USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 Single : A 8 TYR OH : rot 180:sc= -0.921 USER MOD Single : A 12 THR OG1 : rot -62:sc= -1.24! USER MOD Single : A 13 ASN : amide:sc= -0.534 K(o=-0.53,f=-1.9!) USER MOD Single : A 17 SER OG : rot 45:sc= -0.615! USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 0.808 (180deg=0.75) USER MOD Single : A 30 SER OG : rot -55:sc= 0.25 USER MOD Single : A 37 ASN : amide:sc= -0.235 K(o=-0.23,f=-0.75) USER MOD Single : A 40 GLN : amide:sc= -0.38 K(o=-0.38,f=-1.2) USER MOD Single : A 44 HIS : no HD1:sc= -0.45 X(o=-0.45,f=-0.2) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 177:sc= -1.26 (180deg=-1.32) USER MOD Single : A 54 GLN : amide:sc= -0.884 K(o=-0.88,f=-0.036) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 59 TYR OH : rot -15:sc= -0.337 USER MOD Single : A 60 GLN : amide:sc= -0.097 X(o=-0.097,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0111 K(o=-0.011,f=-1.4!) USER MOD Single : A 73 THR OG1 : rot 32:sc= -8.29! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0415 K(o=-0.042,f=-2.9!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.309 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 12.159 -1.051 16.135 1.00 0.00 N ATOM 2 CA TYR A 8 11.222 -1.984 15.455 1.00 0.00 C ATOM 3 C TYR A 8 11.668 -2.160 14.001 1.00 0.00 C ATOM 4 O TYR A 8 11.278 -1.409 13.128 1.00 0.00 O ATOM 5 CB TYR A 8 9.812 -1.393 15.502 1.00 0.00 C ATOM 6 CG TYR A 8 8.919 -2.135 14.541 1.00 0.00 C ATOM 7 CD1 TYR A 8 8.357 -3.361 14.911 1.00 0.00 C ATOM 8 CD2 TYR A 8 8.658 -1.596 13.278 1.00 0.00 C ATOM 9 CE1 TYR A 8 7.530 -4.047 14.016 1.00 0.00 C ATOM 10 CE2 TYR A 8 7.830 -2.282 12.382 1.00 0.00 C ATOM 11 CZ TYR A 8 7.267 -3.509 12.751 1.00 0.00 C ATOM 12 OH TYR A 8 6.453 -4.187 11.867 1.00 0.00 O ATOM 0 HA TYR A 8 11.222 -2.954 15.953 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.412 -1.462 16.513 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.842 -0.335 15.243 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.561 -3.777 15.886 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.095 -0.650 12.994 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.094 -4.993 14.301 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.626 -1.865 11.407 1.00 0.00 H new ATOM 0 HH TYR A 8 6.374 -3.674 11.036 1.00 0.00 H new ATOM 22 N VAL A 9 12.495 -3.138 13.733 1.00 0.00 N ATOM 23 CA VAL A 9 12.975 -3.344 12.336 1.00 0.00 C ATOM 24 C VAL A 9 12.345 -4.599 11.737 1.00 0.00 C ATOM 25 O VAL A 9 12.966 -5.315 10.976 1.00 0.00 O ATOM 26 CB VAL A 9 14.495 -3.494 12.340 1.00 0.00 C ATOM 27 CG1 VAL A 9 15.000 -3.620 10.902 1.00 0.00 C ATOM 28 CG2 VAL A 9 15.125 -2.266 12.997 1.00 0.00 C ATOM 0 H VAL A 9 12.857 -3.800 14.419 1.00 0.00 H new ATOM 0 HA VAL A 9 12.688 -2.482 11.733 1.00 0.00 H new ATOM 0 HB VAL A 9 14.771 -4.388 12.900 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.085 -3.727 10.905 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.550 -4.496 10.434 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.725 -2.727 10.340 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.210 -2.372 13.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 14.849 -1.372 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 9 14.766 -2.177 14.022 1.00 0.00 H new ATOM 38 N ALA A 10 11.116 -4.865 12.058 1.00 0.00 N ATOM 39 CA ALA A 10 10.447 -6.070 11.489 1.00 0.00 C ATOM 40 C ALA A 10 9.114 -6.328 12.204 1.00 0.00 C ATOM 41 O ALA A 10 9.007 -6.136 13.400 1.00 0.00 O ATOM 42 CB ALA A 10 11.354 -7.286 11.660 1.00 0.00 C ATOM 0 H ALA A 10 10.542 -4.304 12.688 1.00 0.00 H new ATOM 0 HA ALA A 10 10.255 -5.897 10.430 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.864 -8.166 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 10 12.296 -7.114 11.138 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.551 -7.447 12.720 1.00 0.00 H new ATOM 48 N PRO A 11 8.137 -6.763 11.445 1.00 0.00 N ATOM 49 CA PRO A 11 6.792 -7.068 11.966 1.00 0.00 C ATOM 50 C PRO A 11 6.747 -8.496 12.533 1.00 0.00 C ATOM 51 O PRO A 11 7.761 -9.076 12.867 1.00 0.00 O ATOM 52 CB PRO A 11 5.903 -6.964 10.724 1.00 0.00 C ATOM 53 CG PRO A 11 6.829 -7.184 9.500 1.00 0.00 C ATOM 54 CD PRO A 11 8.275 -6.977 9.991 1.00 0.00 C ATOM 0 HA PRO A 11 6.485 -6.404 12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.111 -7.712 10.750 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.419 -5.989 10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.699 -8.187 9.093 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.588 -6.482 8.702 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.897 -7.845 9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.742 -6.120 9.505 1.00 0.00 H new ATOM 62 N THR A 12 5.574 -9.064 12.629 1.00 0.00 N ATOM 63 CA THR A 12 5.448 -10.454 13.158 1.00 0.00 C ATOM 64 C THR A 12 4.621 -11.290 12.178 1.00 0.00 C ATOM 65 O THR A 12 4.940 -12.427 11.893 1.00 0.00 O ATOM 66 CB THR A 12 4.746 -10.430 14.518 1.00 0.00 C ATOM 67 OG1 THR A 12 3.887 -9.301 14.588 1.00 0.00 O ATOM 68 CG2 THR A 12 5.789 -10.351 15.634 1.00 0.00 C ATOM 0 H THR A 12 4.694 -8.623 12.363 1.00 0.00 H new ATOM 0 HA THR A 12 6.441 -10.889 13.273 1.00 0.00 H new ATOM 0 HB THR A 12 4.159 -11.340 14.638 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.418 -8.481 14.516 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.286 -10.334 16.601 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.445 -11.220 15.581 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.380 -9.443 15.516 1.00 0.00 H new ATOM 76 N ASN A 13 3.563 -10.730 11.652 1.00 0.00 N ATOM 77 CA ASN A 13 2.721 -11.481 10.685 1.00 0.00 C ATOM 78 C ASN A 13 2.470 -10.582 9.478 1.00 0.00 C ATOM 79 O ASN A 13 2.813 -9.416 9.488 1.00 0.00 O ATOM 80 CB ASN A 13 1.391 -11.855 11.345 1.00 0.00 C ATOM 81 CG ASN A 13 1.577 -13.125 12.179 1.00 0.00 C ATOM 82 OD1 ASN A 13 2.679 -13.618 12.317 1.00 0.00 O ATOM 83 ND2 ASN A 13 0.539 -13.679 12.743 1.00 0.00 N ATOM 0 H ASN A 13 3.248 -9.781 11.854 1.00 0.00 H new ATOM 0 HA ASN A 13 3.223 -12.396 10.372 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.044 -11.038 11.978 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.627 -12.015 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.653 -14.526 13.300 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.386 -13.265 12.627 1.00 0.00 H new ATOM 90 N ALA A 14 1.889 -11.095 8.431 1.00 0.00 N ATOM 91 CA ALA A 14 1.656 -10.225 7.251 1.00 0.00 C ATOM 92 C ALA A 14 0.526 -9.241 7.538 1.00 0.00 C ATOM 93 O ALA A 14 0.549 -8.114 7.086 1.00 0.00 O ATOM 94 CB ALA A 14 1.315 -11.057 6.026 1.00 0.00 C ATOM 0 H ALA A 14 1.571 -12.060 8.342 1.00 0.00 H new ATOM 0 HA ALA A 14 2.573 -9.671 7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.148 -10.398 5.174 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.140 -11.735 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.412 -11.636 6.219 1.00 0.00 H new ATOM 100 N VAL A 15 -0.459 -9.628 8.300 1.00 0.00 N ATOM 101 CA VAL A 15 -1.543 -8.659 8.599 1.00 0.00 C ATOM 102 C VAL A 15 -0.878 -7.387 9.108 1.00 0.00 C ATOM 103 O VAL A 15 -1.104 -6.295 8.607 1.00 0.00 O ATOM 104 CB VAL A 15 -2.475 -9.219 9.664 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.438 -8.119 10.114 1.00 0.00 C ATOM 106 CG2 VAL A 15 -3.271 -10.380 9.067 1.00 0.00 C ATOM 0 H VAL A 15 -0.558 -10.553 8.719 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.137 -8.460 7.707 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.897 -9.571 10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.109 -8.513 10.877 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.870 -7.284 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.022 -7.775 9.260 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.942 -10.788 9.823 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.855 -10.023 8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.585 -11.158 8.733 1.00 0.00 H new ATOM 116 N GLU A 16 -0.023 -7.532 10.081 1.00 0.00 N ATOM 117 CA GLU A 16 0.698 -6.355 10.606 1.00 0.00 C ATOM 118 C GLU A 16 1.692 -5.919 9.528 1.00 0.00 C ATOM 119 O GLU A 16 2.027 -4.761 9.418 1.00 0.00 O ATOM 120 CB GLU A 16 1.401 -6.732 11.927 1.00 0.00 C ATOM 121 CG GLU A 16 2.846 -6.218 11.960 1.00 0.00 C ATOM 122 CD GLU A 16 3.330 -6.167 13.410 1.00 0.00 C ATOM 123 OE1 GLU A 16 3.123 -7.139 14.116 1.00 