USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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 32 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 35 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4.1!) USER MOD Set 2.1: A 14 HIS : no HD1:sc= -3.06! K(o=-6.2!,f=-1.4) USER MOD Set 2.2: A 84 SER OG : rot -130:sc= -3.17! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.78! C(o=-1.8!,f=-9.5!) USER MOD Single : A 9 GLN : amide:sc=-0.00849 K(o=-0.0085,f=-1.1) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.75) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.191 K(o=-0.19,f=-1.8) USER MOD Single : A 19 GLN : amide:sc= -1 K(o=-1,f=-2.7!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.64) USER MOD Single : A 30 MET CE :methyl -115:sc= -0.826 (180deg=-2.21!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.61 K(o=-1.6,f=-1.1) USER MOD Single : A 50 THR OG1 : rot -83:sc= 0.932! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0328 K(o=-0.033,f=-1.4) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 CYS SG : rot 64:sc= 0.215 USER MOD Single : A 62 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.18) USER MOD Single : A 64 CYS SG : rot 61:sc= -0.774 USER MOD Single : A 65 ASN : amide:sc= -0.18 K(o=-0.18,f=-0.99!) USER MOD Single : A 69 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.33) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.12) USER MOD Single : A 87 MET CE :methyl 163:sc= -1.02 (180deg=-1.38) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.69) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 38:sc= 0.802 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.953 4.813 -25.366 1.00 0.00 N ATOM 2 CA GLY A 1 19.993 5.458 -24.487 1.00 0.00 C ATOM 3 C GLY A 1 19.858 6.946 -24.819 1.00 0.00 C ATOM 4 O GLY A 1 20.551 7.780 -24.239 1.00 0.00 O ATOM 0 H1 GLY A 1 21.026 3.805 -25.120 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.638 4.907 -26.353 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.883 5.265 -25.255 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.023 4.971 -24.583 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.308 5.340 -23.450 1.00 0.00 H new ATOM 8 N SER A 2 18.961 7.232 -25.751 1.00 0.00 N ATOM 9 CA SER A 2 18.727 8.604 -26.168 1.00 0.00 C ATOM 10 C SER A 2 17.646 9.240 -25.291 1.00 0.00 C ATOM 11 O SER A 2 16.714 8.562 -24.860 1.00 0.00 O ATOM 12 CB SER A 2 18.322 8.671 -27.642 1.00 0.00 C ATOM 13 OG SER A 2 18.037 10.004 -28.058 1.00 0.00 O ATOM 0 H SER A 2 18.388 6.537 -26.229 1.00 0.00 H new ATOM 0 HA SER A 2 19.657 9.161 -26.049 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.124 8.263 -28.257 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.445 8.045 -27.806 1.00 0.00 H new ATOM 0 HG SER A 2 17.784 10.004 -29.005 1.00 0.00 H new ATOM 19 N SER A 3 17.806 10.533 -25.054 1.00 0.00 N ATOM 20 CA SER A 3 16.855 11.268 -24.237 1.00 0.00 C ATOM 21 C SER A 3 16.279 12.441 -25.032 1.00 0.00 C ATOM 22 O SER A 3 15.067 12.532 -25.219 1.00 0.00 O ATOM 23 CB SER A 3 17.509 11.770 -22.948 1.00 0.00 C ATOM 24 OG SER A 3 18.257 10.747 -22.295 1.00 0.00 O ATOM 0 H SER A 3 18.580 11.091 -25.413 1.00 0.00 H new ATOM 0 HA SER A 3 16.046 10.592 -23.962 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.166 12.609 -23.178 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.739 12.144 -22.273 1.00 0.00 H new ATOM 0 HG SER A 3 18.660 11.108 -21.478 1.00 0.00 H new ATOM 30 N GLY A 4 17.175 13.310 -25.477 1.00 0.00 N ATOM 31 CA GLY A 4 16.770 14.473 -26.247 1.00 0.00 C ATOM 32 C GLY A 4 16.282 15.596 -25.329 1.00 0.00 C ATOM 33 O GLY A 4 15.269 15.449 -24.647 1.00 0.00 O ATOM 0 H GLY A 4 18.180 13.232 -25.319 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.609 14.827 -26.846 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.977 14.196 -26.941 1.00 0.00 H new ATOM 37 N SER A 5 17.026 16.692 -25.341 1.00 0.00 N ATOM 38 CA SER A 5 16.682 17.839 -24.518 1.00 0.00 C ATOM 39 C SER A 5 17.022 19.135 -25.258 1.00 0.00 C ATOM 40 O SER A 5 18.136 19.644 -25.146 1.00 0.00 O ATOM 41 CB SER A 5 17.409 17.790 -23.173 1.00 0.00 C ATOM 42 OG SER A 5 16.595 18.272 -22.108 1.00 0.00 O ATOM 0 H SER A 5 17.866 16.810 -25.908 1.00 0.00 H new ATOM 0 HA SER A 5 15.610 17.810 -24.322 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.712 16.764 -22.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.320 18.386 -23.231 1.00 0.00 H new ATOM 0 HG SER A 5 17.095 18.223 -21.266 1.00 0.00 H new ATOM 48 N SER A 6 16.041 19.631 -25.997 1.00 0.00 N ATOM 49 CA SER A 6 16.222 20.858 -26.755 1.00 0.00 C ATOM 50 C SER A 6 14.922 21.225 -27.475 1.00 0.00 C ATOM 51 O SER A 6 14.733 20.876 -28.639 1.00 0.00 O ATOM 52 CB SER A 6 17.365 20.719 -27.762 1.00 0.00 C ATOM 53 OG SER A 6 17.863 21.987 -28.182 1.00 0.00 O ATOM 0 H SER A 6 15.118 19.206 -26.087 1.00 0.00 H new ATOM 0 HA SER A 6 16.482 21.655 -26.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.174 20.142 -27.315 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.017 20.160 -28.631 1.00 0.00 H new ATOM 0 HG SER A 6 18.592 21.856 -28.823 1.00 0.00 H new ATOM 59 N GLY A 7 14.060 21.924 -26.751 1.00 0.00 N ATOM 60 CA GLY A 7 12.784 22.342 -27.306 1.00 0.00 C ATOM 61 C GLY A 7 11.756 22.582 -26.198 1.00 0.00 C ATOM 62 O GLY A 7 12.118 22.937 -25.077 1.00 0.00 O ATOM 0 H GLY A 7 14.220 22.211 -25.785 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.918 23.255 -27.887 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.414 21.579 -27.991 1.00 0.00 H new ATOM 66 N ASN A 8 10.495 22.378 -26.550 1.00 0.00 N ATOM 67 CA ASN A 8 9.413 22.568 -25.600 1.00 0.00 C ATOM 68 C ASN A 8 8.141 21.916 -26.145 1.00 0.00 C ATOM 69 O ASN A 8 7.688 22.250 -27.239 1.00 0.00 O ATOM 70 CB ASN A 8 9.126 24.055 -25.381 1.00 0.00 C ATOM 71 CG ASN A 8 7.935 24.251 -24.440 1.00 0.00 C ATOM 72 OD1 ASN A 8 7.189 23.333 -24.142 1.00 0.00 O ATOM 73 ND2 ASN A 8 7.800 25.495 -23.991 1.00 0.00 N ATOM 0 H ASN A 8 10.199 22.083 -27.480 1.00 0.00 H new ATOM 0 HA ASN A 8 9.712 22.116 -24.654 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.008 24.542 -24.964 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.920 24.534 -26.338 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.036 25.728 -23.357 1.00 0.00 H new ATOM 0 HD22 ASN A 8 8.461 26.216 -24.281 1.00 0.00 H new ATOM 80 N GLN A 9 7.601 20.997 -25.358 1.00 0.00 N ATOM 81 CA GLN A 9 6.390 20.295 -25.749 1.00 0.00 C ATOM 82 C GLN A 9 5.500 20.052 -24.528 1.00 0.00 C ATOM 83 O GLN A 9 4.353 20.495 -24.494 1.00 0.00 O ATOM 84 CB GLN A 9 6.722 18.979 -26.455 1.00 0.00 C ATOM 85 CG GLN A 9 5.573 18.539 -27.364 1.00 0.00 C ATOM 86 CD GLN A 9 5.753 19.087 -28.781 1.00 0.00 C ATOM 87 OE1 GLN A 9 6.020 20.259 -28.992 1.00 0.00 O ATOM 88 NE2 GLN A 9 5.594 18.176 -29.737 1.00 0.00 N ATOM 0 H GLN A 9 7.980 20.722 -24.452 1.00 0.00 H new ATOM 0 HA GLN A 9 5.843 20.920 -26.455 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.631 19.098 -27.044 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.921 18.205 -25.714 1.00 0.00 H new ATOM 0 HG2 GLN A 9 5.526 17.450 -27.395 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.626 18.888 -26.953 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.371 17.212 -29.491 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.695 18.442 -30.717 1.00 0.00 H new ATOM 97 N ASN A 10 6.063 19.350 -23.556 1.00 0.00 N ATOM 98 CA ASN A 10 5.335 19.043 -22.336 1.00 0.00 C ATOM 99 C ASN A 10 4.645 20.311 -21.826 1.00 0.00 C ATOM 100 O ASN A 10 5.160 21.414 -22.000 1.00 0.00 O ATOM 101 CB ASN A 10 6.280 18.546 -21.241 1.00 0.00 C ATOM 102 CG ASN A 10 6.225 17.022 -21.119 1.00 0.00 C ATOM 103 OD1 ASN A 10 5.567 16.465 -20.255 1.00 0.00 O ATOM 104 ND2 ASN A 10 6.950 16.380 -22.031 1.00 0.00 N ATOM 0 H ASN A 10 7.015 18.985 -23.588 1.00 0.00 H new ATOM 0 HA ASN A 10 4.607 18.265 -22.565 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.299 18.860 -21.466 1.00 0.00 H new ATOM 0 HB3 ASN A 10 6.009 19.001 -20.288 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.978 15.360 -22.035 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.478 16.907 -22.727 1.00 0.00 H new ATOM 111 N GLN A 11 3.491 20.110 -21.207 1.00 0.00 N ATOM 112 CA GLN A 11 2.726 21.222 -20.671 1.00 0.00 C ATOM 113 C GLN A 11 1.466 20.711 -19.969 1.00 0.00 C ATOM 114 O GLN A 11 1.244 21.002 -18.795 1.00 0.00 O ATOM 115 CB GLN A 11 2.373 22.225 -21.771 1.00 0.00 C ATOM 116 CG GLN A 11 3.084 23.561 -21.545 1.00 0.00 C ATOM 117 CD GLN A 11 2.272 24.464 -20.615 1.00 0.00 C ATOM 118 OE1 GLN A 11 1.084 24.278 -20.408 1.00 0.00 O ATOM 119 NE2 GLN A 11 2.976 25.451 -20.067 1.00 0.00 N ATOM 0 H GLN A 11 3.067 19.193 -21.065 1.00 0.00 H new ATOM 0 HA GLN A 11 3.342 21.741 -19.936 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.655 21.819 -22.742 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.295 22.382 -21.792 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.070 23.384 -21.116 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.237 24.062 -22.501 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.968 25.551 -20.282 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.524 26.108 -19.431 1.00 0.00 H new ATOM 128 N THR A 12 0.675 19.958 -20.718 1.00 0.00 N ATOM 129 CA THR A 12 -0.557 19.404 -20.183 1.00 0.00 C ATOM 130 C THR A 12 -0.249 18.288 -19.182 1.00 0.00 C ATOM 131 O THR A 12 -0.570 18.403 -18.000 1.00 0.00 O ATOM 132 CB THR A 12 -1.419 18.943 -21.360 1.00 0.00 C ATOM 133 OG1 THR A 12 -1.966 20.151 -21.883 1.00 0.00 O ATOM 134 CG2 THR A 12 -2.644 18.143 -20.911 1.00 0.00 C ATOM 0 H THR A 12 0.863 19.718 -21.691 1.00 0.00 H new ATOM 0 HA THR A 12 -1.118 20.154 -19.625 1.00 0.00 H new ATOM 0 HB THR A 12 -0.817 18.335 -22.035 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.538 19.945 -22.652 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.221 17.840 -21.785 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.320 17.257 -20.365 1.00 0.00 H new ATOM 0 HG23 THR A 12 -3.265 18.761 -20.263 1.00 0.00 H new ATOM 142 N GLN A 13 0.370 17.233 -19.693 1.00 0.00 N ATOM 143 CA GLN A 13 0.725 16.098 -18.858 1.00 0.00 C ATOM 144 C GLN A 13 -0.535 15.443 -18.288 1.00 0.00 C ATOM 145 O GLN A 13 -1.575 16.090 -18.169 1.00 0.00 O ATOM 146 CB GLN A 13 1.680 16.517 -17.739 1.00 0.00 C ATOM 147 CG GLN A 13 2.893 15.587 -17.675 1.00 0.00 C ATOM 148 CD GLN A 13 2.631 14.407 -16.737 1.00 0.00 C ATOM 149 OE1 GLN A 13 2.208 14.564 -15.603 1.00 0.00 O ATOM 150 NE2 GLN A 13 2.904 13.220 -17.271 1.00 0.00 N ATOM 0 H GLN A 13 0.634 17.141 -20.674 1.00 0.00 H new ATOM 0 HA GLN A 13 1.243 15.365 -19.477 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.012 17.542 -17.904 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.155 16.502 -16.784 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.125 15.217 -18.674 1.00 0.00 H new ATOM 0 HG3 GLN A 13 3.765 16.144 -17.330 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.256 13.159 -18.227 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.762 12.370 -16.725 1.00 0.00 H new ATOM 159 N HIS A 14 -0.401 14.169 -17.952 1.00 0.00 N ATOM 160 CA HIS A 14 -1.516 13.420 -17.397 1.00 0.00 C ATOM 161 C HIS A 14 -2.591 13.231 -18.469 1.00 0.00 C ATOM 162 O HIS A 14 -3.383 14.137 -18.725 1.00 0.00 O ATOM 163 CB HIS A 14 -2.050 14.097 -16.134 1.00 0.00 C ATOM 164 CG HIS A 14 -2.678 13.144 -15.145 1.00 0.00 C ATOM 165 ND1 HIS A 14 -2.772 13.421 -13.793 1.00 0.00 N ATOM 166 CD2 HIS A 14 -3.244 11.916 -15.327 1.00 0.00 C ATOM 167 CE1 HIS A 14 -3.368 12.399 -13.197 1.00 0.00 C ATOM 168 NE2 HIS A 14 -3.659 11.467 -14.149 1.00 0.00 N ATOM 0 H HIS A 14 0.463 13.636 -18.053 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.178 12.429 -17.092 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.232 14.626 -15.644 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.788 14.846 -16.420 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.338 11.397 -16.270 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.585 12.318 -12.142 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.120 10.572 -13.983 1.00 0.00 H new ATOM 176 N LYS A 15 -2.585 12.049 -19.067 1.00 0.00 N ATOM 177 CA LYS A 15 -3.550 11.730 -20.105 1.00 0.00 C ATOM 178 C LYS A 15 -4.908 11.441 -19.462 1.00 0.00 C ATOM 179 O LYS A 15 -4.977 10.813 -18.406 1.00 0.00 O ATOM 180 CB LYS A 15 -3.032 10.592 -20.986 1.00 0.00 C ATOM 181 CG LYS A 15 -3.084 10.977 -22.466 1.00 0.00 C ATOM 182 CD LYS A 15 -4.361 10.450 -23.125 1.00 0.00 C ATOM 183 CE LYS A 15 -5.223 11.601 -23.648 1.00 0.00 C ATOM 184 NZ LYS A 15 -4.644 12.158 -24.891 1.00 0.00 N ATOM 0 H LYS A 15 -1.927 11.300 -18.852 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.688 12.581 -20.772 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.007 10.348 -20.706 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.630 9.696 -20.818 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.040 12.062 -22.565 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.212 10.574 -22.981 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.102 9.783 -23.