USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 791 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 30 CYS SG : rot 160:sc= -0.164 USER MOD Set 1.2: A 33 CYS SG : rot 55:sc= -1.7 USER MOD Set 2.1: A 4 GLN : amide:sc= 0.528 K(o=-2.1,f=-7) USER MOD Set 2.2: A 6 LYS NZ :NH3+ -168:sc= 0.139 (180deg=-1.12) USER MOD Set 2.3: A 26 TYR OH : rot -121:sc= -2.74 USER MOD Set 3.1: A 1 MET N :NH3+ 140:sc= -0.0213 (180deg=-0.392) USER MOD Set 3.2: A 44 SER OG : rot -22:sc= 0.578 USER MOD Single : A 1 MET CE :methyl 144:sc= -0.199 (180deg=-0.799) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0348 USER MOD Single : A 7 THR OG1 : rot 29:sc= 0.283 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.46) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= -0.013 (180deg=-0.0994) USER MOD Single : A 28 THR OG1 : rot -139:sc= -1.89! USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= -0.0376 (180deg=-1.53!) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl -179:sc= -4.51! (180deg=-4.58!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -148:sc= -4.09! USER MOD Single : A 49 GLN : amide:sc= -1.03 K(o=-1,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -127:sc= -2.09! (180deg=-3.39!) USER MOD Single : A 65 GLN : amide:sc= -0.884! K(o=-0.88!,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -166:sc= -0.0157 (180deg=-0.227) USER MOD Single : A 67 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.021) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 138:sc= -2.1 (180deg=-7.63!) USER MOD Single : A 74 THR OG1 : rot 95:sc= -5.43! USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -2.29! (180deg=-5.03!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -165:sc= -0.0454 (180deg=-0.316) USER MOD Single : A 86 LYS NZ :NH3+ -109:sc= -3.69! (180deg=-6.57!) USER MOD Single : A 91 ASN : amide:sc= -2.04 X(o=-2,f=-2.4!) USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= -1.89 (180deg=-3.61!) USER MOD Single : A 97 GLN : amide:sc=-0.000759 X(o=-0.00076,f=0) USER MOD Single : A 102 ASN : amide:sc= -4.18! C(o=-4.2!,f=-8.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.508 12.127 3.539 1.00 0.00 N ATOM 2 CA MET A 1 -1.877 11.662 3.882 1.00 0.00 C ATOM 3 C MET A 1 -2.143 10.267 3.324 1.00 0.00 C ATOM 4 O MET A 1 -1.667 9.918 2.244 1.00 0.00 O ATOM 5 CB MET A 1 -2.887 12.661 3.312 1.00 0.00 C ATOM 6 CG MET A 1 -2.807 12.814 1.803 1.00 0.00 C ATOM 7 SD MET A 1 -3.997 14.008 1.160 1.00 0.00 S ATOM 8 CE MET A 1 -3.485 15.492 2.022 1.00 0.00 C ATOM 0 H1 MET A 1 -0.537 13.136 3.288 1.00 0.00 H new ATOM 0 H2 MET A 1 0.120 11.991 4.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.148 11.580 2.731 1.00 0.00 H new ATOM 0 HA MET A 1 -1.974 11.605 4.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.893 12.342 3.583 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.725 13.634 3.776 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.800 13.126 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.981 11.846 1.334 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.607 16.354 1.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.098 15.624 2.914 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.438 15.402 2.311 1.00 0.00 H new ATOM 20 N VAL A 2 -2.907 9.474 4.068 1.00 0.00 N ATOM 21 CA VAL A 2 -3.237 8.117 3.650 1.00 0.00 C ATOM 22 C VAL A 2 -4.674 8.037 3.144 1.00 0.00 C ATOM 23 O VAL A 2 -5.563 8.711 3.664 1.00 0.00 O ATOM 24 CB VAL A 2 -3.048 7.116 4.805 1.00 0.00 C ATOM 25 CG1 VAL A 2 -3.337 5.695 4.340 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.643 7.224 5.378 1.00 0.00 C ATOM 0 H VAL A 2 -3.309 9.748 4.964 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.556 7.855 2.840 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.758 7.363 5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.197 5.005 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -4.365 5.631 3.984 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.656 5.431 3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.527 6.510 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.914 7.006 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -1.480 8.234 5.755 1.00 0.00 H new ATOM 36 N THR A 3 -4.896 7.213 2.125 1.00 0.00 N ATOM 37 CA THR A 3 -6.227 7.052 1.551 1.00 0.00 C ATOM 38 C THR A 3 -6.417 5.650 0.980 1.00 0.00 C ATOM 39 O THR A 3 -5.475 5.038 0.476 1.00 0.00 O ATOM 40 CB THR A 3 -6.459 8.099 0.459 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.323 9.407 0.983 1.00 0.00 O ATOM 42 CG2 THR A 3 -7.827 8.001 -0.183 1.00 0.00 C ATOM 0 H THR A 3 -4.173 6.647 1.680 1.00 0.00 H new ATOM 0 HA THR A 3 -6.957 7.195 2.347 1.00 0.00 H new ATOM 0 HB THR A 3 -5.704 7.897 -0.301 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.473 10.062 0.270 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.926 8.771 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.945 7.018 -0.640 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.596 8.143 0.576 1.00 0.00 H new ATOM 50 N GLN A 4 -7.647 5.151 1.060 1.00 0.00 N ATOM 51 CA GLN A 4 -7.978 3.822 0.551 1.00 0.00 C ATOM 52 C GLN A 4 -8.413 3.908 -0.906 1.00 0.00 C ATOM 53 O GLN A 4 -8.570 4.999 -1.451 1.00 0.00 O ATOM 54 CB GLN A 4 -9.125 3.221 1.361 1.00 0.00 C ATOM 55 CG GLN A 4 -8.975 3.393 2.864 1.00 0.00 C ATOM 56 CD GLN A 4 -10.146 2.816 3.634 1.00 0.00 C ATOM 57 OE1 GLN A 4 -11.292 3.219 3.439 1.00 0.00 O ATOM 58 NE2 GLN A 4 -9.861 1.868 4.519 1.00 0.00 N ATOM 0 H GLN A 4 -8.435 5.649 1.474 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.091 3.195 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.061 3.682 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -9.200 2.158 1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.055 2.909 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.878 4.453 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.896 1.564 4.648 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.607 1.444 5.070 1.00 0.00 H new ATOM 67 N PHE A 5 -8.635 2.753 -1.528 1.00 0.00 N ATOM 68 CA PHE A 5 -9.086 2.719 -2.913 1.00 0.00 C ATOM 69 C PHE A 5 -10.396 1.951 -3.046 1.00 0.00 C ATOM 70 O PHE A 5 -10.494 0.792 -2.642 1.00 0.00 O ATOM 71 CB PHE A 5 -8.025 2.104 -3.825 1.00 0.00 C ATOM 72 CG PHE A 5 -6.801 2.959 -3.994 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.907 4.342 -4.053 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.551 2.380 -4.125 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.786 5.129 -4.236 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.427 3.162 -4.305 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.543 4.537 -4.362 1.00 0.00 C ATOM 0 H PHE A 5 -8.511 1.836 -1.098 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.255 3.750 -3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.728 1.137 -3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.465 1.918 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.876 4.808 -3.955 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.453 1.305 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.881 6.204 -4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.457 2.698 -4.401 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.664 5.149 -4.505 1.00 0.00 H new ATOM 87 N LYS A 6 -11.395 2.611 -3.621 1.00 0.00 N ATOM 88 CA LYS A 6 -12.706 2.002 -3.824 1.00 0.00 C ATOM 89 C LYS A 6 -12.947 1.724 -5.307 1.00 0.00 C ATOM 90 O LYS A 6 -13.718 0.836 -5.666 1.00 0.00 O ATOM 91 CB LYS A 6 -13.807 2.914 -3.276 1.00 0.00 C ATOM 92 CG LYS A 6 -13.683 3.182 -1.785 1.00 0.00 C ATOM 93 CD LYS A 6 -13.742 1.893 -0.980 1.00 0.00 C ATOM 94 CE LYS A 6 -13.605 2.159 0.509 1.00 0.00 C ATOM 95 NZ LYS A 6 -12.313 2.824 0.839 1.00 0.00 N ATOM 0 H LYS A 6 -11.322 3.572 -3.956 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.730 1.055 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.782 3.863 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.778 2.460 -3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.743 3.695 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.485 3.848 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.686 1.385 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -12.946 1.223 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.432 2.786 0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.678 1.218 1.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.166 2.805 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.534 2.321 0.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.337 3.811 0.511 1.00 0.00 H new ATOM 109 N THR A 7 -12.273 2.487 -6.161 1.00 0.00 N ATOM 110 CA THR A 7 -12.401 2.321 -7.604 1.00 0.00 C ATOM 111 C THR A 7 -11.024 2.225 -8.249 1.00 0.00 C ATOM 112 O THR A 7 -10.192 3.118 -8.091 1.00 0.00 O ATOM 113 CB THR A 7 -13.184 3.488 -8.207 1.00 0.00 C ATOM 114 OG1 THR A 7 -12.523 4.717 -7.959 1.00 0.00 O ATOM 115 CG2 THR A 7 -14.591 3.609 -7.666 1.00 0.00 C ATOM 0 H THR A 7 -11.631 3.228 -5.878 1.00 0.00 H new ATOM 0 HA THR A 7 -12.945 1.397 -7.799 1.00 0.00 H new ATOM 0 HB THR A 7 -13.239 3.276 -9.275 1.00 0.00 H new ATOM 0 HG1 THR A 7 -11.558 4.562 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 7 -15.090 4.457 -8.136 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.145 2.696 -7.884 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.554 3.762 -6.587 1.00 0.00 H new ATOM 123 N ALA A 8 -10.784 1.134 -8.972 1.00 0.00 N ATOM 124 CA ALA A 8 -9.500 0.926 -9.634 1.00 0.00 C ATOM 125 C ALA A 8 -9.089 2.146 -10.446 1.00 0.00 C ATOM 126 O ALA A 8 -7.901 2.396 -10.650 1.00 0.00 O ATOM 127 CB ALA A 8 -9.549 -0.313 -10.515 1.00 0.00 C ATOM 0 H ALA A 8 -11.459 0.383 -9.114 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.747 0.774 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -8.583 -0.453 -11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.777 -1.186 -9.903 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.322 -0.190 -11.273 1.00 0.00 H new ATOM 133 N SER A 9 -10.075 2.914 -10.889 1.00 0.00 N ATOM 134 CA SER A 9 -9.812 4.121 -11.656 1.00 0.00 C ATOM 135 C SER A 9 -8.929 5.074 -10.863 1.00 0.00 C ATOM 136 O SER A 9 -8.293 5.966 -11.424 1.00 0.00 O ATOM 137 CB SER A 9 -11.124 4.828 -11.984 1.00 0.00 C ATOM 138 OG SER A 9 -10.913 5.918 -12.864 1.00 0.00 O ATOM 0 H SER A 9 -11.064 2.722 -10.730 1.00 0.00 H new ATOM 0 HA SER A 9 -9.303 3.835 -12.577 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.818 4.120 -12.438 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.588 5.184 -11.064 1.00 0.00 H new ATOM 0 HG SER A 9 -11.770 6.352 -13.059 1.00 0.00 H new ATOM 144 N GLU A 10 -8.915 4.890 -9.546 1.00 0.00 N ATOM 145 CA GLU A 10 -8.139 5.739 -8.667 1.00 0.00 C ATOM 146 C GLU A 10 -6.737 5.189 -8.453 1.00 0.00 C ATOM 147 O GLU A 10 -5.749 5.919 -8.521 1.00 0.00 O ATOM 148 CB GLU A 10 -8.863 5.889 -7.331 1.00 0.00 C ATOM 149 CG GLU A 10 -8.202 6.874 -6.390 1.00 0.00 C ATOM 150 CD GLU A 10 -8.078 8.261 -6.990 1.00 0.00 C ATOM 151 OE1 GLU A 10 -9.122 8.855 -7.332 1.00 0.00 O ATOM 152 OE2 GLU A 10 -6.937 8.753 -7.116 1.00 0.00 O ATOM 0 H GLU A 10 -9.437 4.155 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.037 6.717 -9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.888 6.209 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.916 4.915 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.779 6.932 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.211 6.507 -6.124 1.00 0.00 H new ATOM 159 N PHE A 11 -6.664 3.896 -8.196 1.00 0.00 N ATOM 160 CA PHE A 11 -5.391 3.230 -7.968 1.00 0.00 C ATOM 161 C PHE A 11 -4.653 3.009 -9.288 1.00 0.00 C ATOM 162 O PHE A 11 -3.430 2.870 -9.314 1.00 0.00 O ATOM 163 CB PHE A 11 -5.616 1.890 -7.261 1.00 0.00 C ATOM 164 CG PHE A 11 -4.371 1.293 -6.652 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.149 1.951 -6.722 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.431 0.071 -5.999 1.00 0.00 C ATOM 167 CE1 PHE A 11 -2.019 1.401 -6.156 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.300 -0.481 -5.430 1.00 0.00 C ATOM 169 CZ PHE A 11 -2.095 0.185 -5.509 1.00 0.00 C ATOM 0 H PHE A 11 -7.476 3.281 -8.139 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.778 3.869 