0.00 O ATOM 124 OE2 GLU A 16 3.897 -5.156 13.791 1.00 0.00 O ATOM 0 H GLU A 16 0.204 -8.419 10.532 1.00 0.00 H new ATOM 0 HA GLU A 16 0.024 -5.528 10.829 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.846 -6.316 12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.396 -7.815 12.047 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.490 -6.872 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.902 -5.227 11.510 1.00 0.00 H new ATOM 131 N SER A 17 2.149 -6.836 8.707 1.00 0.00 N ATOM 132 CA SER A 17 3.093 -6.429 7.632 1.00 0.00 C ATOM 133 C SER A 17 2.456 -5.288 6.847 1.00 0.00 C ATOM 134 O SER A 17 3.044 -4.236 6.663 1.00 0.00 O ATOM 135 CB SER A 17 3.390 -7.583 6.686 1.00 0.00 C ATOM 136 OG SER A 17 4.185 -8.546 7.366 1.00 0.00 O ATOM 0 H SER A 17 1.912 -7.828 8.737 1.00 0.00 H new ATOM 0 HA SER A 17 4.034 -6.118 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.460 -8.037 6.342 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.913 -7.220 5.802 1.00 0.00 H new ATOM 0 HG SER A 17 3.818 -8.699 8.262 1.00 0.00 H new ATOM 142 N LYS A 18 1.239 -5.473 6.398 1.00 0.00 N ATOM 143 CA LYS A 18 0.578 -4.376 5.647 1.00 0.00 C ATOM 144 C LYS A 18 0.343 -3.218 6.600 1.00 0.00 C ATOM 145 O LYS A 18 0.887 -2.148 6.424 1.00 0.00 O ATOM 146 CB LYS A 18 -0.769 -4.831 5.075 1.00 0.00 C ATOM 147 CG LYS A 18 -1.449 -3.643 4.372 1.00 0.00 C ATOM 148 CD LYS A 18 -0.416 -2.874 3.543 1.00 0.00 C ATOM 149 CE LYS A 18 -1.120 -1.805 2.707 1.00 0.00 C ATOM 150 NZ LYS A 18 -1.339 -2.323 1.328 1.00 0.00 N ATOM 0 H LYS A 18 0.687 -6.322 6.519 1.00 0.00 H new ATOM 0 HA LYS A 18 1.220 -4.078 4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.620 -5.649 4.370 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.407 -5.210 5.873 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.253 -4.000 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.902 -2.982 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.319 -2.410 4.200 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.126 -3.560 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.073 -1.539 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.518 -0.897 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.949 -1.664 0.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.424 -2.411 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.797 -3.255 1.376 1.00 0.00 H new ATOM 164 N LEU A 19 -0.456 -3.434 7.619 1.00 0.00 N ATOM 165 CA LEU A 19 -0.728 -2.344 8.600 1.00 0.00 C ATOM 166 C LEU A 19 0.571 -1.581 8.861 1.00 0.00 C ATOM 167 O LEU A 19 0.616 -0.374 8.772 1.00 0.00 O ATOM 168 CB LEU A 19 -1.243 -2.954 9.906 1.00 0.00 C ATOM 169 CG LEU A 19 -2.747 -2.706 10.043 1.00 0.00 C ATOM 170 CD1 LEU A 19 -2.992 -1.254 10.452 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.442 -2.985 8.704 1.00 0.00 C ATOM 0 H LEU A 19 -0.929 -4.317 7.810 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.480 -1.662 8.204 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.040 -4.025 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.715 -2.517 10.754 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.152 -3.371 10.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.064 -1.079 10.549 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.504 -1.058 11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.583 -0.588 9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.513 -2.807 8.806 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.036 -2.324 7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.272 -4.022 8.415 1.00 0.00 H new ATOM 183 N ALA A 20 1.637 -2.276 9.152 1.00 0.00 N ATOM 184 CA ALA A 20 2.928 -1.574 9.376 1.00 0.00 C ATOM 185 C ALA A 20 3.158 -0.649 8.182 1.00 0.00 C ATOM 186 O ALA A 20 3.395 0.532 8.333 1.00 0.00 O ATOM 187 CB ALA A 20 4.066 -2.595 9.465 1.00 0.00 C ATOM 0 H ALA A 20 1.668 -3.291 9.243 1.00 0.00 H new ATOM 0 HA ALA A 20 2.901 -1.006 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.010 -2.075 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.879 -3.277 10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.121 -3.161 8.535 1.00 0.00 H new ATOM 193 N GLU A 21 3.062 -1.177 6.987 1.00 0.00 N ATOM 194 CA GLU A 21 3.248 -0.316 5.785 1.00 0.00 C ATOM 195 C GLU A 21 2.210 0.809 5.830 1.00 0.00 C ATOM 196 O GLU A 21 2.547 1.972 5.926 1.00 0.00 O ATOM 197 CB GLU A 21 3.054 -1.154 4.518 1.00 0.00 C ATOM 198 CG GLU A 21 4.420 -1.540 3.947 1.00 0.00 C ATOM 199 CD GLU A 21 4.263 -2.738 3.008 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.362 -3.527 3.233 1.00 0.00 O ATOM 201 OE2 GLU A 21 5.047 -2.844 2.078 1.00 0.00 O ATOM 0 H GLU A 21 2.864 -2.159 6.795 1.00 0.00 H new ATOM 0 HA GLU A 21 4.253 0.106 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.477 -2.050 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.486 -0.589 3.779 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.852 -0.697 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.107 -1.787 4.756 1.00 0.00 H new ATOM 208 N ILE A 22 0.946 0.465 5.778 1.00 0.00 N ATOM 209 CA ILE A 22 -0.121 1.518 5.839 1.00 0.00 C ATOM 210 C ILE A 22 0.264 2.526 6.912 1.00 0.00 C ATOM 211 O ILE A 22 0.195 3.725 6.728 1.00 0.00 O ATOM 212 CB ILE A 22 -1.500 0.890 6.162 1.00 0.00 C ATOM 213 CG1 ILE A 22 -1.921 1.174 7.602 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.494 -0.621 5.941 1.00 0.00 C ATOM 215 CD1 ILE A 22 -3.344 0.677 7.795 1.00 0.00 C ATOM 0 H ILE A 22 0.606 -0.493 5.696 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.203 2.011 4.871 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.215 1.350 5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.248 0.675 8.299 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.861 2.242 7.811 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.477 -1.027 6.177 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.254 -0.835 4.900 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.747 -1.080 6.588 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.662 0.872 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.008 1.197 7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.385 -0.395 7.600 1.00 0.00 H new ATOM 227 N TRP A 23 0.659 2.023 8.034 1.00 0.00 N ATOM 228 CA TRP A 23 1.051 2.891 9.162 1.00 0.00 C ATOM 229 C TRP A 23 2.140 3.875 8.719 1.00 0.00 C ATOM 230 O TRP A 23 1.920 5.063 8.611 1.00 0.00 O ATOM 231 CB TRP A 23 1.615 2.004 10.268 1.00 0.00 C ATOM 232 CG TRP A 23 0.556 1.696 11.264 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.536 0.933 11.037 1.00 0.00 C ATOM 234 CD2 TRP A 23 0.482 2.127 12.644 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.280 0.872 12.199 1.00 0.00 N ATOM 236 CE2 TRP A 23 -0.694 1.602 13.220 1.00 0.00 C ATOM 237 CE3 TRP A 23 1.316 2.923 13.438 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.031 1.859 14.550 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.986 3.187 14.776 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.190 2.658 15.330 1.00 0.00 C ATOM 0 H TRP A 23 0.729 1.023 8.222 1.00 0.00 H new ATOM 0 HA TRP A 23 0.184 3.452 9.511 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.004 1.080 9.841 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.450 2.505 10.757 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -0.785 0.451 10.103 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.153 0.353 12.294 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.220 3.337 13.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -1.934 1.444 14.