USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 56 ASN : amide:sc= -0.217 K(o=-6,f=-9.9) USER MOD Set 1.2: A 58 ASN : amide:sc= -5.76! C(o=-6!,f=-12!) USER MOD Set 2.1: A 46 THR OG1 : rot -124:sc= 1.58 USER MOD Set 2.2: A 54 CYS SG : rot -59:sc= -0.36! USER MOD Single : A 6 LYS NZ :NH3+ -113:sc= -0.513 (180deg=-0.68) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -4.27! C(o=-4.3!,f=-6.5!) USER MOD Single : A 11 ASN : amide:sc= -4.16! C(o=-4.2!,f=-9.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -8:sc= 0.86 USER MOD Single : A 17 CYS SG : rot 100:sc= -9.27! USER MOD Single : A 22 GLN : amide:sc= -0.711 K(o=-0.71,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -163:sc= -0.907 (180deg=-1.34) USER MOD Single : A 35 CYS SG : rot -35:sc= 0.035 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.97! C(o=-3!,f=-3.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.9!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= -8.49! (180deg=-10.4!) USER MOD Single : A 67 ASN : amide:sc= -0.23 K(o=-0.23,f=-1.8) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 70 HIS : no HD1:sc= -0.0258 X(o=-0.026,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.083 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.969 -1.695 -3.602 1.00 0.00 N ATOM 21 CA GLU A 2 11.561 -1.533 -4.059 1.00 0.00 C ATOM 22 C GLU A 2 10.753 -2.776 -3.679 1.00 0.00 C ATOM 23 O GLU A 2 11.222 -3.891 -3.789 1.00 0.00 O ATOM 24 CB GLU A 2 11.534 -1.353 -5.578 1.00 0.00 C ATOM 25 CG GLU A 2 12.163 -2.574 -6.249 1.00 0.00 C ATOM 26 CD GLU A 2 12.312 -2.312 -7.750 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.649 -1.195 -8.105 1.00 0.00 O ATOM 28 OE2 GLU A 2 12.086 -3.233 -8.517 1.00 0.00 O ATOM 0 HA GLU A 2 11.124 -0.656 -3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 2 10.507 -1.225 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.078 -0.451 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.137 -2.783 -5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 2 11.542 -3.454 -6.083 1.00 0.00 H new ATOM 35 N TRP A 3 9.539 -2.591 -3.230 1.00 0.00 N ATOM 36 CA TRP A 3 8.690 -3.757 -2.839 1.00 0.00 C ATOM 37 C TRP A 3 7.760 -4.115 -4.000 1.00 0.00 C ATOM 38 O TRP A 3 7.785 -3.491 -5.042 1.00 0.00 O ATOM 39 CB TRP A 3 7.849 -3.384 -1.616 1.00 0.00 C ATOM 40 CG TRP A 3 8.747 -2.908 -0.518 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.476 -1.768 -0.549 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.022 -3.536 0.768 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.182 -1.658 0.635 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.935 -2.722 1.480 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.573 -4.720 1.379 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.387 -3.071 2.753 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.025 -5.074 2.661 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.930 -4.251 3.346 1.00 0.00 C ATOM 0 H TRP A 3 9.097 -1.679 -3.117 1.00 0.00 H new ATOM 0 HA TRP A 3 9.326 -4.609 -2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.133 -2.605 -1.878 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.273 -4.247 -1.281 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.502 -1.060 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.809 -0.885 0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.876 -5.361 0.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 11.085 -2.434 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.673 -5.985 3.122 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.274 -4.529 4.331 1.00 0.00 H new ATOM 59 N TRP A 4 6.938 -5.118 -3.827 1.00 0.00 N ATOM 60 CA TRP A 4 5.997 -5.527 -4.915 1.00 0.00 C ATOM 61 C TRP A 4 4.646 -5.892 -4.298 1.00 0.00 C ATOM 62 O TRP A 4 4.545 -6.806 -3.506 1.00 0.00 O ATOM 63 CB TRP A 4 6.565 -6.743 -5.650 1.00 0.00 C ATOM 64 CG TRP A 4 7.815 -6.350 -6.371 1.00 0.00 C ATOM 65 CD1 TRP A 4 7.856 -5.664 -7.537 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.200 -6.607 -5.998 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.178 -5.484 -7.903 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.044 -6.047 -6.986 1.00 0.00 C ATOM 69 CE3 TRP A 4 9.800 -7.265 -4.909 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.434 -6.136 -6.897 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.199 -7.356 -4.816 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.013 -6.793 -5.809 1.00 0.00 C ATOM 0 H TRP A 4 6.877 -5.675 -2.975 1.00 0.00 H new ATOM 0 HA TRP A 4 5.870 -4.705 -5.619 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.778 -7.543 -4.941 1.00 0.00 H new ATOM 0 HB3 TRP A 4 5.831 -7.130 -6.357 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.997 -5.314 -8.091 1.00 0.00 H new ATOM 0 HE1 TRP A 4 9.477 -4.995 -8.747 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.181 -7.703 -4.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.057 -5.700 -7.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.650 -7.862 -3.975 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.088 -6.867 -5.733 1.00 0.00 H new ATOM 83 N VAL A 5 3.607 -5.182 -4.648 1.00 0.00 N ATOM 84 CA VAL A 5 2.271 -5.496 -4.067 1.00 0.00 C ATOM 85 C VAL A 5 1.757 -6.818 -4.642 1.00 0.00 C ATOM 86 O VAL A 5 1.709 -7.009 -5.841 1.00 0.00 O ATOM 87 CB VAL A 5 1.288 -4.366 -4.394 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.918 -3.021 -4.030 1.00 0.00 C ATOM 89 CG2 VAL A 5 0.950 -4.381 -5.889 1.00 0.00 C ATOM 0 H VAL A 5 3.625 -4.403 -5.307 1.00 0.00 H new ATOM 0 HA VAL A 5 2.360 -5.589 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 5 0.374 -4.512 -3.819 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.219 -2.217 -4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.150 -3.004 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.835 -2.882 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.251 -3.575 -6.112 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.862 -4.242 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.496 -5.337 -6.150 1.00 0.00 H new ATOM 99 N LYS A 6 1.370 -7.734 -3.794 1.00 0.00 N ATOM 100 CA LYS A 6 0.852 -9.047 -4.282 1.00 0.00 C ATOM 101 C LYS A 6 -0.670 -8.972 -4.408 1.00 0.00 C ATOM 102 O LYS A 6 -1.270 -9.643 -5.224 1.00 0.00 O ATOM 103 CB LYS A 6 1.227 -10.145 -3.283 1.00 0.00 C ATOM 104 CG LYS A 6 0.959 -11.516 -3.908 1.00 0.00 C ATOM 105 CD LYS A 6 1.132 -12.603 -2.844 1.00 0.00 C ATOM 106 CE LYS A 6 0.851 -13.973 -3.465 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.601 -14.086 -3.780 1.00 0.00 N ATOM 0 H LYS A 6 1.390 -7.629 -2.780 1.00 0.00 H new ATOM 0 HA LYS A 6 1.289 -9.276 -5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.278 -10.058 -3.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.647 -10.031 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.051 -11.550 -4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.645 -11.690 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.145 -12.575 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.453 -12.423 -2.011 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.442 -14.101 -4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.148 -14.764 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.034 -14.807 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.064 -13.169 -3.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.720 -14.361 -4.776 1.00 0.00 H new ATOM 121 N LYS A 7 -1.298 -8.158 -3.603 1.00 0.00 N ATOM 122 CA LYS A 7 -2.784 -8.030 -3.666 1.00 0.00 C ATOM 123 C LYS A 7 -3.189 -6.627 -3.210 1.00 0.00 C ATOM 124 O LYS A 7 -2.425 -5.930 -2.570 1.00 0.00 O ATOM 125 CB LYS A 7 -3.427 -9.071 -2.745 1.00 0.00 C ATOM 126 CG LYS A 7 -3.326 -10.459 -3.381 1.00 0.00 C ATOM 127 CD LYS A 7 -4.121 -11.463 -2.545 1.00 0.00 C ATOM 128 CE LYS A 7 -3.990 -12.857 -3.161 1.00 0.00 C ATOM 129 NZ LYS A 7 -4.904 -13.799 -2.455 1.00 0.00 N ATOM 0 H LYS A 7 -0.844 -7.573 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.122 -8.195 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.930 -9.068 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.472 -8.817 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.712 -10.432 -4.400 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.282 -10.767 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.752 -11.471 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.170 -11.169 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.235 -12.822 -4.222 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.960 -13.206 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.816 -14.747 -2.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.650 -13.840 -1.