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.360 2.027 -6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.033 1.181 -7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.084 2.904 -7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.372 -0.455 -5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.075 1.922 -6.219 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.359 -1.433 -4.924 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.210 -0.246 -5.064 1.00 0.00 H new ATOM 179 N ASP A 12 -5.404 2.979 -10.385 1.00 0.00 N ATOM 180 CA ASP A 12 -4.821 2.777 -11.706 1.00 0.00 C ATOM 181 C ASP A 12 -3.890 3.929 -12.074 1.00 0.00 C ATOM 182 O ASP A 12 -2.844 3.722 -12.689 1.00 0.00 O ATOM 183 CB ASP A 12 -5.925 2.645 -12.758 1.00 0.00 C ATOM 184 CG ASP A 12 -5.376 2.383 -14.148 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.609 3.229 -14.652 1.00 0.00 O ATOM 186 OD2 ASP A 12 -5.714 1.331 -14.730 1.00 0.00 O ATOM 0 H ASP A 12 -6.418 3.092 -10.385 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.238 1.856 -11.680 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.595 1.833 -12.477 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.520 3.558 -12.772 1.00 0.00 H new ATOM 191 N SER A 13 -4.278 5.143 -11.696 1.00 0.00 N ATOM 192 CA SER A 13 -3.480 6.329 -11.987 1.00 0.00 C ATOM 193 C SER A 13 -2.453 6.586 -10.890 1.00 0.00 C ATOM 194 O SER A 13 -1.409 7.192 -11.135 1.00 0.00 O ATOM 195 CB SER A 13 -4.387 7.550 -12.148 1.00 0.00 C ATOM 196 OG SER A 13 -5.311 7.365 -13.206 1.00 0.00 O ATOM 0 H SER A 13 -5.141 5.331 -11.187 1.00 0.00 H new ATOM 0 HA SER A 13 -2.945 6.153 -12.920 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.926 7.731 -11.218 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.780 8.434 -12.342 1.00 0.00 H new ATOM 0 HG SER A 13 -5.880 8.159 -13.286 1.00 0.00 H new ATOM 202 N ALA A 14 -2.752 6.125 -9.678 1.00 0.00 N ATOM 203 CA ALA A 14 -1.853 6.310 -8.545 1.00 0.00 C ATOM 204 C ALA A 14 -0.441 5.828 -8.869 1.00 0.00 C ATOM 205 O ALA A 14 0.542 6.373 -8.368 1.00 0.00 O ATOM 206 CB ALA A 14 -2.391 5.582 -7.322 1.00 0.00 C ATOM 0 H ALA A 14 -3.610 5.621 -9.457 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.800 7.377 -8.330 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.711 5.728 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.373 5.978 -7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.475 4.517 -7.540 1.00 0.00 H new ATOM 212 N ILE A 15 -0.350 4.806 -9.713 1.00 0.00 N ATOM 213 CA ILE A 15 0.939 4.252 -10.105 1.00 0.00 C ATOM 214 C ILE A 15 1.485 4.943 -11.346 1.00 0.00 C ATOM 215 O ILE A 15 2.652 5.327 -11.384 1.00 0.00 O ATOM 216 CB ILE A 15 0.850 2.730 -10.358 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.138 2.417 -11.484 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.446 2.011 -9.078 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.329 0.934 -11.726 1.00 0.00 C ATOM 0 H ILE A 15 -1.154 4.345 -10.138 1.00 0.00 H new ATOM 0 HA ILE A 15 1.622 4.428 -9.274 1.00 0.00 H new ATOM 0 HB ILE A 15 1.833 2.375 -10.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.102 2.865 -11.245 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.212 2.885 -12.404 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.386 0.939 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.189 2.202 -8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.526 2.376 -8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.042 0.787 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.626 0.483 -11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.709 0.463 -10.819 1.00 0.00 H new ATOM 231 N ALA A 16 0.642 5.091 -12.362 1.00 0.00 N ATOM 232 CA ALA A 16 1.047 5.724 -13.615 1.00 0.00 C ATOM 233 C ALA A 16 1.888 6.977 -13.386 1.00 0.00 C ATOM 234 O ALA A 16 1.357 8.065 -13.164 1.00 0.00 O ATOM 235 CB ALA A 16 -0.177 6.052 -14.458 1.00 0.00 C ATOM 0 H ALA A 16 -0.329 4.781 -12.344 1.00 0.00 H new ATOM 0 HA ALA A 16 1.674 5.011 -14.151 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.138 6.523 -15.389 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.721 5.134 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.826 6.734 -13.908 1.00 0.00 H new ATOM 241 N GLN A 17 3.208 6.812 -13.460 1.00 0.00 N ATOM 242 CA GLN A 17 4.139 7.920 -13.282 1.00 0.00 C ATOM 243 C GLN A 17 3.762 8.773 -12.075 1.00 0.00 C ATOM 244 O GLN A 17 3.045 9.766 -12.206 1.00 0.00 O ATOM 245 CB GLN A 17 4.165 8.775 -14.544 1.00 0.00 C ATOM 246 CG GLN A 17 4.660 8.017 -15.762 1.00 0.00 C ATOM 247 CD GLN A 17 6.162 7.815 -15.757 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.928 8.776 -15.712 1.00 0.00 O ATOM 249 NE2 GLN A 17 6.590 6.559 -15.809 1.00 0.00 N ATOM 0 H GLN A 17 3.657 5.915 -13.643 1.00 0.00 H new ATOM 0 HA GLN A 17 5.132 7.508 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.162 9.153 -14.741 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.805 9.641 -14.377 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.167 7.046 -15.805 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.374 8.559 -16.663 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.918 5.792 -15.845 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.591 6.361 -15.813 1.00 0.00 H new ATOM 258 N ASP A 18 4.246 8.382 -10.901 1.00 0.00 N ATOM 259 CA ASP A 18 3.952 9.117 -9.682 1.00 0.00 C ATOM 260 C ASP A 18 4.852 8.673 -8.532 1.00 0.00 C ATOM 261 O ASP A 18 4.399 8.542 -7.395 1.00 0.00 O ATOM 262 CB ASP A 18 2.481 8.940 -9.299 1.00 0.00 C ATOM 263 CG ASP A 18 2.094 9.761 -8.084 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.221 11.002 -8.140 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.663 9.161 -7.075 1.00 0.00 O ATOM 0 H ASP A 18 4.841 7.564 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 18 4.148 10.172 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.852 9.226 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.285 7.887 -9.099 1.00 0.00 H new ATOM 270 N LYS A 19 6.131 8.453 -8.829 1.00 0.00 N ATOM 271 CA LYS A 19 7.084 8.042 -7.809 1.00 0.00 C ATOM 272 C LYS A 19 6.699 6.680 -7.238 1.00 0.00 C ATOM 273 O LYS A 19 6.010 5.898 -7.893 1.00 0.00 O ATOM 274 CB LYS A 19 7.142 9.112 -6.712 1.00 0.00 C ATOM 275 CG LYS A 19 7.649 10.465 -7.193 1.00 0.00 C ATOM 276 CD LYS A 19 6.655 11.153 -8.117 1.00 0.00 C ATOM 277 CE LYS A 19 7.103 12.562 -8.466 1.00 0.00 C ATOM 278 NZ LYS A 19 8.425 12.575 -9.150 1.00 0.00 N ATOM 0 H LYS A 19 6.527 8.553 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 19 8.075 7.942 -8.252 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.145 9.238 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.787 8.759 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.846 11.105 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.597 10.332 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.542 10.569 -9.031 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.676 11.189 -7.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.358 13.030 -9.109 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.160 13.160 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.638 13.540 -9.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.162 12.263 -8.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.400 11.932 -9.967 1.00 0.00 H new ATOM 292 N LEU A 20 7.152 6.398 -6.027 1.00 0.00 N ATOM 293 CA LEU A 20 6.861 5.126 -5.380 1.00 0.00 C ATOM 294 C LEU A 20 5.691 5.269 -4.418 1.00 0.00 C ATOM 295 O LEU A 20 5.768 5.994 -3.427 1.00 0.00 O ATOM 296 CB LEU A 20 8.087 4.629 -4.616 1.00 0.00 C ATOM 297 CG LEU A 20 7.884 3.313 -3.866 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.588 2.181 -4.839 1.00 0.00 C ATOM 299 CD2 LEU A 20 9.105 2.992 -3.016 1.00 0.00 C ATOM 0 H LEU A 20 7.724 7.033 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 20 6.599 4.404 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.911 4.507 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.388 5.395 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 20 7.025 3.422 -3.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.447 1.253 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.682 2.411 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.423 2.068 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.944 2.052 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.982 2.903 -3.658 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.265 3.791 -2.292 1.00 0.00 H new ATOM 311 N VAL A 21 4.605 4.572 -4.724 1.00 0.00 N ATOM 312 CA VAL A 21 3.407 4.616 -3.898 1.00 0.00 C ATOM 313 C VAL A 21 3.288 3.364 -3.035 1.00 0.00 C ATOM 314 O VAL A 21 3.464 2.244 -3.518 1.00 0.00 O ATOM 315 CB VAL A 21 2.139 4.758 -4.762 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.897 4.854 -3.887 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.250 5.967 -5.682 1.00 0.00 C ATOM 0 H VAL A 21 4.530 3.967 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 21 3.497 5.489 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 21 2.046 3.866 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.014 4.954 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.809 3.953 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.977 5.724 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.345 6.050 -6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.372 6.870 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.112 5.847 -6.338 1.00 0.00 H new ATOM 327 N VAL A 22 2.984 3.562 -1.758 1.00 0.00 N ATOM 328 CA VAL A 22 2.833 2.453 -0.824 1.00 0.00 C ATOM 329 C VAL A 22 1.359 2.135 -0.608 1.00 0.00 C ATOM 330 O VAL A 22 0.657 2.853 0.106 1.00 0.00 O ATOM 331 CB VAL A 22 3.484 2.773 0.534 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.410 1.570 1.463 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.923 3.221 0.340 1.00 0.00 C ATOM 0 H VAL A 22 2.837 4.483 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 22 3.335 1.589 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 22 2.932 3.590 0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.876 1.818 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.367 1.301 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.935 0.728 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.369 3.443 1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.489 2.426 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.945 4.115 -0.283 1.00 0.00 H new ATOM 343 N VAL A 23 0.889 1.061 -1.234 1.00 0.00 N ATOM 344 CA VAL A 23 -0.507 0.665 -1.113 1.00 0.00 C ATOM 345 C VAL A 23 -0.648 -0.666 -0.383 1.00 0.00 C ATOM 346 O VAL A 23 -0.033 -1.664 -0.762 1.00 0.00 O ATOM 347 CB VAL A 23 -1.178 0.559 -2.495 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.674 0.317 -2.350 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.900 1.814 -3.314 1.00 0.00 C ATOM 0 H VAL A 23 1.453 0.452 -1.828 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.006 1.441 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.754 -0.294 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.128 0.245 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.841 -0.612 -1.805 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.125 1.145 -1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.380 1.726 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.296 2.685 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.175 1.930 -3.448 1.00 0.00 H new ATOM 359 N ASP A 24 -1.465 -0.673 0.665 1.00 0.00 N ATOM 360 CA ASP A 24 -1.695 -1.877 1.455 1.00 0.00 C ATOM 361 C ASP A 24 -3.009 -2.546 1.049 1.00 0.00 C ATOM 362 O ASP A 24 -4.029 -1.881 0.884 1.00 0.00 O ATOM 363 CB ASP A 24 -1.722 -1.533 2.946 1.00 0.00 C ATOM 364 CG ASP A 24 -1.964 -2.749 3.821 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.133 -3.680 3.787 1.00 0.00 O ATOM 366 OD2 ASP A 24 -2.985 -2.769 4.539 1.00 0.00 O ATOM 0 H ASP A 24 -1.981 0.145 0.988 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.878 -2.573 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.775 -1.071 3.226 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.503 -0.796 3.131 1.00 0.00 H new ATOM 371 N PHE A 25 -2.974 -3.866 0.892 1.00 0.00 N ATOM 372 CA PHE A 25 -4.148 -4.628 0.507 