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.639 3.799 15.381 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -0.445 2.868 16.358 1.00 0.00 H new ATOM 251 N GLU A 24 3.325 3.378 8.485 1.00 0.00 N ATOM 252 CA GLU A 24 4.455 4.262 8.076 1.00 0.00 C ATOM 253 C GLU A 24 4.095 5.027 6.793 1.00 0.00 C ATOM 254 O GLU A 24 4.303 6.219 6.697 1.00 0.00 O ATOM 255 CB GLU A 24 5.714 3.389 7.878 1.00 0.00 C ATOM 256 CG GLU A 24 6.402 3.685 6.537 1.00 0.00 C ATOM 257 CD GLU A 24 7.585 2.732 6.355 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.360 1.533 6.370 1.00 0.00 O ATOM 259 OE2 GLU A 24 8.695 3.217 6.207 1.00 0.00 O ATOM 0 H GLU A 24 3.560 2.388 8.560 1.00 0.00 H new ATOM 0 HA GLU A 24 4.654 5.003 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.414 3.568 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.437 2.336 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.694 3.565 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.746 4.719 6.512 1.00 0.00 H new ATOM 266 N ARG A 25 3.577 4.353 5.803 1.00 0.00 N ATOM 267 CA ARG A 25 3.229 5.049 4.529 1.00 0.00 C ATOM 268 C ARG A 25 2.152 6.111 4.780 1.00 0.00 C ATOM 269 O ARG A 25 2.372 7.292 4.598 1.00 0.00 O ATOM 270 CB ARG A 25 2.701 4.023 3.518 1.00 0.00 C ATOM 271 CG ARG A 25 1.956 4.743 2.388 1.00 0.00 C ATOM 272 CD ARG A 25 1.866 3.834 1.164 1.00 0.00 C ATOM 273 NE ARG A 25 2.987 4.149 0.233 1.00 0.00 N ATOM 274 CZ ARG A 25 3.034 3.595 -0.949 1.00 0.00 C ATOM 275 NH1 ARG A 25 3.374 2.341 -1.069 1.00 0.00 N ATOM 276 NH2 ARG A 25 2.743 4.297 -2.010 1.00 0.00 N ATOM 0 H ARG A 25 3.380 3.352 5.820 1.00 0.00 H new ATOM 0 HA ARG A 25 4.122 5.535 4.136 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.528 3.443 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.034 3.319 4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.956 5.021 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.474 5.666 2.129 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.914 2.789 1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.909 3.976 0.661 1.00 0.00 H new ATOM 0 HE ARG A 25 3.719 4.799 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.603 1.793 -0.240 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.411 1.909 -1.992 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.479 5.278 -1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.780 3.865 -2.933 1.00 0.00 H new ATOM 290 N VAL A 26 0.981 5.691 5.163 1.00 0.00 N ATOM 291 CA VAL A 26 -0.128 6.658 5.391 1.00 0.00 C ATOM 292 C VAL A 26 0.224 7.643 6.508 1.00 0.00 C ATOM 293 O VAL A 26 -0.145 8.800 6.461 1.00 0.00 O ATOM 294 CB VAL A 26 -1.384 5.884 5.778 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.567 6.845 5.864 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.664 4.817 4.717 1.00 0.00 C ATOM 0 H VAL A 26 0.742 4.713 5.329 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.295 7.224 4.475 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.238 5.406 6.746 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.465 6.293 6.141 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.363 7.607 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.719 7.323 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.561 4.260 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.813 5.296 3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.817 4.133 4.656 1.00 0.00 H new ATOM 306 N LEU A 27 0.914 7.201 7.518 1.00 0.00 N ATOM 307 CA LEU A 27 1.258 8.127 8.633 1.00 0.00 C ATOM 308 C LEU A 27 2.527 8.913 8.289 1.00 0.00 C ATOM 309 O LEU A 27 2.656 10.073 8.624 1.00 0.00 O ATOM 310 CB LEU A 27 1.461 7.319 9.913 1.00 0.00 C ATOM 311 CG LEU A 27 0.246 6.409 10.123 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.492 5.482 11.311 1.00 0.00 C ATOM 313 CD2 LEU A 27 -0.993 7.266 10.395 1.00 0.00 C ATOM 0 H LEU A 27 1.254 6.245 7.622 1.00 0.00 H new ATOM 0 HA LEU A 27 0.445 8.837 8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.371 6.723 9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.583 7.987 10.765 1.00 0.00 H new ATOM 0 HG LEU A 27 0.088 5.810 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.375 4.838 11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.372 4.868 11.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.655 6.077 12.209 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.857 6.619 10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.831 7.867 11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.175 7.923 9.545 1.00 0.00 H new ATOM 325 N GLY A 28 3.460 8.300 7.615 1.00 0.00 N ATOM 326 CA GLY A 28 4.707 9.028 7.243 1.00 0.00 C ATOM 327 C GLY A 28 5.783 8.813 8.310 1.00 0.00 C ATOM 328 O GLY A 28 6.311 9.754 8.869 1.00 0.00 O ATOM 0 H GLY A 28 3.414 7.329 7.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.068 8.676 6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.497 10.092 7.137 1.00 0.00 H new ATOM 332 N VAL A 29 6.120 7.585 8.592 1.00 0.00 N ATOM 333 CA VAL A 29 7.172 7.321 9.617 1.00 0.00 C ATOM 334 C VAL A 29 8.095 6.214 9.114 1.00 0.00 C ATOM 335 O VAL A 29 7.837 5.593 8.101 1.00 0.00 O ATOM 336 CB VAL A 29 6.541 6.875 10.945 1.00 0.00 C ATOM 337 CG1 VAL A 29 7.049 7.771 12.075 1.00 0.00 C ATOM 338 CG2 VAL A 29 5.014 6.972 10.870 1.00 0.00 C ATOM 0 H VAL A 29 5.715 6.755 8.160 1.00 0.00 H new ATOM 0 HA VAL A 29 7.733 8.241 9.784 1.00 0.00 H new ATOM 0 HB VAL A 29 6.821 5.839 11.137 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.602 7.456 13.018 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.134 7.691 12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.773 8.806 11.871 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.582 6.653 11.818 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.724 8.003 10.668 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.647 6.329 10.070 1.00 0.00 H new ATOM 348 N SER A 30 9.164 5.952 9.813 1.00 0.00 N ATOM 349 CA SER A 30 10.087 4.874 9.369 1.00 0.00 C ATOM 350 C SER A 30 10.411 3.969 10.558 1.00 0.00 C ATOM 351 O SER A 30 11.526 3.517 10.729 1.00 0.00 O ATOM 352 CB SER A 30 11.376 5.486 8.817 1.00 0.00 C ATOM 353 OG SER A 30 12.122 4.480 8.144 1.00 0.00 O ATOM 0 H SER A 30 9.437 6.436 10.669 1.00 0.00 H new ATOM 0 HA SER A 30 9.610 4.288 8.583 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.141 6.301 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.967 5.912 9.628 1.00 0.00 H new ATOM 0 HG SER A 30 12.272 3.724 8.749 1.00 0.00 H new ATOM 359 N GLY A 31 9.433 3.702 11.377 1.00 0.00 N ATOM 360 CA GLY A 31 9.657 2.824 12.559 1.00 0.00 C ATOM 361 C GLY A 31 8.315 2.232 12.996 1.00 0.00 C ATOM 362 O GLY A 31 7.920 1.176 12.543 1.00 0.00 O ATOM 0 H GLY A 31 8.482 4.057 11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.358 2.027 12.310 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.101 3.395 13.374 1.00 0.00 H new ATOM 366 N ILE A 32 7.601 2.910 13.859 1.00 0.00 N ATOM 367 CA ILE A 32 6.280 2.389 14.307 1.00 0.00 C ATOM 368 C ILE A 32 6.458 1.013 14.957 1.00 0.00 C ATOM 369 O ILE A 32 7.250 0.202 14.519 1.00 0.00 O ATOM 370 CB ILE A 32 5.345 2.285 13.099 1.00 0.00 C ATOM 371 CG1 ILE A 32 5.256 3.652 12.416 1.00 0.00 C ATOM 372 CG2 ILE A 32 3.952 1.850 13.558 1.00 0.00 C ATOM 373 CD1 ILE A 32 5.070 3.466 10.908 1.00 0.00 C ATOM 0 H ILE A 32 7.878 3.801 14.271 1.00 0.00 H new ATOM 0 HA ILE A 32 5.847 3.068 15.041 1.00 0.00 H new ATOM 0 HB ILE A 32 5.735 1.547 12.398 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.422 4.221 12.827 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.161 4.227 12.612 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.291 1.778 12.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.017 0.878 14.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.554 2.584 14.259 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.007 4.442 10.426 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.918 2.915 10.502 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.152 2.909 10.721 1.00 0.00 H new ATOM 385 N GLY A 33 5.732 0.746 16.007 1.00 0.00 N ATOM 386 CA GLY A 33 5.865 -0.573 16.687 1.00 0.00 C ATOM 387 C GLY A 33 4.698 -1.481 16.286 1.00 0.00 C ATOM 388 O GLY A 33 4.208 -1.417 15.178 1.00 0.00 O ATOM 0 H GLY A 33 5.053 1.383 16.423 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.812 -1.040 16.414 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.877 -0.436 17.768 1.00 0.00 H new ATOM 392 N ILE A 34 4.256 -2.337 17.173 1.00 0.00 N ATOM 393 CA ILE A 34 3.131 -3.254 16.833 1.00 0.00 C ATOM 394 C ILE A 34 1.891 -2.906 17.666 1.00 0.00 C ATOM 395 O ILE A 34 0.910 -3.623 17.654 1.00 0.00 O ATOM 396 CB ILE A 34 3.562 -4.695 17.124 1.00 0.00 C ATOM 397 CG1 ILE A 34 2.487 -5.665 16.630 1.00 0.00 C ATOM 398 CG2 ILE A 34 3.759 -4.876 18.630 1.00 0.00 C ATOM 399 CD1 ILE A 34 3.019 -7.098 16.705 1.00 0.00 C ATOM 0 H ILE A 34 4.627 -2.439 18.118 1.00 0.00 H new ATOM 0 HA ILE A 34 2.881 -3.146 15.778 1.00 0.00 H new ATOM 0 HB ILE A 34 4.499 -4.901 16.607 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.587 -5.568 17.238 1.00 0.00 H new ATOM 0 HG13 ILE A 34 2.207 -5.423 15.605 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.066 -5.901 18.836 