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.885 -13.468 -2.551 1.00 0.00 H new ATOM 143 N VAL A 8 -4.380 -6.205 -3.531 1.00 0.00 N ATOM 144 CA VAL A 8 -4.825 -4.846 -3.112 1.00 0.00 C ATOM 145 C VAL A 8 -6.352 -4.751 -3.213 1.00 0.00 C ATOM 146 O VAL A 8 -6.942 -5.091 -4.219 1.00 0.00 O ATOM 147 CB VAL A 8 -4.170 -3.792 -4.018 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.316 -4.204 -5.485 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.839 -2.425 -3.801 1.00 0.00 C ATOM 0 H VAL A 8 -5.064 -6.741 -4.065 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.526 -4.665 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.112 -3.719 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.850 -3.453 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.829 -5.166 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.373 -4.287 -5.736 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.369 -1.683 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.900 -2.497 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.723 -2.125 -2.760 1.00 0.00 H new ATOM 159 N GLN A 9 -6.991 -4.281 -2.172 1.00 0.00 N ATOM 160 CA GLN A 9 -8.480 -4.146 -2.188 1.00 0.00 C ATOM 161 C GLN A 9 -8.846 -2.682 -2.442 1.00 0.00 C ATOM 162 O GLN A 9 -8.421 -1.796 -1.727 1.00 0.00 O ATOM 163 CB GLN A 9 -9.042 -4.585 -0.833 1.00 0.00 C ATOM 164 CG GLN A 9 -8.370 -5.888 -0.399 1.00 0.00 C ATOM 165 CD GLN A 9 -9.158 -6.512 0.754 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.588 -6.903 1.753 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.455 -6.620 0.659 1.00 0.00 N ATOM 0 H GLN A 9 -6.542 -3.983 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.900 -4.772 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.870 -3.809 -0.087 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.121 -4.726 -0.903 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.323 -6.582 -1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.343 -5.694 -0.088 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.934 -6.292 -0.180 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.990 -7.033 1.423 1.00 0.00 H new ATOM 176 N ASP A 10 -9.626 -2.417 -3.453 1.00 0.00 N ATOM 177 CA ASP A 10 -10.007 -1.006 -3.748 1.00 0.00 C ATOM 178 C ASP A 10 -10.650 -0.378 -2.509 1.00 0.00 C ATOM 179 O ASP A 10 -10.905 -1.043 -1.525 1.00 0.00 O ATOM 180 CB ASP A 10 -10.998 -0.977 -4.913 1.00 0.00 C ATOM 181 CG ASP A 10 -12.066 -2.052 -4.704 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.341 -2.371 -3.560 1.00 0.00 O ATOM 183 OD2 ASP A 10 -12.588 -2.540 -5.693 1.00 0.00 O ATOM 0 H ASP A 10 -10.016 -3.114 -4.087 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.116 -0.439 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.465 0.005 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.474 -1.148 -5.854 1.00 0.00 H new ATOM 188 N ASN A 11 -10.910 0.901 -2.550 1.00 0.00 N ATOM 189 CA ASN A 11 -11.532 1.576 -1.376 1.00 0.00 C ATOM 190 C ASN A 11 -12.979 1.110 -1.227 1.00 0.00 C ATOM 191 O ASN A 11 -13.907 1.878 -1.372 1.00 0.00 O ATOM 192 CB ASN A 11 -11.503 3.092 -1.583 1.00 0.00 C ATOM 193 CG ASN A 11 -12.355 3.458 -2.799 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.911 2.593 -3.448 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.484 4.711 -3.138 1.00 0.00 N ATOM 0 H ASN A 11 -10.718 1.508 -3.347 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.974 1.322 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.882 3.598 -0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.477 3.430 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.051 4.965 -3.947 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.018 5.437 -2.594 1.00 0.00 H new ATOM 202 N ALA A 12 -13.176 -0.145 -0.939 1.00 0.00 N ATOM 203 CA ALA A 12 -14.563 -0.663 -0.780 1.00 0.00 C ATOM 204 C ALA A 12 -15.103 -0.256 0.593 1.00 0.00 C ATOM 205 O ALA A 12 -16.282 -0.373 0.865 1.00 0.00 O ATOM 206 CB ALA A 12 -14.551 -2.187 -0.898 1.00 0.00 C ATOM 0 H ALA A 12 -12.437 -0.835 -0.807 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.202 -0.245 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.565 -2.569 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.165 -2.473 -1.876 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.914 -2.607 -0.120 1.00 0.00 H new ATOM 212 N SER A 13 -14.251 0.222 1.460 1.00 0.00 N ATOM 213 CA SER A 13 -14.715 0.637 2.815 1.00 0.00 C ATOM 214 C SER A 13 -15.264 2.064 2.749 1.00 0.00 C ATOM 215 O SER A 13 -16.323 2.354 3.265 1.00 0.00 O ATOM 216 CB SER A 13 -13.538 0.590 3.791 1.00 0.00 C ATOM 217 OG SER A 13 -13.232 -0.766 4.091 1.00 0.00 O ATOM 0 H SER A 13 -13.253 0.343 1.288 1.00 0.00 H new ATOM 0 HA SER A 13 -15.499 -0.040 3.156 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.669 1.083 3.355 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.786 1.130 4.705 1.00 0.00 H new ATOM 0 HG SER A 13 -12.477 -0.801 4.715 1.00 0.00 H new ATOM 223 N ALA A 14 -14.548 2.954 2.115 1.00 0.00 N ATOM 224 CA ALA A 14 -15.015 4.367 2.008 1.00 0.00 C ATOM 225 C ALA A 14 -13.872 5.227 1.456 1.00 0.00 C ATOM 226 O ALA A 14 -14.032 5.951 0.494 1.00 0.00 O ATOM 227 CB ALA A 14 -15.435 4.879 3.396 1.00 0.00 C ATOM 0 H ALA A 14 -13.654 2.761 1.664 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.872 4.425 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.776 5.911 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.244 4.259 3.783 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.584 4.830 4.075 1.00 0.00 H new ATOM 233 N SER A 15 -12.719 5.151 2.064 1.00 0.00 N ATOM 234 CA SER A 15 -11.561 5.958 1.584 1.00 0.00 C ATOM 235 C SER A 15 -10.262 5.289 2.031 1.00 0.00 C ATOM 236 O SER A 15 -9.262 5.940 2.251 1.00 0.00 O ATOM 237 CB SER A 15 -11.640 7.366 2.175 1.00 0.00 C ATOM 238 OG SER A 15 -12.795 8.023 1.670 1.00 0.00 O ATOM 0 H SER A 15 -12.529 4.563 2.875 1.00 0.00 H new ATOM 0 HA SER A 15 -11.585 6.021 0.496 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.683 7.314 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.744 7.932 1.918 1.00 0.00 H new ATOM 0 HG SER A 15 -13.198 7.478 0.962 1.00 0.00 H new ATOM 244 N LEU A 16 -10.273 3.988 2.167 1.00 0.00 N ATOM 245 CA LEU A 16 -9.042 3.258 2.600 1.00 0.00 C ATOM 246 C LEU A 16 -8.909 1.971 1.788 1.00 0.00 C ATOM 247 O LEU A 16 -9.867 1.250 1.590 1.00 0.00 O ATOM 248 CB LEU A 16 -9.151 2.898 4.085 1.00 0.00 C ATOM 249 CG LEU A 16 -9.169 4.169 4.944 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.489 3.784 6.392 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.800 4.876 4.887 1.00 0.00 C ATOM 0 H LEU A 16 -11.086 3.396 1.996 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.171 3.894 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.059 2.320 4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.311 2.267 4.375 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.928 4.851 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.504 4.680 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.464 3.298 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.727 3.099 6.763 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.829 5.776 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.028 4.205 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.574 5.148 3.856 1.00 0.00 H new ATOM 263 N CYS A 17 -7.720 1.675 1.328 1.00 0.00 N ATOM 264 CA CYS A 17 -7.489 0.430 0.534 1.00 0.00 C ATOM 265 C CYS A 17 -6.371 -0.356 1.206 1.00 0.00 C ATOM 266 O CYS A 17 -5.431 0.215 1.706 1.00 0.00 O ATOM 267 CB CYS A 17 -7.065 0.808 -0.886 1.00 0.00 C ATOM 268 SG CYS A 17 -8.412 1.700 -1.700 1.00 0.00 S ATOM 0 H CYS A 17 -6.890 2.250 1.471 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.399 -0.169 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.169 1.428 -0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.813 -0.088 -1.453 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.174 2.977 -1.659 1.00 0.00 H new ATOM 274 N ARG A 18 -6.460 -1.657 1.233 1.00 0.00 N ATOM 275 CA ARG A 18 -5.385 -2.465 1.886 1.00 0.00 C ATOM 276 C ARG A 18 -4.416 -2.968 0.820 1.00 0.00 C ATOM 277 O ARG A 18 -4.772 -3.128 -0.330 1.00 0.00 O ATOM 278 CB ARG A 18 -6.012 -3.658 2.611 1.00 0.00 C ATOM 279 CG ARG A 18 -6.902 -3.154 3.749 1.00 0.00 C ATOM 280 CD ARG A 18 -7.432 -4.345 4.549 1.00 0.00 C ATOM 281 NE ARG A 18 -8.450 -5.074 3.740 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.664 -4.607 3.645 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.989 -3.503 4.259 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.555 -5.246 2.936 1.00 0.00 N ATOM 0 H ARG A 18 -7.227 -2.197 0.833 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.848 -1.847 2.605 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.599 -4.254 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.231 -4.308 3.006 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.336 -2.488 4.400 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.733 -2.575 3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.613 -5.014 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.874 -4.001 5.484 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.197 -5.938 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.293 -3.004 4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.939 -3.138 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.301 -6.110 2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.505 -4.881 2.861 1.00 0.00 H new ATOM 298 N VAL A 19 -3.186 -3.215 1.190 1.00 0.00 N ATOM 299 CA VAL A 19 -2.189 -3.703 0.192 1.00 0.00 C ATOM 300 C VAL A 19 -1.220 -4.681 0.856 1.00 0.00 C ATOM 301 O VAL A 19 -0.692 -4.424 1.920 1.00 0.00 O ATOM 302 CB VAL A 19 -1.396 -2.515 -0.362 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.363 -1.442 -0.863 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.508 -1.924 0.738 1.00 0.00 C ATOM 0 H VAL A 19 -2.830 -3.100 2.139 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.717 -4.208 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.770 -2.857 -1.