1.223 4.802 1.00 0.00 O ATOM 0 H GLU A 37 78.054 -2.796 3.209 1.00 0.00 H new ATOM 0 HA GLU A 37 77.845 0.162 3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.940 -1.001 2.567 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.880 -2.154 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.410 -0.299 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 37 75.491 0.866 4.192 1.00 0.00 H new ATOM 598 N SER A 38 77.534 -0.073 6.225 1.00 0.00 N ATOM 599 CA SER A 38 77.761 -0.249 7.683 1.00 0.00 C ATOM 600 C SER A 38 76.673 -1.198 8.139 1.00 0.00 C ATOM 601 O SER A 38 76.352 -1.319 9.303 1.00 0.00 O ATOM 602 CB SER A 38 77.617 1.085 8.411 1.00 0.00 C ATOM 603 OG SER A 38 77.665 0.857 9.814 1.00 0.00 O ATOM 0 H SER A 38 77.108 0.811 5.946 1.00 0.00 H new ATOM 0 HA SER A 38 78.761 -0.628 7.893 1.00 0.00 H new ATOM 0 HB2 SER A 38 78.416 1.764 8.113 1.00 0.00 H new ATOM 0 HB3 SER A 38 76.675 1.562 8.140 1.00 0.00 H new ATOM 0 HG SER A 38 77.369 -0.057 10.007 1.00 0.00 H new ATOM 609 N SER A 39 76.099 -1.852 7.169 1.00 0.00 N ATOM 610 CA SER A 39 75.001 -2.808 7.405 1.00 0.00 C ATOM 611 C SER A 39 73.752 -2.014 7.783 1.00 0.00 C ATOM 612 O SER A 39 72.775 -1.985 7.060 1.00 0.00 O ATOM 613 CB SER A 39 75.362 -3.771 8.537 1.00 0.00 C ATOM 614 OG SER A 39 74.423 -4.836 8.552 1.00 0.00 O ATOM 0 H SER A 39 76.362 -1.753 6.188 1.00 0.00 H new ATOM 0 HA SER A 39 74.824 -3.394 6.503 1.00 0.00 H new ATOM 0 HB2 SER A 39 76.370 -4.160 8.394 1.00 0.00 H new ATOM 0 HB3 SER A 39 75.354 -3.248 9.493 1.00 0.00 H new ATOM 0 HG SER A 39 74.647 -5.460 9.274 1.00 0.00 H new ATOM 620 N LYS A 40 73.791 -1.359 8.912 1.00 0.00 N ATOM 621 CA LYS A 40 72.625 -0.545 9.357 1.00 0.00 C ATOM 622 C LYS A 40 72.884 0.932 9.049 1.00 0.00 C ATOM 623 O LYS A 40 73.991 1.321 8.743 1.00 0.00 O ATOM 624 CB LYS A 40 72.428 -0.723 10.864 1.00 0.00 C ATOM 625 CG LYS A 40 72.072 -2.185 11.165 1.00 0.00 C ATOM 626 CD LYS A 40 71.479 -2.288 12.574 1.00 0.00 C ATOM 627 CE LYS A 40 70.985 -3.716 12.826 1.00 0.00 C ATOM 628 NZ LYS A 40 70.437 -3.811 14.208 1.00 0.00 N ATOM 0 H LYS A 40 74.587 -1.353 9.549 1.00 0.00 H new ATOM 0 HA LYS A 40 71.730 -0.874 8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 40 73.337 -0.442 11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 40 71.635 -0.064 11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 40 71.357 -2.555 10.430 1.00 0.00 H new ATOM 0 HG3 LYS A 40 72.961 -2.810 11.087 1.00 0.00 H new ATOM 0 HD2 LYS A 40 72.231 -2.017 13.315 1.00 0.00 H new ATOM 0 HD3 LYS A 40 70.655 -1.583 12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 40 70.217 -3.981 12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 40 71.804 -4.424 12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 70.101 -4.780 14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 71.182 -3.575 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 69.645 -3.145 14.314 1.00 0.00 H new ATOM 642 N GLN A 41 71.868 1.753 9.128 1.00 0.00 N ATOM 643 CA GLN A 41 72.043 3.210 8.850 1.00 0.00 C ATOM 644 C GLN A 41 72.335 3.420 7.361 1.00 0.00 C ATOM 645 O GLN A 41 72.735 4.488 6.941 1.00 0.00 O ATOM 646 CB GLN A 41 73.213 3.758 9.675 1.00 0.00 C ATOM 647 CG GLN A 41 73.052 3.335 11.137 1.00 0.00 C ATOM 648 CD GLN A 41 72.486 4.502 11.948 1.00 0.00 C ATOM 649 OE1 GLN A 41 73.161 5.049 12.796 1.00 0.00 O ATOM 650 NE2 GLN A 41 71.267 4.911 11.723 1.00 0.00 N ATOM 0 H GLN A 41 70.918 1.474 9.375 1.00 0.00 H new ATOM 0 HA GLN A 41 71.128 3.736 9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 41 74.157 3.384 9.279 1.00 0.00 H new ATOM 0 HB3 GLN A 41 73.245 4.845 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 41 72.387 2.474 11.206 1.00 0.00 H new ATOM 0 HG3 GLN A 41 74.015 3.028 11.546 1.00 0.00 H new ATOM 0 HE21 GLN A 41 70.699 4.453 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 41 70.883 5.689 12.259 1.00 0.00 H new ATOM 659 N GLY A 42 72.128 2.410 6.559 1.00 0.00 N ATOM 660 CA GLY A 42 72.382 2.544 5.093 1.00 0.00 C ATOM 661 C GLY A 42 73.658 3.358 4.849 1.00 0.00 C ATOM 662 O GLY A 42 73.801 4.009 3.835 1.00 0.00 O ATOM 0 H GLY A 42 71.793 1.494 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 42 72.480 1.557 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 42 71.534 3.031 4.613 1.00 0.00 H new ATOM 666 N CYS A 43 74.587 3.328 5.767 1.00 0.00 N ATOM 667 CA CYS A 43 75.846 4.104 5.573 1.00 0.00 C ATOM 668 C CYS A 43 76.852 3.268 4.782 1.00 0.00 C ATOM 669 O CYS A 43 77.057 2.100 5.051 1.00 0.00 O ATOM 670 CB CYS A 43 76.454 4.468 6.931 1.00 0.00 C ATOM 671 SG CYS A 43 77.808 5.643 6.683 1.00 0.00 S ATOM 0 H CYS A 43 74.529 2.802 6.639 1.00 0.00 H new ATOM 0 HA CYS A 43 75.614 5.017 5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 43 75.693 4.904 7.578 1.00 0.00 H new ATOM 0 HB3 CYS A 43 76.822 3.571 7.430 1.00 0.00 H new ATOM 0 HG CYS A 43 78.304 5.488 5.491 1.00 0.00 H new ATOM 677 N TYR A 44 77.490 3.866 3.814 1.00 0.00 N ATOM 678 CA TYR A 44 78.493 3.119 3.009 1.00 0.00 C ATOM 679 C TYR A 44 79.796 3.060 3.802 1.00 0.00 C ATOM 680 O TYR A 44 80.071 3.920 4.613 1.00 0.00 O ATOM 681 CB TYR A 44 78.723 3.844 1.678 1.00 0.00 C ATOM 682 CG TYR A 44 77.475 3.750 0.829 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.470 4.720 0.954 1.00 0.00 C ATOM 684 CD2 TYR A 44 77.316 2.695 -0.079 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.310 4.633 0.174 1.00 0.00 C ATOM 686 CE2 TYR A 44 76.155 2.609 -0.860 1.00 0.00 C ATOM 687 CZ TYR A 44 75.152 3.578 -0.731 1.00 0.00 C ATOM 688 OH TYR A 44 74.005 3.492 -1.495 1.00 0.00 O ATOM 0 H TYR A 44 77.359 4.841 3.546 1.00 0.00 H new ATOM 0 HA TYR A 44 78.138 2.110 2.801 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.974 4.889 1.860 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.568 3.400 1.151 1.00 0.00 H new ATOM 0 HD1 TYR A 44 76.591 5.535 1.652 1.00 0.00 H new ATOM 0 HD2 TYR A 44 78.089 1.947 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 44 74.537 5.381 0.271 1.00 0.00 H new ATOM 0 HE2 TYR A 44 76.034 1.796 -1.561 1.00 0.00 H new ATOM 0 HH TYR A 44 74.055 2.702 -2.072 1.00 0.00 H new ATOM 698 N ALA A 45 80.599 2.055 3.602 1.00 0.00 N ATOM 699 CA ALA A 45 81.860 1.982 4.385 1.00 0.00 C ATOM 700 C ALA A 45 82.904 1.163 3.630 1.00 0.00 C ATOM 701 O ALA A 45 82.599 0.152 3.034 1.00 0.00 O ATOM 702 CB ALA A 45 81.571 1.318 5.733 1.00 0.00 C ATOM 0 H ALA A 45 80.441 1.293 2.942 1.00 0.00 H new ATOM 0 HA ALA A 45 82.247 2.989 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.491 1.260 6.315 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.833 1.907 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 45 81.182 0.313 5.568 1.00 0.00 H new ATOM 708 N CYS A 46 84.140 1.582 3.669 1.00 0.00 N ATOM 709 CA CYS A 46 85.202 0.809 2.970 1.00 0.00 C ATOM 710 C CYS A 46 86.039 0.084 4.017 1.00 0.00 C ATOM 711 O CYS A 46 86.655 0.694 4.867 1.00 0.00 O ATOM 712 CB CYS A 46 86.093 1.749 2.153 1.00 0.00 C ATOM 713 SG CYS A 46 85.079 2.613 0.932 1.00 0.00 S ATOM 0 H CYS A 46 84.458 2.422 4.153 1.00 0.00 H new ATOM 0 HA CYS A 46 84.746 0.090 2.289 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.584 2.467 2.810 1.00 0.00 H new ATOM 0 HB3 CYS A 46 86.880 1.183 1.655 1.00 0.00 H new ATOM 0 HG CYS A 46 85.795 3.520 0.337 1.00 0.00 H new ATOM 719 N SER A 47 86.054 -1.216 3.968 1.00 0.00 N ATOM 720 CA SER A 47 86.839 -1.993 4.964 1.00 0.00 C ATOM 721 C SER A 47 88.242 -2.252 4.410 1.00 0.00 C ATOM 722 O SER A 47 88.401 -2.742 3.312 1.00 0.00 O ATOM 723 CB SER A 47 86.129 -3.320 5.215 1.00 0.00 C ATOM 724 OG SER A 47 84.880 -3.072 5.844 1.00 0.00 O ATOM 0 H SER A 47 85.554 -1.777 3.278 1.00 0.00 H new ATOM 0 HA SER A 47 86.921 -1.437 5.898 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.977 -3.848 4.274 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.745 -3.962 5.844 1.00 0.00 H new ATOM 0 HG SER A 47 84.420 -3.922 6.005 1.00 0.00 H new ATOM 730 N VAL A 48 89.267 -1.922 5.152 1.00 0.00 N ATOM 731 CA VAL A 48 90.652 -2.150 4.642 1.00 0.00 C ATOM 732 C VAL A 48 91.528 -2.782 5.734 1.00 0.00 C ATOM 733 O VAL A 48 91.385 -2.490 6.905 1.00 0.00 O ATOM 734 CB VAL A 48 91.250 -0.801 4.200 1.00 0.00 C ATOM 735 CG1 VAL A 48 90.147 0.261 4.192 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.360 -0.355 5.165 1.00 0.00 C ATOM 0 H VAL A 48 89.206 -1.508 6.082 1.00 0.00 H new ATOM 0 HA VAL A 48 90.618 -2.834 3.794 1.00 0.00 H new ATOM 0 HB VAL A 48 91.674 -0.919 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 48 90.565 1.218 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 48 89.361 -0.036 