1.00 0.00 C ATOM 373 C PHE A 25 -4.795 -5.279 1.730 1.00 0.00 C ATOM 374 O PHE A 25 -5.132 -6.461 1.708 1.00 0.00 O ATOM 375 CB PHE A 25 -3.737 -5.700 -0.502 1.00 0.00 C ATOM 376 CG PHE A 25 -3.499 -5.188 -1.895 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.583 -4.176 -2.151 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.178 -5.755 -2.953 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.358 -3.741 -3.447 1.00 0.00 C ATOM 380 CE2 PHE A 25 -3.962 -5.326 -4.244 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.051 -4.318 -4.493 1.00 0.00 C ATOM 0 H PHE A 25 -2.135 -4.430 1.028 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.878 -3.956 0.055 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.828 -6.185 -0.147 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.513 -6.464 -0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.042 -3.724 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -4.889 -6.546 -2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.644 -2.954 -3.638 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.505 -5.778 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.881 -3.981 -5.505 1.00 0.00 H new ATOM 391 N TYR A 26 -4.965 -4.497 2.797 1.00 0.00 N ATOM 392 CA TYR A 26 -5.569 -5.000 4.030 1.00 0.00 C ATOM 393 C TYR A 26 -6.840 -5.796 3.753 1.00 0.00 C ATOM 394 O TYR A 26 -7.627 -5.448 2.879 1.00 0.00 O ATOM 395 CB TYR A 26 -5.857 -3.853 5.002 1.00 0.00 C ATOM 396 CG TYR A 26 -6.483 -2.633 4.364 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.686 -2.717 3.676 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.864 -1.394 4.456 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.257 -1.600 3.097 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.427 -0.273 3.884 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.625 -0.379 3.205 1.00 0.00 C ATOM 402 OH TYR A 26 -8.186 0.738 2.629 1.00 0.00 O ATOM 0 H TYR A 26 -4.693 -3.514 2.832 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.849 -5.676 4.491 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.519 -4.217 5.788 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.924 -3.558 5.483 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.184 -3.672 3.592 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.926 -1.307 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.192 -1.683 2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.933 0.684 3.967 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.559 1.122 1.981 1.00 0.00 H new ATOM 412 N ALA A 27 -7.017 -6.878 4.503 1.00 0.00 N ATOM 413 CA ALA A 27 -8.175 -7.749 4.339 1.00 0.00 C ATOM 414 C ALA A 27 -9.460 -7.084 4.802 1.00 0.00 C ATOM 415 O ALA A 27 -9.522 -6.513 5.890 1.00 0.00 O ATOM 416 CB ALA A 27 -7.960 -9.051 5.096 1.00 0.00 C ATOM 0 H ALA A 27 -6.370 -7.174 5.234 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.279 -7.958 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.830 -9.695 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.075 -9.555 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.820 -8.837 6.156 1.00 0.00 H new ATOM 422 N THR A 28 -10.496 -7.194 3.979 1.00 0.00 N ATOM 423 CA THR A 28 -11.793 -6.633 4.318 1.00 0.00 C ATOM 424 C THR A 28 -12.349 -7.331 5.557 1.00 0.00 C ATOM 425 O THR A 28 -13.222 -6.809 6.251 1.00 0.00 O ATOM 426 CB THR A 28 -12.769 -6.789 3.153 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.069 -6.374 3.538 1.00 0.00 O ATOM 428 CG2 THR A 28 -12.878 -8.209 2.641 1.00 0.00 C ATOM 0 H THR A 28 -10.461 -7.666 3.075 1.00 0.00 H new ATOM 0 HA THR A 28 -11.669 -5.570 4.525 1.00 0.00 H new ATOM 0 HB THR A 28 -12.367 -6.165 2.354 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.733 -6.994 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.588 -8.244 1.815 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.901 -8.547 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.223 -8.860 3.444 1.00 0.00 H new ATOM 436 N TRP A 29 -11.819 -8.523 5.817 1.00 0.00 N ATOM 437 CA TRP A 29 -12.219 -9.342 6.956 1.00 0.00 C ATOM 438 C TRP A 29 -11.251 -9.128 8.134 1.00 0.00 C ATOM 439 O TRP A 29 -11.011 -7.992 8.542 1.00 0.00 O ATOM 440 CB TRP A 29 -12.267 -10.825 6.526 1.00 0.00 C ATOM 441 CG TRP A 29 -11.156 -11.189 5.581 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.167 -11.046 4.224 1.00 0.00 C ATOM 443 CD2 TRP A 29 -9.856 -11.700 5.917 1.00 0.00 C ATOM 444 NE1 TRP A 29 -9.967 -11.443 3.693 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.143 -11.844 4.711 1.00 0.00 C ATOM 446 CE3 TRP A 29 -9.221 -12.051 7.115 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -7.837 -12.316 4.673 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -7.929 -12.515 7.074 1.00 0.00 C ATOM 449 CH2 TRP A 29 -7.248 -12.641 5.861 1.00 0.00 C ATOM 0 H TRP A 29 -11.095 -8.950 5.239 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.213 -9.046 7.291 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.208 -11.458 7.411 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.226 -11.031 6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.002 -10.673 3.650 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.727 -11.440 2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.740 -11.958 8.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.307 -12.422 3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.432 -12.787 7.994 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.231 -13.004 5.863 1.00 0.00 H new ATOM 460 N CYS A 30 -10.693 -10.217 8.664 1.00 0.00 N ATOM 461 CA CYS A 30 -9.749 -10.159 9.774 1.00 0.00 C ATOM 462 C CYS A 30 -10.270 -9.277 10.914 1.00 0.00 C ATOM 463 O CYS A 30 -10.928 -9.767 11.833 1.00 0.00 O ATOM 464 CB CYS A 30 -8.395 -9.657 9.282 1.00 0.00 C ATOM 465 SG CYS A 30 -7.137 -9.539 10.576 1.00 0.00 S ATOM 0 H CYS A 30 -10.885 -11.163 8.334 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.633 -11.168 10.170 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.034 -10.325 8.499 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -8.527 -8.675 8.828 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.956 -9.525 10.033 1.00 0.00 H new ATOM 471 N GLY A 31 -9.976 -7.977 10.856 1.00 0.00 N ATOM 472 CA GLY A 31 -10.429 -7.067 11.892 1.00 0.00 C ATOM 473 C GLY A 31 -9.488 -5.889 12.090 1.00 0.00 C ATOM 474 O GLY A 31 -9.771 -4.784 11.631 1.00 0.00 O ATOM 0 H GLY A 31 -9.433 -7.541 10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.421 -6.695 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.526 -7.611 12.831 1.00 0.00 H new ATOM 478 N PRO A 32 -8.355 -6.098 12.785 1.00 0.00 N ATOM 479 CA PRO A 32 -7.375 -5.034 13.048 1.00 0.00 C ATOM 480 C PRO A 32 -6.663 -4.539 11.789 1.00 0.00 C ATOM 481 O PRO A 32 -5.908 -3.568 11.842 1.00 0.00 O ATOM 482 CB PRO A 32 -6.373 -5.698 13.996 1.00 0.00 C ATOM 483 CG PRO A 32 -6.501 -7.157 13.728 1.00 0.00 C ATOM 484 CD PRO A 32 -7.945 -7.384 13.379 1.00 0.00 C ATOM 0 HA PRO A 32 -7.858 -4.146 13.456 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.358 -5.349 13.806 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.600 -5.466 15.037 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.848 -7.463 12.910 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.213 -7.742 14.602 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.064 -8.208 12.676 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.539 -7.628 14.260 1.00 0.00 H new ATOM 492 N CYS A 33 -6.899 -5.203 10.658 1.00 0.00 N ATOM 493 CA CYS A 33 -6.268 -4.811 9.399 1.00 0.00 C ATOM 494 C CYS A 33 -6.444 -3.317 9.127 1.00 0.00 C ATOM 495 O CYS A 33 -5.562 -2.676 8.553 1.00 0.00 O ATOM 496 CB CYS A 33 -6.847 -5.617 8.236 1.00 0.00 C ATOM 497 SG CYS A 33 -6.365 -7.356 8.231 1.00 0.00 S ATOM 0 H CYS A 33 -7.519 -6.010 10.588 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.202 -5.021 9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.935 -5.553 8.270 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -6.530 -5.161 7.298 1.00 0.00 H new ATOM 0 HG CYS A 33 -6.678 -7.896 9.371 1.00 0.00 H new ATOM 503 N LYS A 34 -7.585 -2.772 9.535 1.00 0.00 N ATOM 504 CA LYS A 34 -7.871 -1.354 9.328 1.00 0.00 C ATOM 505 C LYS A 34 -7.112 -0.475 10.323 1.00 0.00 C ATOM 506 O LYS A 34 -7.149 0.752 10.230 1.00 0.00 O ATOM 507 CB LYS A 34 -9.374 -1.094 9.439 1.00 0.00 C ATOM 508 CG LYS A 34 -10.196 -1.844 8.403 1.00 0.00 C ATOM 509 CD LYS A 34 -9.799 -1.457 6.988 1.00 0.00 C ATOM 510 CE LYS A 34 -10.614 -2.216 5.953 1.00 0.00 C ATOM 511 NZ LYS A 34 -10.429 -3.689 6.070 1.00 0.00 N ATOM 0 H LYS A 34 -8.326 -3.288 10.010 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.534 -1.092 8.325 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.712 -1.379 10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.559 -0.025 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.062 -2.917 8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.255 -1.633 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.941 -0.385 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.739 -1.660 6.838 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.670 -1.972 6.073 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.323 -1.892 4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.255 -4.093 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.617 -3.889 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.286 -4.115 6.476 1.00 0.00 H new ATOM 525 N MET A 35 -6.414 -1.106 11.264 1.00 0.00 N ATOM 526 CA MET A 35 -5.638 -0.373 12.260 1.00 0.00 C ATOM 527 C MET A 35 -4.290 0.061 11.682 1.00 0.00 C ATOM 528 O MET A 35 -3.459 0.641 12.382 1.00 0.00 O ATOM 529 CB MET A 35 -5.422 -1.244 13.498 1.00 0.00 C ATOM 530 CG MET A 35 -4.711 -0.531 14.638 1.00 0.00 C ATOM 531 SD MET A 35 -4.565 -1.558 16.113 1.00 0.00 S ATOM 532 CE MET A 35 -3.717 -0.435 17.221 1.00 0.00 C ATOM 0 H MET A 35 -6.370 -2.121 11.357 1.00 0.00 H new ATOM 0 HA MET A 35 -6.195 0.520 12.544 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.389 -1.600 13.853 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.843 -2.123 13.215 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.716 -0.230 14.309 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.254 0.381 14.887 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.553 -0.925 18.181 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.757 -0.153 16.789 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.324 0.458 17.369 1.00 0.00 H new ATOM 542 N ILE A 36 -4.080 -0.233 10.402 1.00 0.00 N ATOM 543 CA ILE A 36 -2.844 0.114 9.717 1.00 0.00 C ATOM 544 C ILE A 36 -2.895 1.534 9.148 1.00 0.00 C ATOM 545 O ILE A 36 -1.866 2.106 8.789 1.00 0.00 O ATOM 546 CB ILE A 36 -2.562 -0.884 8.577 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.488 -2.309 9.127 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.276 -0.521 7.856 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.207 -3.351 8.066 1.00 0.00 C ATOM 0 H ILE A 36 -4.760 -0.716 9.815 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.041 0.066 10.452 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.381 -0.832 7.859 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.708 -2.357 9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.430 -2.549 9.621 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.094 -1.237 7.055 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.365 0.480 7.435 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.445 -0.545 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.168 -4.338 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.999 -3.331 7.317 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.251 -3.136 7.589 1.00 0.00 H new ATOM 561 N ALA A 37 -4.095 2.102 9.077 1.00 0.00 N ATOM 562 CA ALA A 37 -4.275 3.454 8.559 1.00 0.00 C ATOM 563 C ALA A 37 -3.383 4.473 9.276 1.00 0.00 C ATOM 564 O ALA A 37 -2.804 5.346 8.631 1.00 0.00 O ATOM 565 CB ALA A 37 -5.734 3.868 8.669 1.00 0.00 C ATOM 0 H ALA A 37 -4.958 1.646 9.372 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.978 3.442 7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.856 4.879 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.352 3.180 8.092 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.042 3.843 9.714 1.00 0.00 H new ATOM 571 N PRO A 38 -3.254 4.389 10.616 1.00 0.00 N ATOM 572 CA PRO A 38 -2.423 5.329 11.367 1.00 0.00 C ATOM 573 C PRO A 38 -0.941 5.100 11.112 1.00 0.00 C ATOM 574 O PRO A 38 -0.180 6.052 10.941 1.00 0.00 O ATOM 575 CB PRO A 38 -2.778 5.054 12.829 1.00 0.00 C ATOM 576 CG PRO A 38 -3.308 3.661 12.852 1.00 0.00 C ATOM 577 CD PRO A 38 -3.894 3.390 11.490 1.00 0.00 C ATOM 0 HA PRO A 38 -2.608 6.363 11.