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.930 9.863 -22.405 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.236 11.247 -23.838 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.295 12.382 -22.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.241 12.938 -25.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.686 12.514 -24.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.598 11.414 -25.616 1.00 0.00 H new ATOM 198 N GLN A 16 -5.953 11.912 -20.125 1.00 0.00 N ATOM 199 CA GLN A 16 -7.305 11.711 -19.631 1.00 0.00 C ATOM 200 C GLN A 16 -7.505 10.255 -19.207 1.00 0.00 C ATOM 201 O GLN A 16 -7.754 9.389 -20.044 1.00 0.00 O ATOM 202 CB GLN A 16 -8.339 12.123 -20.681 1.00 0.00 C ATOM 203 CG GLN A 16 -9.660 12.523 -20.021 1.00 0.00 C ATOM 204 CD GLN A 16 -9.542 13.888 -19.340 1.00 0.00 C ATOM 205 OE1 GLN A 16 -8.529 14.563 -19.417 1.00 0.00 O ATOM 206 NE2 GLN A 16 -10.631 14.255 -18.670 1.00 0.00 N ATOM 0 H GLN A 16 -5.891 12.432 -21.000 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.449 12.346 -18.757 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.954 12.957 -21.268 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.509 11.298 -21.373 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.450 12.554 -20.771 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.946 11.770 -19.287 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.446 13.642 -18.646 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.651 15.150 -18.180 1.00 0.00 H new ATOM 215 N ARG A 17 -7.387 10.029 -17.906 1.00 0.00 N ATOM 216 CA ARG A 17 -7.552 8.692 -17.361 1.00 0.00 C ATOM 217 C ARG A 17 -8.044 8.766 -15.914 1.00 0.00 C ATOM 218 O ARG A 17 -7.695 9.691 -15.182 1.00 0.00 O ATOM 219 CB ARG A 17 -6.236 7.914 -17.405 1.00 0.00 C ATOM 220 CG ARG A 17 -6.270 6.842 -18.497 1.00 0.00 C ATOM 221 CD ARG A 17 -6.407 5.444 -17.888 1.00 0.00 C ATOM 222 NE ARG A 17 -5.204 4.639 -18.194 1.00 0.00 N ATOM 223 CZ ARG A 17 -5.144 3.305 -18.080 1.00 0.00 C ATOM 224 NH1 ARG A 17 -6.218 2.619 -17.666 1.00 0.00 N ATOM 225 NH2 ARG A 17 -4.009 2.657 -18.379 1.00 0.00 N ATOM 0 H ARG A 17 -7.179 10.749 -17.214 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.289 8.173 -17.973 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.409 8.600 -17.589 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.053 7.447 -16.437 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.104 7.032 -19.172 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.359 6.896 -19.093 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.539 5.520 -16.809 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.295 4.951 -18.284 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.368 5.130 -18.512 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.081 3.112 -17.438 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.172 1.604 -17.579 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.191 3.179 -18.693 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.963 1.642 -18.292 1.00 0.00 H new ATOM 239 N PRO A 18 -8.870 7.754 -15.536 1.00 0.00 N ATOM 240 CA PRO A 18 -9.413 7.695 -14.189 1.00 0.00 C ATOM 241 C PRO A 18 -8.348 7.249 -13.187 1.00 0.00 C ATOM 242 O PRO A 18 -7.587 6.321 -13.456 1.00 0.00 O ATOM 243 CB PRO A 18 -10.585 6.732 -14.280 1.00 0.00 C ATOM 244 CG PRO A 18 -10.370 5.933 -15.555 1.00 0.00 C ATOM 245 CD PRO A 18 -9.305 6.642 -16.376 1.00 0.00 C ATOM 0 HA PRO A 18 -9.742 8.668 -13.825 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.620 6.077 -13.410 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -11.532 7.271 -14.312 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.056 4.916 -15.320 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.299 5.857 -16.119 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.476 5.974 -16.610 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -9.707 6.996 -17.325 1.00 0.00 H new ATOM 253 N GLN A 19 -8.328 7.930 -12.050 1.00 0.00 N ATOM 254 CA GLN A 19 -7.368 7.615 -11.006 1.00 0.00 C ATOM 255 C GLN A 19 -7.718 8.366 -9.719 1.00 0.00 C ATOM 256 O GLN A 19 -8.182 9.504 -9.768 1.00 0.00 O ATOM 257 CB GLN A 19 -5.942 7.935 -11.457 1.00 0.00 C ATOM 258 CG GLN A 19 -4.914 7.280 -10.532 1.00 0.00 C ATOM 259 CD GLN A 19 -4.523 8.223 -9.392 1.00 0.00 C ATOM 260 OE1 GLN A 19 -4.631 9.434 -9.489 1.00 0.00 O ATOM 261 NE2 GLN A 19 -4.064 7.601 -8.309 1.00 0.00 N ATOM 0 H GLN A 19 -8.961 8.698 -11.829 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.418 6.545 -10.804 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.793 7.585 -12.478 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.793 9.015 -11.465 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -5.325 6.358 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.027 7.007 -11.104 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.999 6.583 -8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.777 8.142 -7.493 1.00 0.00 H new ATOM 270 N ALA A 20 -7.483 7.698 -8.600 1.00 0.00 N ATOM 271 CA ALA A 20 -7.767 8.288 -7.303 1.00 0.00 C ATOM 272 C ALA A 20 -9.223 8.759 -7.269 1.00 0.00 C ATOM 273 O ALA A 20 -9.973 8.535 -8.218 1.00 0.00 O ATOM 274 CB ALA A 20 -6.780 9.425 -7.031 1.00 0.00 C ATOM 0 H ALA A 20 -7.099 6.754 -8.564 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.640 7.550 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.994 9.867 -6.058 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.763 9.033 -7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.879 10.186 -7.805 1.00 0.00 H new ATOM 280 N THR A 21 -9.578 9.401 -6.167 1.00 0.00 N ATOM 281 CA THR A 21 -10.931 9.905 -5.997 1.00 0.00 C ATOM 282 C THR A 21 -11.936 8.752 -6.016 1.00 0.00 C ATOM 283 O THR A 21 -12.337 8.256 -4.964 1.00 0.00 O ATOM 284 CB THR A 21 -11.185 10.951 -7.085 1.00 0.00 C ATOM 285 OG1 THR A 21 -10.245 11.983 -6.801 1.00 0.00 O ATOM 286 CG2 THR A 21 -12.546 11.634 -6.934 1.00 0.00 C ATOM 0 H THR A 21 -8.953 9.584 -5.382 1.00 0.00 H new ATOM 0 HA THR A 21 -11.055 10.386 -5.027 1.00 0.00 H new ATOM 0 HB THR A 21 -11.123 10.478 -8.065 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.339 12.702 -7.460 1.00 0.00 H new ATOM 0 HG21 THR A 21 -12.676 12.367 -7.731 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.337 10.887 -6.996 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.596 12.136 -5.968 1.00 0.00 H new ATOM 294 N ALA A 22 -12.315 8.359 -7.223 1.00 0.00 N ATOM 295 CA ALA A 22 -13.265 7.273 -7.393 1.00 0.00 C ATOM 296 C ALA A 22 -12.543 5.936 -7.218 1.00 0.00 C ATOM 297 O ALA A 22 -12.965 5.097 -6.424 1.00 0.00 O ATOM 298 CB ALA A 22 -13.942 7.396 -8.759 1.00 0.00 C ATOM 0 H ALA A 22 -11.981 8.773 -8.093 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.047 7.326 -6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.655 6.581 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.466 8.350 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.188 7.345 -9.545 1.00 0.00 H new ATOM 304 N GLU A 23 -11.466 5.779 -7.974 1.00 0.00 N ATOM 305 CA GLU A 23 -10.680 4.558 -7.912 1.00 0.00 C ATOM 306 C GLU A 23 -10.432 4.159 -6.456 1.00 0.00 C ATOM 307 O GLU A 23 -10.732 3.035 -6.057 1.00 0.00 O ATOM 308 CB GLU A 23 -9.361 4.717 -8.670 1.00 0.00 C ATOM 309 CG GLU A 23 -9.058 3.474 -9.509 1.00 0.00 C ATOM 310 CD GLU A 23 -8.362 3.852 -10.818 1.00 0.00 C ATOM 311 OE1 GLU A 23 -9.095 4.175 -11.778 1.00 0.00 O ATOM 312 OE2 GLU A 23 -7.113 3.810 -10.830 1.00 0.00 O ATOM 0 H GLU A 23 -11.119 6.477 -8.632 1.00 0.00 H new ATOM 0 HA GLU A 23 -11.245 3.760 -8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.412 5.593 -9.317 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.550 4.890 -7.963 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.425 2.792 -8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.985 2.943 -9.726 1.00 0.00 H new ATOM 319 N GLN A 24 -9.886 5.103 -5.703 1.00 0.00 N ATOM 320 CA GLN A 24 -9.594 4.864 -4.299 1.00 0.00 C ATOM 321 C GLN A 24 -10.755 4.122 -3.634 1.00 0.00 C ATOM 322 O GLN A 24 -10.577 3.021 -3.115 1.00 0.00 O ATOM 323 CB GLN A 24 -9.292 6.175 -3.571 1.00 0.00 C ATOM 324 CG GLN A 24 -8.716 5.909 -2.179 1.00 0.00 C ATOM 325 CD GLN A 24 -9.172 6.978 -1.184 1.00 0.00 C ATOM 326 OE1 GLN A 24 -8.472 7.936 -0.899 1.00 0.00 O ATOM 327 NE2 GLN A 24 -10.381 6.762 -0.673 1.00 0.00 N ATOM 0 H GLN A 24 -9.638 6.034 -6.038 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.704 4.238 -4.235 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.585 6.765 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -10.204 6.765 -3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.033 4.925 -1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.627 5.894 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.914 5.939 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.775 7.419 0.001 1.00 0.00 H new ATOM 336 N ILE A 25 -11.919 4.754 -3.672 1.00 0.00 N ATOM 337 CA ILE A 25 -13.109 4.168 -3.079 1.00 0.00 C ATOM 338 C ILE A 25 -13.200 2.694 -3.481 1.00 0.00 C ATOM 339 O ILE A 25 -13.435 1.830 -2.638 1.00 0.00 O ATOM 340 CB ILE A 25 -14.349 4.984 -3.449 1.00 0.00 C ATOM 341 CG1 ILE A 25 -14.278 6.390 -2.850 1.00 0.00 C ATOM 342 CG2 ILE A 25 -15.629 4.251 -3.042 1.00 0.00 C ATOM 343 CD1 ILE A 25 -15.192 7.355 -3.607 1.00 0.00 C ATOM 0 H ILE A 25 -12.063 5.666 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.048 4.199 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.374 5.097 -4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -14.568 6.357 -1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.251 6.753 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -16.496 4.853 -3.316 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.677 3.290 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.627 4.087 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.123 8.347 -3.161 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -14.884 7.404 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -16.222 7.002 -3.549 1.00 0.00 H new ATOM 355 N ARG A 26 -13.009 2.452 -4.770 1.00 0.00 N ATOM 356 CA ARG A 26 -13.067 1.098 -5.294 1.00 0.00 C ATOM 357 C ARG A 26 -11.876 0.282 -4.788 1.00 0.00 C ATOM 358 O ARG A 26 -11.998 -0.918 -4.546 1.00 0.00 O ATOM 359 CB ARG A 26 -13.064 1.099 -6.824 1.00 0.00 C ATOM 360 CG ARG A 26 -14.476 1.309 -7.375 1.00 0.00 C ATOM 361 CD ARG A 26 -15.110 -0.022 -7.781 1.00 0.00 C ATOM 362 NE ARG A 26 -15.643 