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 48 89.728 0.358 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 48 92.768 0.600 4.834 1.00 0.00 H new ATOM 0 HG22 VAL A 48 91.948 -0.245 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 48 93.153 -1.103 5.179 1.00 0.00 H new ATOM 746 N VAL A 49 92.448 -3.633 5.351 1.00 0.00 N ATOM 747 CA VAL A 49 93.353 -4.268 6.357 1.00 0.00 C ATOM 748 C VAL A 49 94.614 -3.420 6.486 1.00 0.00 C ATOM 749 O VAL A 49 95.094 -2.865 5.514 1.00 0.00 O ATOM 750 CB VAL A 49 93.751 -5.669 5.893 1.00 0.00 C ATOM 751 CG1 VAL A 49 94.723 -6.293 6.901 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.501 -6.535 5.782 1.00 0.00 C ATOM 0 H VAL A 49 92.611 -3.915 4.384 1.00 0.00 H new ATOM 0 HA VAL A 49 92.836 -4.337 7.314 1.00 0.00 H new ATOM 0 HB VAL A 49 94.239 -5.605 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.004 -7.291 6.566 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.615 -5.672 6.978 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.242 -6.360 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.780 -7.536 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.014 -6.597 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 49 91.815 -6.092 5.060 1.00 0.00 H new ATOM 762 N VAL A 50 95.165 -3.310 7.664 1.00 0.00 N ATOM 763 CA VAL A 50 96.397 -2.492 7.815 1.00 0.00 C ATOM 764 C VAL A 50 97.512 -3.349 8.414 1.00 0.00 C ATOM 765 O VAL A 50 97.268 -4.375 9.017 1.00 0.00 O ATOM 766 CB VAL A 50 96.106 -1.274 8.704 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.507 -1.565 10.148 1.00 0.00 C ATOM 768 CG2 VAL A 50 96.900 -0.069 8.200 1.00 0.00 C ATOM 0 H VAL A 50 94.819 -3.747 8.518 1.00 0.00 H new ATOM 0 HA VAL A 50 96.722 -2.135 6.838 1.00 0.00 H new ATOM 0 HB VAL A 50 95.038 -1.059 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.295 -0.693 10.767 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.940 -2.419 10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.573 -1.791 10.191 1.00 0.00 H new ATOM 0 HG21 VAL A 50 96.692 0.794 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 50 97.966 -0.295 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 50 96.609 0.155 7.174 1.00 0.00 H new ATOM 778 N ASP A 51 98.737 -2.942 8.228 1.00 0.00 N ATOM 779 CA ASP A 51 99.884 -3.735 8.750 1.00 0.00 C ATOM 780 C ASP A 51 99.872 -3.751 10.277 1.00 0.00 C ATOM 781 O ASP A 51 100.833 -3.367 10.917 1.00 0.00 O ATOM 782 CB ASP A 51 101.195 -3.110 8.264 1.00 0.00 C ATOM 783 CG ASP A 51 102.372 -3.980 8.713 1.00 0.00 C ATOM 784 OD1 ASP A 51 102.127 -4.981 9.366 1.00 0.00 O ATOM 785 OD2 ASP A 51 103.498 -3.631 8.394 1.00 0.00 O ATOM 0 H ASP A 51 98.994 -2.088 7.733 1.00 0.00 H new ATOM 0 HA ASP A 51 99.798 -4.758 8.385 1.00 0.00 H new ATOM 0 HB2 ASP A 51 101.188 -3.022 7.178 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.300 -2.102 8.665 1.00 0.00 H new ATOM 790 N GLY A 52 98.805 -4.208 10.872 1.00 0.00 N ATOM 791 CA GLY A 52 98.765 -4.258 12.359 1.00 0.00 C ATOM 792 C GLY A 52 97.350 -4.574 12.869 1.00 0.00 C ATOM 793 O GLY A 52 97.189 -5.223 13.883 1.00 0.00 O ATOM 0 H GLY A 52 97.967 -4.546 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.461 -5.016 12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 52 99.096 -3.303 12.766 1.00 0.00 H new ATOM 797 N GLU A 53 96.325 -4.123 12.189 1.00 0.00 N ATOM 798 CA GLU A 53 94.933 -4.410 12.673 1.00 0.00 C ATOM 799 C GLU A 53 93.924 -4.253 11.529 1.00 0.00 C ATOM 800 O GLU A 53 94.218 -3.682 10.500 1.00 0.00 O ATOM 801 CB GLU A 53 94.554 -3.427 13.788 1.00 0.00 C ATOM 802 CG GLU A 53 95.462 -3.635 15.003 1.00 0.00 C ATOM 803 CD GLU A 53 94.922 -2.832 16.191 1.00 0.00 C ATOM 804 OE1 GLU A 53 94.056 -1.999 15.977 1.00 0.00 O ATOM 805 OE2 GLU A 53 95.383 -3.067 17.295 1.00 0.00 O ATOM 0 H GLU A 53 96.386 -3.575 11.331 1.00 0.00 H new ATOM 0 HA GLU A 53 94.909 -5.433 13.047 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.645 -2.403 13.427 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.512 -3.573 14.073 1.00 0.00 H new ATOM 0 HG2 GLU A 53 95.509 -4.694 15.258 1.00 0.00 H new ATOM 0 HG3 GLU A 53 96.478 -3.318 14.769 1.00 0.00 H new ATOM 812 N VAL A 54 92.727 -4.744 11.718 1.00 0.00 N ATOM 813 CA VAL A 54 91.675 -4.610 10.665 1.00 0.00 C ATOM 814 C VAL A 54 90.783 -3.412 10.995 1.00 0.00 C ATOM 815 O VAL A 54 90.249 -3.313 12.081 1.00 0.00 O ATOM 816 CB VAL A 54 90.826 -5.880 10.630 1.00 0.00 C ATOM 817 CG1 VAL A 54 89.481 -5.584 9.964 1.00 0.00 C ATOM 818 CG2 VAL A 54 91.562 -6.952 9.828 1.00 0.00 C ATOM 0 H VAL A 54 92.431 -5.235 12.561 1.00 0.00 H new ATOM 0 HA VAL A 54 92.146 -4.461 9.693 1.00 0.00 H new ATOM 0 HB VAL A 54 90.654 -6.231 11.648 1.00 0.00 H new ATOM 0 HG11 VAL A 54 88.879 -6.492 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 54 88.956 -4.815 10.530 1.00 0.00 H new ATOM 0 HG13 VAL A 54 89.649 -5.234 8.945 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.961 -7.861 9.799 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.729 -6.595 8.812 1.00 0.00 H new ATOM 0 HG23 VAL A 54 92.521 -7.165 10.300 1.00 0.00 H new ATOM 828 N LYS A 55 90.623 -2.492 10.082 1.00 0.00 N ATOM 829 CA LYS A 55 89.770 -1.308 10.391 1.00 0.00 C ATOM 830 C LYS A 55 88.598 -1.213 9.410 1.00 0.00 C ATOM 831 O LYS A 55 88.711 -1.547 8.246 1.00 0.00 O ATOM 832 CB LYS A 55 90.618 -0.041 10.295 1.00 0.00 C ATOM 833 CG LYS A 55 91.932 -0.267 11.045 1.00 0.00 C ATOM 834 CD LYS A 55 93.044 -0.538 10.030 1.00 0.00 C ATOM 835 CE LYS A 55 93.709 0.783 9.638 1.00 0.00 C ATOM 836 NZ LYS A 55 93.868 0.848 8.156 1.00 0.00 N ATOM 0 H LYS A 55 91.038 -2.507 9.150 1.00 0.00 H new ATOM 0 HA LYS A 55 89.370 -1.416 11.399 1.00 0.00 H new ATOM 0 HB2 LYS A 55 90.817 0.202 9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.081 0.806 10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.177 0.608 11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.834 -1.109 11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.783 -1.217 10.456 1.00 0.00 H new ATOM 0 HD3 LYS A 55 92.634 -1.027 9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.106 1.622 9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 55 94.682 0.868 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 94.767 1.316 7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 93.867 -0.115 7.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 93.080 1.389 7.746 1.00 0.00 H new ATOM 850 N HIS A 56 87.473 -0.745 9.878 1.00 0.00 N ATOM 851 CA HIS A 56 86.286 -0.610 8.992 1.00 0.00 C ATOM 852 C HIS A 56 85.989 0.878 8.783 1.00 0.00 C ATOM 853 O HIS A 56 85.213 1.473 9.503 1.00 0.00 O ATOM 854 CB HIS A 56 85.076 -1.289 9.647 1.00 0.00 C ATOM 855 CG HIS A 56 85.359 -2.758 9.838 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.426 -3.349 11.094 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.584 -3.770 8.937 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.683 -4.660 10.911 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.787 -4.967 9.616 1.00 0.00 N ATOM 0 H HIS A 56 87.326 -0.449 10.843 1.00 0.00 H new ATOM 0 HA HIS A 56 86.486 -1.085 8.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 84.861 -0.822 10.608 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.191 -1.157 9.024 1.00 0.00 H new ATOM 0 HD1 HIS A 56 85.303 -2.877 11.990 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.601 -3.654 7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 56 85.791 -5.374 11.714 1.00 0.00 H new ATOM 867 N CYS A 57 86.601 1.483 7.799 1.00 0.00 N ATOM 868 CA CYS A 57 86.351 2.930 7.542 1.00 0.00 C ATOM 869 C CYS A 57 84.909 3.115 7.076 1.00 0.00 C ATOM 870 O CYS A 57 84.387 2.327 6.312 1.00 0.00 O ATOM 871 CB CYS A 57 87.313 3.429 6.460 1.00 0.00 C ATOM 872 SG CYS A 57 88.981 3.577 7.146 1.00 0.00 S ATOM 0 H CYS A 57 87.262 1.037 7.163 1.00 0.00 H new ATOM 0 HA CYS A 57 86.513 3.501 8.457 1.00 0.00 H new ATOM 0 HB2 CYS A 57 87.316 2.738 5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.979 4.394 6.080 1.00 0.00 H new ATOM 0 HG CYS A 57 89.794 3.999 6.223 1.00 0.00 H new ATOM 878 N VAL A 58 84.257 4.143 7.541 1.00 0.00 N ATOM 879 CA VAL A 58 82.842 4.373 7.142 1.00 0.00 C ATOM 880 C VAL A 58 82.751 5.546 6.161 1.00 0.00 C ATOM 881 O VAL A 58 83.342 6.589 6.364 1.00 0.00 O ATOM 882 CB VAL A 58 82.017 4.683 8.395 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.295 6.112 8.859 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.528 4.544 8.080 1.00 0.00 C ATOM 0 H VAL A 58 84.644 4.835 8.182 1.00 0.00 H new ATOM 0 HA VAL A 58 82.454 3.480 6.653 1.00 0.00 H new ATOM 0 HB VAL A 58 82.294 