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.797 -0.598 -1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.991 -1.857 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.991 -1.105 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.053 -1.080 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.131 -1.586 1.566 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.186 -2.685 1.094 1.00 0.00 H new ATOM 314 N VAL A 20 -0.965 -5.795 0.221 1.00 0.00 N ATOM 315 CA VAL A 20 -0.007 -6.785 0.793 1.00 0.00 C ATOM 316 C VAL A 20 1.351 -6.576 0.124 1.00 0.00 C ATOM 317 O VAL A 20 1.506 -6.797 -1.061 1.00 0.00 O ATOM 318 CB VAL A 20 -0.502 -8.206 0.512 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.359 -9.207 1.286 1.00 0.00 C ATOM 320 CG2 VAL A 20 -1.959 -8.336 0.959 1.00 0.00 C ATOM 0 H VAL A 20 -1.380 -6.062 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 20 0.076 -6.648 1.871 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.430 -8.412 -0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.008 -10.219 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.398 -9.115 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.285 -9.001 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.312 -9.348 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.032 -8.131 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.573 -7.622 0.410 1.00 0.00 H new ATOM 330 N LEU A 21 2.335 -6.134 0.862 1.00 0.00 N ATOM 331 CA LEU A 21 3.680 -5.891 0.252 1.00 0.00 C ATOM 332 C LEU A 21 4.574 -7.113 0.473 1.00 0.00 C ATOM 333 O LEU A 21 4.668 -7.638 1.564 1.00 0.00 O ATOM 334 CB LEU A 21 4.323 -4.668 0.913 1.00 0.00 C ATOM 335 CG LEU A 21 3.296 -3.539 1.023 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.957 -2.312 1.655 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.777 -3.178 -0.373 1.00 0.00 C ATOM 0 H LEU A 21 2.268 -5.930 1.859 1.00 0.00 H new ATOM 0 HA LEU A 21 3.565 -5.714 -0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.695 -4.932 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.181 -4.336 0.328 1.00 0.00 H new ATOM 0 HG LEU A 21 2.462 -3.866 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.227 -1.506 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.325 -2.568 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.791 -1.987 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.046 -2.374 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.609 -2.851 -0.997 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.307 -4.052 -0.824 1.00 0.00 H new ATOM 349 N GLN A 22 5.230 -7.565 -0.568 1.00 0.00 N ATOM 350 CA GLN A 22 6.130 -8.757 -0.459 1.00 0.00 C ATOM 351 C GLN A 22 7.556 -8.348 -0.825 1.00 0.00 C ATOM 352 O GLN A 22 7.775 -7.556 -1.722 1.00 0.00 O ATOM 353 CB GLN A 22 5.645 -9.843 -1.424 1.00 0.00 C ATOM 354 CG GLN A 22 6.645 -11.000 -1.442 1.00 0.00 C ATOM 355 CD GLN A 22 6.018 -12.206 -2.146 1.00 0.00 C ATOM 356 OE1 GLN A 22 6.459 -13.324 -1.970 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.000 -12.024 -2.942 1.00 0.00 N ATOM 0 H GLN A 22 5.180 -7.154 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 22 6.113 -9.141 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.663 -10.203 -1.118 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.534 -9.429 -2.426 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.557 -10.698 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.927 -11.266 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.630 -11.085 -3.090 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.575 -12.821 -3.416 1.00 0.00 H new ATOM 366 N SER A 23 8.531 -8.879 -0.134 1.00 0.00 N ATOM 367 CA SER A 23 9.951 -8.518 -0.436 1.00 0.00 C ATOM 368 C SER A 23 10.855 -9.735 -0.220 1.00 0.00 C ATOM 369 O SER A 23 11.013 -10.214 0.884 1.00 0.00 O ATOM 370 CB SER A 23 10.396 -7.386 0.491 1.00 0.00 C ATOM 371 OG SER A 23 11.815 -7.380 0.577 1.00 0.00 O ATOM 0 H SER A 23 8.407 -9.547 0.627 1.00 0.00 H new ATOM 0 HA SER A 23 10.025 -8.194 -1.474 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.039 -6.428 0.112 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.961 -7.519 1.481 1.00 0.00 H new ATOM 0 HG SER A 23 12.104 -6.655 1.169 1.00 0.00 H new ATOM 377 N GLY A 24 11.453 -10.231 -1.270 1.00 0.00 N ATOM 378 CA GLY A 24 12.352 -11.411 -1.131 1.00 0.00 C ATOM 379 C GLY A 24 11.519 -12.667 -0.868 1.00 0.00 C ATOM 380 O GLY A 24 11.639 -13.660 -1.558 1.00 0.00 O ATOM 0 H GLY A 24 11.357 -9.869 -2.219 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.943 -11.539 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.054 -11.251 -0.313 1.00 0.00 H new ATOM 384 N ALA A 25 10.675 -12.630 0.125 1.00 0.00 N ATOM 385 CA ALA A 25 9.834 -13.819 0.436 1.00 0.00 C ATOM 386 C ALA A 25 8.875 -13.477 1.580 1.00 0.00 C ATOM 387 O ALA A 25 7.788 -14.008 1.669 1.00 0.00 O ATOM 388 CB ALA A 25 10.733 -14.984 0.855 1.00 0.00 C ATOM 0 H ALA A 25 10.531 -11.826 0.736 1.00 0.00 H new ATOM 0 HA ALA A 25 9.262 -14.102 -0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.118 -15.855 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.418 -15.226 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.305 -14.703 1.739 1.00 0.00 H new ATOM 394 N LEU A 26 9.271 -12.592 2.453 1.00 0.00 N ATOM 395 CA LEU A 26 8.382 -12.217 3.586 1.00 0.00 C ATOM 396 C LEU A 26 7.185 -11.431 3.049 1.00 0.00 C ATOM 397 O LEU A 26 7.157 -11.033 1.902 1.00 0.00 O ATOM 398 CB LEU A 26 9.160 -11.353 4.585 1.00 0.00 C ATOM 399 CG LEU A 26 10.554 -11.947 4.797 1.00 0.00 C ATOM 400 CD1 LEU A 26 11.279 -11.161 5.892 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.428 -13.413 5.221 1.00 0.00 C ATOM 0 H LEU A 26 10.171 -12.113 2.430 1.00 0.00 H new ATOM 0 HA LEU A 26 8.030 -13.118 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.241 -10.332 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.626 -11.305 5.534 1.00 0.00 H new ATOM 0 HG LEU A 26 11.120 -11.886 3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.273 -11.582 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.370 -10.117 5.591 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.712 -11.223 6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.422 -13.835 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.862 -13.476 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.910 -13.974 4.443 1.00 0.00 H new ATOM 413 N GLU A 27 6.191 -11.203 3.868 1.00 0.00 N ATOM 414 CA GLU A 27 4.993 -10.442 3.402 1.00 0.00 C ATOM 415 C GLU A 27 4.439 -9.604 4.554 1.00 0.00 C ATOM 416 O GLU A 27 4.745 -9.834 5.707 1.00 0.00 O ATOM 417 CB GLU A 27 3.919 -11.421 2.924 1.00 0.00 C ATOM 418 CG GLU A 27 4.554 -12.471 2.008 1.00 0.00 C ATOM 419 CD GLU A 27 3.456 -13.341 1.391 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.343 -13.294 1.887 1.00 0.00 O ATOM 421 OE2 GLU A 27 3.749 -14.038 0.434 1.00 0.00 O ATOM 0 H GLU A 27 6.157 -11.511 4.840 1.00 0.00 H new ATOM 0 HA GLU A 27 5.279 -9.786 2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.448 -11.906 3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.135 -10.884 2.390 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.130 -11.983 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.249 -13.091 2.575 1.00 0.00 H new ATOM 428 N MET A 28 3.625 -8.628 4.249 1.00 0.00 N ATOM 429 CA MET A 28 3.052 -7.770 5.324 1.00 0.00 C ATOM 430 C MET A 28 1.762 -7.115 4.821 1.00 0.00 C ATOM 431 O MET A 28 1.602 -6.872 3.642 1.00 0.00 O ATOM 432 CB MET A 28 4.064 -6.684 5.702 1.00 0.00 C ATOM 433 CG MET A 28 4.428 -5.861 4.463 1.00 0.00 C ATOM 434 SD MET A 28 5.944 -4.925 4.785 1.00 0.00 S ATOM 435 CE MET A 28 5.246 -3.769 5.989 1.00 0.00 C ATOM 0 H MET A 28 3.333 -8.389 3.301 1.00 0.00 H new ATOM 0 HA MET A 28 2.831 -8.381 6.199 1.00 0.00 H new ATOM 0 HB2 MET A 28 3.645 -6.035 6.471 1.00 0.00 H new ATOM 0 HB3 MET A 28 4.960 -7.140 6.123 1.00 0.00 H new ATOM 0 HG2 MET A 28 4.569 -6.518 3.605 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.614 -5.181 4.213 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.913 -2.914 6.102 1.00 0.00 H new ATOM 0 HE2 MET A 28 4.272 -3.425 5.641 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.132 -4.270 6.950 1.00 0.00 H new ATOM 445 N ILE A 29 0.848 -6.818 5.712 1.00 0.00 N ATOM 446 CA ILE A 29 -0.439 -6.164 5.309 1.00 0.00 C ATOM 447 C ILE A 29 -0.424 -4.725 5.817 1.00 0.00 C ATOM 448 O ILE A 29 0.083 -4.447 6.885 1.00 0.00 O ATOM 449 CB ILE A 29 -1.621 -6.916 5.934 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.740 -8.298 5.287 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.913 -6.128 5.696 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.762 -9.140 6.056 1.00 0.00 C ATOM 0 H ILE A 29 0.938 -7.002 6.711 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.544 -6.182 4.224 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.457 -7.027 7.006 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.046 -8.198 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.770 -8.795 5.287 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.752 -6.663 6.140 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.828 -5.142 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.080 -6.017 4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.845 -10.123 5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.437 -9.252 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.733 -8.645 6.032 