0.070 -9.158 1.00 0.00 N ATOM 363 CZ ARG A 26 -15.913 -0.990 -9.933 1.00 0.00 C ATOM 364 NH1 ARG A 26 -15.700 -2.229 -9.470 1.00 0.00 N ATOM 365 NH2 ARG A 26 -16.395 -0.811 -11.170 1.00 0.00 N ATOM 0 H ARG A 26 -12.814 3.171 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.995 0.646 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.406 1.888 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.663 0.154 -7.191 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -15.095 1.796 -6.622 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.439 1.976 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.370 -0.820 -7.721 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.912 -0.279 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.816 0.999 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -15.333 -2.365 -8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -15.905 -3.036 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.557 0.132 -11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.600 -1.618 -11.759 1.00 0.00 H new ATOM 379 N LEU A 27 -10.750 0.966 -4.644 1.00 0.00 N ATOM 380 CA LEU A 27 -9.537 0.319 -4.172 1.00 0.00 C ATOM 381 C LEU A 27 -9.754 -0.181 -2.742 1.00 0.00 C ATOM 382 O LEU A 27 -9.728 -1.385 -2.491 1.00 0.00 O ATOM 383 CB LEU A 27 -8.338 1.257 -4.320 1.00 0.00 C ATOM 384 CG LEU A 27 -7.726 1.348 -5.719 1.00 0.00 C ATOM 385 CD1 LEU A 27 -6.477 2.231 -5.715 1.00 0.00 C ATOM 386 CD2 LEU A 27 -7.441 -0.045 -6.285 1.00 0.00 C ATOM 0 H LEU A 27 -10.652 1.961 -4.846 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.308 -0.554 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.644 2.257 -4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.562 0.935 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.453 1.821 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.062 2.279 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.742 3.235 -5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.736 1.809 -5.036 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.006 0.049 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.742 -0.567 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.371 -0.610 -6.347 1.00 0.00 H new ATOM 398 N ALA A 28 -9.965 0.769 -1.843 1.00 0.00 N ATOM 399 CA ALA A 28 -10.186 0.440 -0.445 1.00 0.00 C ATOM 400 C ALA A 28 -11.253 -0.652 -0.346 1.00 0.00 C ATOM 401 O ALA A 28 -11.214 -1.483 0.561 1.00 0.00 O ATOM 402 CB ALA A 28 -10.575 1.706 0.322 1.00 0.00 C ATOM 0 H ALA A 28 -9.988 1.766 -2.055 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.273 0.052 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.741 1.460 1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.773 2.440 0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.489 2.122 -0.102 1.00 0.00 H new ATOM 408 N GLN A 29 -12.181 -0.616 -1.291 1.00 0.00 N ATOM 409 CA GLN A 29 -13.257 -1.593 -1.321 1.00 0.00 C ATOM 410 C GLN A 29 -12.706 -2.979 -1.661 1.00 0.00 C ATOM 411 O GLN A 29 -13.212 -3.989 -1.174 1.00 0.00 O ATOM 412 CB GLN A 29 -14.347 -1.178 -2.311 1.00 0.00 C ATOM 413 CG GLN A 29 -15.246 -2.364 -2.665 1.00 0.00 C ATOM 414 CD GLN A 29 -16.712 -1.934 -2.751 1.00 0.00 C ATOM 415 OE1 GLN A 29 -17.215 -1.184 -1.931 1.00 0.00 O ATOM 416 NE2 GLN A 29 -17.367 -2.448 -3.788 1.00 0.00 N ATOM 0 H GLN A 29 -12.210 0.074 -2.042 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.710 -1.637 -0.330 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.948 -0.377 -1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.889 -0.781 -3.217 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.932 -2.791 -3.617 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.136 -3.146 -1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.886 -3.070 -4.438 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.351 -2.220 -3.934 1.00 0.00 H new ATOM 425 N MET A 30 -11.676 -2.983 -2.494 1.00 0.00 N ATOM 426 CA MET A 30 -11.051 -4.229 -2.905 1.00 0.00 C ATOM 427 C MET A 30 -10.023 -4.693 -1.871 1.00 0.00 C ATOM 428 O MET A 30 -9.934 -5.883 -1.571 1.00 0.00 O ATOM 429 CB MET A 30 -10.362 -4.033 -4.258 1.00 0.00 C ATOM 430 CG MET A 30 -11.389 -3.949 -5.389 1.00 0.00 C ATOM 431 SD MET A 30 -10.574 -3.547 -6.925 1.00 0.00 S ATOM 432 CE MET A 30 -11.679 -2.288 -7.541 1.00 0.00 C ATOM 0 H MET A 30 -11.258 -2.143 -2.896 1.00 0.00 H new ATOM 0 HA MET A 30 -11.825 -4.992 -2.989 1.00 0.00 H new ATOM 0 HB2 MET A 30 -9.764 -3.122 -4.237 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.677 -4.860 -4.445 1.00 0.00 H new ATOM 0 HG2 MET A 30 -11.915 -4.899 -5.485 1.00 0.00 H new ATOM 0 HG3 MET A 30 -12.138 -3.192 -5.156 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.156 -2.639 -8.456 1.00 0.00 H new ATOM 0 HE2 MET A 30 -12.442 -2.076 -6.792 1.00 0.00 H new ATOM 0 HE3 MET A 30 -11.114 -1.380 -7.751 1.00 0.00 H new ATOM 442 N ILE A 31 -9.273 -3.731 -1.356 1.00 0.00 N ATOM 443 CA ILE A 31 -8.255 -4.026 -0.362 1.00 0.00 C ATOM 444 C ILE A 31 -8.914 -4.668 0.861 1.00 0.00 C ATOM 445 O ILE A 31 -8.543 -5.770 1.264 1.00 0.00 O ATOM 446 CB ILE A 31 -7.444 -2.771 -0.035 1.00 0.00 C ATOM 447 CG1 ILE A 31 -6.415 -2.483 -1.130 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.796 -2.880 1.346 1.00 0.00 C ATOM 449 CD1 ILE A 31 -6.562 -1.055 -1.659 1.00 0.00 C ATOM 0 H ILE A 31 -9.350 -2.746 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.538 -4.747 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.127 -1.922 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.409 -2.627 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.541 -3.192 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.226 -1.974 1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.571 -3.002 2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.129 -3.742 1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.819 -0.877 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.561 -0.922 -2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.411 -0.348 -0.844 1.00 0.00 H new ATOM 461 N SER A 32 -9.879 -3.952 1.418 1.00 0.00 N ATOM 462 CA SER A 32 -10.593 -4.437 2.587 1.00 0.00 C ATOM 463 C SER A 32 -10.954 -5.913 2.404 1.00 0.00 C ATOM 464 O SER A 32 -10.668 -6.738 3.270 1.00 0.00 O ATOM 465 CB SER A 32 -11.854 -3.611 2.845 1.00 0.00 C ATOM 466 OG SER A 32 -12.141 -3.496 4.236 1.00 0.00 O ATOM 0 H SER A 32 -10.184 -3.039 1.081 1.00 0.00 H new ATOM 0 HA SER A 32 -9.940 -4.333 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.730 -2.616 2.417 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.700 -4.073 2.337 1.00 0.00 H new ATOM 0 HG SER A 32 -12.952 -2.960 4.359 1.00 0.00 H new ATOM 472 N ASP A 33 -11.576 -6.201 1.270 1.00 0.00 N ATOM 473 CA ASP A 33 -11.979 -7.562 0.962 1.00 0.00 C ATOM 474 C ASP A 33 -10.833 -8.518 1.301 1.00 0.00 C ATOM 475 O ASP A 33 -11.027 -9.495 2.022 1.00 0.00 O ATOM 476 CB ASP A 33 -12.302 -7.718 -0.525 1.00 0.00 C ATOM 477 CG ASP A 33 -13.623 -8.426 -0.829 1.00 0.00 C ATOM 478 OD1 ASP A 33 -14.674 -7.818 -0.533 1.00 0.00 O ATOM 479 OD2 ASP A 33 -13.553 -9.560 -1.352 1.00 0.00 O ATOM 0 H ASP A 33 -11.811 -5.514 0.553 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.868 -7.791 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.324 -6.729 -0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.493 -8.272 -1.001 1.00 0.00 H new ATOM 484 N HIS A 34 -9.664 -8.201 0.764 1.00 0.00 N ATOM 485 CA HIS A 34 -8.486 -9.019 0.999 1.00 0.00 C ATOM 486 C HIS A 34 -7.678 -8.434 2.159 1.00 0.00 C ATOM 487 O HIS A 34 -6.533 -8.023 1.978 1.00 0.00 O ATOM 488 CB HIS A 34 -7.662 -9.168 -0.281 1.00 0.00 C ATOM 489 CG HIS A 34 -8.280 -10.089 -1.306 1.00 0.00 C ATOM 490 ND1 HIS A 34 -8.365 -11.459 -1.127 1.00 0.00 N ATOM 491 CD2 HIS A 34 -8.843 -9.824 -2.519 1.00 0.00 C ATOM 492 CE1 HIS A 34 -8.953 -11.984 -2.192 1.00 0.00 C ATOM 493 NE2 HIS A 34 -9.248 -10.969 -3.054 1.00 0.00 N ATOM 0 H HIS A 34 -9.507 -7.389 0.167 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.790 -10.026 1.284 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.524 -8.184 -0.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.672 -9.542 -0.022 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.943 -8.847 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.162 -13.032 -2.350 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -9.705 -11.073 -3.960 1.00 0.00 H new ATOM 501 N ASN A 35 -8.307 -8.415 3.326 1.00 0.00 N ATOM 502 CA ASN A 35 -7.661 -7.887 4.515 1.00 0.00 C ATOM 503 C ASN A 35 -7.187 -9.048 5.391 1.00 0.00 C ATOM 504 O ASN A 35 -7.583 -10.193 5.178 1.00 0.00 O ATOM 505 CB ASN A 35 -8.632 -7.039 5.339 1.00 0.00 C ATOM 506 CG ASN A 35 -8.486 -5.554 5.002 1.00 0.00 C ATOM 507 OD1 ASN A 35 -7.730 -5.161 4.128 1.00 0.00 O ATOM 508 ND2 ASN A 35 -9.248 -4.754 5.742 1.00 0.00 N ATOM 0 H ASN A 35 -9.257 -8.757 3.473 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.823 -7.268 4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.655 -7.360 5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.445 -7.194 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.222 -3.745 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.859 -5.149 6.457 1.00 0.00 H new ATOM 515 N ASP A 36 -6.345 -8.713 6.358 1.00 0.00 N ATOM 516 CA ASP A 36 -5.813 -9.714 7.267 1.00 0.00 C ATOM 517 C ASP A 36 -5.746 -9.130 8.680 1.00 0.00 C ATOM 518 O ASP A 36 -5.845 -7.917 8.859 1.00 0.00 O ATOM 519 CB ASP A 36 -4.397 -10.130 6.861 1.00 0.00 C ATOM 520 CG ASP A 36 -4.284 -11.531 6.257 1.00 0.00 C ATOM 521 OD1 ASP A 36 -5.352 -12.133 6.014 1.00 0.00 O ATOM 522 OD2 ASP A 36 -3.131 -11.969 6.053 1.00 0.00 O ATOM 0 H ASP A 36 -6.018 -7.762 6.532 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.469 -10.584 7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.015 -9.408 6.140 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.753 -10.076 7.738 1.00 0.00 H new ATOM 527 N ALA A 37 -5.579 -10.020 9.646 1.00 0.00 N ATOM 528 CA ALA A 37 -5.498 -9.608 11.037 1.00 0.00 C ATOM 529 C ALA A 37 -4.172 -8.883 11.274 1.00 0.00 C ATOM 530 O ALA A 37 -4.137 -7.840 11.925 1.00 0.00 O ATOM 531 CB ALA A 37 -5.665 -10.830 11.943 1.00 0.00 C ATOM 0 H ALA A 37 -5.497 -11.025 9.493 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.301 -8.912 11.278 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.604 -10.520 12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.635 -11.291 11.757 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.875 -11.550 11.732 1.00 0.00 H new ATOM 537 N ASP A 38 -3.111 -9.465 10.733 1.00 0.00 N ATOM 538 CA ASP A 38 -1.786 -8.888 10.877 1.00 0.00 C ATOM 539 C ASP A 38 -1.827 -7.416 10.463 1.00 0.00 C ATOM 540 O ASP A 38 -1.643 -6.528 11.294 1.00 0.00 O ATOM 541 CB ASP A 38 -0.773 -9.603 9.980 1.00 0.00 C ATOM 542 CG ASP A 38 -0.660 -11.112 10.208 1.00 0.00 C ATOM 543 OD1 ASP A 38 -0.078 -11.487 11.248 1.00 0.00 O ATOM 544 OD2 ASP A 38 -1.158 -11.857 9.336 1.00 0.00 O ATOM 0 H ASP A 38 -3.143 -10.330 10.194 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.484 -8.995 11.919 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.044 -9.427 8.939 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.208 -9.153 10.134 1.00 0.00 H new ATOM 549 N PHE A 39 -2.071 -7.203 9.178 1.00 0.00 N ATOM 550 CA PHE A 39 -2.139 -5.853 8.643 1.00 0.00 C ATOM 551 C PHE A 39 -3.173 -5.016 9.399 1.00 0.00 C ATOM 552 O PHE A 39 -2.950 -3.835 9.660 1.00 0.00 O ATOM 553 CB PHE A 39 -2.568 -5.973 7.180 1.00 0.00 C ATOM 554 CG PHE A 39 -2.616 -4.638 6.434 1.00 0.00 C ATOM 555 CD1 PHE A 39 -1.498 -4.158 5.826 1.00 0.00 C ATOM 556 CD2 PHE A 39 -3.777 -3.931 6.379 1.00 0.00 C ATOM 557 CE1 PHE A 39 -1.543 -2.919 5.134 1.00 0.00 C ATOM 558 CE2 PHE A 39 -3.821 -2.692 5.687 1.00 0.00 C ATOM 559 CZ PHE A 39 -2.703 -2.212 5.079 1.00 0.00 C ATOM 0 H PHE A 39 -2.224 -7.942 8.492 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.171 -5.363 8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.879 -6.641 6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.554 -6.437 7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.576 -4.719 5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.665 -4.312 6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.655 -2.538 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.743 -2.130 5.643 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.737 -1.270 4.553 1.00 0.00 H new ATOM 569 N GLU A 40 -4.282 -5.660 9.729 1.00 0.00 N ATOM 570 CA GLU A 40 -5.351 -4.990 10.449 1.00 0.00 C ATOM 571 C GLU A 40 -4.814 -4.368 11.739 1.00 0.00 C ATOM 572 O GLU A 40 -4.929 -3.161 11.946 1.00 0.00 O ATOM 573 CB GLU A 40 -6.503 -5.953 10.743 1.00 0.00 C ATOM 574 CG GLU A 40 -7.484 -6.010 9.570 1.00 0.00 C ATOM 575 CD GLU A 40 -8.576 -4.948 9.717 1.00 0.00 C ATOM 576 OE1 GLU A 40 -8.973 -4.699 10.875 1.00 0.00 O ATOM 577 OE2 GLU A 40 -8.988 -4.410 8.667 1.00 0.00 O ATOM 0 H GLU A 40 -4.464 -6.640 9.511 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.741 -4.191 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.107 -6.949 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.027 -5.635 11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.947 -5.857 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.938 -6.999 9.519 1.00 0.00 H new ATOM 584 N GLU A 41 -4.237 -5.220 12.574 1.00 0.00 N ATOM 585 CA GLU A 41 -3.681 -4.770 13.838 1.00 0.00 C ATOM 586 C GLU A 41 -2.686 -3.632 13.605 1.00 0.00 C ATOM 587 O GLU A 41 -2.510 -2.769 14.464 1.00 0.00 O ATOM 588 CB GLU A 41 -3.023 -5.927 14.592 1.00 0.00 C ATOM 589 CG GLU A 41 -3.753 -6.211 15.907 1.00 0.00 C ATOM 590 CD GLU A 41 -3.056 -5.520 17.080 1.00 0.00 C ATOM 591 OE1 GLU A 41 -1.812 -5.411 17.017 1.00 0.00 O ATOM 592 OE2 GLU A 41 -3.782 -5.117 18.014 1.00 0.00 O ATOM 0 H GLU A 41 -4.143 -6.220 12.399 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.496 -4.394 14.457 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.028 -6.821 13.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.980 -5.686 14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.784 -5.865 15.837 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.789 -7.286 16.083 1.00 0.00 H new ATOM 599 N LYS A 42 -2.060 -3.666 12.437 1.00 0.00 N ATOM 600 CA LYS A 42 -1.087 -2.648 12.080 1.00 0.00 C ATOM 601 C LYS A 42 -1.816 -1.342 11.758 1.00 0.00 C ATOM 602 O LYS A 42 -1.489 -0.292 12.310 1.00 0.00 O ATOM 603 CB LYS A 42 -0.184 -3.143 10.948 1.00 0.00 C ATOM 604 CG LYS A 42 0.802 -4.198 11.455 1.00 0.00 C ATOM 605 CD LYS A 42 2.056 -4.242 10.579 1.00 0.00 C ATOM 606 CE LYS A 42 3.151 -5.087 11.232 1.00 0.00 C ATOM 607 NZ LYS A 42 4.187 -4.217 11.834 1.00 0.00 N ATOM 0 H LYS A 42 -2.208 -4.383 11.726 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.423 -2.444 12.920 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.794 -3.564 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.364 -2.303 10.521 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.081 -3.975 12.485 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.322 -5.177 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.807 -4.655 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.424 -3.229 10.413 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.716 -5.728 11.999 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.605 -5.742 10.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.923 -4.806 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.614 -3.623 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.752 -3.610 12.558 1.00 0.00 H new ATOM 621 N VAL A 43 -2.789 -1.449 10.866 1.00 0.00 N ATOM 622 CA VAL A 43 -3.567 -0.289 10.464 1.00 0.00 C ATOM 623 C VAL A 43 -3.943 0.522 11.705 1.00 0.00 C ATOM 624 O VAL A 43 -3.766 1.739 11.732 1.00 0.00 O ATOM 625 CB VAL A 43 -4.783 -0.732 9.648 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.712 0.450 9.362 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.353 -1.418 8.350 1.00 0.00 C ATOM 0 H VAL A 43 -3.057 -2.321 10.410 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.978 0.361 9.817 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.338 -1.458 10.242 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.568 0.108 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.059 0.876 10.303 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.171 1.210 8.798 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.237 -1.723 7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.764 -0.725 7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.752 -2.296 8.585 1.00 0.00 H new ATOM 637 N LYS A 44 -4.454 -0.184 12.702 1.00 0.00 N ATOM 638 CA LYS A 44 -4.856 0.456 13.943 1.00 0.00 C ATOM 639 C LYS A 44 -3.641 1.132 14.581 1.00 0.00 C ATOM 640 O LYS A 44 -3.697 2.307 14.939 1.00 0.00 O ATOM 641 CB LYS A 44 -5.553 -0.549 14.863 1.00 0.00 C ATOM 642 CG LYS A 44 -7.049 -0.632 14.550 1.00 0.00 C ATOM 643 CD LYS A 44 -7.768 -1.542 15.548 1.00 0.00 C ATOM 644 CE LYS A 44 -9.046 -2.122 14.939 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.098 -3.587 15.143 1.00 0.00 N ATOM 0 H LYS A 44 -4.599 -1.193 12.676 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.590 1.238 13.747 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.098 -1.532 14.745 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.411 -0.255 15.903 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.487 0.366 14.581 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.192 -1.011 13.538 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.105 -2.352 15.850 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.013 -0.978 16.448 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.918 -1.654 15.395 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.084 -1.896 13.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.971 -3.965 14.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.275 -4.030 14.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.084 -3.796 16.162 1.00 0.00 H new ATOM 659 N GLN A 45 -2.570 0.361 14.702 1.00 0.00 N ATOM 660 CA GLN A 45 -1.343 0.870 15.290 1.00 0.00 C ATOM 661 C GLN A 45 -0.955 2.199 14.639 1.00 0.00 C ATOM 662 O GLN A 45 -0.490 3.114 15.317 1.00 0.00 O ATOM 663 CB GLN A 45 -0.211 -0.151 15.168 1.00 0.00 C ATOM 664 CG GLN A 45 0.101 -0.788 16.523 1.00 0.00 C ATOM 665 CD GLN A 45 1.125 0.044 17.298 1.00 0.00 C ATOM 666 OE1 GLN A 45 0.790 0.943 18.052 1.00 0.00 O ATOM 667 NE2 GLN A 45 2.388 -0.303 17.070 1.00 0.00 N ATOM 0 H GLN A 45 -2.527 -0.613 14.402 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.517 1.044 16.352 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.490 -0.926 14.454 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.682 0.336 14.777 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.816 -0.878 17.106 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.485 -1.797 16.374 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.599 -1.066 16.426 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.146 0.193 17.539 1.00 0.00 H new ATOM 676 N LEU A 46 -1.160 2.264 13.332 1.00 0.00 N ATOM 677 CA LEU A 46 -0.837 3.465 12.581 1.00 0.00 C ATOM 678 C LEU A 46 -1.681 4.630 13.105 1.00 0.00 C ATOM 679 O LEU A 46 -1.180 5.742 13.263 1.00 0.00 O ATOM 680 CB LEU A 46 -0.995 3.218 11.080 1.00 0.00 C ATOM 681 CG LEU A 46 0.198 2.564 10.379 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.164 2.152 8.951 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.425 3.477 10.419 1.00 0.00 C ATOM 0 H LEU A 46 -1.546 1.503 12.773 1.00 0.00 H new ATOM 0 HA LEU A 46 0.209 3.736 12.727 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.872 2.589 10.926 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.198 4.172 10.594 1.00 0.00 H new ATOM 0 HG LEU A 46 0.456 1.654 10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.701 1.690 8.475 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.988 1.439 8.976 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.463 3.033 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.259 2.989 9.914 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.196 4.416 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.696 3.677 11.456 1.00 0.00 H new ATOM 695 N ILE A 47 -2.947 4.334 13.358 1.00 0.00 N ATOM 696 CA ILE A 47 -3.865 5.343 13.861 1.00 0.00 C ATOM 697 C ILE A 47 -3.408 5.796 15.249 1.00 0.00 C ATOM 698 O ILE A 47 -3.120 6.973 15.458 1.00 0.00 O ATOM 699 CB ILE A 47 -5.303 4.823 13.826 1.00 0.00 C ATOM 700 CG1 ILE A 47 -5.912 4.987 12.431 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.155 5.494 14.905 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.263 4.275 12.336 1.00 0.00 C ATOM 0 H ILE A 47 -3.359 3.411 13.224 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.853 6.223 13.219 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.285 3.756 14.047 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.039 6.046 12.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.230 4.583 11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.173 5.106 14.858 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.731 5.283 15.887 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.169 6.571 14.740 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.674 4.407 11.335 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.129 3.212 12.536 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.950 4.698 13.069 1.00 0.00 H new ATOM 714 N ASP A 48 -3.357 4.837 16.162 1.00 0.00 N ATOM 715 CA ASP A 48 -2.940 5.123 17.524 1.00 0.00 C ATOM 716 C ASP A 48 -1.579 5.820 17.501 1.00 0.00 C ATOM 717 O ASP A 48 -1.334 6.738 18.283 1.00 0.00 O ATOM 718 CB ASP A 48 -2.798 3.835 18.338 1.00 0.00 C ATOM 719 CG ASP A 48 -3.857 3.636 19.424 1.00 0.00 C ATOM 720 OD1 ASP A 48 -5.001 3.303 19.047 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.498 3.822 20.607 1.00 0.00 O ATOM 0 H ASP A 48 -3.597 3.862 15.985 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.698 5.758 17.982 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.835 2.986 17.656 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.813 3.825 18.806 1.00 0.00 H new ATOM 726 N ILE A 49 -0.728 5.359 16.596 1.00 0.00 N ATOM 727 CA ILE A 49 0.602 5.927 16.460 1.00 0.00 C ATOM 728 C ILE A 49 0.489 7.363 15.945 1.00 0.00 C ATOM 729 O ILE A 49 0.764 8.313 16.677 1.00 0.00 O ATOM 730 CB ILE A 49 1.482 5.029 15.589 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.844 3.736 16.324 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.724 5.780 15.105 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.236 2.635 15.337 1.00 0.00 C ATOM 0 H ILE A 49 -0.934 4.598 15.949 1.00 0.00 H new ATOM 0 HA ILE A 49 1.097 5.974 17.430 1.00 0.00 H new ATOM 0 HB ILE A 49 0.911 4.747 14.704 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.669 3.923 17.012 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.997 3.406 16.925 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.332 5.118 14.488 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.420 6.646 14.517 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.307 6.112 15.964 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.488 1.728 15.886 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.401 2.433 14.666 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.099 2.959 14.755 1.00 0.00 H new ATOM 745 N THR A 50 0.082 7.477 14.689 1.00 0.00 N ATOM 746 CA THR A 50 -0.071 8.781 14.067 1.00 0.00 C ATOM 747 C THR A 50 -1.442 9.373 14.401 1.00 0.00 C ATOM 748 O THR A 50 -1.536 10.349 15.145 1.00 0.00 O