3.982 9.182 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.705 6.326 9.750 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.355 6.220 9.090 1.00 0.00 H new ATOM 0 HG13 VAL A 58 82.024 6.811 8.068 1.00 0.00 H new ATOM 0 HG21 VAL A 58 79.945 4.765 8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.257 5.242 7.288 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.319 3.525 7.753 1.00 0.00 H new ATOM 894 N ILE A 59 82.004 5.382 5.102 1.00 0.00 N ATOM 895 CA ILE A 59 81.853 6.482 4.113 1.00 0.00 C ATOM 896 C ILE A 59 80.370 6.830 3.985 1.00 0.00 C ATOM 897 O ILE A 59 79.514 5.974 4.073 1.00 0.00 O ATOM 898 CB ILE A 59 82.415 6.047 2.755 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.901 5.726 2.910 1.00 0.00 C ATOM 900 CG2 ILE A 59 82.249 7.174 1.728 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.496 5.444 1.535 1.00 0.00 C ATOM 0 H ILE A 59 81.491 4.529 4.881 1.00 0.00 H new ATOM 0 HA ILE A 59 82.406 7.359 4.449 1.00 0.00 H new ATOM 0 HB ILE A 59 81.873 5.167 2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 59 84.419 6.562 3.380 1.00 0.00 H new ATOM 0 HG13 ILE A 59 84.033 4.862 3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 59 82.652 6.853 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 59 81.191 7.412 1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.786 8.059 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.557 5.214 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 59 83.983 4.595 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 59 84.375 6.321 0.899 1.00 0.00 H new ATOM 913 N ASN A 60 80.053 8.080 3.785 1.00 0.00 N ATOM 914 CA ASN A 60 78.618 8.464 3.661 1.00 0.00 C ATOM 915 C ASN A 60 78.357 8.963 2.242 1.00 0.00 C ATOM 916 O ASN A 60 78.940 9.931 1.813 1.00 0.00 O ATOM 917 CB ASN A 60 78.305 9.589 4.654 1.00 0.00 C ATOM 918 CG ASN A 60 76.812 9.906 4.602 1.00 0.00 C ATOM 919 OD1 ASN A 60 76.422 11.033 4.362 1.00 0.00 O ATOM 920 ND2 ASN A 60 75.954 8.951 4.817 1.00 0.00 N ATOM 0 H ASN A 60 80.720 8.847 3.703 1.00 0.00 H new ATOM 0 HA ASN A 60 77.987 7.601 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.590 9.289 5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 60 78.886 10.478 4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 60 74.954 9.147 4.784 1.00 0.00 H new ATOM 0 HD22 ASN A 60 76.282 8.006 5.018 1.00 0.00 H new ATOM 927 N LYS A 61 77.488 8.324 1.506 1.00 0.00 N ATOM 928 CA LYS A 61 77.224 8.803 0.119 1.00 0.00 C ATOM 929 C LYS A 61 76.183 9.920 0.149 1.00 0.00 C ATOM 930 O LYS A 61 75.039 9.711 0.499 1.00 0.00 O ATOM 931 CB LYS A 61 76.705 7.653 -0.745 1.00 0.00 C ATOM 932 CG LYS A 61 76.483 8.154 -2.175 1.00 0.00 C ATOM 933 CD LYS A 61 75.713 7.097 -2.968 1.00 0.00 C ATOM 934 CE LYS A 61 75.580 7.547 -4.424 1.00 0.00 C ATOM 935 NZ LYS A 61 74.856 8.848 -4.476 1.00 0.00 N ATOM 0 H LYS A 61 76.957 7.504 1.799 1.00 0.00 H new ATOM 0 HA LYS A 61 78.155 9.180 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 61 77.420 6.830 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 61 75.772 7.266 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 61 75.927 9.092 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 61 77.441 8.358 -2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 61 76.232 6.140 -2.918 1.00 0.00 H new ATOM 0 HD3 LYS A 61 74.726 6.947 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 76.567 7.649 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 61 75.041 6.795 -5.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 74.527 9.023 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 74.039 8.816 -3.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 75.497 9.614 -4.184 1.00 0.00 H new ATOM 949 N THR A 62 76.576 11.105 -0.223 1.00 0.00 N ATOM 950 CA THR A 62 75.626 12.250 -0.229 1.00 0.00 C ATOM 951 C THR A 62 76.010 13.215 -1.346 1.00 0.00 C ATOM 952 O THR A 62 77.105 13.170 -1.869 1.00 0.00 O ATOM 953 CB THR A 62 75.696 12.988 1.106 1.00 0.00 C ATOM 954 OG1 THR A 62 75.446 12.081 2.168 1.00 0.00 O ATOM 955 CG2 THR A 62 74.658 14.112 1.128 1.00 0.00 C ATOM 0 H THR A 62 77.523 11.331 -0.526 1.00 0.00 H new ATOM 0 HA THR A 62 74.614 11.876 -0.387 1.00 0.00 H new ATOM 0 HB THR A 62 76.691 13.417 1.229 1.00 0.00 H new ATOM 0 HG1 THR A 62 76.203 12.090 2.791 1.00 0.00 H new ATOM 0 HG21 THR A 62 74.710 14.637 2.082 1.00 0.00 H new ATOM 0 HG22 THR A 62 74.862 14.811 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 62 73.661 13.689 1.001 1.00 0.00 H new ATOM 963 N ALA A 63 75.125 14.096 -1.707 1.00 0.00 N ATOM 964 CA ALA A 63 75.446 15.070 -2.778 1.00 0.00 C ATOM 965 C ALA A 63 76.701 15.853 -2.378 1.00 0.00 C ATOM 966 O ALA A 63 77.639 15.971 -3.140 1.00 0.00 O ATOM 967 CB ALA A 63 74.266 16.035 -2.937 1.00 0.00 C ATOM 0 H ALA A 63 74.192 14.183 -1.305 1.00 0.00 H new ATOM 0 HA ALA A 63 75.625 14.552 -3.720 1.00 0.00 H new ATOM 0 HB1 ALA A 63 74.490 16.757 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 63 73.371 15.474 -3.204 1.00 0.00 H new ATOM 0 HB3 ALA A 63 74.097 16.561 -1.998 1.00 0.00 H new ATOM 973 N THR A 64 76.722 16.400 -1.191 1.00 0.00 N ATOM 974 CA THR A 64 77.900 17.183 -0.749 1.00 0.00 C ATOM 975 C THR A 64 78.581 16.535 0.467 1.00 0.00 C ATOM 976 O THR A 64 79.315 17.188 1.180 1.00 0.00 O ATOM 977 CB THR A 64 77.409 18.563 -0.349 1.00 0.00 C ATOM 978 OG1 THR A 64 76.360 18.429 0.600 1.00 0.00 O ATOM 979 CG2 THR A 64 76.901 19.308 -1.580 1.00 0.00 C ATOM 0 H THR A 64 75.966 16.334 -0.509 1.00 0.00 H new ATOM 0 HA THR A 64 78.625 17.227 -1.561 1.00 0.00 H new ATOM 0 HB THR A 64 78.230 19.128 0.093 1.00 0.00 H new ATOM 0 HG1 THR A 64 76.041 19.318 0.863 1.00 0.00 H new ATOM 0 HG21 THR A 64 76.550 20.298 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 64 77.710 19.409 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 64 76.080 18.750 -2.030 1.00 0.00 H new ATOM 987 N GLY A 65 78.344 15.277 0.733 1.00 0.00 N ATOM 988 CA GLY A 65 78.988 14.651 1.933 1.00 0.00 C ATOM 989 C GLY A 65 80.107 13.679 1.531 1.00 0.00 C ATOM 990 O GLY A 65 81.269 13.999 1.630 1.00 0.00 O ATOM 0 H GLY A 65 77.743 14.662 0.184 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.396 15.431 2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.235 14.119 2.515 1.00 0.00 H new ATOM 994 N TYR A 66 79.765 12.487 1.117 1.00 0.00 N ATOM 995 CA TYR A 66 80.808 11.475 0.741 1.00 0.00 C ATOM 996 C TYR A 66 81.571 11.037 1.998 1.00 0.00 C ATOM 997 O TYR A 66 81.124 11.232 3.114 1.00 0.00 O ATOM 998 CB TYR A 66 81.806 12.057 -0.275 1.00 0.00 C ATOM 999 CG TYR A 66 81.082 12.451 -1.537 1.00 0.00 C ATOM 1000 CD1 TYR A 66 80.709 11.471 -2.462 1.00 0.00 C ATOM 1001 CD2 TYR A 66 80.780 13.796 -1.781 1.00 0.00 C ATOM 1002 CE1 TYR A 66 80.033 11.833 -3.631 1.00 0.00 C ATOM 1003 CE2 TYR A 66 80.105 14.159 -2.952 1.00 0.00 C ATOM 1004 CZ TYR A 66 79.731 13.175 -3.876 1.00 0.00 C ATOM 1005 OH TYR A 66 79.058 13.524 -5.027 1.00 0.00 O ATOM 0 H TYR A 66 78.802 12.165 1.021 1.00 0.00 H new ATOM 0 HA TYR A 66 80.306 10.621 0.285 1.00 0.00 H new ATOM 0 HB2 TYR A 66 82.309 12.925 0.152 1.00 0.00 H new ATOM 0 HB3 TYR A 66 82.577 11.321 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 66 80.943 10.434 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 66 81.068 14.553 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 66 79.744 11.075 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 66 79.873 15.196 -3.143 1.00 0.00 H new ATOM 0 HH TYR A 66 79.677 13.503 -5.787 1.00 0.00 H new ATOM 1015 N GLY A 67 82.717 10.436 1.820 1.00 0.00 N ATOM 1016 CA GLY A 67 83.520 9.971 2.987 1.00 0.00 C ATOM 1017 C GLY A 67 83.766 11.127 3.961 1.00 0.00 C ATOM 1018 O GLY A 67 82.853 11.643 4.573 1.00 0.00 O ATOM 0 H GLY A 67 83.134 10.246 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 67 82.997 9.162 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 67 84.473 9.568 2.643 1.00 0.00 H new ATOM 1022 N PHE A 68 85.000 11.527 4.118 1.00 0.00 N ATOM 1023 CA PHE A 68 85.323 12.636 5.062 1.00 0.00 C ATOM 1024 C PHE A 68 84.585 13.908 4.636 1.00 0.00 C ATOM 1025 O PHE A 68 83.987 14.594 5.442 1.00 0.00 O ATOM 1026 CB PHE A 68 86.831 12.894 5.021 1.00 0.00 C ATOM 1027 CG PHE A 68 87.589 11.623 5.358 1.00 0.00 C ATOM 1028 CD1 PHE A 68 87.305 10.914 6.535 1.00 0.00 C ATOM 1029 CD2 PHE A 68 88.587 11.156 4.488 1.00 0.00 C ATOM 1030 CE1 PHE A 68 88.019 9.745 6.838 1.00 0.00 C ATOM 1031 CE2 PHE A 68 89.296 9.988 4.793 1.00 0.00 C ATOM 1032 CZ PHE A 68 89.012 9.282 5.968 1.00 0.00 C ATOM 0 H PHE A 68 85.803 11.130 3.630 1.00 0.00 H new ATOM 0 HA PHE A 68 85.015 12.361 