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.529 -4.189 18.981 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.823 -4.666 19.147 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.253 -7.789 16.353 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.906 -7.190 16.079 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.277 -7.337 17.737 1.00 0.00 H new ATOM 411 N LEU A 35 1.906 -1.803 18.371 1.00 0.00 N ATOM 412 CA LEU A 35 0.707 -1.424 19.169 1.00 0.00 C ATOM 413 C LEU A 35 0.780 0.059 19.555 1.00 0.00 C ATOM 414 O LEU A 35 0.753 0.416 20.717 1.00 0.00 O ATOM 415 CB LEU A 35 0.598 -2.283 20.428 1.00 0.00 C ATOM 416 CG LEU A 35 -0.438 -3.386 20.207 1.00 0.00 C ATOM 417 CD1 LEU A 35 0.079 -4.699 20.797 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.748 -2.998 20.898 1.00 0.00 C ATOM 0 H LEU A 35 2.692 -1.155 18.427 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.179 -1.594 18.557 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.567 -2.722 20.666 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.311 -1.665 21.279 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.612 -3.513 19.138 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.660 -5.485 20.639 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.013 -4.975 20.307 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.253 -4.574 21.866 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.488 -3.783 20.742 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.572 -2.872 21.966 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.117 -2.062 20.478 1.00 0.00 H new ATOM 430 N ASP A 36 0.824 0.919 18.574 1.00 0.00 N ATOM 431 CA ASP A 36 0.844 2.382 18.843 1.00 0.00 C ATOM 432 C ASP A 36 -0.602 2.896 18.820 1.00 0.00 C ATOM 433 O ASP A 36 -1.439 2.376 18.111 1.00 0.00 O ATOM 434 CB ASP A 36 1.644 3.088 17.746 1.00 0.00 C ATOM 435 CG ASP A 36 3.056 3.389 18.252 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.405 2.886 19.309 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.765 4.115 17.575 1.00 0.00 O ATOM 0 H ASP A 36 0.847 0.665 17.586 1.00 0.00 H new ATOM 0 HA ASP A 36 1.303 2.581 19.811 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.692 2.460 16.856 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.146 4.013 17.457 1.00 0.00 H new ATOM 442 N ASN A 37 -0.912 3.906 19.585 1.00 0.00 N ATOM 443 CA ASN A 37 -2.310 4.430 19.585 1.00 0.00 C ATOM 444 C ASN A 37 -2.486 5.398 18.415 1.00 0.00 C ATOM 445 O ASN A 37 -2.921 6.520 18.590 1.00 0.00 O ATOM 446 CB ASN A 37 -2.575 5.167 20.895 1.00 0.00 C ATOM 447 CG ASN A 37 -3.738 4.498 21.629 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.827 3.287 21.673 1.00 0.00 O ATOM 449 ND2 ASN A 37 -4.640 5.240 22.213 1.00 0.00 N ATOM 0 H ASN A 37 -0.264 4.390 20.207 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.011 3.602 19.484 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.681 5.154 21.519 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.810 6.213 20.696 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.419 4.803 22.706 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.566 6.257 22.176 1.00 0.00 H new ATOM 456 N PHE A 38 -2.140 4.974 17.227 1.00 0.00 N ATOM 457 CA PHE A 38 -2.262 5.870 16.028 1.00 0.00 C ATOM 458 C PHE A 38 -1.889 7.306 16.398 1.00 0.00 C ATOM 459 O PHE A 38 -2.329 8.249 15.769 1.00 0.00 O ATOM 460 CB PHE A 38 -3.708 5.858 15.490 1.00 0.00 C ATOM 461 CG PHE A 38 -4.015 4.539 14.817 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.134 4.025 13.867 1.00 0.00 C ATOM 463 CD2 PHE A 38 -5.173 3.822 15.155 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.403 2.804 13.250 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.436 2.594 14.541 1.00 0.00 C ATOM 466 CZ PHE A 38 -4.551 2.086 13.590 1.00 0.00 C ATOM 0 H PHE A 38 -1.776 4.042 17.031 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.583 5.499 15.261 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.408 6.026 16.309 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.845 6.675 14.781 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.241 4.574 13.608 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.860 4.218 15.888 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.722 2.413 12.508 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.324 2.039 14.803 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.754 1.137 13.116 1.00 0.00 H new ATOM 476 N PHE A 39 -1.072 7.491 17.396 1.00 0.00 N ATOM 477 CA PHE A 39 -0.677 8.877 17.764 1.00 0.00 C ATOM 478 C PHE A 39 0.578 8.864 18.637 1.00 0.00 C ATOM 479 O PHE A 39 0.810 9.766 19.418 1.00 0.00 O ATOM 480 CB PHE A 39 -1.808 9.577 18.514 1.00 0.00 C ATOM 481 CG PHE A 39 -1.512 11.055 18.534 1.00 0.00 C ATOM 482 CD1 PHE A 39 -1.316 11.738 17.329 1.00 0.00 C ATOM 483 CD2 PHE A 39 -1.409 11.736 19.750 1.00 0.00 C ATOM 484 CE1 PHE A 39 -1.023 13.105 17.339 1.00 0.00 C ATOM 485 CE2 PHE A 39 -1.111 13.103 19.762 1.00 0.00 C ATOM 486 CZ PHE A 39 -0.917 13.787 18.555 1.00 0.00 C ATOM 0 H PHE A 39 -0.665 6.751 17.967 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.468 9.422 16.843 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.764 9.387 18.025 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.887 9.191 19.530 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.391 11.209 16.390 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.559 11.207 20.680 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.879 13.634 16.408 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.031 13.630 20.701 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.685 14.842 18.564 1.00 0.00 H new ATOM 496 N GLN A 40 1.405 7.867 18.499 1.00 0.00 N ATOM 497 CA GLN A 40 2.655 7.831 19.308 1.00 0.00 C ATOM 498 C GLN A 40 3.683 8.747 18.628 1.00 0.00 C ATOM 499 O GLN A 40 4.743 9.018 19.156 1.00 0.00 O ATOM 500 CB GLN A 40 3.198 6.386 19.349 1.00 0.00 C ATOM 501 CG GLN A 40 2.467 5.602 20.439 1.00 0.00 C ATOM 502 CD GLN A 40 2.888 6.127 21.811 1.00 0.00 C ATOM 503 OE1 GLN A 40 4.046 6.417 22.033 1.00 0.00 O ATOM 504 NE2 GLN A 40 1.992 6.258 22.751 1.00 0.00 N ATOM 0 H GLN A 40 1.271 7.079 17.865 1.00 0.00 H new ATOM 0 HA GLN A 40 2.462 8.166 20.327 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.056 5.904 18.381 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.270 6.394 19.547 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.389 5.703 20.314 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.699 4.540 20.357 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.019 6.015 22.566 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.265 6.604 23.671 1.00 0.00 H new ATOM 513 N ILE A 41 3.356 9.228 17.457 1.00 0.00 N ATOM 514 CA ILE A 41 4.271 10.134 16.710 1.00 0.00 C ATOM 515 C ILE A 41 3.604 10.463 15.374 1.00 0.00 C ATOM 516 O ILE A 41 4.144 10.212 14.315 1.00 0.00 O ATOM 517 CB ILE A 41 5.614 9.438 16.470 1.00 0.00 C ATOM 518 CG1 ILE A 41 6.435 10.247 15.463 1.00 0.00 C ATOM 519 CG2 ILE A 41 5.374 8.031 15.919 1.00 0.00 C ATOM 520 CD1 ILE A 41 7.770 10.649 16.095 1.00 0.00 C ATOM 0 H ILE A 41 2.477 9.026 16.981 1.00 0.00 H new ATOM 0 HA ILE A 41 4.458 11.045 17.278 1.00 0.00 H new ATOM 0 HB ILE A 41 6.158 9.369 17.412 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.610 9.657 14.563 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.883 11.136 15.159 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.331 7.538 15.749 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.791 7.454 16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.828 8.097 14.978 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.354 11.225 15.377 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.585 11.255 16.982 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.323 9.753 16.377 1.00 0.00 H new ATOM 532 N GLY A 42 2.413 11.002 15.425 1.00 0.00 N ATOM 533 CA GLY A 42 1.679 11.327 14.170 1.00 0.00 C ATOM 534 C GLY A 42 0.355 10.560 14.161 1.00 0.00 C ATOM 535 O GLY A 42 0.308 9.386 14.476 1.00 0.00 O ATOM 0 H GLY A 42 1.917 11.231 16.