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.903 5.152 13.471 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.521 5.763 13.193 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.514 2.950 13.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.066 3.550 13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.678 2.374 11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.978 3.500 11.494 1.00 0.00 H new ATOM 585 N MET A 39 -0.535 3.836 11.059 1.00 0.00 N ATOM 586 CA MET A 39 0.840 3.496 10.796 1.00 0.00 C ATOM 587 C MET A 39 1.233 3.979 9.406 1.00 0.00 C ATOM 588 O MET A 39 2.188 4.735 9.249 1.00 0.00 O ATOM 589 CB MET A 39 1.017 1.988 10.914 1.00 0.00 C ATOM 590 CG MET A 39 0.906 1.471 12.328 1.00 0.00 C ATOM 591 SD MET A 39 1.263 -0.291 12.462 1.00 0.00 S ATOM 592 CE MET A 39 0.005 -0.978 11.387 1.00 0.00 C ATOM 0 H MET A 39 -1.149 3.034 11.197 1.00 0.00 H new ATOM 0 HA MET A 39 1.488 3.984 11.524 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.267 1.494 10.296 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.992 1.713 10.512 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.593 2.025 12.967 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.100 1.662 12.701 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.086 -2.065 11.381 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.981 -0.690 11.751 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.144 -0.598 10.375 1.00 0.00 H new ATOM 602 N ILE A 40 0.467 3.558 8.402 1.00 0.00 N ATOM 603 CA ILE A 40 0.713 3.965 7.023 1.00 0.00 C ATOM 604 C ILE A 40 0.930 5.476 6.933 1.00 0.00 C ATOM 605 O ILE A 40 1.623 5.964 6.041 1.00 0.00 O ATOM 606 CB ILE A 40 -0.465 3.560 6.104 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.574 2.039 6.013 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.306 4.161 4.713 1.00 0.00 C ATOM 609 CD1 ILE A 40 -1.736 1.568 5.160 1.00 0.00 C ATOM 0 H ILE A 40 -0.331 2.934 8.520 1.00 0.00 H new ATOM 0 HA ILE A 40 1.615 3.453 6.688 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.383 3.953 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.353 1.640 5.603 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.681 1.629 7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.147 3.860 4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.279 5.248 4.787 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.623 3.805 4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.754 0.478 5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.670 1.938 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.620 1.949 4.145 1.00 0.00 H new ATOM 621 N GLU A 41 0.328 6.205 7.866 1.00 0.00 N ATOM 622 CA GLU A 41 0.444 7.658 7.903 1.00 0.00 C ATOM 623 C GLU A 41 1.770 8.090 8.528 1.00 0.00 C ATOM 624 O GLU A 41 2.339 9.114 8.151 1.00 0.00 O ATOM 625 CB GLU A 41 -0.724 8.249 8.694 1.00 0.00 C ATOM 626 CG GLU A 41 -0.677 9.763 8.815 1.00 0.00 C ATOM 627 CD GLU A 41 -1.843 10.320 9.610 1.00 0.00 C ATOM 628 OE1 GLU A 41 -1.983 9.950 10.795 1.00 0.00 O ATOM 629 OE2 GLU A 41 -2.613 11.126 9.048 1.00 0.00 O ATOM 0 H GLU A 41 -0.248 5.811 8.610 1.00 0.00 H new ATOM 0 HA GLU A 41 0.416 8.030 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.659 7.961 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.732 7.814 9.693 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.258 10.057 9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.678 10.204 7.818 1.00 0.00 H new ATOM 636 N LYS A 42 2.250 7.306 9.487 1.00 0.00 N ATOM 637 CA LYS A 42 3.503 7.611 10.169 1.00 0.00 C ATOM 638 C LYS A 42 4.700 7.504 9.226 1.00 0.00 C ATOM 639 O LYS A 42 5.753 8.089 9.481 1.00 0.00 O ATOM 640 CB LYS A 42 3.698 6.672 11.363 1.00 0.00 C ATOM 641 CG LYS A 42 2.646 6.832 12.441 1.00 0.00 C ATOM 642 CD LYS A 42 2.895 5.874 13.592 1.00 0.00 C ATOM 643 CE LYS A 42 1.844 6.034 14.670 1.00 0.00 C ATOM 644 NZ LYS A 42 2.068 5.103 15.810 1.00 0.00 N ATOM 0 H LYS A 42 1.791 6.454 9.810 1.00 0.00 H new ATOM 0 HA LYS A 42 3.443 8.641 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.689 5.641 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.681 6.851 11.798 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.651 7.858 12.810 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.658 6.650 12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.889 4.848 13.223 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.884 6.056 14.013 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.852 7.061 15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.857 5.854 14.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.327 5.245 16.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.035 4.121 15.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.999 5.291 16.234 1.00 0.00 H new ATOM 658 N PHE A 43 4.539 6.754 8.139 1.00 0.00 N ATOM 659 CA PHE A 43 5.617 6.578 7.170 1.00 0.00 C ATOM 660 C PHE A 43 5.572 7.646 6.081 1.00 0.00 C ATOM 661 O PHE A 43 6.560 7.872 5.384 1.00 0.00 O ATOM 662 CB PHE A 43 5.549 5.186 6.541 1.00 0.00 C ATOM 663 CG PHE A 43 5.790 4.071 7.519 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.941 3.885 8.598 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.866 3.213 7.362 1.00 0.00 C ATOM 666 CE1 PHE A 43 5.160 2.862 9.502 1.00 0.00 C ATOM 667 CE2 PHE A 43 7.090 2.188 8.262 1.00 0.00 C ATOM 668 CZ PHE A 43 6.236 2.013 9.333 1.00 0.00 C ATOM 0 H PHE A 43 3.677 6.261 7.908 1.00 0.00 H new ATOM 0 HA PHE A 43 6.560 6.682 7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.569 5.051 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.286 5.122 5.741 1.00 0.00 H new ATOM 0 HD1 PHE A 43 4.098 4.547 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.538 3.346 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.491 2.727 10.339 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.932 1.525 8.128 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.409 1.213 10.038 1.00 0.00 H new ATOM 678 N SER A 44 4.427 8.303 5.940 1.00 0.00 N ATOM 679 CA SER A 44 4.270 9.347 4.935 1.00 0.00 C ATOM 680 C SER A 44 5.001 10.625 5.347 1.00 0.00 C ATOM 681 O SER A 44 5.088 11.575 4.569 1.00 0.00 O ATOM 682 CB SER A 44 2.787 9.645 4.704 1.00 0.00 C ATOM 683 OG SER A 44 2.618 10.659 3.730 1.00 0.00 O ATOM 0 H SER A 44 3.596 8.132 6.507 1.00 0.00 H new ATOM 0 HA SER A 44 4.711 8.985 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.276 8.738 4.382 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.325 9.955 5.641 1.00 0.00 H new ATOM 0 HG SER A 44 3.436 11.195 3.670 1.00 0.00 H new ATOM 689 N GLU A 45 5.524 10.645 6.571 1.00 0.00 N ATOM 690 CA GLU A 45 6.244 11.809 7.074 1.00 0.00 C ATOM 691 C GLU A 45 7.733 11.714 6.753 1.00 0.00 C ATOM 692 O GLU A 45 8.414 12.729 6.613 1.00 0.00 O ATOM 693 CB GLU A 45 6.043 11.944 8.585 1.00 0.00 C ATOM 694 CG GLU A 45 4.588 12.114 8.992 1.00 0.00 C ATOM 695 CD GLU A 45 4.412 12.249 10.493 1.00 0.00 C ATOM 696 OE1 GLU A 45 5.429 12.208 11.219 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.257 12.395 10.944 1.00 0.00 O ATOM 0 H GLU A 45 5.462 9.869 7.230 1.00 0.00 H new ATOM 0 HA GLU A 45 5.843 12.693 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.449 11.060 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.615 12.800 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.179 12.997 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.014 11.258 8.638 1.00 0.00 H new ATOM 704 N GLN A 46 8.234 10.486 6.642 1.00 0.00 N ATOM 705 CA GLN A 46 9.644 10.259 6.344 1.00 0.00 C ATOM 706 C GLN A 46 9.894 10.165 4.841 1.00 0.00 C ATOM 707 O GLN A 46 10.987 10.476 4.366 1.00 0.00 O ATOM 708 CB GLN A 46 10.130 8.986 7.034 1.00 0.00 C ATOM 709 CG GLN A 46 10.063 9.069 8.546 1.00 0.00 C ATOM 710 CD GLN A 46 10.547 7.803 9.224 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.694 7.392 9.051 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.672 7.175 10.002 1.00 0.00 N ATOM 0 H GLN A 46 7.684 9.634 6.754 1.00 0.00 H new ATOM 0 HA GLN A 46 10.204 11.114 6.724 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.528 8.143 6.695 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.158 8.785 6.732 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.665 9.911 8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.035 9.269 8.850 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.731 7.551 10.118 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.942 6.317 10.484 1.00 0.00 H new ATOM 721 N TYR A 47 8.882 9.734 4.094 1.00 0.00 N ATOM 722 CA TYR A 47 9.009 9.603 2.646 1.00 0.00 C ATOM 723 C TYR A 47 7.939 10.414 1.913 1.00 0.00 C ATOM 724 O TYR A 47 7.324 9.925 0.966 1.00 0.00 O ATOM 725 CB TYR A 47 8.914 8.130 2.253 1.00 0.00 C ATOM 726 CG TYR A 47 9.968 7.268 2.905 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.300 7.352 2.521 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.631 6.376 3.913 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.266 6.566 3.121 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.591 5.586 4.518 1.00 0.00 C ATOM 731 CZ TYR A 47 11.906 5.684 4.118 1.00 0.00 C ATOM 732 OH TYR A 47 12.865 4.900 4.718 1.00 0.00 O ATOM 0 H TYR A 47 7.969 9.471 4.465 1.00 0.00 H new ATOM 0 HA TYR A 47 9.982 9.998 2.353 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.928 7.752 2.523 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.003 8.044 1.170 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.586 8.042 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.602 6.297 4.230 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.298 6.642 2.810 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.312 4.896 5.300 1.00 0.00 H new ATOM 0 HH TYR A 47 12.469 4.044 4.983 1.00 0.00 H new ATOM 742 N PRO A 48 7.696 11.667 2.346 1.00 0.00 N ATOM 743 CA PRO A 48 6.695 12.545 1.734 1.00 0.00 C ATOM 744 C PRO A 48 6.646 12.438 0.214 1.00 0.00 C ATOM 745 O PRO A 48 5.590 12.603 -0.397 1.00 0.00 O ATOM 746 CB PRO A 48 7.163 13.934 2.155 1.00 0.00 C ATOM 747 CG PRO A 48 7.823 13.731 3.477 1.00 0.00 C ATOM 748 CD PRO A 48 8.372 12.323 3.483 1.00 0.00 C ATOM 0 HA PRO A 48 5.685 12.290 2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.857 14.355 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.325 14.626 2.234 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.622 14.457 3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.110 13.871 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.455 12.317 3.360 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.155 11.815 4.423 1.00 0.00 H new ATOM 756 N GLN A 49 7.792 12.164 -0.387 1.00 0.00 N ATOM 757 CA GLN A 49 7.884 12.036 -1.838 1.00 0.00 C ATOM 758 C GLN A 49 7.013 10.890 -2.338 1.00 0.00 C ATOM 759 O GLN A 49 6.425 10.966 -3.416 1.00 0.00 O ATOM 760 CB GLN A 49 9.335 11.807 -2.265 1.00 0.00 C ATOM 761 CG GLN A 49 10.273 12.940 -1.874 1.00 0.00 C ATOM 762 CD GLN A 49 11.719 12.708 -2.294 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.583 13.548 -2.044 1.00 0.00 O ATOM 764 NE2 GLN A 49 11.997 11.573 -2.934 1.00 0.00 N ATOM 0 H GLN A 49 8.674 12.025 0.105 1.00 0.00 H new ATOM 0 HA GLN A 49 7.526 12.966 -2.280 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.694 10.880 -1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.370 11.675 -3.346 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.917 13.867 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.235 13.075 -0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.255 10.900 -3.124 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.952 11.377 -3.234 1.00 0.00 H new ATOM 773 N ALA A 50 6.939 9.826 -1.546 1.00 0.00 N ATOM 774 CA ALA A 50 6.144 8.659 -1.903 1.00 0.00 C ATOM 775 C ALA A 50 4.716 8.787 -1.380 1.00 0.00 C ATOM 776 O ALA