6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 68 87.120 13.247 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 68 87.092 13.681 5.729 1.00 0.00 H new ATOM 0 HD1 PHE A 68 86.537 11.268 7.207 1.00 0.00 H new ATOM 0 HD2 PHE A 68 88.808 11.699 3.581 1.00 0.00 H new ATOM 0 HE1 PHE A 68 87.802 9.201 7.745 1.00 0.00 H new ATOM 0 HE2 PHE A 68 90.063 9.631 4.121 1.00 0.00 H new ATOM 0 HZ PHE A 68 89.559 8.381 6.203 1.00 0.00 H new ATOM 1042 N ALA A 69 84.621 14.223 3.370 1.00 0.00 N ATOM 1043 CA ALA A 69 83.923 15.445 2.876 1.00 0.00 C ATOM 1044 C ALA A 69 84.629 16.697 3.397 1.00 0.00 C ATOM 1045 O ALA A 69 84.149 17.802 3.228 1.00 0.00 O ATOM 1046 CB ALA A 69 82.475 15.434 3.377 1.00 0.00 C ATOM 0 H ALA A 69 85.106 13.684 2.653 1.00 0.00 H new ATOM 0 HA ALA A 69 83.940 15.453 1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 69 81.959 16.325 3.019 1.00 0.00 H new ATOM 0 HB2 ALA A 69 81.967 14.546 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 69 82.467 15.424 4.467 1.00 0.00 H new ATOM 1052 N GLU A 70 85.762 16.548 4.029 1.00 0.00 N ATOM 1053 CA GLU A 70 86.469 17.754 4.549 1.00 0.00 C ATOM 1054 C GLU A 70 87.746 18.033 3.732 1.00 0.00 C ATOM 1055 O GLU A 70 88.124 19.173 3.551 1.00 0.00 O ATOM 1056 CB GLU A 70 86.822 17.555 6.028 1.00 0.00 C ATOM 1057 CG GLU A 70 85.535 17.475 6.859 1.00 0.00 C ATOM 1058 CD GLU A 70 85.886 17.123 8.306 1.00 0.00 C ATOM 1059 OE1 GLU A 70 87.058 16.920 8.577 1.00 0.00 O ATOM 1060 OE2 GLU A 70 84.978 17.059 9.119 1.00 0.00 O ATOM 0 H GLU A 70 86.224 15.656 4.206 1.00 0.00 H new ATOM 0 HA GLU A 70 85.806 18.613 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 70 87.405 16.643 6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 70 87.442 18.380 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 70 85.006 18.427 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 70 84.866 16.722 6.442 1.00 0.00 H new ATOM 1067 N PRO A 71 88.410 17.010 3.243 1.00 0.00 N ATOM 1068 CA PRO A 71 89.657 17.161 2.444 1.00 0.00 C ATOM 1069 C PRO A 71 89.382 17.233 0.938 1.00 0.00 C ATOM 1070 O PRO A 71 90.055 16.606 0.143 1.00 0.00 O ATOM 1071 CB PRO A 71 90.426 15.892 2.792 1.00 0.00 C ATOM 1072 CG PRO A 71 89.378 14.857 3.064 1.00 0.00 C ATOM 1073 CD PRO A 71 88.065 15.593 3.391 1.00 0.00 C ATOM 0 HA PRO A 71 90.190 18.084 2.670 1.00 0.00 H new ATOM 0 HB2 PRO A 71 91.075 15.588 1.971 1.00 0.00 H new ATOM 0 HB3 PRO A 71 91.063 16.045 3.663 1.00 0.00 H new ATOM 0 HG2 PRO A 71 89.247 14.209 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 71 89.677 14.220 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 71 87.264 15.303 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 71 87.722 15.369 4.401 1.00 0.00 H new ATOM 1081 N TYR A 72 88.395 17.991 0.546 1.00 0.00 N ATOM 1082 CA TYR A 72 88.067 18.107 -0.905 1.00 0.00 C ATOM 1083 C TYR A 72 87.728 16.725 -1.467 1.00 0.00 C ATOM 1084 O TYR A 72 88.248 16.313 -2.484 1.00 0.00 O ATOM 1085 CB TYR A 72 89.258 18.700 -1.665 1.00 0.00 C ATOM 1086 CG TYR A 72 89.503 20.110 -1.183 1.00 0.00 C ATOM 1087 CD1 TYR A 72 88.737 21.168 -1.693 1.00 0.00 C ATOM 1088 CD2 TYR A 72 90.487 20.359 -0.220 1.00 0.00 C ATOM 1089 CE1 TYR A 72 88.956 22.474 -1.236 1.00 0.00 C ATOM 1090 CE2 TYR A 72 90.707 21.664 0.235 1.00 0.00 C ATOM 1091 CZ TYR A 72 89.940 22.722 -0.272 1.00 0.00 C ATOM 1092 OH TYR A 72 90.152 24.008 0.182 1.00 0.00 O ATOM 0 H TYR A 72 87.800 18.537 1.169 1.00 0.00 H new ATOM 0 HA TYR A 72 87.207 18.766 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 72 90.147 18.089 -1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 72 89.058 18.699 -2.736 1.00 0.00 H new ATOM 0 HD1 TYR A 72 87.979 20.976 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 72 91.077 19.544 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 72 88.366 23.289 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 72 91.468 21.856 0.977 1.00 0.00 H new ATOM 0 HH TYR A 72 90.869 24.005 0.850 1.00 0.00 H new ATOM 1102 N ASN A 73 86.858 16.004 -0.811 1.00 0.00 N ATOM 1103 CA ASN A 73 86.494 14.646 -1.309 1.00 0.00 C ATOM 1104 C ASN A 73 85.167 14.696 -2.071 1.00 0.00 C ATOM 1105 O ASN A 73 84.580 13.675 -2.371 1.00 0.00 O ATOM 1106 CB ASN A 73 86.357 13.689 -0.128 1.00 0.00 C ATOM 1107 CG ASN A 73 87.734 13.447 0.487 1.00 0.00 C ATOM 1108 OD1 ASN A 73 88.780 14.039 -0.023 1.00 0.00 O flip ATOM 1109 ND2 ASN A 73 87.858 12.719 1.449 1.00 0.00 N flip ATOM 0 H ASN A 73 86.385 16.295 0.045 1.00 0.00 H new ATOM 0 HA ASN A 73 87.279 14.298 -1.981 1.00 0.00 H new ATOM 0 HB2 ASN A 73 85.681 14.108 0.618 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.922 12.745 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 73 87.041 12.257 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 73 88.780 12.569 1.860 1.00 0.00 H new ATOM 1116 N LEU A 74 84.686 15.864 -2.391 1.00 0.00 N ATOM 1117 CA LEU A 74 83.398 15.951 -3.137 1.00 0.00 C ATOM 1118 C LEU A 74 83.604 15.400 -4.549 1.00 0.00 C ATOM 1119 O LEU A 74 83.505 16.114 -5.527 1.00 0.00 O ATOM 1120 CB LEU A 74 82.957 17.413 -3.226 1.00 0.00 C ATOM 1121 CG LEU A 74 82.738 17.973 -1.820 1.00 0.00 C ATOM 1122 CD1 LEU A 74 82.439 19.469 -1.913 1.00 0.00 C ATOM 1123 CD2 LEU A 74 81.554 17.265 -1.161 1.00 0.00 C ATOM 0 H LEU A 74 85.125 16.758 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 74 82.633 15.372 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 74 83.713 18.000 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 74 82.037 17.491 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 74 83.636 17.811 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 74 82.282 19.872 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 74 83.280 19.980 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 74 81.541 19.624 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 74 81.401 17.667 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 74 80.656 17.426 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 74 81.759 16.197 -1.096 1.00 0.00 H new ATOM 1135 N TYR A 75 83.891 14.132 -4.658 1.00 0.00 N ATOM 1136 CA TYR A 75 84.108 13.523 -6.000 1.00 0.00 C ATOM 1137 C TYR A 75 82.771 13.327 -6.713 1.00 0.00 C ATOM 1138 O TYR A 75 81.757 13.061 -6.098 1.00 0.00 O ATOM 1139 CB TYR A 75 84.814 12.174 -5.846 1.00 0.00 C ATOM 1140 CG TYR A 75 86.248 12.409 -5.446 1.00 0.00 C ATOM 1141 CD1 TYR A 75 87.127 12.997 -6.359 1.00 0.00 C ATOM 1142 CD2 TYR A 75 86.703 12.043 -4.172 1.00 0.00 C ATOM 1143 CE1 TYR A 75 88.462 13.221 -6.006 1.00 0.00 C ATOM 1144 CE2 TYR A 75 88.041 12.268 -3.816 1.00 0.00 C ATOM 1145 CZ TYR A 75 88.920 12.857 -4.735 1.00 0.00 C ATOM 1146 OH TYR A 75 90.237 13.079 -4.390 1.00 0.00 O ATOM 0 H TYR A 75 83.985 13.489 -3.872 1.00 0.00 H new ATOM 0 HA TYR A 75 84.730 14.191 -6.595 1.00 0.00 H new ATOM 0 HB2 TYR A 75 84.308 11.569 -5.093 1.00 0.00 H new ATOM 0 HB3 TYR A 75 84.771 11.618 -6.783 1.00 0.00 H new ATOM 0 HD1 TYR A 75 86.775 13.279 -7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 75 86.024 11.588 -3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 75 89.139 13.675 -6.714 1.00 0.00 H new ATOM 0 HE2 TYR A 75 88.394 11.988 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 75 90.300 13.893 -3.848 1.00 0.00 H new ATOM 1156 N SER A 76 82.767 13.458 -8.011 1.00 0.00 N ATOM 1157 CA SER A 76 81.499 13.293 -8.776 1.00 0.00 C ATOM 1158 C SER A 76 80.937 11.886 -8.569 1.00 0.00 C ATOM 1159 O SER A 76 79.738 11.699 -8.477 1.00 0.00 O ATOM 1160 CB SER A 76 81.767 13.513 -10.264 1.00 0.00 C ATOM 1161 OG SER A 76 80.529 13.542 -10.962 1.00 0.00 O ATOM 0 H SER A 76 83.589 13.673 -8.576 1.00 0.00 H new ATOM 0 HA SER A 76 80.774 14.025 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 76 82.305 14.449 -10.414 1.00 0.00 H new ATOM 0 HB3 SER A 76 82.399 12.715 -10.654 1.00 0.00 H new ATOM 0 HG SER A 76 80.695 13.684 -11.917 1.00 0.00 H new ATOM 1167 N SER A 77 81.778 10.892 -8.515 1.00 0.00 N ATOM 1168 CA SER A 77 81.260 9.508 -8.338 1.00 0.00 C ATOM 1169 C SER A 77 82.078 8.772 -7.276 1.00 0.00 C ATOM 1170 O SER A 77 83.215 9.107 -7.004 1.00 0.00 O ATOM 1171 CB SER A 77 81.368 8.766 -9.668 1.00 0.00 C ATOM 1172 OG SER A 77 82.725 8.413 -9.895 1.00 0.00 O ATOM 0 H SER A 77 82.792 10.976 -8.585 1.00 0.00 H new ATOM 0 HA SER A 77 80.220 9.549 -8.016 1.00 0.00 H new ATOM 0 HB2 SER A 77 80.745 7.872 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.002 9.395 -10.480 1.00 0.00 H new ATOM 0 HG SER A 77 82.800 7.935 -10.747 1.00 0.00 H new ATOM 1178 N LEU A 78 81.503 7.764 -6.684 1.00 0.00 N ATOM 1179 CA LEU A 78 82.231 6.992 -5.641 1.00 0.00 C