1.00 0.00 H new ATOM 464 N ALA A 30 -0.957 -3.799 5.063 1.00 0.00 N ATOM 465 CA ALA A 30 -0.943 -2.380 5.524 1.00 0.00 C ATOM 466 C ALA A 30 -2.177 -1.634 5.021 1.00 0.00 C ATOM 467 O ALA A 30 -2.625 -1.822 3.907 1.00 0.00 O ATOM 468 CB ALA A 30 0.318 -1.701 4.987 1.00 0.00 C ATOM 0 H ALA A 30 -1.397 -3.962 4.157 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.951 -2.359 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.341 -0.662 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.199 -2.221 5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.314 -1.736 3.898 1.00 0.00 H new ATOM 474 N GLU A 31 -2.719 -0.767 5.839 1.00 0.00 N ATOM 475 CA GLU A 31 -3.912 0.022 5.418 1.00 0.00 C ATOM 476 C GLU A 31 -3.422 1.261 4.665 1.00 0.00 C ATOM 477 O GLU A 31 -2.621 2.025 5.166 1.00 0.00 O ATOM 478 CB GLU A 31 -4.709 0.446 6.655 1.00 0.00 C ATOM 479 CG GLU A 31 -5.537 -0.737 7.162 1.00 0.00 C ATOM 480 CD GLU A 31 -4.603 -1.860 7.614 1.00 0.00 C ATOM 481 OE1 GLU A 31 -4.203 -2.648 6.772 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.301 -1.914 8.795 1.00 0.00 O ATOM 0 H GLU A 31 -2.384 -0.573 6.783 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.557 -0.577 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.031 0.790 7.436 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.363 1.282 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.171 -0.422 7.991 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.198 -1.096 6.373 1.00 0.00 H new ATOM 489 N ILE A 32 -3.877 1.446 3.452 1.00 0.00 N ATOM 490 CA ILE A 32 -3.428 2.611 2.622 1.00 0.00 C ATOM 491 C ILE A 32 -4.593 3.588 2.408 1.00 0.00 C ATOM 492 O ILE A 32 -5.743 3.203 2.322 1.00 0.00 O ATOM 493 CB ILE A 32 -2.914 2.068 1.267 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.428 1.690 1.382 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.073 3.110 0.155 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.197 0.789 2.599 1.00 0.00 C ATOM 0 H ILE A 32 -4.550 0.832 2.993 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.629 3.152 3.129 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.508 1.189 1.016 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.106 1.177 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.823 2.592 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.703 2.699 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.126 3.370 0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.503 4.004 0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.140 0.531 2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.499 1.316 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.787 -0.122 2.495 1.00 0.00 H new ATOM 508 N GLU A 33 -4.279 4.856 2.312 1.00 0.00 N ATOM 509 CA GLU A 33 -5.323 5.906 2.091 1.00 0.00 C ATOM 510 C GLU A 33 -5.115 6.518 0.701 1.00 0.00 C ATOM 511 O GLU A 33 -4.198 7.286 0.488 1.00 0.00 O ATOM 512 CB GLU A 33 -5.154 6.993 3.161 1.00 0.00 C ATOM 513 CG GLU A 33 -6.008 8.224 2.823 1.00 0.00 C ATOM 514 CD GLU A 33 -7.441 7.794 2.508 1.00 0.00 C ATOM 515 OE1 GLU A 33 -7.708 7.491 1.356 1.00 0.00 O ATOM 516 OE2 GLU A 33 -8.248 7.776 3.421 1.00 0.00 O ATOM 0 H GLU A 33 -3.326 5.215 2.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.322 5.476 2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.444 6.600 4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.105 7.280 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.004 8.921 3.661 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.581 8.750 1.969 1.00 0.00 H new ATOM 523 N ALA A 34 -5.951 6.186 -0.249 1.00 0.00 N ATOM 524 CA ALA A 34 -5.783 6.757 -1.620 1.00 0.00 C ATOM 525 C ALA A 34 -7.144 6.856 -2.308 1.00 0.00 C ATOM 526 O ALA A 34 -8.171 6.572 -1.724 1.00 0.00 O ATOM 527 CB ALA A 34 -4.865 5.846 -2.439 1.00 0.00 C ATOM 0 H ALA A 34 -6.739 5.548 -0.136 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.343 7.752 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.740 6.260 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.893 5.776 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.307 4.852 -2.510 1.00 0.00 H new ATOM 533 N CYS A 35 -7.156 7.257 -3.552 1.00 0.00 N ATOM 534 CA CYS A 35 -8.444 7.381 -4.298 1.00 0.00 C ATOM 535 C CYS A 35 -8.205 7.031 -5.767 1.00 0.00 C ATOM 536 O CYS A 35 -9.130 6.794 -6.519 1.00 0.00 O ATOM 537 CB CYS A 35 -8.956 8.818 -4.194 1.00 0.00 C ATOM 538 SG CYS A 35 -10.678 8.887 -4.747 1.00 0.00 S ATOM 0 H CYS A 35 -6.324 7.506 -4.087 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.183 6.702 -3.873 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.879 9.169 -3.165 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.340 9.480 -4.803 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.855 8.045 -5.722 1.00 0.00 H new ATOM 544 N ARG A 36 -6.967 6.992 -6.181 1.00 0.00 N ATOM 545 CA ARG A 36 -6.666 6.651 -7.598 1.00 0.00 C ATOM 546 C ARG A 36 -6.915 5.159 -7.819 1.00 0.00 C ATOM 547 O ARG A 36 -7.347 4.741 -8.875 1.00 0.00 O ATOM 548 CB ARG A 36 -5.201 6.978 -7.903 1.00 0.00 C ATOM 549 CG ARG A 36 -5.010 8.496 -7.919 1.00 0.00 C ATOM 550 CD ARG A 36 -3.516 8.821 -7.964 1.00 0.00 C ATOM 551 NE ARG A 36 -3.331 10.283 -8.185 1.00 0.00 N ATOM 552 CZ ARG A 36 -3.463 10.784 -9.382 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.757 10.005 -10.387 1.00 0.00 N ATOM 554 NH2 ARG A 36 -3.300 12.065 -9.576 1.00 0.00 N ATOM 0 H ARG A 36 -6.152 7.182 -5.598 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.309 7.231 -8.260 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.553 6.527 -7.152 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.916 6.555 -8.866 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.513 8.928 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.463 8.940 -7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.040 8.520 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.035 8.258 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.101 10.892 -7.400 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.884 9.004 -10.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.860 10.397 -11.323 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.069 12.674 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.403 12.456 -10.512 1.00 0.00 H new ATOM 568 N LEU A 37 -6.651 4.354 -6.823 1.00 0.00 N ATOM 569 CA LEU A 37 -6.875 2.887 -6.960 1.00 0.00 C ATOM 570 C LEU A 37 -6.332 2.400 -8.306 1.00 0.00 C ATOM 571 O LEU A 37 -6.808 1.433 -8.867 1.00 0.00 O ATOM 572 CB LEU A 37 -8.375 2.606 -6.865 1.00 0.00 C ATOM 573 CG LEU A 37 -8.982 3.458 -5.746 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.448 3.070 -5.544 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.206 3.224 -4.444 1.00 0.00 C ATOM 0 H LEU A 37 -6.288 4.652 -5.917 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.352 2.357 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.860 2.834 -7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.546 1.548 -6.665 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.921 4.511 -6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.879 3.677 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.000 3.240 -6.468 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.511 2.016 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.639 3.831 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.265 2.171 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.162 3.504 -4.587 1.00 0.00 H new ATOM 587 N ARG A 38 -5.338 3.068 -8.828 1.00 0.00 N ATOM 588 CA ARG A 38 -4.755 2.654 -10.138 1.00 0.00 C ATOM 589 C ARG A 38 -3.674 1.595 -9.902 1.00 0.00 C ATOM 590 O ARG A 38 -3.135 1.025 -10.830 1.00 0.00 O ATOM 591 CB ARG A 38 -4.135 3.876 -10.821 1.00 0.00 C ATOM 592 CG ARG A 38 -3.889 3.571 -12.301 1.00 0.00 C ATOM 593 CD ARG A 38 -3.367 4.829 -12.998 1.00 0.00 C ATOM 594 NE ARG A 38 -2.968 4.495 -14.393 1.00 0.00 N ATOM 595 CZ ARG A 38 -3.881 4.221 -15.286 1.00 0.00 C ATOM 596 NH1 ARG A 38 -5.143 4.240 -14.955 1.00 0.00 N ATOM 597 NH2 ARG A 38 -3.531 3.928 -16.508 1.00 0.00 N ATOM 0 H ARG A 38 -4.903 3.886 -8.402 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.536 2.237 -10.774 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.798 4.735 -10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.197 4.140 -10.333 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.168 2.760 -12.402 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.813 3.237 -12.773 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.137 5.600 -13.004 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.515 5.233 -12.452 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.981 4.480 -14.651 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.416 4.469 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.856 4.026 -15.652 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.544 3.913 -16.766 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.244 3.714 -17.205 1.00 0.00 H new ATOM 611 N LEU A 39 -3.355 1.328 -8.667 1.00 0.00 N ATOM 612 CA LEU A 39 -2.310 0.309 -8.371 1.00 0.00 C ATOM 613 C LEU A 39 -2.786 -1.057 -8.867 1.00 0.00 C ATOM 614 O LEU A 39 -3.961 -1.270 -9.091 1.00 0.00 O ATOM 615 CB LEU A 39 -2.067 0.251 -6.858 1.00 0.00 C ATOM 616 CG LEU A 39 -1.198 1.436 -6.426 1.00 0.00 C ATOM 617 CD1 LEU A 39 -1.944 2.750 -6.687 1.00 0.00 C ATOM 618 CD2 LEU A 39 -0.886 1.313 -4.931 