A 50 4.493 9.270 -0.272 1.00 0.00 O ATOM 777 CB ALA A 50 6.796 7.397 -1.358 1.00 0.00 C ATOM 0 H ALA A 50 7.421 9.749 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 50 6.100 8.595 -2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.194 6.530 -1.630 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.795 7.292 -1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.866 7.464 -0.272 1.00 0.00 H new ATOM 783 N ASP A 51 3.757 8.348 -2.188 1.00 0.00 N ATOM 784 CA ASP A 51 2.351 8.410 -1.805 1.00 0.00 C ATOM 785 C ASP A 51 1.936 7.137 -1.076 1.00 0.00 C ATOM 786 O ASP A 51 2.153 6.031 -1.571 1.00 0.00 O ATOM 787 CB ASP A 51 1.471 8.616 -3.040 1.00 0.00 C ATOM 788 CG ASP A 51 1.805 9.895 -3.785 1.00 0.00 C ATOM 789 OD1 ASP A 51 2.720 10.621 -3.341 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.150 10.172 -4.813 1.00 0.00 O ATOM 0 H ASP A 51 3.927 7.946 -3.110 1.00 0.00 H new ATOM 0 HA ASP A 51 2.218 9.256 -1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.589 7.766 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.424 8.639 -2.737 1.00 0.00 H new ATOM 795 N PHE A 52 1.350 7.298 0.103 1.00 0.00 N ATOM 796 CA PHE A 52 0.918 6.155 0.896 1.00 0.00 C ATOM 797 C PHE A 52 -0.588 5.938 0.793 1.00 0.00 C ATOM 798 O PHE A 52 -1.359 6.453 1.601 1.00 0.00 O ATOM 799 CB PHE A 52 1.322 6.340 2.360 1.00 0.00 C ATOM 800 CG PHE A 52 2.810 6.349 2.568 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.601 7.324 1.982 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.418 5.377 3.347 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.970 7.331 2.171 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.787 5.378 3.538 1.00 0.00 C ATOM 805 CZ PHE A 52 5.564 6.356 2.948 1.00 0.00 C ATOM 0 H PHE A 52 1.163 8.205 0.530 1.00 0.00 H new ATOM 0 HA PHE A 52 1.413 5.270 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.905 7.277 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.884 5.539 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.143 8.087 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.815 4.610 3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.575 8.099 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.249 4.615 4.148 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.634 6.358 3.094 1.00 0.00 H new ATOM 815 N TYR A 53 -0.994 5.155 -0.201 1.00 0.00 N ATOM 816 CA TYR A 53 -2.402 4.843 -0.410 1.00 0.00 C ATOM 817 C TYR A 53 -2.734 3.485 0.190 1.00 0.00 C ATOM 818 O TYR A 53 -1.893 2.865 0.842 1.00 0.00 O ATOM 819 CB TYR A 53 -2.737 4.853 -1.902 1.00 0.00 C ATOM 820 CG TYR A 53 -2.919 6.240 -2.478 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.003 7.025 -2.111 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.012 6.760 -3.393 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.180 8.289 -2.638 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.180 8.024 -3.924 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.266 8.785 -3.543 1.00 0.00 C ATOM 826 OH TYR A 53 -3.437 10.044 -4.070 1.00 0.00 O ATOM 0 H TYR A 53 -0.364 4.723 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.002 5.605 0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.941 4.345 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.650 4.280 -2.064 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.720 6.641 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.162 6.166 -3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.030 8.886 -2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.465 8.414 -4.633 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.705 10.241 -4.691 1.00 0.00 H new ATOM 836 N LYS A 54 -3.958 3.022 -0.024 1.00 0.00 N ATOM 837 CA LYS A 54 -4.373 1.735 0.508 1.00 0.00 C ATOM 838 C LYS A 54 -5.424 1.079 -0.380 1.00 0.00 C ATOM 839 O LYS A 54 -6.342 1.737 -0.870 1.00 0.00 O ATOM 840 CB LYS A 54 -4.900 1.900 1.931 1.00 0.00 C ATOM 841 CG LYS A 54 -3.920 2.609 2.854 1.00 0.00 C ATOM 842 CD LYS A 54 -4.402 2.610 4.297 1.00 0.00 C ATOM 843 CE LYS A 54 -5.810 3.168 4.414 1.00 0.00 C ATOM 844 NZ LYS A 54 -6.314 3.130 5.813 1.00 0.00 N ATOM 0 H LYS A 54 -4.674 3.515 -0.558 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.502 1.080 0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.834 2.461 1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.131 0.917 2.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.948 2.120 2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.781 3.636 2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.379 1.594 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.722 3.204 4.908 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.823 4.196 4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.480 2.596 3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.234 2.646 5.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.637 2.616 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.424 4.101 6.169 1.00 0.00 H new ATOM 858 N LEU A 55 -5.273 -0.223 -0.585 1.00 0.00 N ATOM 859 CA LEU A 55 -6.194 -0.984 -1.416 1.00 0.00 C ATOM 860 C LEU A 55 -7.320 -1.572 -0.572 1.00 0.00 C ATOM 861 O LEU A 55 -7.097 -2.007 0.558 1.00 0.00 O ATOM 862 CB LEU A 55 -5.430 -2.092 -2.148 1.00 0.00 C ATOM 863 CG LEU A 55 -6.218 -2.838 -3.229 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.289 -3.720 -2.608 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.838 -1.853 -4.210 1.00 0.00 C ATOM 0 H LEU A 55 -4.516 -0.776 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.642 -0.317 -2.152 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.543 -1.655 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.083 -2.817 -1.411 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.526 -3.480 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.835 -4.239 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.821 -4.451 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.980 -3.103 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.394 -2.399 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.514 -1.185 -3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.050 -1.269 -4.685 1.00 0.00 H new ATOM 877 N ASP A 56 -8.530 -1.570 -1.121 1.00 0.00 N ATOM 878 CA ASP A 56 -9.689 -2.092 -0.409 1.00 0.00 C ATOM 879 C ASP A 56 -9.999 -3.526 -0.828 1.00 0.00 C ATOM 880 O ASP A 56 -10.412 -3.774 -1.959 1.00 0.00 O ATOM 881 CB ASP A 56 -10.915 -1.210 -0.669 1.00 0.00 C ATOM 882 CG ASP A 56 -12.077 -1.548 0.246 1.00 0.00 C ATOM 883 OD1 ASP A 56 -11.929 -2.465 1.082 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.135 -0.896 0.126 1.00 0.00 O ATOM 0 H ASP A 56 -8.733 -1.213 -2.055 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.452 -2.085 0.655 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.642 -0.164 -0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.228 -1.325 -1.707 1.00 0.00 H new ATOM 889 N VAL A 57 -9.820 -4.464 0.097 1.00 0.00 N ATOM 890 CA VAL A 57 -10.108 -5.864 -0.181 1.00 0.00 C ATOM 891 C VAL A 57 -11.616 -6.125 -0.122 1.00 0.00 C ATOM 892 O VAL A 57 -12.080 -7.225 -0.422 1.00 0.00 O ATOM 893 CB VAL A 57 -9.367 -6.802 0.800 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.774 -8.257 0.584 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.863 -6.646 0.629 1.00 0.00 C ATOM 0 H VAL A 57 -9.479 -4.280 1.040 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.749 -6.079 -1.188 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.644 -6.523 1.816 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.237 -8.893 1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.847 -8.362 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.529 -8.556 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.347 -7.310 1.323 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.584 -6.902 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.579 -5.614 0.834 1.00 0.00 H new ATOM 905 N ASP A 58 -12.375 -5.095 0.253 1.00 0.00 N ATOM 906 CA ASP A 58 -13.825 -5.195 0.336 1.00 0.00 C ATOM 907 C ASP A 58 -14.461 -4.685 -0.950 1.00 0.00 C ATOM 908 O ASP A 58 -15.488 -5.195 -1.398 1.00 0.00 O ATOM 909 CB ASP A 58 -14.343 -4.375 1.520 1.00 0.00 C ATOM 910 CG ASP A 58 -15.829 -4.570 1.752 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.245 -5.722 2.001 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.576 -3.571 1.687 1.00 0.00 O ATOM 0 H ASP A 58 -12.003 -4.179 0.504 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.092 -6.242 0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.797 -4.657 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.141 -3.319 1.343 1.00 0.00 H new ATOM 917 N GLU A 59 -13.838 -3.667 -1.533 1.00 0.00 N ATOM 918 CA GLU A 59 -14.326 -3.064 -2.765 1.00 0.00 C ATOM 919 C GLU A 59 -13.502 -3.538 -3.958 1.00 0.00 C ATOM 920 O GLU A 59 -14.050 -3.922 -4.991 1.00 0.00 O ATOM 921 CB GLU A 59 -14.268 -1.539 -2.655 1.00 0.00 C ATOM 922 CG GLU A 59 -14.856 -0.817 -3.856 1.00 0.00 C ATOM 923 CD GLU A 59 -16.338 -1.083 -4.032 1.00 0.00 C ATOM 924 OE1 GLU A 59 -16.714 -2.258 -4.232 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.126 -0.116 -3.971 1.00 0.00 O ATOM 0 H GLU A 59 -12.987 -3.240 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.360 -3.372 -2.919 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.803 -1.228 -1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.230 -1.232 -2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.694 0.255 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.326 -1.128 -4.756 1.00 0.00 H new ATOM 932 N LEU A 60 -12.181 -3.515 -3.805 1.00 0.00 N ATOM 933 CA LEU A 60 -11.278 -3.951 -4.866 1.00 0.00 C ATOM 934 C LEU A 60 -10.740 -5.347 -4.577 1.00 0.00 C ATOM 935 O LEU A 60 -9.592 -5.657 -4.895 1.00 0.00 O ATOM 936 CB LEU A 60 -10.113 -2.970 -5.023 1.00 0.00 C ATOM 937 CG LEU A 60 -10.484 -1.598 -5.584 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.454 -0.885 -4.657 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.235 -0.759 -5.803 1.00 0.00 C ATOM 0 H LEU A 60 -11.712 -3.199 -2.956 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.845 -3.978 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.643 -2.831 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.366 -3.421 -5.676 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.976 -1.740 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.706 0.090 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.361 -1.480 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.992 -0.753 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.517 0.215 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.715 -0.625 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.576 -1.264 -6.509 1.00 0.00 H new ATOM 951 N GLY A 61 -11.577 -6.189 -3.977 1.00 0.00 N ATOM 952 CA GLY A 61 -11.167 -7.545 -3.661 1.00 0.00 C ATOM 953 C GLY A 61 -10.576 -8.264 -4.858 1.00 0.00 C ATOM 954 O GLY A 61 -9.782 -9.191 -4.704 1.00 0.00 O ATOM 0 H GLY A 61 -12.532 -5.956 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.433 -7.521 -2.856 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.026 -8.105 -3.292 1.00 0.00 H new ATOM 958 N ASP A 62 -10.964 -7.831 -6.053 1.00 0.00 N ATOM 959 CA ASP A 62 -10.468 -8.434 -7.283 1.00 0.00 C ATOM 960 C ASP A 62 -8.967 -8.217 -7.437 1.00 0.00 C ATOM 961 O ASP A 62 -8.272 -9.037 -8.037 1.00 0.00 O ATOM 962 CB ASP A 62 -11.201 -7.859 -8.484 1.00 0.00 C ATOM 963 CG ASP A 62 -12.695 -8.106 -8.428 1.00 0.00 C ATOM 964 OD1 ASP A 62 -13.337 -7.645 -7.460 1.00 0.00 O ATOM 965 OD2 ASP A 62 -13.225 -8.760 -9.351 1.00 0.00 O ATOM 0 H ASP A 62 -11.621 -7.064 -6.195 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.654 -9.507 -7.229 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.016 -6.786 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.798 -8.299 -9.396 1.00 0.00 H new ATOM 970 N VAL A 63 -8.472 -7.108 -6.894 1.00 0.00 N ATOM 971 CA VAL A 63 -7.051 -6.788 -6.977 1.00 0.00 C ATOM 972 C VAL A 63 -6.244 -7.677 -6.031 1.00 0.00 C ATOM 973 O VAL A 63 -5.290 -8.334 -6.446 1.00 0.00 O ATOM 974 CB VAL A 63 -6.781 -5.306 -6.654 1.00 0.00 C ATOM 975 CG1 VAL A 63 -5.358 -4.925 -7.032 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.783 -4.410 -7.371 1.00 