ATOM 1180 C LEU A 78 83.431 6.292 -6.264 1.00 0.00 C ATOM 1181 O LEU A 78 84.412 6.018 -5.604 1.00 0.00 O ATOM 1182 CB LEU A 78 81.298 5.949 -5.033 1.00 0.00 C ATOM 1183 CG LEU A 78 80.159 6.662 -4.311 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.167 5.631 -3.774 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.732 7.481 -3.154 1.00 0.00 C ATOM 0 H LEU A 78 80.556 7.440 -6.879 1.00 0.00 H new ATOM 0 HA LEU A 78 82.573 7.675 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.901 5.299 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.846 5.314 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 78 79.643 7.325 -5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.354 6.142 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.762 5.049 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.676 4.965 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.922 7.993 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.247 6.818 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.436 8.217 -3.543 1.00 0.00 H new ATOM 1197 N LYS A 79 83.364 5.992 -7.527 1.00 0.00 N ATOM 1198 CA LYS A 79 84.509 5.304 -8.167 1.00 0.00 C ATOM 1199 C LYS A 79 85.753 6.184 -8.030 1.00 0.00 C ATOM 1200 O LYS A 79 86.815 5.720 -7.675 1.00 0.00 O ATOM 1201 CB LYS A 79 84.196 5.086 -9.644 1.00 0.00 C ATOM 1202 CG LYS A 79 83.068 4.063 -9.778 1.00 0.00 C ATOM 1203 CD LYS A 79 82.766 3.835 -11.259 1.00 0.00 C ATOM 1204 CE LYS A 79 81.627 2.824 -11.405 1.00 0.00 C ATOM 1205 NZ LYS A 79 80.375 3.392 -10.830 1.00 0.00 N ATOM 0 H LYS A 79 82.572 6.192 -8.138 1.00 0.00 H new ATOM 0 HA LYS A 79 84.686 4.341 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 79 83.905 6.028 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.085 4.734 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 79 83.355 3.124 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.175 4.419 -9.264 1.00 0.00 H new ATOM 0 HD2 LYS A 79 82.491 4.777 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 83.657 3.469 -11.769 1.00 0.00 H new ATOM 0 HE2 LYS A 79 81.477 2.579 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.884 1.896 -10.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 79.554 2.883 -11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.391 3.290 -9.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 80.305 4.400 -11.078 1.00 0.00 H new ATOM 1219 N GLU A 80 85.620 7.454 -8.284 1.00 0.00 N ATOM 1220 CA GLU A 80 86.787 8.368 -8.150 1.00 0.00 C ATOM 1221 C GLU A 80 87.259 8.375 -6.699 1.00 0.00 C ATOM 1222 O GLU A 80 88.441 8.430 -6.417 1.00 0.00 O ATOM 1223 CB GLU A 80 86.372 9.778 -8.557 1.00 0.00 C ATOM 1224 CG GLU A 80 86.139 9.816 -10.063 1.00 0.00 C ATOM 1225 CD GLU A 80 85.564 11.178 -10.460 1.00 0.00 C ATOM 1226 OE1 GLU A 80 85.040 11.853 -9.589 1.00 0.00 O ATOM 1227 OE2 GLU A 80 85.656 11.522 -11.628 1.00 0.00 O ATOM 0 H GLU A 80 84.752 7.900 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 80 87.597 8.026 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 80 85.464 10.070 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 80 87.146 10.493 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 80 87.076 9.638 -10.591 1.00 0.00 H new ATOM 0 HG3 GLU A 80 85.453 9.021 -10.355 1.00 0.00 H new ATOM 1234 N LEU A 81 86.346 8.327 -5.771 1.00 0.00 N ATOM 1235 CA LEU A 81 86.748 8.338 -4.342 1.00 0.00 C ATOM 1236 C LEU A 81 87.683 7.160 -4.082 1.00 0.00 C ATOM 1237 O LEU A 81 88.679 7.286 -3.397 1.00 0.00 O ATOM 1238 CB LEU A 81 85.501 8.220 -3.461 1.00 0.00 C ATOM 1239 CG LEU A 81 85.899 8.383 -1.988 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.665 8.713 -1.141 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.529 7.086 -1.469 1.00 0.00 C ATOM 0 H LEU A 81 85.341 8.281 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 81 87.262 9.270 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.773 8.982 -3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.024 7.252 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 81 86.620 9.197 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 81 84.960 8.826 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.219 9.642 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.938 7.905 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.809 7.211 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.810 6.271 -1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.417 6.852 -2.056 1.00 0.00 H new ATOM 1253 N VAL A 82 87.383 6.016 -4.627 1.00 0.00 N ATOM 1254 CA VAL A 82 88.271 4.846 -4.407 1.00 0.00 C ATOM 1255 C VAL A 82 89.654 5.134 -5.021 1.00 0.00 C ATOM 1256 O VAL A 82 90.675 4.893 -4.407 1.00 0.00 O ATOM 1257 CB VAL A 82 87.655 3.609 -5.060 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.611 2.427 -4.918 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.337 3.276 -4.360 1.00 0.00 C ATOM 0 H VAL A 82 86.566 5.842 -5.212 1.00 0.00 H new ATOM 0 HA VAL A 82 88.384 4.664 -3.338 1.00 0.00 H new ATOM 0 HB VAL A 82 87.474 3.806 -6.117 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.171 1.545 -5.384 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.556 2.663 -5.407 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.789 2.228 -3.861 1.00 0.00 H new ATOM 0 HG21 VAL A 82 85.893 2.394 -4.822 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.525 3.077 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.652 4.119 -4.454 1.00 0.00 H new ATOM 1269 N LEU A 83 89.699 5.660 -6.222 1.00 0.00 N ATOM 1270 CA LEU A 83 91.021 5.969 -6.853 1.00 0.00 C ATOM 1271 C LEU A 83 91.756 7.018 -6.016 1.00 0.00 C ATOM 1272 O LEU A 83 92.962 6.976 -5.865 1.00 0.00 O ATOM 1273 CB LEU A 83 90.811 6.517 -8.270 1.00 0.00 C ATOM 1274 CG LEU A 83 90.422 5.373 -9.207 1.00 0.00 C ATOM 1275 CD1 LEU A 83 88.923 5.108 -9.093 1.00 0.00 C ATOM 1276 CD2 LEU A 83 90.767 5.758 -10.648 1.00 0.00 C ATOM 0 H LEU A 83 88.883 5.887 -6.789 1.00 0.00 H new ATOM 0 HA LEU A 83 91.611 5.054 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.031 7.278 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.723 6.997 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 83 90.970 4.472 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 83 88.646 4.292 -9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 83 88.679 4.835 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 83 88.372 6.007 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 83 90.491 4.944 -11.318 1.00 0.00 H new ATOM 0 HD22 LEU A 83 90.219 6.658 -10.925 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.838 5.946 -10.728 1.00 0.00 H new ATOM 1288 N HIS A 84 91.034 7.966 -5.483 1.00 0.00 N ATOM 1289 CA HIS A 84 91.681 9.038 -4.666 1.00 0.00 C ATOM 1290 C HIS A 84 92.420 8.439 -3.459 1.00 0.00 C ATOM 1291 O HIS A 84 93.548 8.799 -3.185 1.00 0.00 O ATOM 1292 CB HIS A 84 90.609 10.005 -4.168 1.00 0.00 C ATOM 1293 CG HIS A 84 91.252 11.111 -3.382 1.00 0.00 C ATOM 1294 ND1 HIS A 84 90.710 11.577 -2.197 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.387 11.856 -3.594 1.00 0.00 C ATOM 1296 CE1 HIS A 84 91.510 12.557 -1.741 1.00 0.00 C ATOM 1297 NE2 HIS A 84 92.548 12.768 -2.554 1.00 0.00 N ATOM 0 H HIS A 84 90.022 8.046 -5.577 1.00 0.00 H new ATOM 0 HA HIS A 84 92.404 9.562 -5.291 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.058 10.419 -5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 84 89.888 9.475 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 84 93.052 11.750 -4.438 1.00 0.00 H new ATOM 0 HE1 HIS A 84 91.334 13.107 -0.828 1.00 0.00 H new ATOM 0 HE2 HIS A 84 93.297 13.450 -2.438 1.00 0.00 H new ATOM 1305 N TYR A 85 91.813 7.540 -2.726 1.00 0.00 N ATOM 1306 CA TYR A 85 92.524 6.958 -1.543 1.00 0.00 C ATOM 1307 C TYR A 85 93.698 6.109 -2.019 1.00 0.00 C ATOM 1308 O TYR A 85 94.685 5.954 -1.330 1.00 0.00 O ATOM 1309 CB TYR A 85 91.577 6.083 -0.718 1.00 0.00 C ATOM 1310 CG TYR A 85 90.648 6.946 0.105 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.910 7.970 -0.501 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.524 6.717 1.484 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.052 8.762 0.269 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.665 7.509 2.252 1.00 0.00 C ATOM 1315 CZ TYR A 85 88.929 8.532 1.644 1.00 0.00 C ATOM 1316 OH TYR A 85 88.080 9.313 2.402 1.00 0.00 O ATOM 0 H TYR A 85 90.870 7.187 -2.890 1.00 0.00 H new ATOM 0 HA TYR A 85 92.882 7.777 -0.920 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.996 5.440 -1.