1.00 0.00 C ATOM 0 H LEU A 39 -3.773 1.772 -7.849 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.381 0.577 -8.875 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.018 0.273 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.577 -0.686 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.270 1.433 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.321 3.590 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.168 2.836 -7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.874 2.759 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.267 2.154 -4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.817 1.316 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.352 0.381 -4.746 1.00 0.00 H new ATOM 630 N ARG A 40 -1.884 -1.986 -9.043 1.00 0.00 N ATOM 631 CA ARG A 40 -2.286 -3.339 -9.527 1.00 0.00 C ATOM 632 C ARG A 40 -1.312 -4.387 -8.985 1.00 0.00 C ATOM 633 O ARG A 40 -0.393 -4.077 -8.255 1.00 0.00 O ATOM 634 CB ARG A 40 -2.256 -3.363 -11.058 1.00 0.00 C ATOM 635 CG ARG A 40 -3.454 -2.585 -11.610 1.00 0.00 C ATOM 636 CD ARG A 40 -3.512 -2.751 -13.130 1.00 0.00 C ATOM 637 NE ARG A 40 -4.556 -1.847 -13.689 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.777 -1.820 -14.975 1.00 0.00 C ATOM 639 NH1 ARG A 40 -4.083 -2.586 -15.771 1.00 0.00 N ATOM 640 NH2 ARG A 40 -5.691 -1.028 -15.464 1.00 0.00 N ATOM 0 H ARG A 40 -0.886 -1.866 -8.872 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.294 -3.563 -9.177 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.327 -2.923 -11.420 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.282 -4.392 -11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.377 -2.948 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.367 -1.530 -11.352 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.542 -2.519 -13.569 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.738 -3.786 -13.385 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.099 -1.249 -13.066 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.369 -3.205 -15.388 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -4.255 -2.566 -16.776 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.233 -0.429 -14.841 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.863 -1.007 -16.469 1.00 0.00 H new ATOM 654 N GLU A 41 -1.510 -5.628 -9.336 1.00 0.00 N ATOM 655 CA GLU A 41 -0.602 -6.700 -8.843 1.00 0.00 C ATOM 656 C GLU A 41 0.771 -6.560 -9.507 1.00 0.00 C ATOM 657 O GLU A 41 0.875 -6.310 -10.692 1.00 0.00 O ATOM 658 CB GLU A 41 -1.195 -8.068 -9.187 1.00 0.00 C ATOM 659 CG GLU A 41 -2.464 -8.296 -8.365 1.00 0.00 C ATOM 660 CD GLU A 41 -3.151 -9.582 -8.829 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.302 -9.749 -10.028 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.512 -10.378 -7.978 1.00 0.00 O ATOM 0 H GLU A 41 -2.264 -5.946 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.492 -6.610 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.424 -8.119 -10.251 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.469 -8.854 -8.979 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.216 -8.366 -7.306 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.140 -7.449 -8.479 1.00 0.00 H new ATOM 669 N GLY A 42 1.824 -6.724 -8.754 1.00 0.00 N ATOM 670 CA GLY A 42 3.192 -6.605 -9.340 1.00 0.00 C ATOM 671 C GLY A 42 3.611 -5.135 -9.395 1.00 0.00 C ATOM 672 O GLY A 42 4.593 -4.784 -10.017 1.00 0.00 O ATOM 0 H GLY A 42 1.797 -6.936 -7.757 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.904 -7.173 -8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.206 -7.033 -10.342 1.00 0.00 H new ATOM 676 N ASP A 43 2.877 -4.270 -8.749 1.00 0.00 N ATOM 677 CA ASP A 43 3.243 -2.825 -8.769 1.00 0.00 C ATOM 678 C ASP A 43 4.599 -2.633 -8.089 1.00 0.00 C ATOM 679 O ASP A 43 4.828 -3.109 -6.992 1.00 0.00 O ATOM 680 CB ASP A 43 2.180 -2.015 -8.024 1.00 0.00 C ATOM 681 CG ASP A 43 2.350 -0.529 -8.349 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.215 -0.213 -9.149 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.612 0.266 -7.793 1.00 0.00 O ATOM 0 H ASP A 43 2.042 -4.500 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 43 3.301 -2.481 -9.802 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.184 -2.350 -8.313 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.271 -2.176 -6.950 1.00 0.00 H new ATOM 688 N LYS A 44 5.501 -1.936 -8.733 1.00 0.00 N ATOM 689 CA LYS A 44 6.850 -1.703 -8.133 1.00 0.00 C ATOM 690 C LYS A 44 6.836 -0.389 -7.349 1.00 0.00 C ATOM 691 O LYS A 44 6.761 0.685 -7.918 1.00 0.00 O ATOM 692 CB LYS A 44 7.893 -1.617 -9.249 1.00 0.00 C ATOM 693 CG LYS A 44 7.866 -2.907 -10.073 1.00 0.00 C ATOM 694 CD LYS A 44 8.842 -2.785 -11.245 1.00 0.00 C ATOM 695 CE LYS A 44 8.882 -4.107 -12.015 1.00 0.00 C ATOM 696 NZ LYS A 44 10.017 -4.084 -12.982 1.00 0.00 N ATOM 0 H LYS A 44 5.360 -1.517 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 44 7.099 -2.526 -7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.686 -0.759 -9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.885 -1.465 -8.823 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.138 -3.757 -9.447 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.858 -3.093 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.533 -1.976 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.838 -2.535 -10.879 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.997 -4.941 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.942 -4.260 -12.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.045 -4.982 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.888 -3.297 -13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.911 -3.957 -12.465 1.00 0.00 H new ATOM 710 N LEU A 45 6.903 -0.470 -6.042 1.00 0.00 N ATOM 711 CA LEU A 45 6.889 0.765 -5.195 1.00 0.00 C ATOM 712 C LEU A 45 8.300 1.042 -4.665 1.00 0.00 C ATOM 713 O LEU A 45 8.817 0.311 -3.844 1.00 0.00 O ATOM 714 CB LEU A 45 5.941 0.560 -4.005 1.00 0.00 C ATOM 715 CG LEU A 45 4.638 -0.097 -4.471 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.745 -0.364 -3.257 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.913 0.842 -5.436 1.00 0.00 C ATOM 0 H LEU A 45 6.967 -1.345 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 45 6.550 1.608 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.422 -0.064 -3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.725 1.519 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 45 4.862 -1.037 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.816 -0.832 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.262 -1.029 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.520 0.578 -2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.985 0.376 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.687 1.780 -4.930 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.550 1.040 -6.298 1.00 0.00 H new ATOM 729 N THR A 46 8.923 2.097 -5.119 1.00 0.00 N ATOM 730 CA THR A 46 10.298 2.426 -4.630 1.00 0.00 C ATOM 731 C THR A 46 10.166 3.282 -3.360 1.00 0.00 C ATOM 732 O THR A 46 9.159 3.929 -3.152 1.00 0.00 O ATOM 733 CB THR A 46 11.070 3.209 -5.718 1.00 0.00 C ATOM 734 OG1 THR A 46 11.100 4.591 -5.386 1.00 0.00 O ATOM 735 CG2 THR A 46 10.388 3.032 -7.079 1.00 0.00 C ATOM 0 H THR A 46 8.541 2.746 -5.807 1.00 0.00 H new ATOM 0 HA THR A 46 10.847 1.511 -4.409 1.00 0.00 H new ATOM 0 HB THR A 46 12.088 2.823 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.719 5.113 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.940 3.587 -7.837 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.372 1.975 -7.343 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.366 3.408 -7.026 1.00 0.00 H new ATOM 743 N PRO A 47 11.167 3.290 -2.514 1.00 0.00 N ATOM 744 CA PRO A 47 11.136 4.085 -1.249 1.00 0.00 C ATOM 745 C PRO A 47 11.246 5.591 -1.516 1.00 0.00 C ATOM 746 O PRO A 47 12.118 6.043 -2.233 1.00 0.00 O ATOM 747 CB PRO A 47 12.356 3.570 -0.468 1.00 0.00 C ATOM 748 CG PRO A 47 13.304 3.084 -1.519 1.00 0.00 C ATOM 749 CD PRO A 47 12.434 2.549 -2.661 1.00 0.00 C ATOM 0 HA PRO A 47 10.198 3.963 -0.707 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.804 4.361 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.078 2.768 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.949 3.892 -1.866 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.955 2.303 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.893 2.730 -3.633 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.280 1.473 -2.577 1.00 0.00 H new ATOM 757 N LEU A 48 10.367 6.372 -0.946 1.00 0.00 N ATOM 758 CA LEU A 48 10.422 7.844 -1.170 1.00 0.00 C ATOM 759 C LEU A 48 11.502 8.453 -0.273 1.00 0.00 C ATOM 760 O LEU A 48 12.593 8.755 -0.716 1.00 0.00 O ATOM 761 CB LEU A 48 9.061 8.462 -0.830 1.00 0.00 C ATOM 762 CG LEU A 48 9.050 9.960 -1.174 1.00 0.00 C ATOM 763 CD1 LEU A 48 9.134 10.165 -2.699 1.00 0.00 C ATOM 764 CD2 LEU A 48 7.756 10.583 -0.640 1.00 0.00 C ATOM 0 H LEU A 48 9.614 6.053 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 48 10.661 8.048 -2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.274 7.950 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.847 8.324 0.230 1.00 0.00 H new ATOM 0 HG LEU A 48 9.914 10.440 -0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 48 9.125 11.232 -2.924 1.00 0.00 H new ATOM 0 HD12 LEU A 48 10.056 9.723 