0.00 C ATOM 0 H VAL A 63 -9.032 -6.418 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.737 -6.975 -8.004 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.900 -5.163 -5.580 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.188 -3.875 -6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.655 -5.541 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.210 -5.085 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.576 -3.367 -7.130 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.698 -4.558 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.793 -4.663 -7.049 1.00 0.00 H new ATOM 986 N ALA A 64 -6.651 -7.716 -4.761 1.00 0.00 N ATOM 987 CA ALA A 64 -5.982 -8.552 -3.763 1.00 0.00 C ATOM 988 C ALA A 64 -5.911 -9.996 -4.252 1.00 0.00 C ATOM 989 O ALA A 64 -4.987 -10.736 -3.912 1.00 0.00 O ATOM 990 CB ALA A 64 -6.725 -8.482 -2.438 1.00 0.00 C ATOM 0 H ALA A 64 -7.439 -7.179 -4.400 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.968 -8.181 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.218 -9.108 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.744 -7.451 -2.085 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.746 -8.837 -2.574 1.00 0.00 H new ATOM 996 N GLN A 65 -6.899 -10.384 -5.057 1.00 0.00 N ATOM 997 CA GLN A 65 -6.962 -11.733 -5.607 1.00 0.00 C ATOM 998 C GLN A 65 -6.235 -11.812 -6.947 1.00 0.00 C ATOM 999 O GLN A 65 -5.715 -12.863 -7.319 1.00 0.00 O ATOM 1000 CB GLN A 65 -8.419 -12.167 -5.779 1.00 0.00 C ATOM 1001 CG GLN A 65 -8.575 -13.571 -6.344 1.00 0.00 C ATOM 1002 CD GLN A 65 -10.027 -13.998 -6.527 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -10.297 -15.114 -6.973 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -10.971 -13.123 -6.189 1.00 0.00 N ATOM 0 H GLN A 65 -7.669 -9.779 -5.342 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.468 -12.406 -4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.921 -12.116 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.924 -11.461 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.065 -13.625 -7.306 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.078 -14.278 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.710 -12.207 -5.823 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.955 -13.368 -6.296 1.00 0.00 H new ATOM 1013 N LYS A 66 -6.192 -10.691 -7.666 1.00 0.00 N ATOM 1014 CA LYS A 66 -5.522 -10.636 -8.952 1.00 0.00 C ATOM 1015 C LYS A 66 -4.022 -10.836 -8.766 1.00 0.00 C ATOM 1016 O LYS A 66 -3.408 -11.678 -9.422 1.00 0.00 O ATOM 1017 CB LYS A 66 -5.841 -9.299 -9.632 1.00 0.00 C ATOM 1018 CG LYS A 66 -4.644 -8.576 -10.224 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.066 -9.316 -11.421 1.00 0.00 C ATOM 1020 CE LYS A 66 -2.857 -8.593 -11.991 1.00 0.00 C ATOM 1021 NZ LYS A 66 -3.196 -7.218 -12.449 1.00 0.00 N ATOM 0 H LYS A 66 -6.616 -9.810 -7.374 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.881 -11.438 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.567 -9.477 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.318 -8.643 -8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.941 -7.572 -10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.874 -8.464 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.781 -10.325 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.830 -9.415 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.075 -8.541 -11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.453 -9.165 -12.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.423 -6.848 -13.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.074 -7.244 -13.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.328 -6.600 -11.623 1.00 0.00 H new ATOM 1035 N ASN A 67 -3.441 -10.067 -7.852 1.00 0.00 N ATOM 1036 CA ASN A 67 -2.028 -10.160 -7.556 1.00 0.00 C ATOM 1037 C ASN A 67 -1.742 -11.347 -6.635 1.00 0.00 C ATOM 1038 O ASN A 67 -0.595 -11.589 -6.260 1.00 0.00 O ATOM 1039 CB ASN A 67 -1.568 -8.863 -6.901 1.00 0.00 C ATOM 1040 CG ASN A 67 -1.706 -7.669 -7.824 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -1.098 -7.624 -8.893 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -2.511 -6.695 -7.416 1.00 0.00 N ATOM 0 H ASN A 67 -3.939 -9.367 -7.301 1.00 0.00 H new ATOM 0 HA ASN A 67 -1.480 -10.316 -8.485 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.151 -8.689 -5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.527 -8.963 -6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.645 -5.867 -7.997 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.995 -6.775 -6.522 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.794 -12.083 -6.273 1.00 0.00 N ATOM 1050 CA GLU A 68 -2.655 -13.240 -5.399 1.00 0.00 C ATOM 1051 C GLU A 68 -2.129 -12.826 -4.030 1.00 0.00 C ATOM 1052 O GLU A 68 -1.290 -13.512 -3.446 1.00 0.00 O ATOM 1053 CB GLU A 68 -1.722 -14.272 -6.034 1.00 0.00 C ATOM 1054 CG GLU A 68 -2.203 -14.764 -7.388 1.00 0.00 C ATOM 1055 CD GLU A 68 -3.519 -15.513 -7.310 1.00 0.00 C ATOM 1056 OE1 GLU A 68 -4.052 -15.665 -6.189 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -4.016 -15.953 -8.368 1.00 0.00 O ATOM 0 H GLU A 68 -3.750 -11.895 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.640 -13.688 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.730 -13.835 -6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.621 -15.123 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.314 -13.913 -8.060 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.445 -15.416 -7.822 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.626 -11.702 -3.521 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.198 -11.210 -2.222 1.00 0.00 C ATOM 1066 C VAL A 69 -3.300 -11.396 -1.181 1.00 0.00 C ATOM 1067 O VAL A 69 -3.705 -10.445 -0.513 1.00 0.00 O ATOM 1068 CB VAL A 69 -1.807 -9.720 -2.291 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.217 -9.256 -0.969 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.829 -9.480 -3.431 1.00 0.00 C ATOM 0 H VAL A 69 -3.321 -11.120 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.324 -11.790 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.708 -9.137 -2.482 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.948 -8.202 -1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.952 -9.390 -0.175 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.327 -9.843 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.563 -8.424 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.070 -10.075 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.292 -9.769 -4.375 1.00 0.00 H new ATOM 1080 N SER A 70 -3.785 -12.628 -1.050 1.00 0.00 N ATOM 1081 CA SER A 70 -4.839 -12.925 -0.089 1.00 0.00 C ATOM 1082 C SER A 70 -4.293 -12.932 1.339 1.00 0.00 C ATOM 1083 O SER A 70 -5.058 -12.905 2.304 1.00 0.00 O ATOM 1084 CB SER A 70 -5.503 -14.266 -0.403 1.00 0.00 C ATOM 1085 OG SER A 70 -4.601 -15.341 -0.205 1.00 0.00 O ATOM 0 H SER A 70 -3.467 -13.430 -1.594 1.00 0.00 H new ATOM 0 HA SER A 70 -5.589 -12.138 -0.169 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.378 -14.400 0.233 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.855 -14.268 -1.434 1.00 0.00 H new ATOM 0 HG SER A 70 -5.050 -16.187 -0.411 1.00 0.00 H new ATOM 1091 N ALA A 71 -2.967 -12.951 1.470 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.331 -12.939 2.780 1.00 0.00 C ATOM 1093 C ALA A 71 -2.115 -11.503 3.243 1.00 0.00 C ATOM 1094 O ALA A 71 -0.983 -11.057 3.424 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.010 -13.692 2.734 1.00 0.00 C ATOM 0 H ALA A 71 -2.316 -12.975 0.685 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.985 -13.440 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.547 -13.674 3.720 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.190 -14.725 2.436 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.345 -13.217 2.012 1.00 0.00 H new ATOM 1101 N MET A 72 -3.214 -10.783 3.415 1.00 0.00 N ATOM 1102 CA MET A 72 -3.163 -9.385 3.838 1.00 0.00 C ATOM 1103 C MET A 72 -3.187 -9.244 5.361 1.00 0.00 C ATOM 1104 O MET A 72 -3.500 -10.196 6.075 1.00 0.00 O ATOM 1105 CB MET A 72 -4.322 -8.599 3.219 1.00 0.00 C ATOM 1106 CG MET A 72 -5.619 -9.380 3.109 1.00 0.00 C ATOM 1107 SD MET A 72 -5.790 -10.207 1.519 1.00 0.00 S ATOM 1108 CE MET A 72 -7.394 -10.985 1.707 1.00 0.00 C ATOM 0 H MET A 72 -4.157 -11.143 3.268 1.00 0.00 H new ATOM 0 HA MET A 72 -2.217 -8.974 3.484 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.500 -7.705 3.817 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.028 -8.264 2.224 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.662 -10.121 3.907 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.461 -8.703 3.256 1.00 0.00 H new ATOM 0 HE1 MET A 72 -7.962 -10.875 0.783 1.00 0.00 H new ATOM 0 HE2 MET A 72 -7.261 -12.044 1.927 1.00 0.00 H new ATOM 0 HE3 MET A 72 -7.935 -10.509 2.525 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.847 -8.042 5.880 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.467 -6.886 5.056 1.00 0.00 C ATOM 1120 C PRO A 73 -1.087 -7.033 4.427 1.00 0.00 C ATOM 1121 O PRO A 73 -0.127 -7.429 5.087 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.484 -5.721 6.042 1.00 0.00 C ATOM 1123 CG PRO A 73 -2.227 -6.339 7.365 1.00 0.00 C ATOM 1124 CD PRO A 73 -2.814 -7.724 7.318 1.00 0.00 C ATOM 0 HA PRO A 73 -3.144 -6.758 4.211 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.721 -4.983 5.795 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.444 -5.204 6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.158 -6.379 7.572 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.684 -5.752 8.162 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.203 -8.437 7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.811 -7.751 7.757 1.00 0.00 H new ATOM 1132 N THR A 74 -1.003 -6.710 3.141 1.00 0.00 N ATOM 1133 CA THR A 74 0.249 -6.799 2.401 1.00 0.00 C ATOM 1134 C THR A 74 0.673 -5.423 1.898 1.00 0.00 C ATOM 1135 O THR A 74 -0.162 -4.542 1.704 1.00 0.00 O ATOM 1136 CB THR A 74 0.088 -7.766 1.222 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.132 -9.090 1.680 1.00 0.00 O ATOM 1138 CG2 THR A 74 1.278 -7.802 0.281 1.00 0.00 C ATOM 0 H THR A 74 -1.794 -6.382 2.587 1.00 0.00 H new ATOM 0 HA THR A 74 1.024 -7.175 3.069 1.00 0.00 H new ATOM 0 HB THR A 74 -0.771 -7.384 0.670 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.095 -9.270 1.711 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.083 -8.510 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.440 -6.809 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.167 -8.113 0.830 1.00 0.00 H new ATOM 1146 N LEU A 75 1.972 -5.244 1.689 1.00 0.00 N ATOM 1147 CA LEU A 75 2.495 -3.972 1.210 1.00 0.00 C ATOM 1148 C LEU A 75 2.978 -4.093 -0.230 1.00 0.00 C ATOM 1149 O LEU A 75 3.928 -4.821 -0.518 1.00 0.00 O ATOM 1150 CB LEU A 75 3.646 -3.507 2.100 1.00 0.00 C ATOM 1151 CG LEU A 75 3.311 -3.380 3.585 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.535 -2.935 4.363 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.159 -2.406 3.791 1.00 0.00 C ATOM 0 H LEU A 75 2.680 -5.962 1.843 1.00 0.00 H new ATOM 0 HA LEU A 75 1.690 -3.238 1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.475 -4.206 1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.995 -2.540 1.739 1.00 0.00 H new ATOM 0 HG LEU A 75 3.001 -4.357 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.283 -2.848 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.331 -3.669 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.871 -1.968 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.934 -2.328 4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.439 -1.425 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.278 -2.766 3.259 1.00 0.00 H new ATOM 1165 N LEU A 76 2.316 -3.376 -1.129 1.00 0.00 N ATOM 1166 CA LEU A 76 2.675 -3.399 -2.539 1.00 0.00 C ATOM 1167 C LEU A 76 3.295 -2.072 -2.964 1.00 0.00 C ATOM 1168 O LEU A 76 2.718 -1.007 -2.749 1.00 0.00 O ATOM 1169 CB LEU A 76 1.443 -3.714 -3.396 1.00 0.00 C ATOM 1170 CG LEU A 76 0.922 -5.149 -3.270 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.143 -5.427 -4.321 1.00 0.00 C ATOM 1172 CD2 LEU A 76 2.063 -6.149 -3.392 1.00 0.00 C ATOM 0 H LEU A 76 1.526 -2.771 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 76 3.417 -4.183 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.642 -3.027 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.686 -3.521 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 76 0.471 -5.261 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.500 -6.451 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.976 -4.736 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.283 -5.293 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.671 -7.162 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.545 -6.034 -4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.791 -5.968 -2.601 1.00 0.00 H new ATOM 1184 N LEU A 77 4.479 -2.148 -3.565 1.00 0.00 N ATOM 1185 CA LEU A 77 5.187 -0.956 -4.015 1.00 0.00 C ATOM 1186 C LEU A 77 5.194 -0.880 -5.538 1.00 0.00 C ATOM 1187 O LEU A 77 5.302 -1.902 -6.220 1.00 0.00 O ATOM 1188 CB LEU A 77 6.620 -0.950 -3.478 1.00 0.00 C ATOM 1189 CG LEU A 77 6.744 -0.912 -1.952 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.142 -2.163 -1.330 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.200 -0.760 -1.540 1.00 0.00 C ATOM 0 H LEU A 77 4.968 -3.024 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 77 4.666 -0.081 -3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.133 -1.839 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.142 -0.087 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 77 6.188 -0.049 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.241 -2.114 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.087 -2.229 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.666 -3.043 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.270 -0.735 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.776 -1.603 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.599 0.167 -1.951 1.00 0.00 H new ATOM 1203 N PHE A 78 5.061 0.337 -6.061 1.00 0.00 N ATOM 1204 CA PHE A 78 5.029 0.560 -7.504 1.00 0.00 C ATOM 1205 C PHE A 78 5.777 1.841 -7.877 1.00 0.00 C ATOM 1206 O PHE A 78 5.483 2.907 -7.337 1.00 0.00 O ATOM 1207 CB PHE A 78 3.569 0.682 -7.951 1.00 0.00 C ATOM 1208 CG PHE A 78 2.703 -0.460 -7.499 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.812 -1.713 -8.081 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.785 -0.278 -6.478 1.00 0.00 C ATOM 1211 CE1 PHE A 78 2.017 -2.762 -7.654 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.989 -1.321 -6.049 1.00 0.00 C ATOM 1213 CZ PHE A 78 1.104 -2.564 -6.636 1.00 0.00 C ATOM 0 H PHE A 78 4.973 1.187 -5.504 1.00 0.00 H new ATOM 0 HA PHE A 78 5.515 -0.280 -8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.157 1.614 -7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.535 0.744 -9.039 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.525 -1.872 -8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.691 0.692 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.110 -3.734 -8.116 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.276 -1.164 -5.253 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.482 -3.381 -6.301 1.00 0.00 H new ATOM 1223 N LYS A 79 6.731 1.753 -8.811 1.00 0.00 N ATOM 1224 CA LYS A 79 7.470 2.952 -9.227 1.00 0.00 C ATOM 1225 C LYS A 79 7.224 3.284 -10.695 1.00 0.00 C ATOM 1226 O LYS A 79 7.306 2.416 -11.562 1.00 0.00 O ATOM 1227 CB LYS A 79 8.973 2.809 -8.975 1.00 0.00 C ATOM 1228 CG LYS A 79 9.354 2.859 -7.502 1.00 0.00 C ATOM 1229 CD LYS A 79 10.865 2.937 -7.298 1.00 0.00 C ATOM 1230 CE LYS A 79 11.430 4.299 -7.680 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.480 4.503 -9.155 1.00 0.00 N ATOM 0 H LYS A 79 7.005 0.891 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 79 7.094 3.773 -8.617 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.315 1.864 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.498 3.604 -9.504 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.881 3.723 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.967 1.973 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.100 2.728 -6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.350 2.164 -7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.820 5.081 -7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.434 4.401 -7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.330 5.049 -9.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.512 3.580 -9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.633 5.023 -9.462 1.00 0.00 H new ATOM 1245 N ASN A 80 6.925 4.556 -10.964 1.00 0.00 N ATOM 1246 CA ASN A 80 6.671 5.020 -12.324 1.00 0.00 C ATOM 1247 C ASN A 80 5.670 4.118 -13.042 1.00 0.00 C ATOM 1248 O ASN A 80 6.020 3.411 -13.986 1.00 0.00 O ATOM 1249 CB ASN A 80 7.979 5.083 -13.115 1.00 0.00 C ATOM 1250 CG ASN A 80 8.995 6.013 -12.479 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.744 7.206 -12.316 1.00 0.00 O ATOM 1252 ND2 ASN A 80 10.150 5.467 -12.117 1.00 0.00 N ATOM 0 H ASN A 80 6.853 5.284 -10.253 1.00 0.00 H new ATOM 0 HA ASN A 80 6.241 6.019 -12.260 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.404 4.082 -13.190 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.770 5.418 -14.131 1.00 0.00 H new ATOM 0 HD21 ASN A 80 10.873 6.042 -11.684 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.315 4.472 -12.272 1.00 0.00 H new ATOM 1259 N GLY A 81 4.421 4.157 -12.592 1.00 0.00 N ATOM 1260 CA GLY A 81 3.374 3.352 -13.196 1.00 0.00 C ATOM 1261 C GLY A 81 3.788 1.912 -13.424 1.00 0.00 C ATOM 1262 O GLY A 81 3.288 1.252 -14.335 1.00 0.00 O ATOM 0 H GLY A 81 4.112 4.737 -11.812 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.492 3.373 -12.555 1.00 0.00 H new ATOM 0 HA3 GLY A 81 3.086 3.796 -14.149 1.00 0.00 H new ATOM 1266 N LYS A 82 4.696 1.423 -12.591 1.00 0.00 N ATOM 1267 CA LYS A 82 5.171 0.051 -12.693 1.00 0.00 C ATOM 1268 C LYS A 82 5.249 -0.578 -11.307 1.00 0.00 C ATOM 1269 O LYS A 82 4.633 -0.091 -10.365 1.00 0.00 O ATOM 1270 CB LYS A 82 6.538 0.012 -13.391 1.00 0.00 C ATOM 1271 CG LYS A 82 6.495 0.479 -14.836 1.00 0.00 C ATOM 1272 CD LYS A 82 7.878 0.466 -15.466 1.00 0.00 C ATOM 1273 CE LYS A 82 7.833 0.918 -16.916 1.00 0.00 C ATOM 1274 NZ LYS A 82 6.948 0.051 -17.742 1.00 0.00 N ATOM 0 H LYS A 82 5.120 1.959 -11.834 1.00 0.00 H new ATOM 0 HA LYS A 82 4.468 -0.526 -13.293 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.238 0.637 -12.836 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.925 -1.007 -13.358 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.827 -0.165 -15.408 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.082 1.487 -14.882 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.543 1.119 -14.901 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.295 -0.539 -15.410 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.479 1.948 -16.964 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.841 0.907 -17.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.135 0.224 -18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.136 -0.948 -17.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.953 0.270 -17.532 1.00 0.00 H new ATOM 1288 N GLU A 83 5.997 -1.659 -11.185 1.00 0.00 N ATOM 1289 CA GLU A 83 6.142 -2.352 -9.913 1.00 0.00 C ATOM 1290 C GLU A 83 7.555 -2.130 -9.372 1.00 0.00 C ATOM 1291 O GLU A 83 8.347 -1.426 -9.998 1.00 0.00 O ATOM 1292 CB GLU A 83 5.849 -3.847 -10.135 1.00 0.00 C ATOM 1293 CG GLU A 83 5.804 -4.692 -8.872 1.00 0.00 C ATOM 1294 CD GLU A 83 5.185 -6.056 -9.109 1.00 0.00 C ATOM 1295 OE1 GLU A 83 5.729 -6.818 -9.938 1.00 0.00 O ATOM 1296 OE2 GLU A 83 4.159 -6.363 -8.470 1.00 0.00 O ATOM 0 H GLU A 83 6.517 -2.080 -11.955 1.00 0.00 H new ATOM 0 HA GLU A 83 5.439 -1.964 -9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.893 -3.941 -10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.611 -4.255 -10.799 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.816 -4.818 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.234 -4.166 -8.106 1.00 0.00 H new ATOM 1303 N VAL A 84 7.860 -2.708 -8.212 1.00 0.00 N ATOM 1304 CA VAL A 84 9.181 -2.571 -7.604 1.00 0.00 C ATOM 1305 C VAL A 84 9.413 -3.634 -6.540 1.00 0.00 C ATOM 1306 O VAL A 84 10.464 -4.276 -6.513 1.00 0.00 O ATOM 1307 CB VAL A 84 9.403 -1.184 -6.979 1.00 0.00 C ATOM 1308 CG1 VAL A 84 9.647 -0.146 -8.057 1.00 0.00 C ATOM 1309 CG2 VAL A 84 8.223 -0.793 -6.106 1.00 0.00 C ATOM 0 H VAL A 84 7.208 -3.277 -7.673 1.00 0.00 H new ATOM 0 HA VAL A 84 9.897 -2.700 -8.416 1.00 0.00 H new ATOM 0 HB VAL A 84 10.289 -1.230 -6.346 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.802 0.829 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.532 -0.420 -8.632 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.783 -0.100 -8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.401 0.192 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.316 -0.766 -6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 84 8.104 -1.524 -5.306 1.00 0.00 H new ATOM 1319 N ALA A 85 8.436 -3.820 -5.658 1.00 0.00 N ATOM 1320 CA ALA A 85 8.564 -4.813 -4.598 1.00 0.00 C ATOM 1321 C ALA A 85 7.236 -5.062 -3.891 1.00 0.00 C ATOM 1322 O ALA A 85 6.282 -4.297 -4.041 1.00 0.00 O ATOM 1323 CB ALA A 85 9.620 -4.376 -3.596 1.00 0.00 C ATOM 0 H ALA A 85 7.557 -3.303 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 85 8.872 -5.751 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.707 -5.125 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.579 -4.268 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.332 -3.421 -3.157 1.00 0.00 H new ATOM 1329 N LYS A 86 7.189 -6.141 -3.117 1.00 0.00 N ATOM 1330 CA LYS A 86 5.990 -6.508 -2.374 1.00 0.00 C ATOM 1331 C LYS A 86 6.360 -7.060 -1.000 1.00 0.00 C ATOM 1332 O LYS A 86 7.000 -8.105 -0.891 1.00 0.00 O ATOM 1333 CB LYS A 86 5.179 -7.545 -3.155 1.00 0.00 C ATOM 1334 CG LYS A 86 5.958 -8.814 -3.469 1.00 0.00 C ATOM 1335 CD LYS A 86 5.174 -9.760 -4.369 1.00 0.00 C ATOM 1336 CE LYS A 86 3.922 -10.296 -3.690 1.00 0.00 C ATOM 1337 NZ LYS A 86 2.865 -9.256 -3.547 1.00 0.00 N ATOM 0 H LYS A 86 7.973 -6.780 -2.988 1.00 0.00 H new ATOM 0 HA LYS A 86 5.382 -5.614 -2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.290 -7.807 -2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.836 -7.098 -4.088 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.899 -8.551 -3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.209 -9.324 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.894 -9.239 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.813 -10.594 -4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.529 -11.133 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.183 -10.683 -2.