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 92.153 5.429 -0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 85 90.003 8.148 -1.562 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.093 5.928 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.483 9.552 -0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.570 7.331 3.313 1.00 0.00 H new ATOM 0 HH TYR A 85 88.587 9.742 3.123 1.00 0.00 H new ATOM 1326 N GLN A 86 93.601 5.552 -3.189 1.00 0.00 N ATOM 1327 CA GLN A 86 94.711 4.711 -3.704 1.00 0.00 C ATOM 1328 C GLN A 86 95.989 5.551 -3.770 1.00 0.00 C ATOM 1329 O GLN A 86 97.070 5.076 -3.476 1.00 0.00 O ATOM 1330 CB GLN A 86 94.340 4.208 -5.101 1.00 0.00 C ATOM 1331 CG GLN A 86 95.445 3.299 -5.636 1.00 0.00 C ATOM 1332 CD GLN A 86 96.318 4.074 -6.620 1.00 0.00 C ATOM 1333 OE1 GLN A 86 96.853 5.112 -6.292 1.00 0.00 O ATOM 1334 NE2 GLN A 86 96.485 3.602 -7.825 1.00 0.00 N ATOM 0 H GLN A 86 92.799 5.643 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 86 94.879 3.859 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.396 3.664 -5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 86 94.194 5.053 -5.774 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.053 2.926 -4.812 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.008 2.430 -6.129 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.034 2.729 -8.098 1.00 0.00 H new ATOM 0 HE22 GLN A 86 97.067 4.106 -8.494 1.00 0.00 H new ATOM 1343 N HIS A 87 95.878 6.798 -4.142 1.00 0.00 N ATOM 1344 CA HIS A 87 97.095 7.662 -4.208 1.00 0.00 C ATOM 1345 C HIS A 87 97.358 8.271 -2.828 1.00 0.00 C ATOM 1346 O HIS A 87 98.490 8.436 -2.414 1.00 0.00 O ATOM 1347 CB HIS A 87 96.879 8.782 -5.226 1.00 0.00 C ATOM 1348 CG HIS A 87 98.163 9.543 -5.412 1.00 0.00 C ATOM 1349 ND1 HIS A 87 99.288 8.979 -6.001 1.00 0.00 N ATOM 1350 CD2 HIS A 87 98.511 10.833 -5.102 1.00 0.00 C ATOM 1351 CE1 HIS A 87 100.246 9.924 -6.029 1.00 0.00 C ATOM 1352 NE2 HIS A 87 99.826 11.072 -5.492 1.00 0.00 N ATOM 0 H HIS A 87 95.004 7.255 -4.402 1.00 0.00 H new ATOM 0 HA HIS A 87 97.951 7.060 -4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.550 8.365 -6.178 1.00 0.00 H new ATOM 0 HB3 HIS A 87 96.092 9.453 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 87 97.863 11.555 -4.627 1.00 0.00 H new ATOM 0 HE1 HIS A 87 101.235 9.772 -6.436 1.00 0.00 H new ATOM 0 HE2 HIS A 87 100.355 11.938 -5.389 1.00 0.00 H new ATOM 1360 N THR A 88 96.315 8.604 -2.111 1.00 0.00 N ATOM 1361 CA THR A 88 96.488 9.198 -0.760 1.00 0.00 C ATOM 1362 C THR A 88 96.526 8.091 0.286 1.00 0.00 C ATOM 1363 O THR A 88 95.788 7.130 0.226 1.00 0.00 O ATOM 1364 CB THR A 88 95.318 10.137 -0.473 1.00 0.00 C ATOM 1365 OG1 THR A 88 94.129 9.582 -1.014 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.583 11.506 -1.101 1.00 0.00 C ATOM 0 H THR A 88 95.347 8.487 -2.409 1.00 0.00 H new ATOM 0 HA THR A 88 97.423 9.756 -0.722 1.00 0.00 H new ATOM 0 HB THR A 88 95.206 10.259 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.081 9.782 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.745 12.170 -0.892 1.00 0.00 H new ATOM 0 HG22 THR A 88 96.495 11.929 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 88 95.699 11.395 -2.179 1.00 0.00 H new ATOM 1374 N SER A 89 97.394 8.229 1.243 1.00 0.00 N ATOM 1375 CA SER A 89 97.521 7.209 2.312 1.00 0.00 C ATOM 1376 C SER A 89 96.645 7.595 3.504 1.00 0.00 C ATOM 1377 O SER A 89 96.526 8.749 3.858 1.00 0.00 O ATOM 1378 CB SER A 89 98.983 7.134 2.724 1.00 0.00 C ATOM 1379 OG SER A 89 99.724 6.500 1.691 1.00 0.00 O ATOM 0 H SER A 89 98.032 9.020 1.330 1.00 0.00 H new ATOM 0 HA SER A 89 97.190 6.235 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.374 8.135 2.908 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.083 6.577 3.655 1.00 0.00 H new ATOM 0 HG SER A 89 100.668 6.450 1.949 1.00 0.00 H new ATOM 1385 N LEU A 90 96.009 6.633 4.110 1.00 0.00 N ATOM 1386 CA LEU A 90 95.118 6.938 5.264 1.00 0.00 C ATOM 1387 C LEU A 90 95.905 7.582 6.422 1.00 0.00 C ATOM 1388 O LEU A 90 95.423 8.502 7.046 1.00 0.00 O ATOM 1389 CB LEU A 90 94.463 5.641 5.744 1.00 0.00 C ATOM 1390 CG LEU A 90 93.446 5.157 4.704 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.449 3.625 4.657 1.00 0.00 C ATOM 1392 CD2 LEU A 90 92.048 5.648 5.096 1.00 0.00 C ATOM 0 H LEU A 90 96.067 5.647 3.856 1.00 0.00 H new ATOM 0 HA LEU A 90 94.357 7.647 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 90 95.223 4.877 5.905 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.968 5.805 6.701 1.00 0.00 H new ATOM 0 HG LEU A 90 93.714 5.551 3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 90 92.726 3.282 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.443 3.271 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 90 93.181 3.230 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.322 5.306 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 90 91.784 5.251 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 90 92.042 6.737 5.132 1.00 0.00 H new ATOM 1404 N VAL A 91 97.101 7.103 6.715 1.00 0.00 N ATOM 1405 CA VAL A 91 97.920 7.679 7.845 1.00 0.00 C ATOM 1406 C VAL A 91 97.027 8.518 8.757 1.00 0.00 C ATOM 1407 O VAL A 91 96.542 8.052 9.770 1.00 0.00 O ATOM 1408 CB VAL A 91 99.028 8.557 7.261 1.00 0.00 C ATOM 1409 CG1 VAL A 91 99.800 9.252 8.382 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.994 7.680 6.473 1.00 0.00 C ATOM 0 H VAL A 91 97.547 6.333 6.217 1.00 0.00 H new ATOM 0 HA VAL A 91 98.360 6.869 8.427 1.00 0.00 H new ATOM 0 HB VAL A 91 98.579 9.310 6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 91 100.585 9.873 7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 91 99.119 9.876 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 91 100.247 8.502 9.035 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.787 8.299 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 91 100.429 6.932 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.457 7.181 5.666 1.00 0.00 H new ATOM 1420 N GLN A 92 96.792 9.752 8.397 1.00 0.00 N ATOM 1421 CA GLN A 92 95.916 10.624 9.231 1.00 0.00 C ATOM 1422 C GLN A 92 96.669 11.091 10.480 1.00 0.00 C ATOM 1423 O GLN A 92 97.836 10.805 10.660 1.00 0.00 O ATOM 1424 CB GLN A 92 94.670 9.842 9.653 1.00 0.00 C ATOM 1425 CG GLN A 92 93.422 10.693 9.405 1.00 0.00 C ATOM 1426 CD GLN A 92 93.127 10.750 7.904 1.00 0.00 C ATOM 1427 OE1 GLN A 92 93.850 10.184 7.112 1.00 0.00 O ATOM 1428 NE2 GLN A 92 92.086 11.414 7.479 1.00 0.00 N ATOM 0 H GLN A 92 97.170 10.194 7.559 1.00 0.00 H new ATOM 0 HA GLN A 92 95.624 11.495 8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 92 94.605 8.910 9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 92 94.736 9.574 10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 92 92.570 10.270 9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 92 93.573 11.700 9.794 1.00 0.00 H new ATOM 0 HE21 GLN A 92 91.478 11.890 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 92 91.881 11.457 6.481 1.00 0.00 H new ATOM 1437 N HIS A 93 95.995 11.802 11.347 1.00 0.00 N ATOM 1438 CA HIS A 93 96.649 12.294 12.594 1.00 0.00 C ATOM 1439 C HIS A 93 97.146 11.101 13.413 1.00 0.00 C ATOM 1440 O HIS A 93 98.216 11.138 13.991 1.00 0.00 O ATOM 1441 CB HIS A 93 95.637 13.106 13.407 1.00 0.00 C ATOM 1442 CG HIS A 93 95.409 14.427 12.722 1.00 0.00 C ATOM 1443 ND1 HIS A 93 96.341 15.450 12.775 1.00 0.00 N ATOM 1444 CD2 HIS A 93 94.375 14.900 11.949 1.00 0.00 C ATOM 1445 CE1 HIS A 93 95.859 16.476 12.052 1.00 0.00 C ATOM 1446 NE2 HIS A 93 94.663 16.195 11.527 1.00 0.00 N ATOM 0 H HIS A 93 95.015 12.064 11.243 1.00 0.00 H new ATOM 0 HA HIS A 93 97.498 12.929 12.342 1.00 0.00 H new ATOM 0 HB2 HIS A 93 94.698 12.559 13.494 1.00 0.00 H new ATOM 0 HB3 HIS A 93 96.008 13.265 14.419 1.00 0.00 H new ATOM 0 HD2 HIS A 93 93.477 14.351 11.706 1.00 0.00 H new ATOM 0 HE1 HIS A 93 96.376 17.414 11.913 1.00 0.00 H new ATOM 0 HE2 HIS A 93 94.085 16.799 10.943 1.00 0.00 H new ATOM 1454 N ASN A 94 96.393 10.036 13.454 1.00 0.00 N ATOM 1455 CA ASN A 94 96.849 8.847 14.220 1.00 0.00 C ATOM 1456 C ASN A 94 98.260 8.493 13.743 1.00 0.00 C ATOM 1457 O ASN A 94 99.047 7.903 14.458 1.00 0.00 O ATOM 1458 CB ASN A 94 95.898 7.675 13.968 1.00 0.00 C ATOM 1459 CG ASN A 94 96.219 6.548 14.946 1.00 0.00 C ATOM 1460 OD1 ASN A 94 97.026 6.786 15.942 1.00 0.00 O flip ATOM 1461 ND2 ASN A 94 95.735 5.443 14.803 1.00 0.00 N flip ATOM 0 H ASN A 94 95.488 9.940 12.993 1.00 0.00 H new ATOM 0 HA ASN A 94 96.856 9.059 15.289 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.864 7.997 14.092 1.00 0.00 H new ATOM 0 HB3 ASN A 94 96.001 7.322 12.942 1.00 0.00 H new ATOM 0 HD21 ASN A 94 95.104 5.260 14.023 1.00 0.00 H