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 8.280 9.686 -3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.738 11.646 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.899 10.093 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.709 10.453 0.441 1.00 0.00 H new ATOM 776 N ALA A 49 11.209 8.636 0.986 1.00 0.00 N ATOM 777 CA ALA A 49 12.220 9.226 1.906 1.00 0.00 C ATOM 778 C ALA A 49 11.838 8.920 3.356 1.00 0.00 C ATOM 779 O ALA A 49 12.559 8.250 4.069 1.00 0.00 O ATOM 780 CB ALA A 49 12.271 10.741 1.702 1.00 0.00 C ATOM 0 H ALA A 49 10.314 8.402 1.416 1.00 0.00 H new ATOM 0 HA ALA A 49 13.198 8.795 1.692 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.011 11.174 2.375 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.547 10.960 0.670 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.292 11.170 1.915 1.00 0.00 H new ATOM 786 N ASP A 50 10.713 9.410 3.801 1.00 0.00 N ATOM 787 CA ASP A 50 10.292 9.150 5.207 1.00 0.00 C ATOM 788 C ASP A 50 9.644 7.766 5.304 1.00 0.00 C ATOM 789 O ASP A 50 9.953 6.988 6.185 1.00 0.00 O ATOM 790 CB ASP A 50 9.282 10.214 5.640 1.00 0.00 C ATOM 791 CG ASP A 50 9.951 11.590 5.621 1.00 0.00 C ATOM 792 OD1 ASP A 50 10.709 11.845 4.700 1.00 0.00 O ATOM 793 OD2 ASP A 50 9.694 12.365 6.528 1.00 0.00 O ATOM 0 H ASP A 50 10.068 9.979 3.252 1.00 0.00 H new ATOM 0 HA ASP A 50 11.166 9.187 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.421 10.207 4.971 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.910 9.992 6.640 1.00 0.00 H new ATOM 798 N ALA A 51 8.752 7.451 4.405 1.00 0.00 N ATOM 799 CA ALA A 51 8.089 6.116 4.449 1.00 0.00 C ATOM 800 C ALA A 51 7.247 5.915 3.187 1.00 0.00 C ATOM 801 O ALA A 51 7.195 4.837 2.629 1.00 0.00 O ATOM 802 CB ALA A 51 7.183 6.033 5.680 1.00 0.00 C ATOM 0 H ALA A 51 8.454 8.059 3.643 1.00 0.00 H new ATOM 0 HA ALA A 51 8.852 5.340 4.504 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.699 5.057 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.780 6.170 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.423 6.813 5.626 1.00 0.00 H new ATOM 808 N ARG A 52 6.585 6.945 2.731 1.00 0.00 N ATOM 809 CA ARG A 52 5.746 6.809 1.507 1.00 0.00 C ATOM 810 C ARG A 52 6.570 6.148 0.401 1.00 0.00 C ATOM 811 O ARG A 52 7.781 6.245 0.383 1.00 0.00 O ATOM 812 CB ARG A 52 5.290 8.193 1.041 1.00 0.00 C ATOM 813 CG ARG A 52 4.588 8.917 2.191 1.00 0.00 C ATOM 814 CD ARG A 52 4.273 10.354 1.771 1.00 0.00 C ATOM 815 NE ARG A 52 3.802 11.126 2.955 1.00 0.00 N ATOM 816 CZ ARG A 52 3.802 12.431 2.925 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.215 13.058 1.857 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.390 13.108 3.962 1.00 0.00 N ATOM 0 H ARG A 52 6.590 7.873 3.153 1.00 0.00 H new ATOM 0 HA ARG A 52 4.873 6.196 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.147 8.774 0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.614 8.097 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.669 8.395 2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.223 8.916 3.077 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.161 10.823 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.509 10.358 0.994 1.00 0.00 H new ATOM 0 HE ARG A 52 3.480 10.635 3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.537 12.528 1.047 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.215 14.078 1.832 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.068 12.617 4.796 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.390 14.128 3.938 1.00 0.00 H new ATOM 832 N TYR A 53 5.922 5.476 -0.520 1.00 0.00 N ATOM 833 CA TYR A 53 6.660 4.800 -1.636 1.00 0.00 C ATOM 834 C TYR A 53 6.128 5.307 -2.978 1.00 0.00 C ATOM 835 O TYR A 53 4.941 5.495 -3.156 1.00 0.00 O ATOM 836 CB TYR A 53 6.445 3.289 -1.542 1.00 0.00 C ATOM 837 CG TYR A 53 6.707 2.828 -0.127 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.725 2.994 0.855 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.933 2.236 0.202 1.00 0.00 C ATOM 840 CE1 TYR A 53 5.967 2.567 2.167 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.175 1.808 1.513 1.00 0.00 C ATOM 842 CZ TYR A 53 7.191 1.974 2.495 1.00 0.00 C ATOM 843 OH TYR A 53 7.429 1.554 3.788 1.00 0.00 O ATOM 0 H TYR A 53 4.908 5.366 -0.548 1.00 0.00 H new ATOM 0 HA TYR A 53 7.724 5.023 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.426 3.037 -1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.111 2.773 -2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.780 3.451 0.602 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.692 2.110 -0.556 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.209 2.696 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.120 1.350 1.766 1.00 0.00 H new ATOM 0 HH TYR A 53 8.326 1.164 3.845 1.00 0.00 H new ATOM 853 N CYS A 54 7.001 5.531 -3.926 1.00 0.00 N ATOM 854 CA CYS A 54 6.559 6.028 -5.265 1.00 0.00 C ATOM 855 C CYS A 54 6.450 4.852 -6.234 1.00 0.00 C ATOM 856 O CYS A 54 7.319 4.004 -6.296 1.00 0.00 O ATOM 857 CB CYS A 54 7.582 7.035 -5.798 1.00 0.00 C ATOM 858 SG CYS A 54 9.098 6.167 -6.267 1.00 0.00 S ATOM 0 H CYS A 54 8.007 5.390 -3.830 1.00 0.00 H new ATOM 0 HA CYS A 54 5.587 6.512 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.173 7.564 -6.659 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.800 7.785 -5.037 1.00 0.00 H new ATOM 0 HG CYS A 54 9.583 5.551 -5.230 1.00 0.00 H new ATOM 864 N LEU A 55 5.386 4.791 -6.992 1.00 0.00 N ATOM 865 CA LEU A 55 5.214 3.665 -7.963 1.00 0.00 C ATOM 866 C LEU A 55 5.693 4.106 -9.345 1.00 0.00 C ATOM 867 O LEU A 55 5.546 5.249 -9.729 1.00 0.00 O ATOM 868 CB LEU A 55 3.731 3.267 -8.028 1.00 0.00 C ATOM 869 CG LEU A 55 2.842 4.496 -8.373 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.497 4.504 -9.869 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.536 4.438 -7.565 1.00 0.00 C ATOM 0 H LEU A 55 4.627 5.472 -6.982 1.00 0.00 H new ATOM 0 HA LEU A 55 5.802 2.808 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.591 2.490 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.421 2.846 -7.072 1.00 0.00 H new ATOM 0 HG LEU A 55 3.396 5.401 -8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.875 5.370 -10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.415 4.555 -10.454 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.956 3.592 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.917 5.301 -7.811 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.996 3.523 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.766 4.448 -6.500 1.00 0.00 H new ATOM 883 N ASN A 56 6.271 3.207 -10.095 1.00 0.00 N ATOM 884 CA ASN A 56 6.761 3.573 -11.455 1.00 0.00 C ATOM 885 C ASN A 56 7.752 4.734 -11.346 1.00 0.00 C ATOM 886 O ASN A 56 8.118 5.344 -12.331 1.00 0.00 O ATOM 887 CB ASN A 56 5.578 3.988 -12.332 1.00 0.00 C ATOM 888 CG ASN A 56 6.010 4.007 -13.800 1.00 0.00 C ATOM 889 OD1 ASN A 56 6.407 5.033 -14.315 1.00 0.00 O ATOM 890 ND2 ASN A 56 5.949 2.906 -14.499 1.00 0.00 N ATOM 0 H ASN A 56 6.425 2.236 -9.825 1.00 0.00 H new ATOM 0 HA ASN A 56 7.259 2.714 -11.904 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.749 3.293 -12.195 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.220 4.974 -12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.235 2.907 -15.478 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.616 2.045 -14.066 1.00 0.00 H new ATOM 897 N ASN A 57 8.190 5.038 -10.154 1.00 0.00 N ATOM 898 CA ASN A 57 9.165 6.151 -9.963 1.00 0.00 C ATOM 899 C ASN A 57 8.508 7.495 -10.303 1.00 0.00 C ATOM 900 O ASN A 57 9.120 8.355 -10.906 1.00 0.00 O ATOM 901 CB ASN A 57 10.389 5.927 -10.863 1.00 0.00 C ATOM 902 CG ASN A 57 10.696 4.430 -10.942 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.425 3.903 -10.124 1.00 0.00 O ATOM 904 ND2 ASN A 57 10.167 3.717 -11.899 1.00 0.00 N ATOM 0 H ASN A 57 7.912 4.559 -9.297 1.00 0.00 H new ATOM 0 HA ASN A 57 9.482 6.169 -8.920 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.198 6.323 -11.860 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.250 6.465 -10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.365 2.718 -11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.555 4.159 -12.586 1.00 0.00 H new ATOM 911 N ASN A 58 7.271 7.685 -9.909 1.00 0.00 N ATOM 912 CA ASN A 58 6.559 8.971 -10.188 1.00 0.00 C ATOM 913 C ASN A 58 6.121 9.590 -8.850 1.00 0.00 C ATOM 914 O ASN A 58 5.027 9.344 -8.384 1.00 0.00 O ATOM 915 CB ASN A 58 5.322 8.683 -11.048 1.00 0.00 C ATOM 916 CG ASN A 58 5.681 7.671 -12.138 1.00 0.00 C ATOM 917 OD1 ASN A 58 6.833 7.330 -12.312 1.00 0.00 O ATOM 918 ND2 ASN A 58 4.734 7.172 -12.885 1.00 0.00 N ATOM 0 H ASN A 58 6.719 6.995 -9.400 1.00 0.00 H new ATOM 0 HA ASN A 58 7.217 9.660 -10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.517 8.293 -10.426 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.957 9.606 -11.500 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.962 6.496 -13.614 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.766 7.458 -12.740 1.00 0.00 H new ATOM 925 N PRO A 59 6.973 10.375 -8.223 1.00 0.00 N ATOM 926 CA PRO A 59 6.660 11.017 -6.908 1.00 0.00 C ATOM 927 C PRO A 59 5.259 11.640 -6.868 1.00 0.00 C ATOM 928 O PRO A 59 4.792 12.074 -5.834 1.00 0.00 O ATOM 929 CB PRO A 59 7.745 12.091 -6.774 1.00 0.00 C ATOM 930 CG PRO A 59 8.914 11.534 -7.519 1.00 0.00 C ATOM 931 CD PRO A 59 8.326 10.740 -8.691 1.00 0.00 C ATOM 0 HA PRO A 