ATOM 749 CB THR A 50 0.171 8.620 12.565 1.00 0.00 C ATOM 750 OG1 THR A 50 -0.954 7.875 12.110 1.00 0.00 O ATOM 751 CG2 THR A 50 1.367 7.715 12.259 1.00 0.00 C ATOM 0 H THR A 50 -0.146 6.687 14.085 1.00 0.00 H new ATOM 0 HA THR A 50 0.659 9.492 14.454 1.00 0.00 H new ATOM 0 HB THR A 50 0.333 9.600 12.116 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.801 6.921 12.272 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.495 7.634 11.180 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.268 8.141 12.701 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.191 6.725 12.679 1.00 0.00 H new ATOM 759 N GLY A 51 -2.470 8.759 13.836 1.00 0.00 N ATOM 760 CA GLY A 51 -3.831 9.213 14.064 1.00 0.00 C ATOM 761 C GLY A 51 -4.437 9.796 12.786 1.00 0.00 C ATOM 762 O GLY A 51 -5.368 10.597 12.845 1.00 0.00 O ATOM 0 H GLY A 51 -2.388 7.950 13.220 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.442 8.381 14.413 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.839 9.967 14.851 1.00 0.00 H new ATOM 766 N LYS A 52 -3.882 9.372 11.660 1.00 0.00 N ATOM 767 CA LYS A 52 -4.356 9.842 10.369 1.00 0.00 C ATOM 768 C LYS A 52 -5.627 9.081 9.989 1.00 0.00 C ATOM 769 O LYS A 52 -6.087 8.221 10.738 1.00 0.00 O ATOM 770 CB LYS A 52 -3.244 9.744 9.322 1.00 0.00 C ATOM 771 CG LYS A 52 -2.025 10.569 9.738 1.00 0.00 C ATOM 772 CD LYS A 52 -2.277 12.064 9.527 1.00 0.00 C ATOM 773 CE LYS A 52 -1.009 12.770 9.043 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.341 13.785 8.018 1.00 0.00 N ATOM 0 H LYS A 52 -3.109 8.708 11.615 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.620 10.898 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.954 8.701 9.191 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.614 10.096 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.794 10.380 10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.156 10.258 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.076 12.203 8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.615 12.515 10.460 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.506 13.246 9.885 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.314 12.039 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.470 14.255 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.801 13.323 7.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.986 14.491 8.425 1.00 0.00 H new ATOM 788 N ASN A 53 -6.159 9.425 8.825 1.00 0.00 N ATOM 789 CA ASN A 53 -7.369 8.784 8.336 1.00 0.00 C ATOM 790 C ASN A 53 -7.106 7.290 8.141 1.00 0.00 C ATOM 791 O ASN A 53 -6.223 6.906 7.375 1.00 0.00 O ATOM 792 CB ASN A 53 -7.796 9.370 6.989 1.00 0.00 C ATOM 793 CG ASN A 53 -8.106 10.863 7.113 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.115 11.434 8.191 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.360 11.461 5.953 1.00 0.00 N ATOM 0 H ASN A 53 -5.775 10.139 8.206 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.159 8.951 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.004 9.219 6.256 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.676 8.842 6.621 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.579 12.457 5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.336 10.924 5.086 1.00 0.00 H new ATOM 802 N GLN A 54 -7.889 6.487 8.846 1.00 0.00 N ATOM 803 CA GLN A 54 -7.752 5.043 8.759 1.00 0.00 C ATOM 804 C GLN A 54 -7.463 4.622 7.317 1.00 0.00 C ATOM 805 O GLN A 54 -6.427 4.022 7.037 1.00 0.00 O ATOM 806 CB GLN A 54 -9.001 4.340 9.296 1.00 0.00 C ATOM 807 CG GLN A 54 -8.744 2.846 9.501 1.00 0.00 C ATOM 808 CD GLN A 54 -10.053 2.094 9.751 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.516 1.957 10.872 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.622 1.616 8.648 1.00 0.00 N ATOM 0 H GLN A 54 -8.620 6.809 9.480 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.909 4.740 9.380 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.300 4.794 10.241 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.828 4.478 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.246 2.435 8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.070 2.702 10.346 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.181 1.766 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.499 1.099 8.710 1.00 0.00 H new ATOM 819 N ASP A 55 -8.399 4.954 6.439 1.00 0.00 N ATOM 820 CA ASP A 55 -8.258 4.619 5.032 1.00 0.00 C ATOM 821 C ASP A 55 -6.826 4.915 4.583 1.00 0.00 C ATOM 822 O ASP A 55 -6.124 4.025 4.104 1.00 0.00 O ATOM 823 CB ASP A 55 -9.207 5.453 4.169 1.00 0.00 C ATOM 824 CG ASP A 55 -10.473 4.725 3.712 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.290 4.396 4.599 1.00 0.00 O ATOM 826 OD2 ASP A 55 -10.595 4.515 2.486 1.00 0.00 O ATOM 0 H ASP A 55 -9.258 5.451 6.675 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.497 3.562 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.499 6.341 4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.665 5.797 3.288 1.00 0.00 H new ATOM 831 N GLU A 56 -6.434 6.170 4.752 1.00 0.00 N ATOM 832 CA GLU A 56 -5.099 6.595 4.369 1.00 0.00 C ATOM 833 C GLU A 56 -4.054 5.622 4.919 1.00 0.00 C ATOM 834 O GLU A 56 -3.136 5.222 4.204 1.00 0.00 O ATOM 835 CB GLU A 56 -4.821 8.023 4.844 1.00 0.00 C ATOM 836 CG GLU A 56 -5.625 9.038 4.030 1.00 0.00 C ATOM 837 CD GLU A 56 -4.860 9.464 2.775 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.679 8.593 1.897 1.00 0.00 O ATOM 839 OE2 GLU A 56 -4.473 10.652 2.722 1.00 0.00 O ATOM 0 H GLU A 56 -7.018 6.906 5.149 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.035 6.590 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.076 8.115 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.757 8.240 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.584 8.604 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.840 9.913 4.644 1.00 0.00 H new ATOM 846 N CYS A 57 -4.229 5.268 6.184 1.00 0.00 N ATOM 847 CA CYS A 57 -3.313 4.349 6.837 1.00 0.00 C ATOM 848 C CYS A 57 -3.270 3.054 6.024 1.00 0.00 C ATOM 849 O CYS A 57 -2.195 2.585 5.653 1.00 0.00 O ATOM 850 CB CYS A 57 -3.708 4.095 8.293 1.00 0.00 C ATOM 851 SG CYS A 57 -3.713 5.671 9.224 1.00 0.00 S ATOM 0 H CYS A 57 -4.992 5.601 6.774 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.316 4.789 6.871 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.695 3.635 8.336 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.010 3.395 8.751 1.00 0.00 H new ATOM 0 HG CYS A 57 -4.630 6.456 8.743 1.00 0.00 H new ATOM 857 N VAL A 58 -4.452 2.512 5.770 1.00 0.00 N ATOM 858 CA VAL A 58 -4.563 1.281 5.007 1.00 0.00 C ATOM 859 C VAL A 58 -3.797 1.430 3.691 1.00 0.00 C ATOM 860 O VAL A 58 -3.089 0.516 3.274 1.00 0.00 O ATOM 861 CB VAL A 58 -6.037 0.922 4.804 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.183 -0.295 3.889 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.733 0.687 6.146 1.00 0.00 C ATOM 0 H VAL A 58 -5.342 2.903 6.079 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.113 0.452 5.553 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.525 1.767 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.240 -0.529 3.761 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.740 -0.075 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.674 -1.149 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.779 0.434 5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.243 -0.133 6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.674 1.592 6.750 1.00 0.00 H new ATOM 873 N ILE A 59 -3.967 2.590 3.073 1.00 0.00 N ATOM 874 CA ILE A 59 -3.300 2.871 1.813 1.00 0.00 C ATOM 875 C ILE A 59 -1.786 2.875 2.032 1.00 0.00 C ATOM 876 O ILE A 59 -1.056 2.147 1.361 1.00 0.00 O ATOM 877 CB ILE A 59 -3.837 4.166 1.200 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.293 4.002 0.761 1.00 0.00 C ATOM 879 CG2 ILE A 59 -2.942 4.643 0.055 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.104 5.262 1.070 1.00 0.00 C ATOM 0 H ILE A 59 -4.557 3.346 3.421 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.515 2.088 1.085 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.818 4.941 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.333 3.793 -0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.736 3.146 1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.346 5.565 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.936 4.826 0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.905 3.878 -0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.135 5.119 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.082 5.455 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.673 6.111 0.540 1.00 0.00 H new ATOM 892 N ALA A 60 -1.358 3.704 2.973 1.00 0.00 N ATOM 893 CA ALA A 60 0.056 3.813 3.288 1.00 0.00 C ATOM 894 C ALA A 60 0.613 2.423 3.599 1.00 0.00 C ATOM 895 O ALA A 60 1.436 1.898 2.850 1.00 0.00 O ATOM 896 CB ALA A 60 0.246 4.791 4.450 1.00 0.00 C ATOM 0 H ALA A 60 -1.966 4.307 3.528 1.00 0.00 H new ATOM 0 HA ALA A 60 0.610 4.207 2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.307 4.873 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.140 5.771 4.168 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.294 4.427 5.324 1.00 0.00 H new ATOM 902 N LEU A 61 0.142 1.865 4.705 1.00 0.00 N ATOM 903 CA LEU A 61 0.583 0.546 5.124 1.00 0.00 C ATOM 904 C LEU A 61 0.606 -0.388 3.912 1.00 0.00 C ATOM 905 O LEU A 61 1.652 -0.937 3.567 1.00 0.00 O ATOM 906 CB LEU A 61 -0.281 0.034 6.278 1.00 0.00 C ATOM 907 CG LEU A 61 0.311 -1.112 7.102 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.640 -0.701 7.738 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.692 -1.614 8.143 1.00 0.00 C ATOM 0 H LEU A 61 -0.541 2.303 5.324 1.00 0.00 H new ATOM 0 HA LEU A 61 1.600 0.590 5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.488 0.868 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.238 -0.294 5.872 1.00 0.00 H new ATOM 0 HG LEU A 61 0.520 -1.944 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.039 -1.533 8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.349 -0.431 6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.480 0.154 8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.246 -2.428 8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.955 -0.799 8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.590 -1.973 7.640 1.00 0.00 H new ATOM 921 N HIS A 62 -0.559 -0.540 3.300 1.00 0.00 N ATOM 922 CA HIS A 62 -0.685 -1.398 2.134 1.00 0.00 C ATOM 923 C HIS A 62 0.412 -1.056 1.124 1.00 0.00 C ATOM 924 O HIS A 62 1.093 -1.946 0.617 1.00 0.00 O ATOM 925 CB HIS A 62 -2.091 -1.301 1.538 1.00 0.00 C ATOM 926 CG HIS A 62 -2.266 -2.070 0.250 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.917 -3.291 0.189 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.871 -1.780 -1.022 1.00 0.00 C ATOM 929 CE1 HIS A 62 -2.906 -3.707 -1.069 1.00 0.00 C ATOM 930 NE2 HIS A 62 -2.258 -2.769 -1.818 1.00 0.00 N ATOM 0 H HIS A 62 -1.424 -0.084 3.589 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.548 -2.439 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.811 -1.669 2.269 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.327 -0.252 1.358 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.334 -0.895 -1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.335 -4.627 -1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -2.097 -2.819 -2.824 1.00 0.00 H new ATOM 938 N ASP A 63 0.549 0.235 0.861 1.00 0.00 N ATOM 939 CA ASP A 63 1.551 0.706 -0.079 1.00 0.00 C ATOM 940 C ASP A 63 2.940 0.298 0.416 1.00 0.00 C ATOM 941 O ASP A 63 3.739 -0.246 -0.344 1.00 0.00 O ATOM 942 CB ASP A 63 1.521 2.231 -0.200 1.00 0.00 C ATOM 943 CG ASP A 63 2.274 2.799 -1.404 1.00 0.00 C ATOM 944 OD1 ASP A 63 2.958 1.997 -2.077 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.149 4.023 -1.625 1.00 0.00 O ATOM 0 H ASP A 63 -0.018 0.970 1.283 1.00 0.00 H new ATOM 0 HA ASP A 63 1.335 0.264 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.482 2.556 -0.