new ATOM 0 HD22 ASN A 94 95.960 4.699 15.463 1.00 0.00 H new ATOM 1468 N ASP A 95 98.574 8.877 12.535 1.00 0.00 N ATOM 1469 CA ASP A 95 99.926 8.612 11.963 1.00 0.00 C ATOM 1470 C ASP A 95 100.199 7.110 11.877 1.00 0.00 C ATOM 1471 O ASP A 95 101.336 6.693 11.786 1.00 0.00 O ATOM 1472 CB ASP A 95 100.991 9.275 12.844 1.00 0.00 C ATOM 1473 CG ASP A 95 100.895 10.793 12.697 1.00 0.00 C ATOM 1474 OD1 ASP A 95 100.393 11.236 11.679 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.323 11.487 13.607 1.00 0.00 O ATOM 0 H ASP A 95 97.939 9.372 11.909 1.00 0.00 H new ATOM 0 HA ASP A 95 99.963 9.028 10.956 1.00 0.00 H new ATOM 0 HB2 ASP A 95 100.847 8.989 13.886 1.00 0.00 H new ATOM 0 HB3 ASP A 95 101.984 8.932 12.554 1.00 0.00 H new ATOM 1480 N SER A 96 99.185 6.285 11.894 1.00 0.00 N ATOM 1481 CA SER A 96 99.453 4.822 11.805 1.00 0.00 C ATOM 1482 C SER A 96 98.582 4.166 10.737 1.00 0.00 C ATOM 1483 O SER A 96 98.576 2.960 10.589 1.00 0.00 O ATOM 1484 CB SER A 96 99.204 4.166 13.160 1.00 0.00 C ATOM 1485 OG SER A 96 100.026 4.792 14.137 1.00 0.00 O ATOM 0 H SER A 96 98.204 6.554 11.964 1.00 0.00 H new ATOM 0 HA SER A 96 100.496 4.683 11.522 1.00 0.00 H new ATOM 0 HB2 SER A 96 98.154 4.260 13.436 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.426 3.100 13.108 1.00 0.00 H new ATOM 0 HG SER A 96 99.690 5.695 14.317 1.00 0.00 H new ATOM 1491 N LEU A 97 97.868 4.934 9.978 1.00 0.00 N ATOM 1492 CA LEU A 97 97.033 4.330 8.915 1.00 0.00 C ATOM 1493 C LEU A 97 97.802 4.445 7.603 1.00 0.00 C ATOM 1494 O LEU A 97 97.312 4.965 6.624 1.00 0.00 O ATOM 1495 CB LEU A 97 95.711 5.093 8.821 1.00 0.00 C ATOM 1496 CG LEU A 97 95.009 5.041 10.179 1.00 0.00 C ATOM 1497 CD1 LEU A 97 93.733 5.883 10.134 1.00 0.00 C ATOM 1498 CD2 LEU A 97 94.651 3.589 10.505 1.00 0.00 C ATOM 0 H LEU A 97 97.825 5.951 10.046 1.00 0.00 H new ATOM 0 HA LEU A 97 96.816 3.284 9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.893 6.128 8.531 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.076 4.653 8.052 1.00 0.00 H new ATOM 0 HG LEU A 97 95.673 5.438 10.947 1.00 0.00 H new ATOM 0 HD11 LEU A 97 93.236 5.843 11.103 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.987 6.917 9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 97 93.065 5.490 9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 97 94.150 3.546 11.472 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.987 3.196 9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.560 2.989 10.540 1.00 0.00 H new ATOM 1510 N ASN A 98 99.016 3.971 7.577 1.00 0.00 N ATOM 1511 CA ASN A 98 99.810 4.087 6.330 1.00 0.00 C ATOM 1512 C ASN A 98 99.344 3.036 5.329 1.00 0.00 C ATOM 1513 O ASN A 98 99.976 2.018 5.138 1.00 0.00 O ATOM 1514 CB ASN A 98 101.292 3.876 6.650 1.00 0.00 C ATOM 1515 CG ASN A 98 102.122 4.134 5.393 1.00 0.00 C ATOM 1516 OD1 ASN A 98 102.860 3.277 4.949 1.00 0.00 O ATOM 1517 ND2 ASN A 98 102.026 5.287 4.793 1.00 0.00 N ATOM 0 H ASN A 98 99.486 3.513 8.358 1.00 0.00 H new ATOM 0 HA ASN A 98 99.671 5.079 5.899 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.603 4.549 7.449 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.458 2.859 7.007 1.00 0.00 H new ATOM 0 HD21 ASN A 98 102.571 5.470 3.950 1.00 0.00 H new ATOM 0 HD22 ASN A 98 101.406 6.006 5.166 1.00 0.00 H new ATOM 1524 N VAL A 99 98.241 3.291 4.677 1.00 0.00 N ATOM 1525 CA VAL A 99 97.724 2.323 3.671 1.00 0.00 C ATOM 1526 C VAL A 99 96.873 3.061 2.644 1.00 0.00 C ATOM 1527 O VAL A 99 96.208 4.034 2.943 1.00 0.00 O ATOM 1528 CB VAL A 99 96.868 1.254 4.354 1.00 0.00 C ATOM 1529 CG1 VAL A 99 96.146 0.404 3.302 1.00 0.00 C ATOM 1530 CG2 VAL A 99 97.761 0.343 5.188 1.00 0.00 C ATOM 0 H VAL A 99 97.675 4.131 4.799 1.00 0.00 H new ATOM 0 HA VAL A 99 98.570 1.844 3.178 1.00 0.00 H new ATOM 0 HB VAL A 99 96.134 1.748 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.540 -0.353 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 99 95.503 1.043 2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 99 96.881 -0.083 2.661 1.00 0.00 H new ATOM 0 HG21 VAL A 99 97.151 -0.418 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 99 98.495 -0.138 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 99 98.277 0.933 5.945 1.00 0.00 H new ATOM 1540 N THR A 100 96.884 2.586 1.437 1.00 0.00 N ATOM 1541 CA THR A 100 96.075 3.225 0.365 1.00 0.00 C ATOM 1542 C THR A 100 95.105 2.192 -0.198 1.00 0.00 C ATOM 1543 O THR A 100 95.364 1.006 -0.161 1.00 0.00 O ATOM 1544 CB THR A 100 96.995 3.703 -0.760 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.589 2.577 -1.389 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.090 4.607 -0.195 1.00 0.00 C ATOM 0 H THR A 100 97.424 1.773 1.141 1.00 0.00 H new ATOM 0 HA THR A 100 95.530 4.075 0.776 1.00 0.00 H new ATOM 0 HB THR A 100 96.410 4.267 -1.486 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.178 2.879 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.739 4.942 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.635 5.473 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.678 4.053 0.536 1.00 0.00 H new ATOM 1554 N LEU A 101 94.001 2.618 -0.732 1.00 0.00 N ATOM 1555 CA LEU A 101 93.045 1.632 -1.304 1.00 0.00 C ATOM 1556 C LEU A 101 93.519 1.276 -2.712 1.00 0.00 C ATOM 1557 O LEU A 101 92.938 1.683 -3.702 1.00 0.00 O ATOM 1558 CB LEU A 101 91.643 2.240 -1.354 1.00 0.00 C ATOM 1559 CG LEU A 101 91.218 2.684 0.051 1.00 0.00 C ATOM 1560 CD1 LEU A 101 89.858 3.379 -0.033 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.120 1.475 0.993 1.00 0.00 C ATOM 0 H LEU A 101 93.718 3.596 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 101 93.006 0.735 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.630 3.092 -2.034 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.934 1.510 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 101 91.965 3.372 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 101 89.550 3.697 0.963 1.00 0.00 H new ATOM 0 HD12 LEU A 101 89.934 4.249 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.120 2.686 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 101 90.817 1.810 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.382 0.772 0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.091 0.984 1.057 1.00 0.00 H new ATOM 1573 N ALA A 102 94.600 0.549 -2.803 1.00 0.00 N ATOM 1574 CA ALA A 102 95.154 0.193 -4.140 1.00 0.00 C ATOM 1575 C ALA A 102 94.926 -1.280 -4.483 1.00 0.00 C ATOM 1576 O ALA A 102 95.033 -1.667 -5.629 1.00 0.00 O ATOM 1577 CB ALA A 102 96.656 0.473 -4.150 1.00 0.00 C ATOM 0 H ALA A 102 95.124 0.186 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 102 94.637 0.798 -4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 102 97.068 0.215 -5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.830 1.530 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 102 97.143 -0.126 -3.380 1.00 0.00 H new ATOM 1583 N TYR A 103 94.637 -2.115 -3.526 1.00 0.00 N ATOM 1584 CA TYR A 103 94.442 -3.551 -3.867 1.00 0.00 C ATOM 1585 C TYR A 103 92.966 -3.939 -3.692 1.00 0.00 C ATOM 1586 O TYR A 103 92.404 -3.786 -2.626 1.00 0.00 O ATOM 1587 CB TYR A 103 95.317 -4.412 -2.947 1.00 0.00 C ATOM 1588 CG TYR A 103 96.778 -4.210 -3.280 1.00 0.00 C ATOM 1589 CD1 TYR A 103 97.370 -4.954 -4.307 1.00 0.00 C ATOM 1590 CD2 TYR A 103 97.543 -3.284 -2.556 1.00 0.00 C ATOM 1591 CE1 TYR A 103 98.723 -4.774 -4.613 1.00 0.00 C ATOM 1592 CE2 TYR A 103 98.899 -3.103 -2.864 1.00 0.00 C ATOM 1593 CZ TYR A 103 99.489 -3.850 -3.893 1.00 0.00 C ATOM 1594 OH TYR A 103 100.825 -3.679 -4.197 1.00 0.00 O ATOM 0 H TYR A 103 94.529 -1.873 -2.541 1.00 0.00 H new ATOM 0 HA TYR A 103 94.728 -3.717 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 103 95.134 -4.147 -1.906 1.00 0.00 H new ATOM 0 HB3 TYR A 103 95.052 -5.463 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 103 96.781 -5.668 -4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 103 97.088 -2.711 -1.762 1.00 0.00 H new ATOM 0 HE1 TYR A 103 99.177 -5.349 -5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 103 99.488 -2.388 -2.309 1.00 0.00 H new ATOM 0 HH TYR A 103 101.211 -3.000 -3.605 1.00 0.00 H new ATOM 1604 N PRO A 104 92.342 -4.457 -4.730 1.00 0.00 N ATOM 1605 CA PRO A 104 90.917 -4.894 -4.672 1.00 0.00 C ATOM 1606 C PRO A 104 90.795 -6.245 -3.959 1.00 0.00 C ATOM 1607 O PRO A 104 91.659 -7.090 -4.081 1.00 0.00 O ATOM 1608 CB PRO A 104 90.518 -5.035 -6.139 1.00 0.00 C ATOM 1609 CG PRO A 104 91.785 -5.302 -6.882 1.00 0.00 C ATOM 1610 CD PRO A 104 92.924 -4.686 -6.066 1.00 0.00 C ATOM 0 HA PRO A 104 90.286 -4.195 -4.123 