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.494 12.399 14.108 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.278 11.056 13.301 1.00 0.00 H new ATOM 539 N GLY A 43 -0.724 11.205 13.814 1.00 0.00 N ATOM 540 CA GLY A 43 -2.034 10.497 13.800 1.00 0.00 C ATOM 541 C GLY A 43 -3.029 11.260 12.922 1.00 0.00 C ATOM 542 O GLY A 43 -3.030 11.132 11.714 1.00 0.00 O ATOM 0 H GLY A 43 -0.755 12.187 13.541 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.905 9.483 13.422 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.422 10.412 14.815 1.00 0.00 H new ATOM 546 N HIS A 44 -3.882 12.043 13.523 1.00 0.00 N ATOM 547 CA HIS A 44 -4.887 12.807 12.730 1.00 0.00 C ATOM 548 C HIS A 44 -6.020 11.866 12.316 1.00 0.00 C ATOM 549 O HIS A 44 -5.790 10.774 11.838 1.00 0.00 O ATOM 550 CB HIS A 44 -4.226 13.397 11.483 1.00 0.00 C ATOM 551 CG HIS A 44 -4.846 14.735 11.181 1.00 0.00 C ATOM 552 ND1 HIS A 44 -4.469 15.499 10.086 1.00 0.00 N ATOM 553 CD2 HIS A 44 -5.818 15.460 11.826 1.00 0.00 C ATOM 554 CE1 HIS A 44 -5.204 16.626 10.108 1.00 0.00 C ATOM 555 NE2 HIS A 44 -6.043 16.653 11.147 1.00 0.00 N ATOM 0 H HIS A 44 -3.927 12.187 14.532 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.287 13.619 13.337 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.153 13.507 11.643 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.354 12.724 10.636 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -6.330 15.150 12.725 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.125 17.414 9.374 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -6.706 17.389 11.390 1.00 0.00 H new ATOM 563 N SER A 45 -7.242 12.278 12.505 1.00 0.00 N ATOM 564 CA SER A 45 -8.387 11.402 12.129 1.00 0.00 C ATOM 565 C SER A 45 -8.308 11.065 10.638 1.00 0.00 C ATOM 566 O SER A 45 -8.328 9.914 10.252 1.00 0.00 O ATOM 567 CB SER A 45 -9.702 12.125 12.419 1.00 0.00 C ATOM 568 OG SER A 45 -10.746 11.168 12.536 1.00 0.00 O ATOM 0 H SER A 45 -7.498 13.182 12.903 1.00 0.00 H new ATOM 0 HA SER A 45 -8.343 10.482 12.711 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.618 12.703 13.339 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.927 12.830 11.619 1.00 0.00 H new ATOM 0 HG SER A 45 -11.591 11.627 12.724 1.00 0.00 H new ATOM 574 N LEU A 46 -8.222 12.060 9.798 1.00 0.00 N ATOM 575 CA LEU A 46 -8.146 11.793 8.334 1.00 0.00 C ATOM 576 C LEU A 46 -7.042 10.773 8.051 1.00 0.00 C ATOM 577 O LEU A 46 -7.269 9.755 7.429 1.00 0.00 O ATOM 578 CB LEU A 46 -7.839 13.094 7.591 1.00 0.00 C ATOM 579 CG LEU A 46 -8.821 13.258 6.430 1.00 0.00 C ATOM 580 CD1 LEU A 46 -8.771 12.015 5.539 1.00 0.00 C ATOM 581 CD2 LEU A 46 -10.237 13.432 6.982 1.00 0.00 C ATOM 0 H LEU A 46 -8.201 13.045 10.062 1.00 0.00 H new ATOM 0 HA LEU A 46 -9.102 11.395 7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.918 13.942 8.271 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.815 13.080 7.217 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.548 14.136 5.844 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.471 12.132 4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.762 11.889 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.044 11.137 6.124 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.938 13.549 6.155 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.510 12.554 7.567 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.274 14.317 7.617 1.00 0.00 H new ATOM 593 N LYS A 47 -5.846 11.040 8.496 1.00 0.00 N ATOM 594 CA LYS A 47 -4.729 10.088 8.245 1.00 0.00 C ATOM 595 C LYS A 47 -5.103 8.698 8.770 1.00 0.00 C ATOM 596 O LYS A 47 -5.164 7.735 8.025 1.00 0.00 O ATOM 597 CB LYS A 47 -3.467 10.584 8.954 1.00 0.00 C ATOM 598 CG LYS A 47 -2.276 10.495 7.997 1.00 0.00 C ATOM 599 CD LYS A 47 -1.546 11.838 7.961 1.00 0.00 C ATOM 600 CE LYS A 47 -0.036 11.600 7.913 1.00 0.00 C ATOM 601 NZ LYS A 47 0.584 12.532 6.932 1.00 0.00 N ATOM 0 H LYS A 47 -5.594 11.876 9.023 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.543 10.026 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.604 11.613 9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.278 9.984 9.844 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.595 9.708 8.320 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.619 10.229 6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.862 12.412 7.090 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.804 12.427 8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.398 11.754 8.901 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.171 10.568 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.611 12.370 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.177 12.365 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.398 13.514 7.220 1.00 0.00 H new ATOM 615 N ALA A 48 -5.361 8.575 10.044 1.00 0.00 N ATOM 616 CA ALA A 48 -5.730 7.239 10.580 1.00 0.00 C ATOM 617 C ALA A 48 -6.878 6.679 9.750 1.00 0.00 C ATOM 618 O ALA A 48 -6.864 5.527 9.366 1.00 0.00 O ATOM 619 CB ALA A 48 -6.163 7.349 12.037 1.00 0.00 C ATOM 0 H ALA A 48 -5.332 9.332 10.727 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.865 6.578 10.525 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.430 6.361 12.413 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.343 7.754 12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.026 8.010 12.111 1.00 0.00 H new ATOM 625 N MET A 49 -7.871 7.474 9.448 1.00 0.00 N ATOM 626 CA MET A 49 -8.981 6.935 8.625 1.00 0.00 C ATOM 627 C MET A 49 -8.352 6.264 7.408 1.00 0.00 C ATOM 628 O MET A 49 -8.684 5.151 7.062 1.00 0.00 O ATOM 629 CB MET A 49 -9.937 8.049 8.175 1.00 0.00 C ATOM 630 CG MET A 49 -11.337 7.489 7.796 1.00 0.00 C ATOM 631 SD MET A 49 -11.315 5.682 7.560 1.00 0.00 S ATOM 632 CE MET A 49 -11.869 5.647 5.839 1.00 0.00 C ATOM 0 H MET A 49 -7.958 8.450 9.730 1.00 0.00 H new ATOM 0 HA MET A 49 -9.568 6.227 9.210 1.00 0.00 H new ATOM 0 HB2 MET A 49 -10.043 8.782 8.975 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.510 8.571 7.319 1.00 0.00 H new ATOM 0 HG2 MET A 49 -12.052 7.743 8.579 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.683 7.969 6.881 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.873 4.618 5.479 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.876 6.058 5.773 1.00 0.00 H new ATOM 0 HE3 MET A 49 -11.192 6.243 5.227 1.00 0.00 H new ATOM 642 N ALA A 50 -7.405 6.914 6.780 1.00 0.00 N ATOM 643 CA ALA A 50 -6.732 6.272 5.623 1.00 0.00 C ATOM 644 C ALA A 50 -6.270 4.896 6.089 1.00 0.00 C ATOM 645 O ALA A 50 -6.644 3.890 5.534 1.00 0.00 O ATOM 646 CB ALA A 50 -5.533 7.113 5.183 1.00 0.00 C ATOM 0 H ALA A 50 -7.076 7.849 7.018 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.408 6.187 4.772 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.045 6.635 4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.873 8.107 4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.825 7.197 6.008 1.00 0.00 H new ATOM 652 N VAL A 51 -5.493 4.845 7.143 1.00 0.00 N ATOM 653 CA VAL A 51 -5.048 3.543 7.685 1.00 0.00 C ATOM 654 C VAL A 51 -6.251 2.595 7.704 1.00 0.00 C ATOM 655 O VAL A 51 -6.307 1.610 6.985 1.00 0.00 O ATOM 656 CB VAL A 51 -4.566 3.782 9.126 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.955 2.518 9.714 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.523 4.897 9.143 1.00 0.00 C ATOM 0 H VAL A 51 -5.150 5.662 7.649 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.249 3.112 7.082 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.428 4.068 9.729 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.622 2.715 10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.701 1.723 9.723 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.103 2.210 9.108 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.184 5.063 10.166 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.674 4.611 8.522 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.965 5.814 8.754 1.00 0.00 H new ATOM 668 N ALA A 52 -7.225 2.898 8.516 1.00 0.00 N ATOM 669 CA ALA A 52 -8.434 2.035 8.581 1.00 0.00 C ATOM 670 C ALA A 52 -8.917 1.759 7.157 1.00 0.00 C ATOM 671 O ALA A 52 -9.233 0.642 6.807 1.00 0.00 O ATOM 672 CB ALA A 52 -9.525 2.746 9.379 1.00 0.00 C ATOM 0 H ALA A 52 -7.235 3.707 9.137 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.197 1.092 9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.411 2.114 9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.166 2.945 10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.777 3.688 8.892 1.00 0.00 H new ATOM 678 N ALA A 53 -8.955 2.763 6.320 1.00 0.00 N ATOM 679 CA ALA A 53 -9.387 2.532 4.918 1.00 0.00 C ATOM 680 C ALA A 53 -8.438 1.507 4.314 1.00 0.00 C ATOM 681 O ALA A 53 -8.847 0.534 