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.942 2.661 0.709 1.00 0.00 H new ATOM 950 N CYS A 64 3.185 0.578 1.688 1.00 0.00 N ATOM 951 CA CYS A 64 4.464 0.248 2.294 1.00 0.00 C ATOM 952 C CYS A 64 4.555 -1.274 2.423 1.00 0.00 C ATOM 953 O CYS A 64 5.611 -1.810 2.755 1.00 0.00 O ATOM 954 CB CYS A 64 4.648 0.947 3.642 1.00 0.00 C ATOM 955 SG CYS A 64 4.350 2.743 3.462 1.00 0.00 S ATOM 0 H CYS A 64 2.520 1.030 2.315 1.00 0.00 H new ATOM 0 HA CYS A 64 5.274 0.607 1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 64 3.959 0.528 4.375 1.00 0.00 H new ATOM 0 HB3 CYS A 64 5.657 0.773 4.016 1.00 0.00 H new ATOM 0 HG CYS A 64 3.130 2.942 3.059 1.00 0.00 H new ATOM 961 N ASN A 65 3.434 -1.927 2.154 1.00 0.00 N ATOM 962 CA ASN A 65 3.374 -3.377 2.236 1.00 0.00 C ATOM 963 C ASN A 65 3.539 -3.808 3.694 1.00 0.00 C ATOM 964 O ASN A 65 4.608 -4.270 4.092 1.00 0.00 O ATOM 965 CB ASN A 65 4.499 -4.021 1.423 1.00 0.00 C ATOM 966 CG ASN A 65 3.957 -4.637 0.131 1.00 0.00 C ATOM 967 OD1 ASN A 65 2.893 -4.291 -0.354 1.00 0.00 O ATOM 968 ND2 ASN A 65 4.748 -5.568 -0.397 1.00 0.00 N ATOM 0 H ASN A 65 2.560 -1.479 1.879 1.00 0.00 H new ATOM 0 HA ASN A 65 2.411 -3.698 1.838 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.255 -3.273 1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.989 -4.790 2.019 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.476 -6.039 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.627 -5.810 0.061 1.00 0.00 H new ATOM 975 N GLY A 66 2.465 -3.642 4.452 1.00 0.00 N ATOM 976 CA GLY A 66 2.477 -4.008 5.858 1.00 0.00 C ATOM 977 C GLY A 66 3.712 -3.443 6.561 1.00 0.00 C ATOM 978 O GLY A 66 4.400 -4.159 7.287 1.00 0.00 O ATOM 0 H GLY A 66 1.580 -3.259 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.575 -3.634 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.464 -5.094 5.955 1.00 0.00 H new ATOM 982 N ASP A 67 3.956 -2.163 6.322 1.00 0.00 N ATOM 983 CA ASP A 67 5.097 -1.493 6.924 1.00 0.00 C ATOM 984 C ASP A 67 4.602 -0.336 7.795 1.00 0.00 C ATOM 985 O ASP A 67 4.394 0.771 7.302 1.00 0.00 O ATOM 986 CB ASP A 67 6.024 -0.916 5.853 1.00 0.00 C ATOM 987 CG ASP A 67 7.491 -1.332 5.975 1.00 0.00 C ATOM 988 OD1 ASP A 67 8.099 -0.972 7.006 1.00 0.00 O ATOM 989 OD2 ASP A 67 7.971 -2.001 5.035 1.00 0.00 O ATOM 0 H ASP A 67 3.383 -1.572 5.720 1.00 0.00 H new ATOM 0 HA ASP A 67 5.644 -2.225 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.656 -1.220 4.873 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.966 0.172 5.891 1.00 0.00 H new ATOM 994 N VAL A 68 4.429 -0.633 9.074 1.00 0.00 N ATOM 995 CA VAL A 68 3.963 0.368 10.018 1.00 0.00 C ATOM 996 C VAL A 68 4.997 1.492 10.115 1.00 0.00 C ATOM 997 O VAL A 68 4.638 2.662 10.237 1.00 0.00 O ATOM 998 CB VAL A 68 3.662 -0.285 11.368 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.760 0.734 12.505 1.00 0.00 C ATOM 1000 CG2 VAL A 68 2.290 -0.962 11.356 1.00 0.00 C ATOM 0 H VAL A 68 4.603 -1.553 9.479 1.00 0.00 H new ATOM 0 HA VAL A 68 3.030 0.813 9.672 1.00 0.00 H new ATOM 0 HB VAL A 68 4.414 -1.054 11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.541 0.243 13.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.767 1.150 12.535 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.041 1.536 12.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.101 -1.418 12.328 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.520 -0.219 11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.271 -1.731 10.584 1.00 0.00 H new ATOM 1010 N ASN A 69 6.260 1.096 10.058 1.00 0.00 N ATOM 1011 CA ASN A 69 7.349 2.056 10.137 1.00 0.00 C ATOM 1012 C ASN A 69 7.335 2.941 8.890 1.00 0.00 C ATOM 1013 O ASN A 69 7.080 4.142 8.979 1.00 0.00 O ATOM 1014 CB ASN A 69 8.704 1.347 10.199 1.00 0.00 C ATOM 1015 CG ASN A 69 8.618 0.073 11.042 1.00 0.00 C ATOM 1016 OD1 ASN A 69 8.201 0.083 12.188 1.00 0.00 O ATOM 1017 ND2 ASN A 69 9.037 -1.021 10.412 1.00 0.00 N ATOM 0 H ASN A 69 6.554 0.124 9.958 1.00 0.00 H new ATOM 0 HA ASN A 69 7.210 2.650 11.041 1.00 0.00 H new ATOM 0 HB2 ASN A 69 9.035 1.098 9.191 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.451 2.018 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.021 -1.922 10.890 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.374 -0.959 9.451 1.00 0.00 H new ATOM 1024 N ARG A 70 7.612 2.316 7.756 1.00 0.00 N ATOM 1025 CA ARG A 70 7.635 3.032 6.492 1.00 0.00 C ATOM 1026 C ARG A 70 6.355 3.855 6.325 1.00 0.00 C ATOM 1027 O ARG A 70 6.402 4.994 5.864 1.00 0.00 O ATOM 1028 CB ARG A 70 7.768 2.066 5.313 1.00 0.00 C ATOM 1029 CG ARG A 70 9.073 2.307 4.551 1.00 0.00 C ATOM 1030 CD ARG A 70 8.800 2.926 3.179 1.00 0.00 C ATOM 1031 NE ARG A 70 9.702 4.077 2.954 1.00 0.00 N ATOM 1032 CZ ARG A 70 9.685 4.841 1.853 1.00 0.00 C ATOM 1033 NH1 ARG A 70 8.813 4.580 0.870 1.00 0.00 N ATOM 1034 NH2 ARG A 70 10.541 5.865 1.735 1.00 0.00 N ATOM 0 H ARG A 70 7.823 1.320 7.686 1.00 0.00 H new ATOM 0 HA ARG A 70 8.500 3.695 6.503 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.739 1.038 5.675 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.921 2.191 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.720 2.967 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.607 1.364 4.429 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.948 2.180 2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.761 3.250 3.117 1.00 0.00 H new ATOM 0 HE ARG A 70 10.379 4.303 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.162 3.800 0.960 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.800 5.161 0.032 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.206 6.063 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.528 6.446 0.897 1.00 0.00 H new ATOM 1048 N ALA A 71 5.244 3.245 6.710 1.00 0.00 N ATOM 1049 CA ALA A 71 3.954 3.907 6.609 1.00 0.00 C ATOM 1050 C ALA A 71 3.976 5.188 7.445 1.00 0.00 C ATOM 1051 O ALA A 71 3.553 6.245 6.979 1.00 0.00 O ATOM 1052 CB ALA A 71 2.850 2.944 7.048 1.00 0.00 C ATOM 0 H ALA A 71 5.210 2.300 7.092 1.00 0.00 H new ATOM 0 HA ALA A 71 3.748 4.190 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.883 3.441 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.858 2.064 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.022 2.640 8.081 1.00 0.00 H new ATOM 1058 N ILE A 72 4.474 5.052 8.665 1.00 0.00 N ATOM 1059 CA ILE A 72 4.557 6.185 9.571 1.00 0.00 C ATOM 1060 C ILE A 72 5.286 7.337 8.874 1.00 0.00 C ATOM 1061 O ILE A 72 4.884 8.493 8.994 1.00 0.00 O ATOM 1062 CB ILE A 72 5.195 5.766 10.896 1.00 0.00 C ATOM 1063 CG1 ILE A 72 4.197 4.999 11.767 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.784 6.975 11.628 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.918 4.010 12.684 1.00 0.00 C ATOM 0 H ILE A 72 4.824 4.174 9.048 1.00 0.00 H new ATOM 0 HA ILE A 72 3.560 6.544 9.824 1.00 0.00 H new ATOM 0 HB ILE A 72 6.020 5.088 10.678 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.618 5.701 12.367 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.491 4.464 11.132 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.231 6.649 12.567 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.547 7.441 11.005 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.993 7.696 11.834 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.186 3.478 13.292 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.477 3.295 12.080 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.605 4.551 13.334 1.00 0.00 H new ATOM 1077 N ASN A 73 6.344 6.980 8.161 1.00 0.00 N ATOM 1078 CA ASN A 73 7.132 7.969 7.445 1.00 0.00 C ATOM 1079 C ASN A 73 6.255 8.647 6.391 1.00 0.00 C ATOM 1080 O ASN A 73 6.361 9.853 6.173 1.00 0.00 O ATOM 1081 CB ASN A 73 8.315 7.316 6.728 1.00 0.00 C ATOM 1082 CG ASN A 73 9.638 7.694 7.397 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.290 8.661 7.040 1.00 0.00 O ATOM 1084 ND2 ASN A 73 9.996 6.879 8.385 1.00 0.00 N ATOM 0 H ASN A 73 6.674 6.020 8.064 1.00 0.00 H new ATOM 0 HA ASN A 73 7.505 8.693 8.170 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.196 6.233 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.329 7.628 5.684 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.863 7.046 8.895 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.403 6.087 8.633 1.00 0.00 H new ATOM 1091 N VAL A 74 5.410 7.842 5.764 1.00 0.00 N ATOM 1092 CA VAL A 74 4.515 8.350 4.737 1.00 0.00 C ATOM 1093 C VAL A 74 3.387 9.144 5.397 1.00 0.00 C ATOM 1094 O VAL A 74 3.182 10.316 5.084 1.00 0.00 O ATOM 1095 CB VAL A 74 4.007 7.197 3.869 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.163 7.718 2.704 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.168 6.337 3.364 1.00 0.00 C ATOM 0 H VAL A 74 5.326 6.842 5.947 1.00 0.00 H new ATOM 0 HA VAL A 74 5.045 9.031 4.071 1.00 0.00 H new ATOM 0 HB VAL A 74 3.369 6.567 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.815 6.878 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.305 8.267 3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.767 8.381 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.779 5.525 2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.843 6.951 2.768 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.710 5.922 4.214 1.00 0.00 H new ATOM 1107 N LEU A 75 2.683 8.474 6.298 1.00 0.00 N ATOM 1108 CA LEU A 75 1.580 9.103 7.005 1.00 0.00 C ATOM 1109 C LEU A 75 2.044 10.444 7.576 1.00 0.00 C ATOM 1110 O LEU A 75 1.432 11.479 7.316 1.00 0.00 O ATOM 1111 CB LEU A 75 1.007 8.152 8.057 1.00 0.00 C ATOM 1112 CG LEU A 75 -0.050 7.162 7.563 1.00 0.00 C ATOM 1113 CD1 LEU A 75 -0.147 5.953 8.495 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.402 7.852 7.375 1.00 0.00 C ATOM 0 H LEU A 75 2.855 7.502 6.555 1.00 0.00 H new ATOM 0 HA LEU A 75 0.760 9.315 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.830 7.586 8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.571 8.749 8.858 1.00 0.00 H new ATOM 0 HG LEU A 75 0.260 6.791 6.586 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.905 5.265 8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.817 5.445 8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.421 6.286 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.135 7.126 7.023 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.732 8.270 8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.303 8.652 6.642 1.00 0.00 H new ATOM 1126 N LEU A 76 3.123 10.383 8.343 1.00 0.00 N ATOM 1127 CA LEU A 76 3.676 11.580 8.952 1.00 0.00 C ATOM 1128 C LEU A 76 3.620 12.732 7.947 1.00 0.00 C ATOM 1129 O LEU A 76 2.930 13.725 8.172 1.00 0.00 O ATOM 1130 CB LEU A 76 5.080 11.305 9.495 1.00 0.00 C ATOM 1131 CG LEU A 76 5.150 10.543 10.820 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.540 9.941 11.033 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.726 11.435 11.988 1.00 0.00 C ATOM 0 H LEU A 76 3.629 9.523 8.556 1.00 0.00 H new ATOM 0 HA LEU A 76 3.079 11.879 9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.634 10.741 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.593 12.259 9.620 1.00 0.00 H new ATOM 0 HG LEU A 76 4.444 9.714 10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.563 9.405 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.766 9.250 10.220 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.283 10.738 11.049 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.785 10.869 12.918 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.389 12.298 12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.702 11.774 11.834 1.00 0.00 H new ATOM 1145 N GLU A 77 4.356 12.561 6.858 1.00 0.00 N ATOM 1146 CA GLU A 77 4.399 13.574 5.817 1.00 0.00 C ATOM 1147 C GLU A 77 3.330 13.294 4.760 1.00 0.00 C ATOM 1148 O GLU A 77 3.533 13.570 3.578 1.00 0.00 O ATOM 1149 CB GLU A 77 5.789 13.652 5.184 1.00 0.00 C ATOM 1150 CG GLU A 77 6.664 14.678 5.906 1.00 0.00 C ATOM 1151 CD GLU A 77 7.286 15.663 4.914 1.00 0.00 C ATOM 1152 OE1 GLU A 77 7.715 15.191 3.839 1.00 0.00 O ATOM 1153 OE2 GLU A 77 7.320 16.866 5.253 1.00 0.00 O ATOM 0 H GLU A 77 4.927 11.736 6.674 1.00 0.00 H new ATOM 0 HA GLU A 77 4.189 14.542 6.271 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.265 12.672 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.699 13.922 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.065 15.222 6.637 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.452 14.165 6.457 1.00 0.00 H new ATOM 1160 N GLY A 78 2.214 12.749 5.222 1.00 0.00 N ATOM 1161 CA GLY A 78 1.112 12.428 4.330 1.00 0.00 C ATOM 1162 C GLY A 78 1.623 11.799 3.032 1.00 0.00 C ATOM 1163 O GLY A 78 1.993 10.627 3.010 1.00 0.00 O ATOM 0 H GLY A 78 2.049 12.521 6.203 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.426 11.741 4.