59 6.656 10.294 -6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.419 13.040 -7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.992 12.278 -5.729 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.566 12.332 -7.876 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.517 10.893 -6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.287 11.339 -9.601 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.924 9.857 -8.916 1.00 0.00 H new ATOM 939 N THR A 60 4.585 11.677 -7.983 1.00 0.00 N ATOM 940 CA THR A 60 3.214 12.259 -8.012 1.00 0.00 C ATOM 941 C THR A 60 2.222 11.211 -7.501 1.00 0.00 C ATOM 942 O THR A 60 1.349 11.497 -6.706 1.00 0.00 O ATOM 943 CB THR A 60 2.857 12.643 -9.455 1.00 0.00 C ATOM 944 OG1 THR A 60 1.454 12.522 -9.640 1.00 0.00 O ATOM 945 CG2 THR A 60 3.585 11.712 -10.432 1.00 0.00 C ATOM 0 H THR A 60 4.926 11.328 -8.879 1.00 0.00 H new ATOM 0 HA THR A 60 3.171 13.147 -7.381 1.00 0.00 H new ATOM 0 HB THR A 60 3.163 13.672 -9.643 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.223 12.768 -10.560 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.330 11.987 -11.455 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.662 11.805 -10.289 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.282 10.681 -10.247 1.00 0.00 H new ATOM 953 N GLN A 61 2.363 9.993 -7.953 1.00 0.00 N ATOM 954 CA GLN A 61 1.452 8.898 -7.509 1.00 0.00 C ATOM 955 C GLN A 61 2.101 8.156 -6.337 1.00 0.00 C ATOM 956 O GLN A 61 2.455 6.999 -6.447 1.00 0.00 O ATOM 957 CB GLN A 61 1.210 7.923 -8.669 1.00 0.00 C ATOM 958 CG GLN A 61 1.059 8.701 -9.981 1.00 0.00 C ATOM 959 CD GLN A 61 0.361 7.826 -11.025 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.087 6.738 -10.722 1.00 0.00 O ATOM 961 NE2 GLN A 61 0.247 8.259 -12.251 1.00 0.00 N ATOM 0 H GLN A 61 3.080 9.707 -8.620 1.00 0.00 H new ATOM 0 HA GLN A 61 0.497 9.319 -7.195 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.041 7.222 -8.745 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.312 7.334 -8.480 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.482 9.610 -9.811 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.039 9.008 -10.347 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.623 9.172 -12.506 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.218 7.684 -12.954 1.00 0.00 H new ATOM 970 N THR A 62 2.286 8.817 -5.223 1.00 0.00 N ATOM 971 CA THR A 62 2.945 8.149 -4.059 1.00 0.00 C ATOM 972 C THR A 62 1.885 7.582 -3.117 1.00 0.00 C ATOM 973 O THR A 62 0.808 8.123 -2.965 1.00 0.00 O ATOM 974 CB THR A 62 3.799 9.170 -3.304 1.00 0.00 C ATOM 975 OG1 THR A 62 3.024 10.331 -3.041 1.00 0.00 O ATOM 976 CG2 THR A 62 5.014 9.546 -4.153 1.00 0.00 C ATOM 0 H THR A 62 2.011 9.787 -5.069 1.00 0.00 H new ATOM 0 HA THR A 62 3.575 7.337 -4.422 1.00 0.00 H new ATOM 0 HB THR A 62 4.136 8.738 -2.362 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.569 10.985 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.622 10.273 -3.615 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.608 8.654 -4.354 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.679 9.979 -5.096 1.00 0.00 H new ATOM 984 N LEU A 63 2.190 6.469 -2.503 1.00 0.00 N ATOM 985 CA LEU A 63 1.223 5.804 -1.581 1.00 0.00 C ATOM 986 C LEU A 63 1.583 6.134 -0.124 1.00 0.00 C ATOM 987 O LEU A 63 2.740 6.269 0.220 1.00 0.00 O ATOM 988 CB LEU A 63 1.318 4.285 -1.829 1.00 0.00 C ATOM 989 CG LEU A 63 -0.030 3.595 -1.580 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.089 4.076 -2.602 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.170 2.078 -1.711 1.00 0.00 C ATOM 0 H LEU A 63 3.082 5.985 -2.603 1.00 0.00 H new ATOM 0 HA LEU A 63 0.207 6.154 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.639 4.101 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.076 3.854 -1.175 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.387 3.845 -0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.037 3.574 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.223 5.154 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.754 3.839 -3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.778 1.570 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.529 1.844 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.902 1.743 -0.976 1.00 0.00 H new ATOM 1003 N LYS A 64 0.593 6.260 0.734 1.00 0.00 N ATOM 1004 CA LYS A 64 0.860 6.579 2.175 1.00 0.00 C ATOM 1005 C LYS A 64 0.447 5.387 3.044 1.00 0.00 C ATOM 1006 O LYS A 64 -0.589 4.786 2.836 1.00 0.00 O ATOM 1007 CB LYS A 64 0.037 7.803 2.582 1.00 0.00 C ATOM 1008 CG LYS A 64 0.462 9.009 1.741 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.083 10.290 2.377 1.00 0.00 C ATOM 1010 CE LYS A 64 0.185 11.478 1.450 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.638 11.807 1.473 1.00 0.00 N ATOM 0 H LYS A 64 -0.393 6.155 0.495 1.00 0.00 H new ATOM 0 HA LYS A 64 1.922 6.785 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.025 7.604 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.182 8.016 3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.549 9.056 1.676 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.086 8.907 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.153 10.191 2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.390 10.457 3.345 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.129 11.238 0.434 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.399 12.341 1.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.770 12.771 1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.137 11.132 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.023 11.748 0.509 1.00 0.00 H new ATOM 1025 N ILE A 65 1.246 5.043 4.021 1.00 0.00 N ATOM 1026 CA ILE A 65 0.898 3.891 4.909 1.00 0.00 C ATOM 1027 C ILE A 65 0.185 4.407 6.159 1.00 0.00 C ATOM 1028 O ILE A 65 0.525 5.443 6.695 1.00 0.00 O ATOM 1029 CB ILE A 65 2.175 3.160 5.336 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.221 4.183 5.787 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.724 2.352 4.161 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.436 3.458 6.372 1.00 0.00 C ATOM 0 H ILE A 65 2.125 5.510 4.243 1.00 0.00 H new ATOM 0 HA ILE A 65 0.248 3.207 4.364 1.00 0.00 H new ATOM 0 HB ILE A 65 1.946 2.485 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.526 4.801 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.791 4.852 6.533 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.632 1.834 4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.980 1.622 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.952 3.023 3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.178 4.190 6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.125 2.859 7.228 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.872 2.808 5.613 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.796 3.680 6.632 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.540 4.100 7.861 1.00 0.00 C ATOM 1046 C ARG A 66 -1.180 3.148 9.002 1.00 0.00 C ATOM 1047 O ARG A 66 -1.176 3.522 10.158 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.045 4.029 7.592 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.798 4.752 8.711 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.302 4.540 8.533 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.019 5.028 9.745 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.323 4.994 9.791 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.000 4.532 8.775 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -7.950 5.421 10.853 1.00 0.00 N ATOM 0 H ARG A 66 -1.117 2.806 6.216 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.270 5.121 8.130 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.275 4.486 6.630 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.367 2.989 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.479 4.373 9.682 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.565 5.817 8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.653 5.074 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.515 3.483 8.372 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.490 5.389 10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.510 4.198 7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.019 4.505 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.421 5.781 11.647 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.969 5.394 10.889 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.872 1.919 8.681 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.506 0.935 9.739 1.00 0.00 C ATOM 1070 C ASN A 67 -0.056 -0.375 9.083 1.00 0.00 C ATOM 1071 O ASN A 67 -0.866 -1.152 8.615 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.720 0.664 10.631 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.386 -0.446 11.630 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.232 -0.690 11.920 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.354 -1.132 12.172 1.00 0.00 N ATOM 0 H ASN A 67 -0.858 1.554 7.729 1.00 0.00 H new ATOM 0 HA ASN A 67 0.306 1.340 10.344 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.003 1.572 11.163 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.575 0.372 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.142 -1.874 12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.323 -0.927 11.928 1.00 0.00 H new ATOM 1082 N ALA A 68 1.228 -0.626 9.045 1.00 0.00 N