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.807 -5.850 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 104 90.036 -4.127 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 104 91.938 -6.374 -7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 104 91.746 -4.865 -7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 104 93.783 -5.356 -6.015 1.00 0.00 H new ATOM 0 HD3 PRO A 104 93.272 -3.754 -6.512 1.00 0.00 H new ATOM 1618 N VAL A 105 89.748 -6.472 -3.221 1.00 0.00 N ATOM 1619 CA VAL A 105 89.623 -7.787 -2.530 1.00 0.00 C ATOM 1620 C VAL A 105 89.306 -8.876 -3.562 1.00 0.00 C ATOM 1621 O VAL A 105 89.535 -10.048 -3.338 1.00 0.00 O ATOM 1622 CB VAL A 105 88.509 -7.724 -1.489 1.00 0.00 C ATOM 1623 CG1 VAL A 105 87.162 -7.542 -2.192 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.504 -9.029 -0.676 1.00 0.00 C ATOM 0 H VAL A 105 88.982 -5.816 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 105 90.562 -8.022 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 105 88.677 -6.881 -0.819 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.367 -7.497 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 105 87.174 -6.616 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.985 -8.383 -2.862 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.710 -8.990 0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 105 88.333 -9.873 -1.344 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.465 -9.150 -0.176 1.00 0.00 H new ATOM 1634 N TYR A 106 88.773 -8.493 -4.694 1.00 0.00 N ATOM 1635 CA TYR A 106 88.433 -9.499 -5.740 1.00 0.00 C ATOM 1636 C TYR A 106 89.026 -9.069 -7.084 1.00 0.00 C ATOM 1637 O TYR A 106 88.312 -8.803 -8.029 1.00 0.00 O ATOM 1638 CB TYR A 106 86.910 -9.619 -5.878 1.00 0.00 C ATOM 1639 CG TYR A 106 86.315 -10.248 -4.637 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.516 -11.610 -4.375 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.551 -9.475 -3.754 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.957 -12.192 -3.232 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.991 -10.062 -2.612 1.00 0.00 C ATOM 1644 CZ TYR A 106 85.195 -11.419 -2.351 1.00 0.00 C ATOM 1645 OH TYR A 106 84.642 -11.995 -1.226 1.00 0.00 O ATOM 0 H TYR A 106 88.559 -7.526 -4.938 1.00 0.00 H new ATOM 0 HA TYR A 106 88.848 -10.464 -5.447 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.474 -8.633 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.664 -10.222 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 106 87.102 -12.210 -5.055 1.00 0.00 H new ATOM 0 HD2 TYR A 106 85.393 -8.425 -3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.115 -13.241 -3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.401 -9.465 -1.933 1.00 0.00 H new ATOM 0 HH TYR A 106 84.144 -11.317 -0.722 1.00 0.00 H new ATOM 1655 N ALA A 107 90.324 -9.013 -7.180 1.00 0.00 N ATOM 1656 CA ALA A 107 90.956 -8.612 -8.470 1.00 0.00 C ATOM 1657 C ALA A 107 90.477 -9.562 -9.571 1.00 0.00 C ATOM 1658 O ALA A 107 90.172 -9.154 -10.673 1.00 0.00 O ATOM 1659 CB ALA A 107 92.479 -8.691 -8.334 1.00 0.00 C ATOM 0 H ALA A 107 90.975 -9.227 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 107 90.676 -7.590 -8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.944 -8.398 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.809 -8.019 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.770 -9.712 -8.088 1.00 0.00 H new ATOM 1665 N GLN A 108 90.390 -10.826 -9.270 1.00 0.00 N ATOM 1666 CA GLN A 108 89.910 -11.806 -10.281 1.00 0.00 C ATOM 1667 C GLN A 108 89.354 -13.026 -9.548 1.00 0.00 C ATOM 1668 O GLN A 108 89.789 -14.139 -9.752 1.00 0.00 O ATOM 1669 CB GLN A 108 91.078 -12.221 -11.181 1.00 0.00 C ATOM 1670 CG GLN A 108 90.565 -13.050 -12.364 1.00 0.00 C ATOM 1671 CD GLN A 108 91.744 -13.424 -13.269 1.00 0.00 C ATOM 1672 OE1 GLN A 108 92.740 -12.590 -13.405 1.00 0.00 O flip ATOM 1673 NE2 GLN A 108 91.761 -14.489 -13.854 1.00 0.00 N flip ATOM 0 H GLN A 108 90.632 -11.224 -8.363 1.00 0.00 H new ATOM 0 HA GLN A 108 89.130 -11.362 -10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 108 91.598 -11.335 -11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 108 91.801 -12.801 -10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 108 90.068 -13.951 -12.004 1.00 0.00 H new ATOM 0 HG3 GLN A 108 89.825 -12.482 -12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 108 90.984 -15.141 -13.749 1.00 0.00 H new ATOM 0 HE22 GLN A 108 92.552 -14.731 -14.450 1.00 0.00 H new ATOM 1682 N GLN A 109 88.392 -12.819 -8.688 1.00 0.00 N ATOM 1683 CA GLN A 109 87.797 -13.962 -7.937 1.00 0.00 C ATOM 1684 C GLN A 109 88.877 -14.678 -7.123 1.00 0.00 C ATOM 1685 O GLN A 109 88.815 -15.873 -6.920 1.00 0.00 O ATOM 1686 CB GLN A 109 87.175 -14.951 -8.919 1.00 0.00 C ATOM 1687 CG GLN A 109 86.016 -14.283 -9.657 1.00 0.00 C ATOM 1688 CD GLN A 109 85.365 -15.307 -10.585 1.00 0.00 C ATOM 1689 OE1 GLN A 109 84.271 -15.769 -10.325 1.00 0.00 O ATOM 1690 NE2 GLN A 109 85.997 -15.688 -11.663 1.00 0.00 N ATOM 0 H GLN A 109 87.992 -11.906 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 109 87.032 -13.578 -7.262 1.00 0.00 H new ATOM 0 HB2 GLN A 109 87.926 -15.291 -9.633 1.00 0.00 H new ATOM 0 HB3 GLN A 109 86.820 -15.833 -8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 109 85.285 -13.902 -8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 109 86.377 -13.429 -10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.915 -15.300 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.573 -16.374 -12.288 1.00 0.00 H new ATOM 1699 N ARG A 110 89.865 -13.970 -6.660 1.00 0.00 N ATOM 1700 CA ARG A 110 90.936 -14.633 -5.866 1.00 0.00 C ATOM 1701 C ARG A 110 90.359 -15.087 -4.522 1.00 0.00 C ATOM 1702 O ARG A 110 89.517 -14.427 -3.946 1.00 0.00 O ATOM 1703 CB ARG A 110 92.076 -13.643 -5.632 1.00 0.00 C ATOM 1704 CG ARG A 110 93.280 -14.376 -5.042 1.00 0.00 C ATOM 1705 CD ARG A 110 94.444 -13.395 -4.896 1.00 0.00 C ATOM 1706 NE ARG A 110 95.697 -14.136 -4.541 1.00 0.00 N ATOM 1707 CZ ARG A 110 95.742 -14.964 -3.530 1.00 0.00 C ATOM 1708 NH1 ARG A 110 94.736 -15.067 -2.706 1.00 0.00 N ATOM 1709 NH2 ARG A 110 96.827 -15.656 -3.318 1.00 0.00 N ATOM 0 H ARG A 110 89.979 -12.965 -6.795 1.00 0.00 H new ATOM 0 HA ARG A 110 91.317 -15.499 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 110 92.354 -13.164 -6.571 1.00 0.00 H new ATOM 0 HB3 ARG A 110 91.751 -12.853 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 110 93.023 -14.801 -4.072 1.00 0.00 H new ATOM 0 HG3 ARG A 110 93.567 -15.206 -5.687 1.00 0.00 H new ATOM 0 HD2 ARG A 110 94.587 -12.847 -5.827 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.216 -12.659 -4.125 1.00 0.00 H new ATOM 0 HE ARG A 110 96.536 -13.991 -5.102 1.00 0.00 H new ATOM 0 HH11 ARG A 110 93.901 -14.498 -2.846 1.00 0.00 H new ATOM 0 HH12 ARG A 110 94.784 -15.717 -1.921 1.00 0.00 H new ATOM 0 HH21 ARG A 110 97.630 -15.548 -3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 110 96.873 -16.305 -2.532 1.00 0.00 H new ATOM 1723 N ARG A 111 90.797 -16.210 -4.018 1.00 0.00 N ATOM 1724 CA ARG A 111 90.259 -16.690 -2.712 1.00 0.00 C ATOM 1725 C ARG A 111 90.847 -15.846 -1.582 1.00 0.00 C ATOM 1726 O ARG A 111 90.215 -14.875 -1.204 1.00 0.00 O ATOM 1727 CB ARG A 111 90.642 -18.153 -2.497 1.00 0.00 C ATOM 1728 CG ARG A 111 89.960 -19.017 -3.558 1.00 0.00 C ATOM 1729 CD ARG A 111 90.265 -20.489 -3.284 1.00 0.00 C ATOM 1730 NE ARG A 111 90.747 -21.150 -4.537 1.00 0.00 N ATOM 1731 CZ ARG A 111 90.137 -20.954 -5.676 1.00 0.00 C ATOM 1732 NH1 ARG A 111 89.088 -20.179 -5.734 1.00 0.00 N ATOM 1733 NH2 ARG A 111 90.573 -21.543 -6.759 1.00 0.00 N ATOM 1734 OXT ARG A 111 91.920 -16.188 -1.114 1.00 0.00 O ATOM 0 H ARG A 111 91.498 -16.811 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 111 89.173 -16.599 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 111 91.724 -18.270 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 111 90.342 -18.476 -1.500 1.00 0.00 H new ATOM 0 HG2 ARG A 111 88.883 -18.848 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 111 90.313 -18.739 -4.551 1.00 0.00 H new ATOM 0 HD2 ARG A 111 91.021 -20.574 -2.504 1.00 0.00 H new ATOM 0 HD3 ARG A 111 89.371 -20.993 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 111 91.562 -21.762 -4.502 1.00 0.00 H new ATOM 0 HH11 ARG A 111 88.742 -19.724 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 111 88.614 -20.028 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 111 91.388 -22.154 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 111 90.098 -21.391 -7.649 1.00 0.00 H new TER 1748 ARG A 111