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.548 13.333 4.103 1.00 0.00 H new ATOM 1167 N ASN A 79 1.626 12.607 1.982 1.00 0.00 N ATOM 1168 CA ASN A 79 2.085 12.145 0.684 1.00 0.00 C ATOM 1169 C ASN A 79 3.248 13.022 0.216 1.00 0.00 C ATOM 1170 O ASN A 79 3.277 14.220 0.494 1.00 0.00 O ATOM 1171 CB ASN A 79 0.971 12.241 -0.361 1.00 0.00 C ATOM 1172 CG ASN A 79 -0.249 11.420 0.062 1.00 0.00 C ATOM 1173 OD1 ASN A 79 -0.170 10.230 0.318 1.00 0.00 O ATOM 1174 ND2 ASN A 79 -1.378 12.120 0.121 1.00 0.00 N ATOM 0 H ASN A 79 1.318 13.579 2.004 1.00 0.00 H new ATOM 0 HA ASN A 79 2.394 11.105 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.683 13.284 -0.496 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.338 11.884 -1.323 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.248 11.663 0.394 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.374 13.114 -0.106 1.00 0.00 H new ATOM 1181 N PRO A 80 4.202 12.376 -0.505 1.00 0.00 N ATOM 1182 CA PRO A 80 5.365 13.084 -1.014 1.00 0.00 C ATOM 1183 C PRO A 80 4.994 13.952 -2.218 1.00 0.00 C ATOM 1184 O PRO A 80 5.480 15.074 -2.352 1.00 0.00 O ATOM 1185 CB PRO A 80 6.371 11.997 -1.352 1.00 0.00 C ATOM 1186 CG PRO A 80 5.572 10.708 -1.459 1.00 0.00 C ATOM 1187 CD PRO A 80 4.201 10.958 -0.854 1.00 0.00 C ATOM 0 HA PRO A 80 5.783 13.782 -0.289 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.884 12.217 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.136 11.919 -0.580 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.479 10.402 -2.501 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.080 9.899 -0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.407 10.726 -1.563 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.036 10.334 0.025 1.00 0.00 H new ATOM 1195 N ASP A 81 4.137 13.399 -3.063 1.00 0.00 N ATOM 1196 CA ASP A 81 3.695 14.109 -4.252 1.00 0.00 C ATOM 1197 C ASP A 81 2.575 13.315 -4.928 1.00 0.00 C ATOM 1198 O ASP A 81 2.818 12.583 -5.885 1.00 0.00 O ATOM 1199 CB ASP A 81 4.838 14.263 -5.258 1.00 0.00 C ATOM 1200 CG ASP A 81 5.453 15.662 -5.328 1.00 0.00 C ATOM 1201 OD1 ASP A 81 5.112 16.477 -4.444 1.00 0.00 O ATOM 1202 OD2 ASP A 81 6.251 15.884 -6.264 1.00 0.00 O ATOM 0 H ASP A 81 3.737 12.468 -2.948 1.00 0.00 H new ATOM 0 HA ASP A 81 3.348 15.096 -3.946 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.623 13.550 -5.006 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.469 13.994 -6.248 1.00 0.00 H new ATOM 1207 N THR A 82 1.371 13.489 -4.403 1.00 0.00 N ATOM 1208 CA THR A 82 0.212 12.798 -4.943 1.00 0.00 C ATOM 1209 C THR A 82 0.099 13.045 -6.449 1.00 0.00 C ATOM 1210 O THR A 82 -0.117 12.111 -7.219 1.00 0.00 O ATOM 1211 CB THR A 82 -1.019 13.256 -4.158 1.00 0.00 C ATOM 1212 OG1 THR A 82 -2.114 12.673 -4.860 1.00 0.00 O ATOM 1213 CG2 THR A 82 -1.262 14.762 -4.274 1.00 0.00 C ATOM 0 H THR A 82 1.173 14.098 -3.609 1.00 0.00 H new ATOM 0 HA THR A 82 0.305 11.718 -4.828 1.00 0.00 H new ATOM 0 HB THR A 82 -0.900 12.988 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.954 12.918 -4.418 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.147 15.033 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.398 15.301 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.415 15.026 -5.320 1.00 0.00 H new ATOM 1221 N HIS A 83 0.250 14.307 -6.823 1.00 0.00 N ATOM 1222 CA HIS A 83 0.167 14.687 -8.222 1.00 0.00 C ATOM 1223 C HIS A 83 0.904 13.656 -9.079 1.00 0.00 C ATOM 1224 O HIS A 83 2.015 13.246 -8.746 1.00 0.00 O ATOM 1225 CB HIS A 83 0.688 16.111 -8.430 1.00 0.00 C ATOM 1226 CG HIS A 83 0.072 17.131 -7.503 1.00 0.00 C ATOM 1227 ND1 HIS A 83 0.811 18.125 -6.885 1.00 0.00 N ATOM 1228 CD2 HIS A 83 -1.218 17.302 -7.096 1.00 0.00 C ATOM 1229 CE1 HIS A 83 -0.008 18.855 -6.142 1.00 0.00 C ATOM 1230 NE2 HIS A 83 -1.265 18.342 -6.273 1.00 0.00 N ATOM 0 H HIS A 83 0.429 15.079 -6.181 1.00 0.00 H new ATOM 0 HA HIS A 83 -0.876 14.693 -8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 83 1.769 16.115 -8.292 1.00 0.00 H new ATOM 0 HB3 HIS A 83 0.497 16.410 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -2.060 16.694 -7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 83 0.271 19.706 -5.539 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.103 18.699 -5.814 1.00 0.00 H new ATOM 1238 N SER A 84 0.255 13.265 -10.166 1.00 0.00 N ATOM 1239 CA SER A 84 0.835 12.289 -11.074 1.00 0.00 C ATOM 1240 C SER A 84 2.300 12.634 -11.347 1.00 0.00 C ATOM 1241 O SER A 84 2.737 13.754 -11.085 1.00 0.00 O ATOM 1242 CB SER A 84 0.051 12.224 -12.386 1.00 0.00 C ATOM 1243 OG SER A 84 -1.170 11.503 -12.243 1.00 0.00 O ATOM 0 H SER A 84 -0.667 13.606 -10.439 1.00 0.00 H new ATOM 0 HA SER A 84 0.782 11.308 -10.602 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.164 13.236 -12.731 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.665 11.750 -13.152 1.00 0.00 H new ATOM 0 HG SER A 84 -1.239 10.833 -12.955 1.00 0.00 H new ATOM 1249 N TRP A 85 3.018 11.652 -11.871 1.00 0.00 N ATOM 1250 CA TRP A 85 4.425 11.838 -12.184 1.00 0.00 C ATOM 1251 C TRP A 85 4.527 12.343 -13.624 1.00 0.00 C ATOM 1252 O TRP A 85 3.584 12.206 -14.402 1.00 0.00 O ATOM 1253 CB TRP A 85 5.215 10.550 -11.944 1.00 0.00 C ATOM 1254 CG TRP A 85 6.376 10.705 -10.960 1.00 0.00 C ATOM 1255 CD1 TRP A 85 6.378 10.466 -9.642 1.00 0.00 C ATOM 1256 CD2 TRP A 85 7.714 11.147 -11.272 1.00 0.00 C ATOM 1257 NE1 TRP A 85 7.614 10.720 -9.083 1.00 0.00 N ATOM 1258 CE2 TRP A 85 8.452 11.147 -10.106 1.00 0.00 C ATOM 1259 CE3 TRP A 85 8.282 11.533 -12.499 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 9.799 11.525 -10.052 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 9.628 11.908 -12.428 1.00 0.00 C ATOM 1262 CH2 TRP A 85 10.386 11.914 -11.262 1.00 0.00 C ATOM 0 H TRP A 85 2.652 10.725 -12.087 1.00 0.00 H new ATOM 0 HA TRP A 85 4.872 12.581 -11.523 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.536 9.784 -11.570 1.00 0.00 H new ATOM 0 HB3 TRP A 85 5.605 10.193 -12.897 1.00 0.00 H new ATOM 0 HD1 TRP A 85 5.520 10.118 -9.086 1.00 0.00 H new ATOM 0 HE1 TRP A 85 7.866 10.614 -8.100 1.00 0.00 H new ATOM 0 HE3 TRP A 85 7.723 11.539 -13.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 10.355 11.517 -9.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.113 12.214 -13.343 1.00 0.00 H new ATOM 0 HH2 TRP A 85 11.422 12.217 -11.290 1.00 0.00 H new ATOM 1273 N GLU A 86 5.680 12.915 -13.937 1.00 0.00 N ATOM 1274 CA GLU A 86 5.918 13.441 -15.270 1.00 0.00 C ATOM 1275 C GLU A 86 6.631 12.398 -16.133 1.00 0.00 C ATOM 1276 O GLU A 86 7.851 12.440 -16.281 1.00 0.00 O ATOM 1277 CB GLU A 86 6.718 14.744 -15.212 1.00 0.00 C ATOM 1278 CG GLU A 86 6.426 15.622 -16.430 1.00 0.00 C ATOM 1279 CD GLU A 86 5.939 17.008 -16.003 1.00 0.00 C ATOM 1280 OE1 GLU A 86 5.282 17.077 -14.942 1.00 0.00 O ATOM 1281 OE2 GLU A 86 6.235 17.968 -16.747 1.00 0.00 O ATOM 0 H GLU A 86 6.460 13.026 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 86 4.954 13.665 -15.727 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.470 15.287 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.784 14.519 -15.169 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.326 15.720 -17.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.671 15.144 -17.055 1.00 0.00 H new ATOM 1288 N MET A 87 5.839 11.487 -16.679 1.00 0.00 N ATOM 1289 CA MET A 87 6.380 10.435 -17.523 1.00 0.00 C ATOM 1290 C MET A 87 5.456 10.156 -18.710 1.00 0.00 C ATOM 1291 O MET A 87 4.394 9.556 -18.548 1.00 0.00 O ATOM 1292 CB MET A 87 6.553 9.158 -16.699 1.00 0.00 C ATOM 1293 CG MET A 87 7.251 8.069 -17.516 1.00 0.00 C ATOM 1294 SD MET A 87 8.497 7.265 -16.522 1.00 0.00 S ATOM 1295 CE MET A 87 9.400 6.401 -17.797 1.00 0.00 C ATOM 0 H MET A 87 4.827 11.455 -16.554 1.00 0.00 H new ATOM 0 HA MET A 87 7.346 10.763 -17.907 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.135 9.375 -15.803 1.00 0.00 H new ATOM 0 HB3 MET A 87 5.578 8.800 -16.367 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.521 7.337 -17.861 1.00 0.00 H new ATOM 0 HG3 MET A 87 7.708 8.506 -18.404 1.00 0.00 H new ATOM 0 HE1 MET A 87 10.373 6.097 -17.411 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.840 5.518 -18.105 1.00 0.00 H new ATOM 0 HE3 MET A 87 9.539 7.060 -18.654 1.00 0.00 H new ATOM 1305 N VAL A 88 5.894 10.603 -19.878 1.00 0.00 N ATOM 1306 CA VAL A 88 5.120 10.408 -21.092 1.00 0.00 C ATOM 1307 C VAL A 88 5.721 9.254 -21.896 1.00 0.00 C ATOM 1308 O VAL A 88 6.657 9.453 -22.670 1.00 0.00 O ATOM 1309 CB VAL A 88 5.050 11.716 -21.884 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.419 11.492 -23.259 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.293 12.791 -21.101 1.00 0.00 C ATOM 0 H VAL A 88 6.775 11.100 -20.009 1.00 0.00 H new ATOM 0 HA VAL A 88 4.093 10.135 -20.850 1.00 0.00 H new ATOM 0 HB VAL A 88 6.070 12.069 -22.038 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.382 12.437 -23.800 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.017 10.775 -23.821 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.408 11.104 -23.136 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.258 13.710 -21.686 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.278 12.449 -20.902 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.804 12.981 -20.157 1.00 0.00 H new ATOM 1321 N GLY A 89 5.160 8.072 -21.685 1.00 0.00 N ATOM 1322 CA GLY A 89 5.630 6.886 -22.381 1.00 0.00 C ATOM 1323 C GLY A 89 6.623 6.103 -21.520 1.00 0.00 C ATOM 1324 O GLY A 89 6.916 6.495 -20.392 1.00 0.00 O ATOM 0 H GLY A 89 4.385 7.910 -21.042 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.783 6.249 -22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.105 7.174 -23.319 1.00 0.00 H new ATOM 1328 N LYS A 90 7.114 5.010 -22.086 1.00 0.00 N ATOM 1329 CA LYS A 90 8.068 4.168 -21.384 1.00 0.00 C ATOM 1330 C LYS A 90 7.369 3.481 -20.210 1.00 0.00 C ATOM 1331 O LYS A 90 6.758 4.144 -19.372 1.00 0.00 O ATOM 1332 CB LYS A 90 9.300 4.979 -20.977 1.00 0.00 C ATOM 1333 CG LYS A 90 10.342 4.089 -20.297 1.00 0.00 C ATOM 1334 CD LYS A 90 11.607 3.976 -21.151 1.00 0.00 C ATOM 1335 CE LYS A 90 12.733 4.841 -20.581 1.00 0.00 C ATOM 1336 NZ LYS A 90 12.765 6.158 -21.254 1.00 0.00 N ATOM 0 H LYS A 90 6.869 4.688 -23.022 1.00 0.00 H new ATOM 0 HA LYS A 90 8.436 3.380 -22.041 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.737 5.449 -21.858 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.005 5.781 -20.301 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.594 4.500 -19.319 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.923 3.097 -20.127 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.929 2.936 -21.194 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.389 4.285 -22.173 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.588 4.977 -19.509 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.690 4.336 -20.