3.716 1.00 0.00 O ATOM 682 CB ALA A 53 -9.309 3.837 4.120 1.00 0.00 C ATOM 0 H ALA A 53 -8.706 3.726 6.548 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.417 2.176 4.890 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -9.628 3.655 3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.961 4.582 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -8.282 4.204 4.121 1.00 0.00 H new ATOM 688 N GLN A 54 -7.163 1.708 4.503 1.00 0.00 N ATOM 689 CA GLN A 54 -6.172 0.739 3.985 1.00 0.00 C ATOM 690 C GLN A 54 -6.642 -0.652 4.382 1.00 0.00 C ATOM 691 O GLN A 54 -6.462 -1.615 3.665 1.00 0.00 O ATOM 692 CB GLN A 54 -4.807 1.030 4.607 1.00 0.00 C ATOM 693 CG GLN A 54 -3.727 0.448 3.704 1.00 0.00 C ATOM 694 CD GLN A 54 -3.383 1.447 2.598 1.00 0.00 C ATOM 695 OE1 GLN A 54 -3.782 1.275 1.464 1.00 0.00 O ATOM 696 NE2 GLN A 54 -2.652 2.491 2.881 1.00 0.00 N ATOM 0 H GLN A 54 -6.768 2.508 4.998 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.081 0.813 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.665 2.105 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.744 0.592 5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.836 0.218 4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.072 -0.489 3.266 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.317 2.636 3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.416 3.162 2.150 1.00 0.00 H new ATOM 705 N VAL A 55 -7.272 -0.752 5.517 1.00 0.00 N ATOM 706 CA VAL A 55 -7.790 -2.070 5.968 1.00 0.00 C ATOM 707 C VAL A 55 -8.927 -2.494 5.027 1.00 0.00 C ATOM 708 O VAL A 55 -9.072 -3.652 4.689 1.00 0.00 O ATOM 709 CB VAL A 55 -8.321 -1.943 7.397 1.00 0.00 C ATOM 710 CG1 VAL A 55 -8.612 -3.330 7.964 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.274 -1.249 8.276 1.00 0.00 C ATOM 0 H VAL A 55 -7.451 0.025 6.153 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.995 -2.816 5.949 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.238 -1.354 7.385 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -8.990 -3.235 8.982 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.359 -3.827 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.695 -3.920 7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.655 -1.160 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.356 -1.837 8.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.066 -0.256 7.878 1.00 0.00 H new ATOM 721 N HIS A 56 -9.727 -1.557 4.595 1.00 0.00 N ATOM 722 CA HIS A 56 -10.845 -1.893 3.670 1.00 0.00 C ATOM 723 C HIS A 56 -10.287 -2.092 2.259 1.00 0.00 C ATOM 724 O HIS A 56 -10.664 -3.010 1.557 1.00 0.00 O ATOM 725 CB HIS A 56 -11.857 -0.744 3.665 1.00 0.00 C ATOM 726 CG HIS A 56 -13.177 -1.241 3.144 1.00 0.00 C ATOM 727 ND1 HIS A 56 -13.984 -2.100 3.873 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.842 -1.009 1.966 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.079 -2.351 3.134 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.044 -1.711 1.962 1.00 0.00 N ATOM 0 H HIS A 56 -9.653 -0.571 4.844 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.337 -2.808 3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.978 -0.347 4.673 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.493 0.073 3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.487 -0.378 1.165 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -15.889 -2.992 3.450 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.747 -1.732 1.223 1.00 0.00 H new ATOM 738 N ARG A 57 -9.381 -1.250 1.843 1.00 0.00 N ATOM 739 CA ARG A 57 -8.790 -1.408 0.485 1.00 0.00 C ATOM 740 C ARG A 57 -7.924 -2.665 0.484 1.00 0.00 C ATOM 741 O ARG A 57 -7.907 -3.425 -0.463 1.00 0.00 O ATOM 742 CB ARG A 57 -7.931 -0.189 0.145 1.00 0.00 C ATOM 743 CG ARG A 57 -8.691 0.715 -0.824 1.00 0.00 C ATOM 744 CD ARG A 57 -7.844 0.950 -2.075 1.00 0.00 C ATOM 745 NE ARG A 57 -7.323 -0.354 -2.572 1.00 0.00 N ATOM 746 CZ ARG A 57 -7.910 -0.950 -3.575 1.00 0.00 C ATOM 747 NH1 ARG A 57 -7.640 -0.587 -4.798 1.00 0.00 N ATOM 748 NH2 ARG A 57 -8.765 -1.911 -3.354 1.00 0.00 N ATOM 0 H ARG A 57 -9.025 -0.461 2.384 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.581 -1.494 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.684 0.360 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.989 -0.508 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.641 0.256 -1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.922 1.666 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.443 1.433 -2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.016 1.621 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.509 -0.781 -2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.970 0.163 -4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.099 -1.053 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.975 -2.197 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.223 -2.376 -4.138 1.00 0.00 H new ATOM 762 N GLU A 58 -7.217 -2.893 1.556 1.00 0.00 N ATOM 763 CA GLU A 58 -6.363 -4.104 1.643 1.00 0.00 C ATOM 764 C GLU A 58 -7.265 -5.317 1.869 1.00 0.00 C ATOM 765 O GLU A 58 -7.164 -6.318 1.186 1.00 0.00 O ATOM 766 CB GLU A 58 -5.390 -3.962 2.815 1.00 0.00 C ATOM 767 CG GLU A 58 -4.473 -5.184 2.866 1.00 0.00 C ATOM 768 CD GLU A 58 -3.767 -5.359 1.518 1.00 0.00 C ATOM 769 OE1 GLU A 58 -4.393 -5.874 0.607 1.00 0.00 O ATOM 770 OE2 GLU A 58 -2.612 -4.979 1.423 1.00 0.00 O ATOM 0 H GLU A 58 -7.196 -2.288 2.377 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.793 -4.228 0.722 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.798 -3.054 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.942 -3.869 3.750 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.736 -5.064 3.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.053 -6.076 3.102 1.00 0.00 H new ATOM 777 N TYR A 59 -8.164 -5.227 2.811 1.00 0.00 N ATOM 778 CA TYR A 59 -9.087 -6.366 3.066 1.00 0.00 C ATOM 779 C TYR A 59 -10.530 -5.872 2.986 1.00 0.00 C ATOM 780 O TYR A 59 -10.809 -4.702 3.150 1.00 0.00 O ATOM 781 CB TYR A 59 -8.861 -6.951 4.467 1.00 0.00 C ATOM 782 CG TYR A 59 -7.473 -6.634 4.966 1.00 0.00 C ATOM 783 CD1 TYR A 59 -6.397 -7.466 4.638 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.269 -5.515 5.778 1.00 0.00 C ATOM 785 CE1 TYR A 59 -5.116 -7.176 5.124 1.00 0.00 C ATOM 786 CE2 TYR A 59 -5.995 -5.224 6.265 1.00 0.00 C ATOM 787 CZ TYR A 59 -4.915 -6.052 5.939 1.00 0.00 C ATOM 788 OH TYR A 59 -3.653 -5.764 6.420 1.00 0.00 O ATOM 0 H TYR A 59 -8.298 -4.415 3.413 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.894 -7.135 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.601 -6.547 5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.005 -8.031 4.442 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.554 -8.331 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.101 -4.873 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.284 -7.817 4.872 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.842 -4.359 6.894 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.074 -6.547 6.310 1.00 0.00 H new ATOM 798 N GLN A 60 -11.449 -6.766 2.765 1.00 0.00 N ATOM 799 CA GLN A 60 -12.881 -6.374 2.707 1.00 0.00 C ATOM 800 C GLN A 60 -13.478 -6.590 4.095 1.00 0.00 C ATOM 801 O GLN A 60 -14.604 -7.020 4.250 1.00 0.00 O ATOM 802 CB GLN A 60 -13.610 -7.249 1.682 1.00 0.00 C ATOM 803 CG GLN A 60 -12.903 -7.141 0.329 1.00 0.00 C ATOM 804 CD GLN A 60 -13.744 -7.839 -0.742 1.00 0.00 C ATOM 805 OE1 GLN A 60 -13.956 -7.301 -1.809 1.00 0.00 O ATOM 806 NE2 GLN A 60 -14.240 -9.023 -0.498 1.00 0.00 N ATOM 0 H GLN A 60 -11.268 -7.759 2.621 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.984 -5.331 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.623 -8.286 2.