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.774 -8.989 -2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.124 -8.419 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.958 -9.634 -3.888 1.00 0.00 H new ATOM 1351 N VAL A 87 5.957 -6.346 0.047 1.00 0.00 N ATOM 1352 CA VAL A 87 6.254 -6.765 1.412 1.00 0.00 C ATOM 1353 C VAL A 87 4.976 -7.085 2.179 1.00 0.00 C ATOM 1354 O VAL A 87 4.437 -6.236 2.888 1.00 0.00 O ATOM 1355 CB VAL A 87 7.040 -5.678 2.173 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.405 -6.156 3.570 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.284 -5.278 1.396 1.00 0.00 C ATOM 0 H VAL A 87 5.426 -5.478 -0.023 1.00 0.00 H new ATOM 0 HA VAL A 87 6.866 -7.664 1.342 1.00 0.00 H new ATOM 0 HB VAL A 87 6.403 -4.800 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.959 -5.374 4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.496 -6.386 4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.023 -7.051 3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.826 -4.510 1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.925 -6.149 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 87 7.994 -4.887 0.421 1.00 0.00 H new ATOM 1367 N VAL A 88 4.497 -8.317 2.037 1.00 0.00 N ATOM 1368 CA VAL A 88 3.286 -8.747 2.722 1.00 0.00 C ATOM 1369 C VAL A 88 3.457 -8.673 4.237 1.00 0.00 C ATOM 1370 O VAL A 88 3.793 -9.664 4.885 1.00 0.00 O ATOM 1371 CB VAL A 88 2.884 -10.180 2.312 1.00 0.00 C ATOM 1372 CG1 VAL A 88 4.040 -11.145 2.531 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.650 -10.633 3.079 1.00 0.00 C ATOM 0 H VAL A 88 4.930 -9.034 1.454 1.00 0.00 H new ATOM 0 HA VAL A 88 2.490 -8.066 2.423 1.00 0.00 H new ATOM 0 HB VAL A 88 2.641 -10.176 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.736 -12.149 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.894 -10.833 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.319 -11.145 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.384 -11.645 2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.861 -10.619 4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.820 -9.960 2.864 1.00 0.00 H new ATOM 1383 N GLY A 89 3.224 -7.486 4.793 1.00 0.00 N ATOM 1384 CA GLY A 89 3.357 -7.296 6.225 1.00 0.00 C ATOM 1385 C GLY A 89 4.173 -6.065 6.575 1.00 0.00 C ATOM 1386 O GLY A 89 5.387 -6.041 6.378 1.00 0.00 O ATOM 0 H GLY A 89 2.945 -6.653 4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.366 -7.210 6.670 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.828 -8.176 6.663 1.00 0.00 H new ATOM 1390 N ALA A 90 3.503 -5.042 7.099 1.00 0.00 N ATOM 1391 CA ALA A 90 4.173 -3.802 7.483 1.00 0.00 C ATOM 1392 C ALA A 90 4.911 -3.965 8.806 1.00 0.00 C ATOM 1393 O ALA A 90 4.641 -3.254 9.774 1.00 0.00 O ATOM 1394 CB ALA A 90 3.164 -2.666 7.574 1.00 0.00 C ATOM 0 H ALA A 90 2.497 -5.047 7.268 1.00 0.00 H new ATOM 0 HA ALA A 90 4.908 -3.560 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.675 -1.747 7.861 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.684 -2.527 6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.409 -2.909 8.321 1.00 0.00 H new ATOM 1400 N ASN A 91 5.849 -4.905 8.839 1.00 0.00 N ATOM 1401 CA ASN A 91 6.632 -5.160 10.040 1.00 0.00 C ATOM 1402 C ASN A 91 7.454 -3.928 10.409 1.00 0.00 C ATOM 1403 O ASN A 91 8.091 -3.322 9.549 1.00 0.00 O ATOM 1404 CB ASN A 91 7.556 -6.361 9.820 1.00 0.00 C ATOM 1405 CG ASN A 91 8.372 -6.701 11.052 1.00 0.00 C ATOM 1406 OD1 ASN A 91 7.824 -7.055 12.096 1.00 0.00 O ATOM 1407 ND2 ASN A 91 9.690 -6.593 10.936 1.00 0.00 N ATOM 0 H ASN A 91 6.085 -5.503 8.047 1.00 0.00 H new ATOM 0 HA ASN A 91 5.950 -5.383 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.959 -7.227 9.534 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.229 -6.150 8.989 1.00 0.00 H new ATOM 0 HD21 ASN A 91 10.291 -6.807 11.732 1.00 0.00 H new ATOM 0 HD22 ASN A 91 10.101 -6.296 10.051 1.00 0.00 H new ATOM 1414 N PRO A 92 7.454 -3.536 11.697 1.00 0.00 N ATOM 1415 CA PRO A 92 8.204 -2.368 12.165 1.00 0.00 C ATOM 1416 C PRO A 92 9.611 -2.295 11.579 1.00 0.00 C ATOM 1417 O PRO A 92 10.187 -1.213 11.458 1.00 0.00 O ATOM 1418 CB PRO A 92 8.260 -2.589 13.674 1.00 0.00 C ATOM 1419 CG PRO A 92 6.986 -3.293 13.978 1.00 0.00 C ATOM 1420 CD PRO A 92 6.723 -4.194 12.799 1.00 0.00 C ATOM 0 HA PRO A 92 7.736 -1.430 11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.125 -3.188 13.959 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.334 -1.645 14.214 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.068 -3.869 14.900 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.171 -2.583 14.117 1.00 0.00 H new ATOM 0 HD2 PRO A 92 7.089 -5.205 12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 92 5.657 -4.274 12.584 1.00 0.00 H new ATOM 1428 N ALA A 93 10.161 -3.451 11.218 1.00 0.00 N ATOM 1429 CA ALA A 93 11.501 -3.510 10.648 1.00 0.00 C ATOM 1430 C ALA A 93 11.476 -4.002 9.202 1.00 0.00 C ATOM 1431 O ALA A 93 12.184 -4.945 8.846 1.00 0.00 O ATOM 1432 CB ALA A 93 12.392 -4.405 11.497 1.00 0.00 C ATOM 0 H ALA A 93 9.700 -4.356 11.310 1.00 0.00 H new ATOM 0 HA ALA A 93 11.908 -2.499 10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.391 -4.442 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.452 -4.004 12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.973 -5.411 11.529 1.00 0.00 H new ATOM 1438 N ALA A 94 10.665 -3.355 8.368 1.00 0.00 N ATOM 1439 CA ALA A 94 10.566 -3.732 6.961 1.00 0.00 C ATOM 1440 C ALA A 94 9.823 -2.682 6.153 1.00 0.00 C ATOM 1441 O ALA A 94 10.357 -2.145 5.182 1.00 0.00 O ATOM 1442 CB ALA A 94 9.899 -5.092 6.815 1.00 0.00 C ATOM 0 H ALA A 94 10.071 -2.572 8.640 1.00 0.00 H new ATOM 0 HA ALA A 94 11.579 -3.798 6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.835 -5.354 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.487 -5.844 7.341 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.896 -5.053 7.241 1.00 0.00 H new ATOM 1448 N ILE A 95 8.599 -2.377 6.559 1.00 0.00 N ATOM 1449 CA ILE A 95 7.799 -1.374 5.873 1.00 0.00 C ATOM 1450 C ILE A 95 8.541 -0.038 5.771 1.00 0.00 C ATOM 1451 O ILE A 95 8.098 0.868 5.067 1.00 0.00 O ATOM 1452 CB ILE A 95 6.450 -1.171 6.598 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.654 -0.009 5.996 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.680 -0.941 8.083 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.457 -0.100 4.499 1.00 0.00 C ATOM 0 H ILE A 95 8.139 -2.810 7.360 1.00 0.00 H new ATOM 0 HA ILE A 95 7.613 -1.737 4.862 1.00 0.00 H new ATOM 0 HB ILE A 95 5.861 -2.079 6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.677 0.035 6.477 1.00 0.00 H new ATOM 0 HG13 ILE A 95 6.166 0.925 6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.721 -0.799 8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.188 -1.806 8.511 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.296 -0.053 8.222 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.884 0.761 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.428 -0.111 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.916 -1.015 4.258 1.00 0.00 H new ATOM 1467 N LYS A 96 9.672 0.084 6.470 1.00 0.00 N ATOM 1468 CA LYS A 96 10.458 1.314 6.429 1.00 0.00 C ATOM 1469 C LYS A 96 11.522 1.242 5.340 1.00 0.00 C ATOM 1470 O LYS A 96 11.654 2.154 4.523 1.00 0.00 O ATOM 1471 CB LYS A 96 11.104 1.597 7.791 1.00 0.00 C ATOM 1472 CG LYS A 96 12.215 0.628 8.164 1.00 0.00 C ATOM 1473 CD LYS A 96 12.781 0.936 9.540 1.00 0.00 C ATOM 1474 CE LYS A 96 14.032 0.118 9.829 1.00 0.00 C ATOM 1475 NZ LYS A 96 13.770 -1.348 9.773 1.00 0.00 N ATOM 0 H LYS A 96 10.059 -0.648 7.065 1.00 0.00 H new ATOM 0 HA LYS A 96 9.781 2.135 6.194 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.506 2.610 7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.333 1.563 8.561 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.831 -0.392 8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.011 0.681 7.421 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.017 1.998 9.607 1.00 0.00 H new ATOM 0 HD3 LYS A 96 12.027 0.728 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.807 0.375 9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.416 0.380 10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.858 -1.753 10.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.809 -1.515 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 14.460 -1.800 9.140 1.00 0.00 H new ATOM 1489 N GLN A 97 12.283 0.153 5.345 1.00 0.00 N ATOM 1490 CA GLN A 97 13.345 -0.046 4.367 1.00 0.00 C ATOM 1491 C GLN A 97 12.765 -0.308 2.987 1.00 0.00 C ATOM 1492 O GLN A 97 13.352 0.072 1.973 1.00 0.00 O ATOM 1493 CB GLN A 97 14.238 -1.215 4.786 1.00 0.00 C ATOM 1494 CG GLN A 97 14.899 -1.021 6.141 1.00 0.00 C ATOM 1495 CD GLN A 97 15.777 -2.194 6.534 1.00 0.00 C ATOM 1496 OE1 GLN A 97 15.305 -3.324 6.651 1.00 0.00 O ATOM 1497 NE2 GLN A 97 17.062 -1.929 6.740 1.00 0.00 N ATOM 0 H GLN A 97 12.183 -0.607 6.018 1.00 0.00 H new ATOM 0 HA GLN A 97 13.944 0.864 4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.641 -2.127 4.809 1.00 0.00 H new ATOM 0 HB3 GLN A 97 15.011 -1.359 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.500 -0.112 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.129 -0.877 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 97 17.410 -0.976 6.631 1.00 0.00 H new ATOM 0 HE22 GLN A 97 17.701 -2.678 7.007 1.00 0.00 H new ATOM 1506 N ALA A 98 11.604 -0.952 2.951 1.00 0.00 N ATOM 1507 CA ALA A 98 10.946 -1.254 1.684 1.00 0.00 C ATOM 1508 C ALA A 98 10.658 0.030 0.916 1.00 0.00 C ATOM 1509 O ALA A 98 10.761 0.077 -0.310 1.00 0.00 O ATOM 1510 CB ALA A 98 9.660 -2.030 1.926 1.00 0.00 C ATOM 0 H ALA A 98 11.101 -1.273 3.778 1.00 0.00 H new ATOM 0 HA ALA A 98 11.614 -1.872 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.181 -2.248 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.890 -2.964 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.986 -1.435 2.542 1.00 0.00 H new ATOM 1516 N ILE A 99 10.295 1.070 1.656 1.00 0.00 N ATOM 1517 CA ILE A 99 9.985 2.368 1.077 1.00 0.00 C ATOM 1518 C ILE A 99 11.230 3.256 0.988 1.00 0.00 C ATOM 1519 O ILE A 99 11.197 4.326 0.381 1.00 0.00 O ATOM 1520 CB ILE A 99 8.895 3.080 1.913 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.562 2.339 1.780 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.735 4.532 1.481 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.630 0.871 2.144 1.00 0.00 C ATOM 0 H ILE A 99 10.208 1.036 2.672 1.00 0.00 H new ATOM 0 HA ILE A 99 9.616 2.198 0.066 1.00 0.00 H new ATOM 0 HB ILE A 99 9.206 3.070 2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.823 2.826 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.208 2.431 0.753 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.963 5.008 2.085 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.679 5.059 1.618 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.448 4.569 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.645 0.420 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.343 0.367 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.951 0.768 3.180 1.00 0.00 H new ATOM 1535 N ALA A 100 12.325 2.807 1.593 1.00 0.00 N ATOM 1536 CA ALA A 100 13.570 3.564 1.577 1.00 0.00 C ATOM 1537 C ALA A 100 14.428 3.178 0.378 1.00 0.00 C ATOM 1538 O ALA A 100 14.712 4.004 -0.489 1.00 0.00 O ATOM 1539 CB ALA A 100 14.339 3.344 2.870 1.00 0.00 C ATOM 0 H ALA A 100 12.375 1.923 2.100 1.00 0.00 H new ATOM 0 HA ALA A 100 13.323 4.622 1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.267 3.916 2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.733 3.674 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.569 2.284 2.981 1.00 0.00 H new ATOM 1545 N ALA A 101 14.838 1.914 0.337 1.00 0.00 N ATOM 1546 CA ALA A 101 15.662 1.412 -0.755 1.00 0.00 C ATOM 1547 C ALA A 101 14.988 1.645 -2.102 1.00 0.00 C ATOM 1548 O ALA A 101 15.659 1.792 -3.124 1.00 0.00 O ATOM 1549 CB ALA A 101 15.954 -0.067 -0.557 1.00 0.00 C ATOM 0 H ALA A 101 14.612 1.219 1.048 1.00 0.00 H new ATOM 0 HA ALA A 101 16.604 1.961 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.570 -0.430 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.484 -0.210 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.017 -0.623 -0.534 1.00 0.00 H new ATOM 1555 N ASN A 102 13.659 1.676 -2.097 1.00 0.00 N ATOM 1556 CA ASN A 102 12.899 1.888 -3.312 1.00 0.00 C ATOM 1557 C ASN A 102 12.756 3.376 -3.621 1.00 0.00 C ATOM 1558 O ASN A 102 13.246 3.856 -4.642 1.00 0.00 O ATOM 1559 CB ASN A 102 11.523 1.247 -3.165 1.00 0.00 C ATOM 1560 CG ASN A 102 11.562 -0.276 -3.089 1.00 0.00 C ATOM 1561 OD1 ASN A 102 10.519 -0.919 -2.968 1.00 0.00 O ATOM 1562 ND2 ASN A 102 12.753 -0.869 -3.162 1.00 0.00 N ATOM 0 H ASN A 102 13.090 1.556 -1.259 1.00 0.00 H new ATOM 0 HA ASN A 102 13.433 1.426 -4.142 1.00 0.00 H new ATOM 0 HB2 ASN A 102 11.045 1.635 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.901 1.544 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.820 -1.886 -3.118 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.598 -0.306 -3.262 1.00 0.00 H new ATOM 1569 N ALA A 103 12.086 4.097 -2.729 1.00 0.00 N ATOM 1570 CA ALA A 103 11.880 5.529 -2.908 1.00 0.00 C ATOM 1571 C ALA A 103 13.068 6.324 -2.377 1.00 0.00 C ATOM 1572 O ALA A 103 13.840 6.857 -3.204 1.00 0.00 O ATOM 1573 CB ALA A 103 10.598 5.967 -2.217 1.00 0.00 C ATOM 1574 OXT ALA A 103 13.218 6.410 -1.140 1.00 0.00 O ATOM 0 H ALA A 103 11.677 3.714 -1.877 1.00 0.00 H new ATOM 0 HA ALA A 103 11.791 5.729 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.456 7.038 -2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.752 5.429 -2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.666 5.748 -1.151 1.00 0.00 H new TER 1580 ALA A 103