ATOM 1083 CA ALA A 68 1.729 -1.887 8.422 1.00 0.00 C ATOM 1084 C ALA A 68 1.649 -3.032 9.434 1.00 0.00 C ATOM 1085 O ALA A 68 1.686 -2.822 10.630 1.00 0.00 O ATOM 1086 CB ALA A 68 3.182 -1.705 7.986 1.00 0.00 C ATOM 0 H ALA A 68 1.951 -0.011 9.419 1.00 0.00 H new ATOM 0 HA ALA A 68 1.113 -2.123 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.544 -2.627 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.245 -0.894 7.260 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.795 -1.463 8.854 1.00 0.00 H new ATOM 1092 N THR A 69 1.547 -4.246 8.958 1.00 0.00 N ATOM 1093 CA THR A 69 1.473 -5.420 9.880 1.00 0.00 C ATOM 1094 C THR A 69 2.198 -6.603 9.237 1.00 0.00 C ATOM 1095 O THR A 69 2.108 -6.823 8.046 1.00 0.00 O ATOM 1096 CB THR A 69 0.008 -5.791 10.126 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.442 -6.645 9.084 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.846 -4.522 10.152 1.00 0.00 C ATOM 0 H THR A 69 1.512 -4.476 7.965 1.00 0.00 H new ATOM 0 HA THR A 69 1.943 -5.170 10.831 1.00 0.00 H new ATOM 0 HB THR A 69 -0.081 -6.305 11.083 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.379 -6.885 9.240 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.888 -4.788 10.327 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.500 -3.867 10.951 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.759 -4.005 9.196 1.00 0.00 H new ATOM 1106 N HIS A 70 2.923 -7.364 10.012 1.00 0.00 N ATOM 1107 CA HIS A 70 3.662 -8.526 9.439 1.00 0.00 C ATOM 1108 C HIS A 70 2.680 -9.636 9.053 1.00 0.00 C ATOM 1109 O HIS A 70 2.841 -10.777 9.438 1.00 0.00 O ATOM 1110 CB HIS A 70 4.650 -9.059 10.478 1.00 0.00 C ATOM 1111 CG HIS A 70 5.760 -8.062 10.674 1.00 0.00 C ATOM 1112 ND1 HIS A 70 6.138 -7.616 11.933 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.582 -7.417 9.783 1.00 0.00 C ATOM 1114 CE1 HIS A 70 7.147 -6.740 11.767 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.453 -6.585 10.476 1.00 0.00 N ATOM 0 H HIS A 70 3.036 -7.231 11.017 1.00 0.00 H new ATOM 0 HA HIS A 70 4.201 -8.203 8.548 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.138 -9.239 11.423 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.059 -10.015 10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.556 -7.538 8.710 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.646 -6.227 12.576 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.175 -5.982 10.081 1.00 0.00 H new ATOM 1124 N TYR A 71 1.668 -9.317 8.292 1.00 0.00 N ATOM 1125 CA TYR A 71 0.688 -10.362 7.883 1.00 0.00 C ATOM 1126 C TYR A 71 0.234 -11.143 9.119 1.00 0.00 C ATOM 1127 O TYR A 71 0.402 -12.342 9.207 1.00 0.00 O ATOM 1128 CB TYR A 71 1.350 -11.314 6.880 1.00 0.00 C ATOM 1129 CG TYR A 71 0.384 -12.413 6.498 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.689 -12.131 5.644 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.561 -13.712 6.992 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.585 -13.147 5.285 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.335 -14.726 6.634 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.407 -14.444 5.781 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.290 -15.444 5.427 1.00 0.00 O ATOM 0 H TYR A 71 1.478 -8.380 7.937 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.178 -9.893 7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.657 -10.763 5.991 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.251 -11.745 7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.826 -11.130 5.262 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.389 -13.931 7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.412 -12.930 4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.199 -15.727 7.017 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.023 -16.283 5.856 1.00 0.00 H new ATOM 1145 N SER A 72 -0.338 -10.468 10.078 1.00 0.00 N ATOM 1146 CA SER A 72 -0.802 -11.168 11.309 1.00 0.00 C ATOM 1147 C SER A 72 -2.151 -11.836 11.034 1.00 0.00 C ATOM 1148 O SER A 72 -2.940 -11.362 10.241 1.00 0.00 O ATOM 1149 CB SER A 72 -0.953 -10.156 12.445 1.00 0.00 C ATOM 1150 OG SER A 72 0.335 -9.799 12.929 1.00 0.00 O ATOM 0 H SER A 72 -0.504 -9.462 10.062 1.00 0.00 H new ATOM 0 HA SER A 72 -0.073 -11.926 11.595 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.480 -9.270 12.091 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.552 -10.582 13.250 1.00 0.00 H new ATOM 0 HG SER A 72 0.242 -9.149 13.656 1.00 0.00 H new ATOM 1156 N SER A 73 -2.421 -12.937 11.680 1.00 0.00 N ATOM 1157 CA SER A 73 -3.717 -13.635 11.453 1.00 0.00 C ATOM 1158 C SER A 73 -4.872 -12.730 11.886 1.00 0.00 C ATOM 1159 O SER A 73 -5.877 -12.628 11.214 1.00 0.00 O ATOM 1160 CB SER A 73 -3.748 -14.926 12.273 1.00 0.00 C ATOM 1161 OG SER A 73 -3.650 -14.607 13.655 1.00 0.00 O ATOM 0 H SER A 73 -1.800 -13.383 12.355 1.00 0.00 H new ATOM 0 HA SER A 73 -3.820 -13.871 10.394 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.671 -15.472 12.079 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.925 -15.577 11.979 1.00 0.00 H new ATOM 0 HG SER A 73 -3.671 -15.432 14.183 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.738 -12.073 13.005 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.832 -11.180 13.481 1.00 0.00 C ATOM 1169 C GLU A 74 -6.076 -10.070 12.455 1.00 0.00 C ATOM 1170 O GLU A 74 -7.200 -9.687 12.199 1.00 0.00 O ATOM 1171 CB GLU A 74 -5.432 -10.556 14.820 1.00 0.00 C ATOM 1172 CG GLU A 74 -5.131 -11.665 15.830 1.00 0.00 C ATOM 1173 CD GLU A 74 -6.431 -12.374 16.212 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -7.093 -11.906 17.123 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -6.742 -13.375 15.588 1.00 0.00 O ATOM 0 H GLU A 74 -3.918 -12.116 13.610 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.745 -11.762 13.606 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.556 -9.920 14.690 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.235 -9.920 15.191 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.427 -12.379 15.403 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.659 -11.244 16.718 1.00 0.00 H new ATOM 1182 N ARG A 75 -5.034 -9.548 11.868 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.212 -8.462 10.863 1.00 0.00 C ATOM 1184 C ARG A 75 -5.807 -9.041 9.578 1.00 0.00 C ATOM 1185 O ARG A 75 -6.759 -8.518 9.034 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.853 -7.825 10.557 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.294 -7.161 11.824 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.181 -5.978 12.248 1.00 0.00 C ATOM 1189 NE ARG A 75 -3.352 -4.982 12.984 1.00 0.00 N ATOM 1190 CZ ARG A 75 -3.011 -5.206 14.224 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -3.395 -6.303 14.819 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -2.287 -4.333 14.869 1.00 0.00 N ATOM 0 H ARG A 75 -4.068 -9.826 12.041 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.888 -7.706 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.158 -8.583 10.196 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.958 -7.085 9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.241 -7.891 12.631 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.277 -6.814 11.641 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.634 -5.515 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.997 -6.328 12.880 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.051 -4.125 12.519 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.962 -6.985 14.315 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.128 -6.478 15.788 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.988 -3.476 14.404 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.020 -4.508 15.838 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.257 -10.117 9.088 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.795 -10.725 7.838 1.00 0.00 C ATOM 1208 C TRP A 76 -7.215 -11.241 8.089 1.00 0.00 C ATOM 1209 O TRP A 76 -8.057 -11.216 7.214 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.890 -11.884 7.408 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.501 -12.605 6.249 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.918 -13.892 6.269 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.771 -12.110 4.904 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -6.426 -14.218 5.026 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.358 -13.154 4.150 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.566 -10.870 4.272 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.728 -12.974 2.816 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.937 -10.685 2.930 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.517 -11.736 2.204 1.00 0.00 C ATOM 0 H TRP A 76 -4.459 -10.602 9.498 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.822 -9.975 7.048 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.905 -11.505 7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.746 -12.573 8.241 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.863 -14.557 7.119 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.805 -15.134 4.785 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.120 -10.055 4.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.174 -13.786 2.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.775 -9.729 2.455 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -6.800 -11.588 1.172 1.00 0.00 H new