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -14.648 -6.931 1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.756 -6.094 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.915 -7.597 0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.062 -9.476 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.805 -9.495 -1.204 1.00 0.00 H new ATOM 815 N VAL A 61 -12.705 -6.303 5.104 1.00 0.00 N ATOM 816 CA VAL A 61 -13.171 -6.492 6.504 1.00 0.00 C ATOM 817 C VAL A 61 -13.745 -5.181 7.041 1.00 0.00 C ATOM 818 O VAL A 61 -13.459 -4.112 6.536 1.00 0.00 O ATOM 819 CB VAL A 61 -11.977 -6.915 7.360 1.00 0.00 C ATOM 820 CG1 VAL A 61 -10.883 -5.850 7.263 1.00 0.00 C ATOM 821 CG2 VAL A 61 -12.411 -7.063 8.820 1.00 0.00 C ATOM 0 H VAL A 61 -11.756 -5.940 5.016 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.947 -7.257 6.536 1.00 0.00 H new ATOM 0 HB VAL A 61 -11.596 -7.870 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.030 -6.148 7.872 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.568 -5.745 6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.270 -4.897 7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.556 -7.365 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.795 -6.110 9.184 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.192 -7.820 8.893 1.00 0.00 H new ATOM 831 N GLU A 62 -14.555 -5.254 8.061 1.00 0.00 N ATOM 832 CA GLU A 62 -15.151 -4.013 8.629 1.00 0.00 C ATOM 833 C GLU A 62 -14.096 -3.262 9.446 1.00 0.00 C ATOM 834 O GLU A 62 -13.574 -3.766 10.421 1.00 0.00 O ATOM 835 CB GLU A 62 -16.328 -4.379 9.536 1.00 0.00 C ATOM 836 CG GLU A 62 -17.480 -3.399 9.298 1.00 0.00 C ATOM 837 CD GLU A 62 -18.672 -4.139 8.684 1.00 0.00 C ATOM 838 OE1 GLU A 62 -18.592 -5.350 8.552 1.00 0.00 O ATOM 839 OE2 GLU A 62 -19.645 -3.481 8.354 1.00 0.00 O ATOM 0 H GLU A 62 -14.830 -6.120 8.525 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.501 -3.377 7.815 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.655 -5.398 9.331 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.019 -4.347 10.581 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -17.774 -2.934 10.239 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -17.156 -2.598 8.634 1.00 0.00 H new ATOM 846 N LEU A 63 -13.783 -2.055 9.059 1.00 0.00 N ATOM 847 CA LEU A 63 -12.768 -1.262 9.810 1.00 0.00 C ATOM 848 C LEU A 63 -13.200 0.208 9.822 1.00 0.00 C ATOM 849 O LEU A 63 -12.639 1.025 9.119 1.00 0.00 O ATOM 850 CB LEU A 63 -11.408 -1.398 9.120 1.00 0.00 C ATOM 851 CG LEU A 63 -10.294 -1.514 10.166 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.412 -0.371 11.174 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.404 -2.851 10.903 1.00 0.00 C ATOM 0 H LEU A 63 -14.189 -1.582 8.251 1.00 0.00 H new ATOM 0 HA LEU A 63 -12.688 -1.628 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.405 -2.277 8.476 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.228 -0.534 8.481 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.329 -1.459 9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.618 -0.457 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.321 0.583 10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.381 -0.423 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.608 -2.924 11.644 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.371 -2.913 11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.311 -3.669 10.189 1.00 0.00 H new ATOM 865 N PRO A 64 -14.199 0.493 10.621 1.00 0.00 N ATOM 866 CA PRO A 64 -14.755 1.852 10.750 1.00 0.00 C ATOM 867 C PRO A 64 -13.873 2.701 11.671 1.00 0.00 C ATOM 868 O PRO A 64 -13.032 2.185 12.380 1.00 0.00 O ATOM 869 CB PRO A 64 -16.130 1.612 11.380 1.00 0.00 C ATOM 870 CG PRO A 64 -16.056 0.238 12.090 1.00 0.00 C ATOM 871 CD PRO A 64 -14.865 -0.517 11.470 1.00 0.00 C ATOM 0 HA PRO A 64 -14.811 2.389 9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.375 2.402 12.090 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -16.911 1.614 10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.918 0.364 13.164 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -16.982 -0.320 11.951 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.192 -0.899 12.238 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.198 -1.373 10.884 1.00 0.00 H new ATOM 879 N LEU A 65 -14.050 3.996 11.668 1.00 0.00 N ATOM 880 CA LEU A 65 -13.206 4.847 12.552 1.00 0.00 C ATOM 881 C LEU A 65 -13.521 4.520 14.010 1.00 0.00 C ATOM 882 O LEU A 65 -12.637 4.449 14.840 1.00 0.00 O ATOM 883 CB LEU A 65 -13.459 6.333 12.272 1.00 0.00 C ATOM 884 CG LEU A 65 -12.982 6.698 10.854 1.00 0.00 C ATOM 885 CD1 LEU A 65 -12.683 8.191 10.776 1.00 0.00 C ATOM 886 CD2 LEU A 65 -11.700 5.945 10.501 1.00 0.00 C ATOM 0 H LEU A 65 -14.734 4.495 11.099 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.155 4.641 12.352 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.522 6.554 12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.935 6.943 13.008 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.774 6.426 10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.346 8.443 9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -13.586 8.756 11.008 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.903 8.444 11.494 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.382 6.219 9.495 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.917 6.206 11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.885 4.872 10.543 1.00 0.00 H new ATOM 898 N LYS A 66 -14.766 4.296 14.332 1.00 0.00 N ATOM 899 CA LYS A 66 -15.102 3.944 15.739 1.00 0.00 C ATOM 900 C LYS A 66 -14.197 2.788 16.153 1.00 0.00 C ATOM 901 O LYS A 66 -13.603 2.793 17.213 1.00 0.00 O ATOM 902 CB LYS A 66 -16.570 3.515 15.836 1.00 0.00 C ATOM 903 CG LYS A 66 -17.174 4.045 17.139 1.00 0.00 C ATOM 904 CD LYS A 66 -18.684 4.233 16.969 1.00 0.00 C ATOM 905 CE LYS A 66 -19.364 2.866 16.843 1.00 0.00 C ATOM 906 NZ LYS A 66 -20.680 2.896 17.544 1.00 0.00 N ATOM 0 H LYS A 66 -15.557 4.341 13.689 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.953 4.803 16.393 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.129 3.898 14.982 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.645 2.428 15.804 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -16.974 3.349 17.953 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.708 4.993 17.408 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.091 4.775 17.823 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.888 4.834 16.083 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.506 2.615 15.792 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.729 2.091 17.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.141 1.968 17.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.533 3.117 18.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.286 3.624 17.114 1.00 0.00 H new ATOM 920 N VAL A 67 -14.065 1.806 15.302 1.00 0.00 N ATOM 921 CA VAL A 67 -13.175 0.660 15.619 1.00 0.00 C ATOM 922 C VAL A 67 -11.753 1.206 15.774 1.00 0.00 C ATOM 923 O VAL A 67 -11.055 0.892 16.718 1.00 0.00 O ATOM 924 CB VAL A 67 -13.248 -0.362 14.475 1.00 0.00 C ATOM 925 CG1 VAL A 67 -11.965 -1.192 14.408 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.436 -1.298 14.711 1.00 0.00 C ATOM 0 H VAL A 67 -14.538 1.751 14.400 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.478 0.163 16.540 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.369 0.175 13.534 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.038 -1.910 13.591 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.114 -0.533 14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.827 -1.726 15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.492 -2.026 13.901 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.306 -1.820 15.659 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.357 -0.716 14.741 1.00 0.00 H new ATOM 936 N LEU A 68 -11.331 2.053 14.871 1.00 0.00 N ATOM 937 CA LEU A 68 -9.971 2.644 14.993 1.00 0.00 C ATOM 938 C LEU A 68 -9.895 3.351 16.346 1.00 0.00 C ATOM 939 O LEU A 68 -8.850 3.450 16.953 1.00 0.00 O ATOM 940 CB LEU A 68 -9.744 3.653 13.859 1.00 0.00 C ATOM 941 CG LEU A 68 -8.272 3.659 13.437 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.148 3.060 12.040 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.747 5.094 13.403 1.00 0.00 C ATOM 0 H LEU A 68 -11.868 2.358 14.059 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.205 1.871 14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.373 3.398 13.006 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.039 4.650 14.186 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.693 3.074 14.152 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.102 3.062 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.521 2.036 12.049 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.732 3.653 11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.699 5.091 13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.328 5.677 12.689 