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.535 6.733 -20.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.925 6.023 -22.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.858 6.645 -21.107 1.00 0.00 H new ATOM 1350 N LYS A 91 7.481 2.161 -20.185 1.00 0.00 N ATOM 1351 CA LYS A 91 6.867 1.377 -19.127 1.00 0.00 C ATOM 1352 C LYS A 91 7.451 -0.037 -19.142 1.00 0.00 C ATOM 1353 O LYS A 91 8.130 -0.442 -18.200 1.00 0.00 O ATOM 1354 CB LYS A 91 5.342 1.414 -19.249 1.00 0.00 C ATOM 1355 CG LYS A 91 4.677 0.944 -17.954 1.00 0.00 C ATOM 1356 CD LYS A 91 4.264 2.134 -17.087 1.00 0.00 C ATOM 1357 CE LYS A 91 5.018 2.131 -15.756 1.00 0.00 C ATOM 1358 NZ LYS A 91 4.110 1.765 -14.646 1.00 0.00 N ATOM 0 H LYS A 91 7.988 1.614 -20.881 1.00 0.00 H new ATOM 0 HA LYS A 91 7.096 1.807 -18.152 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.017 2.428 -19.482 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.024 0.779 -20.076 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.801 0.340 -18.189 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.365 0.306 -17.399 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.464 3.064 -17.620 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.191 2.098 -16.901 1.00 0.00 H new ATOM 0 HE2 LYS A 91 5.847 1.425 -15.803 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.448 3.116 -15.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.638 1.768 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.333 2.454 -14.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.720 0.816 -14.815 1.00 0.00 H new ATOM 1372 N LYS A 92 7.166 -0.750 -20.222 1.00 0.00 N ATOM 1373 CA LYS A 92 7.654 -2.110 -20.371 1.00 0.00 C ATOM 1374 C LYS A 92 6.957 -3.013 -19.351 1.00 0.00 C ATOM 1375 O LYS A 92 7.153 -2.861 -18.147 1.00 0.00 O ATOM 1376 CB LYS A 92 9.181 -2.144 -20.281 1.00 0.00 C ATOM 1377 CG LYS A 92 9.773 -3.079 -21.337 1.00 0.00 C ATOM 1378 CD LYS A 92 9.792 -2.409 -22.713 1.00 0.00 C ATOM 1379 CE LYS A 92 11.184 -1.863 -23.038 1.00 0.00 C ATOM 1380 NZ LYS A 92 11.683 -2.439 -24.307 1.00 0.00 N ATOM 0 H LYS A 92 6.603 -0.411 -21.002 1.00 0.00 H new ATOM 0 HA LYS A 92 7.407 -2.497 -21.360 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.579 -1.138 -20.417 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.483 -2.475 -19.287 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.787 -3.361 -21.052 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.188 -3.998 -21.384 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.492 -3.128 -23.476 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.065 -1.598 -22.736 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.146 -0.776 -23.115 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.873 -2.101 -22.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.629 -2.058 -24.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.738 -3.474 -24.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.034 -2.190 -25.080 1.00 0.00 H new ATOM 1394 N GLY A 93 6.158 -3.932 -19.872 1.00 0.00 N ATOM 1395 CA GLY A 93 5.431 -4.860 -19.021 1.00 0.00 C ATOM 1396 C GLY A 93 6.269 -6.105 -18.726 1.00 0.00 C ATOM 1397 O GLY A 93 7.478 -6.010 -18.520 1.00 0.00 O ATOM 0 H GLY A 93 5.998 -4.054 -20.872 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.163 -4.368 -18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.500 -5.151 -19.507 1.00 0.00 H new ATOM 1401 N VAL A 94 5.593 -7.245 -18.716 1.00 0.00 N ATOM 1402 CA VAL A 94 6.260 -8.508 -18.449 1.00 0.00 C ATOM 1403 C VAL A 94 5.493 -9.640 -19.137 1.00 0.00 C ATOM 1404 O VAL A 94 4.301 -9.821 -18.897 1.00 0.00 O ATOM 1405 CB VAL A 94 6.406 -8.715 -16.941 1.00 0.00 C ATOM 1406 CG1 VAL A 94 5.066 -9.095 -16.307 1.00 0.00 C ATOM 1407 CG2 VAL A 94 7.475 -9.765 -16.632 1.00 0.00 C ATOM 0 H VAL A 94 4.590 -7.320 -18.888 1.00 0.00 H new ATOM 0 HA VAL A 94 7.269 -8.501 -18.861 1.00 0.00 H new ATOM 0 HB VAL A 94 6.728 -7.770 -16.504 1.00 0.00 H new ATOM 0 HG11 VAL A 94 5.198 -9.236 -15.234 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.342 -8.299 -16.482 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.702 -10.021 -16.753 1.00 0.00 H new ATOM 0 HG21 VAL A 94 7.558 -9.893 -15.553 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.196 -10.714 -17.089 1.00 0.00 H new ATOM 0 HG23 VAL A 94 8.434 -9.437 -17.034 1.00 0.00 H new ATOM 1417 N SER A 95 6.209 -10.371 -19.978 1.00 0.00 N ATOM 1418 CA SER A 95 5.611 -11.480 -20.702 1.00 0.00 C ATOM 1419 C SER A 95 6.429 -12.753 -20.479 1.00 0.00 C ATOM 1420 O SER A 95 7.645 -12.691 -20.302 1.00 0.00 O ATOM 1421 CB SER A 95 5.508 -11.170 -22.197 1.00 0.00 C ATOM 1422 OG SER A 95 6.782 -11.188 -22.835 1.00 0.00 O ATOM 0 H SER A 95 7.198 -10.217 -20.174 1.00 0.00 H new ATOM 0 HA SER A 95 4.602 -11.633 -20.320 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.853 -11.899 -22.674 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.048 -10.191 -22.333 1.00 0.00 H new ATOM 0 HG SER A 95 6.673 -10.987 -23.788 1.00 0.00 H new ATOM 1428 N GLY A 96 5.730 -13.878 -20.494 1.00 0.00 N ATOM 1429 CA GLY A 96 6.376 -15.164 -20.295 1.00 0.00 C ATOM 1430 C GLY A 96 7.363 -15.462 -21.426 1.00 0.00 C ATOM 1431 O GLY A 96 6.966 -15.594 -22.582 1.00 0.00 O ATOM 0 H GLY A 96 4.722 -13.926 -20.641 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.900 -15.168 -19.339 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.623 -15.950 -20.248 1.00 0.00 H new ATOM 1435 N GLN A 97 8.630 -15.560 -21.052 1.00 0.00 N ATOM 1436 CA GLN A 97 9.677 -15.840 -22.020 1.00 0.00 C ATOM 1437 C GLN A 97 10.913 -16.404 -21.318 1.00 0.00 C ATOM 1438 O GLN A 97 11.685 -15.656 -20.718 1.00 0.00 O ATOM 1439 CB GLN A 97 10.027 -14.588 -22.827 1.00 0.00 C ATOM 1440 CG GLN A 97 10.446 -14.954 -24.252 1.00 0.00 C ATOM 1441 CD GLN A 97 9.573 -14.234 -25.282 1.00 0.00 C ATOM 1442 OE1 GLN A 97 8.390 -14.011 -25.084 1.00 0.00 O ATOM 1443 NE2 GLN A 97 10.221 -13.883 -26.390 1.00 0.00 N ATOM 0 H GLN A 97 8.955 -15.450 -20.092 1.00 0.00 H new ATOM 0 HA GLN A 97 9.307 -16.590 -22.719 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.167 -13.918 -22.857 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.835 -14.047 -22.334 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.492 -14.688 -24.407 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.367 -16.032 -24.393 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.212 -14.100 -26.492 1.00 0.00 H new ATOM 0 HE22 GLN A 97 9.726 -13.397 -27.138 1.00 0.00 H new ATOM 1452 N LYS A 98 11.063 -17.716 -21.414 1.00 0.00 N ATOM 1453 CA LYS A 98 12.193 -18.388 -20.795 1.00 0.00 C ATOM 1454 C LYS A 98 13.098 -18.965 -21.886 1.00 0.00 C ATOM 1455 O LYS A 98 12.660 -19.785 -22.691 1.00 0.00 O ATOM 1456 CB LYS A 98 11.709 -19.429 -19.784 1.00 0.00 C ATOM 1457 CG LYS A 98 11.461 -18.790 -18.416 1.00 0.00 C ATOM 1458 CD LYS A 98 12.584 -19.137 -17.437 1.00 0.00 C ATOM 1459 CE LYS A 98 13.335 -17.879 -16.996 1.00 0.00 C ATOM 1460 NZ LYS A 98 14.437 -18.230 -16.073 1.00 0.00 N ATOM 0 H LYS A 98 10.421 -18.333 -21.911 1.00 0.00 H new ATOM 0 HA LYS A 98 12.793 -17.678 -20.225 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.791 -19.892 -20.145 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.451 -20.222 -19.690 1.00 0.00 H new ATOM 0 HG2 LYS A 98 11.389 -17.708 -18.524 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.507 -19.135 -18.017 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.168 -19.641 -16.565 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.278 -19.834 -17.907 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.734 -17.362 -17.869 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.647 -17.191 -16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.936 -17.365 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 14.048 -18.703 -15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.102 -18.869 -16.554 1.00 0.00 H new ATOM 1474 N SER A 99 14.344 -18.513 -21.877 1.00 0.00 N ATOM 1475 CA SER A 99 15.314 -18.974 -22.855 1.00 0.00 C ATOM 1476 C SER A 99 16.722 -18.924 -22.259 1.00 0.00 C ATOM 1477 O SER A 99 16.981 -18.159 -21.332 1.00 0.00 O ATOM 1478 CB SER A 99 15.248 -18.136 -24.133 1.00 0.00 C ATOM 1479 OG SER A 99 15.237 -18.948 -25.304 1.00 0.00 O ATOM 0 H SER A 99 14.703 -17.832 -21.208 1.00 0.00 H new ATOM 0 HA SER A 99 15.074 -20.005 -23.116 1.00 0.00 H new ATOM 0 HB2 SER A 99 14.352 -17.515 -24.114 1.00 0.00 H new ATOM 0 HB3 SER A 99 16.103 -17.461 -24.168 1.00 0.00 H new ATOM 0 HG SER A 99 15.193 -18.376 -26.098 1.00 0.00 H new ATOM 1485 N GLY A 100 17.596 -19.750 -22.816 1.00 0.00 N ATOM 1486 CA GLY A 100 18.971 -19.809 -22.352 1.00 0.00 C ATOM 1487 C GLY A 100 19.760 -20.879 -23.109 1.00 0.00 C ATOM 1488 O GLY A 100 19.715 -22.056 -22.755 1.00 0.00 O ATOM 0 H GLY A 100 17.378 -20.384 -23.585 1.00 0.00 H new ATOM 0 HA2 GLY A 100 19.446 -18.838 -22.488 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.989 -20.026 -21.284 1.00 0.00 H new ATOM 1492 N PRO A 101 20.483 -20.419 -24.166 1.00 0.00 N ATOM 1493 CA PRO A 101 21.281 -21.323 -24.976 1.00 0.00 C ATOM 1494 C PRO A 101 22.556 -21.740 -24.240 1.00 0.00 C ATOM 1495 O PRO A 101 23.591 -21.087 -24.366 1.00 0.00 O ATOM 1496 CB PRO A 101 21.560 -20.558 -26.260 1.00 0.00 C ATOM 1497 CG PRO A 101 21.307 -19.095 -25.937 1.00 0.00 C ATOM 1498 CD PRO A 101 20.560 -19.032 -24.614 1.00 0.00 C ATOM 0 HA PRO A 101 20.767 -22.260 -25.189 1.00 0.00 H new ATOM 0 HB2 PRO A 101 22.587 -20.713 -26.592 1.00 0.00 H new ATOM 0 HB3 PRO A 101 20.910 -20.898 -27.066 1.00 0.00 H new ATOM 0 HG2 PRO A 101 22.249 -18.550 -25.870 1.00 0.00 H new ATOM 0 HG3 PRO A 101 20.723 -18.625 -26.728 1.00 0.00 H new ATOM 0 HD2 PRO A 101 21.088 -18.411 -23.890 1.00 0.00 H new ATOM 0 HD3 PRO A 101 19.567 -18.601 -24.740 1.00 0.00 H new ATOM 1506 N SER A 102 22.440 -22.824 -23.487 1.00 0.00 N ATOM 1507 CA SER A 102 23.570 -23.335 -22.731 1.00 0.00 C ATOM 1508 C SER A 102 23.994 -22.316 -21.672 1.00 0.00 C ATOM 1509 O SER A 102 23.639 -21.141 -21.757 1.00 0.00 O ATOM 1510 CB SER A 102 24.746 -23.663 -23.653 1.00 0.00 C ATOM 1511 OG SER A 102 24.943 -25.068 -23.786 1.00 0.00 O ATOM 0 H SER A 102 21.580 -23.363 -23.384 1.00 0.00 H new ATOM 0 HA SER A 102 23.263 -24.257 -22.237 1.00 0.00 H new ATOM 0 HB2 SER A 102 24.569 -23.227 -24.636 1.00 0.00 H new ATOM 0 HB3 SER A 102 25.654 -23.205 -23.260 1.00 0.00 H new ATOM 0 HG SER A 102 25.701 -25.237 -24.383 1.00 0.00 H new ATOM 1517 N SER A 103 24.749 -22.802 -20.697 1.00 0.00 N ATOM 1518 CA SER A 103 25.225 -21.948 -19.622 1.00 0.00 C ATOM 1519 C SER A 103 26.372 -22.635 -18.877 1.00 0.00 C ATOM 1520 O SER A 103 26.139 -23.500 -18.035 1.00 0.00 O ATOM 1521 CB SER A 103 24.095 -21.601 -18.652 1.00 0.00 C ATOM 1522 OG SER A 103 23.389 -20.430 -19.051 1.00 0.00 O ATOM 0 H SER A 103 25.043 -23.776 -20.629 1.00 0.00 H new ATOM 0 HA SER A 103 25.589 -21.019 -20.060 1.00 0.00 H new ATOM 0 HB2 SER A 103 23.401 -22.439 -18.590 1.00 0.00 H new ATOM 0 HB3 SER A 103 24.507 -21.453 -17.654 1.00 0.00 H new ATOM 0 HG SER A 103 23.305 -20.416 -20.027 1.00 0.00 H new ATOM 1528 N GLY A 104 27.585 -22.224 -19.215 1.00 0.00 N ATOM 1529 CA GLY A 104 28.768 -22.788 -18.589 1.00 0.00 C ATOM 1530 C GLY A 104 29.107 -24.155 -19.189 1.00 0.00 C ATOM 1531 O GLY A 104 30.007 -24.841 -18.709 1.00 0.00 O ATOM 0 H GLY A 104 27.774 -21.506 -19.915 1.00 0.00 H new ATOM 0 HA2 GLY A 104 29.611 -22.110 -18.720 1.00 0.00 H new ATOM 0 HA3 GLY A 104 28.603 -22.888 -17.516 1.00 0.00 H new TER 1535 GLY A 104