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.839 5.539 14.394 1.00 0.00 H new ATOM 955 N PHE A 69 -11.015 3.825 16.830 1.00 0.00 N ATOM 956 CA PHE A 69 -11.033 4.510 18.151 1.00 0.00 C ATOM 957 C PHE A 69 -11.021 3.455 19.260 1.00 0.00 C ATOM 958 O PHE A 69 -10.313 3.575 20.240 1.00 0.00 O ATOM 959 CB PHE A 69 -12.296 5.363 18.268 1.00 0.00 C ATOM 960 CG PHE A 69 -12.128 6.613 17.439 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.226 7.603 17.845 1.00 0.00 C ATOM 962 CD2 PHE A 69 -12.870 6.780 16.264 1.00 0.00 C ATOM 963 CE1 PHE A 69 -11.067 8.763 17.077 1.00 0.00 C ATOM 964 CE2 PHE A 69 -12.710 7.940 15.496 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.809 8.932 15.902 1.00 0.00 C ATOM 0 H PHE A 69 -11.920 3.765 16.363 1.00 0.00 H new ATOM 0 HA PHE A 69 -10.157 5.152 18.245 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -13.164 4.799 17.926 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.477 5.625 19.310 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.652 7.472 18.751 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -13.565 6.015 15.950 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.372 9.527 17.391 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -13.282 8.070 14.589 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.687 9.827 15.309 1.00 0.00 H new ATOM 975 N ALA A 70 -11.794 2.415 19.101 1.00 0.00 N ATOM 976 CA ALA A 70 -11.827 1.338 20.131 1.00 0.00 C ATOM 977 C ALA A 70 -10.470 0.649 20.177 1.00 0.00 C ATOM 978 O ALA A 70 -10.011 0.204 21.209 1.00 0.00 O ATOM 979 CB ALA A 70 -12.883 0.298 19.744 1.00 0.00 C ATOM 0 H ALA A 70 -12.406 2.265 18.299 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.065 1.773 21.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.909 -0.491 20.496 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.861 0.776 19.686 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.632 -0.133 18.775 1.00 0.00 H new ATOM 985 N GLN A 71 -9.842 0.533 19.045 1.00 0.00 N ATOM 986 CA GLN A 71 -8.527 -0.158 18.977 1.00 0.00 C ATOM 987 C GLN A 71 -7.663 0.563 17.942 1.00 0.00 C ATOM 988 O GLN A 71 -7.435 0.055 16.863 1.00 0.00 O ATOM 989 CB GLN A 71 -8.743 -1.627 18.557 1.00 0.00 C ATOM 990 CG GLN A 71 -10.241 -1.881 18.294 1.00 0.00 C ATOM 991 CD GLN A 71 -10.564 -3.367 18.404 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.679 -4.199 18.427 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.817 -3.729 18.472 1.00 0.00 N ATOM 0 H GLN A 71 -10.186 0.891 18.154 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.033 -0.141 19.949 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.165 -1.847 17.660 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.384 -2.295 19.340 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.841 -1.320 19.010 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.507 -1.519 17.301 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.553 -3.024 18.452 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.059 -4.717 18.545 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.232 1.745 18.303 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.411 2.598 17.426 1.00 0.00 C ATOM 1004 C PRO A 72 -4.954 2.131 17.374 1.00 0.00 C ATOM 1005 O PRO A 72 -4.055 2.897 17.658 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.493 3.980 18.091 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.872 3.733 19.570 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.522 2.339 19.628 1.00 0.00 C ATOM 0 HA PRO A 72 -6.765 2.582 16.395 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.540 4.503 18.017 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.239 4.604 17.598 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.990 3.777 20.209 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.562 4.498 19.927 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.102 1.737 20.434 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.595 2.407 19.807 1.00 0.00 H new ATOM 1016 N THR A 73 -4.683 0.901 17.018 1.00 0.00 N ATOM 1017 CA THR A 73 -3.253 0.492 16.980 1.00 0.00 C ATOM 1018 C THR A 73 -2.974 -0.630 15.969 1.00 0.00 C ATOM 1019 O THR A 73 -3.856 -1.114 15.293 1.00 0.00 O ATOM 1020 CB THR A 73 -2.827 0.054 18.372 1.00 0.00 C ATOM 1021 OG1 THR A 73 -1.422 0.076 18.436 1.00 0.00 O ATOM 1022 CG2 THR A 73 -3.329 -1.354 18.647 1.00 0.00 C ATOM 0 H THR A 73 -5.365 0.187 16.761 1.00 0.00 H new ATOM 0 HA THR A 73 -2.674 1.355 16.652 1.00 0.00 H new ATOM 0 HB THR A 73 -3.247 0.728 19.118 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.079 0.787 17.856 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.020 -1.662 19.646 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.417 -1.372 18.582 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.910 -2.040 17.911 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.717 -1.023 15.869 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.302 -2.090 14.903 1.00 0.00 C ATOM 1032 C ILE A 74 -1.825 -3.464 15.326 1.00 0.00 C ATOM 1033 O ILE A 74 -2.778 -3.969 14.769 1.00 0.00 O ATOM 1034 CB ILE A 74 0.230 -2.149 14.849 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.756 -0.902 14.117 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.665 -3.424 14.116 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.049 -1.217 13.353 1.00 0.00 C ATOM 0 H ILE A 74 -0.954 -0.640 16.427 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.720 -1.843 13.927 1.00 0.00 H new ATOM 0 HB ILE A 74 0.640 -2.168 15.859 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.001 -0.537 13.423 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.940 -0.104 14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.753 -3.468 14.077 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.286 -4.297 14.648 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.265 -3.415 13.102 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.399 -0.319 12.845 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.811 -1.558 14.053 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.856 -1.998 12.618 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.186 -4.084 16.285 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.627 -5.442 16.718 1.00 0.00 C ATOM 1051 C LYS A 75 -3.147 -5.488 16.766 1.00 0.00 C ATOM 1052 O LYS A 75 -3.773 -6.322 16.147 1.00 0.00 O ATOM 1053 CB LYS A 75 -1.067 -5.763 18.105 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.283 -7.250 18.401 1.00 0.00 C ATOM 1055 CD LYS A 75 0.045 -7.895 18.801 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.081 -9.419 18.720 1.00 0.00 C ATOM 1057 NZ LYS A 75 -0.310 -9.973 20.085 1.00 0.00 N ATOM 0 H LYS A 75 -0.380 -3.709 16.785 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.256 -6.179 16.006 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.005 -5.522 18.147 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.562 -5.153 18.861 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.012 -7.369 19.203 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.691 -7.750 17.523 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.842 -7.550 18.142 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.316 -7.595 19.813 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.906 -9.692 18.062 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.824 -9.847 18.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.396 -11.008 20.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.491 -9.724 20.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.186 -9.574 20.479 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.747 -4.591 17.489 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.227 -4.581 17.564 1.00 0.00 C ATOM 1073 C ALA A 76 -5.794 -4.567 16.141 1.00 0.00 C ATOM 1074 O ALA A 76 -6.447 -5.498 15.723 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.683 -3.344 18.338 1.00 0.00 C ATOM 0 H ALA A 76 -3.277 -3.866 18.030 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.589 -5.469 18.082 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.771 -3.332 18.396 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.266 -3.371 19.345 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.337 -2.446 17.826 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.536 -3.541 15.373 1.00 0.00 N ATOM 1082 CA LEU A 77 -6.064 -3.538 13.977 1.00 0.00 C ATOM 1083 C LEU A 77 -5.722 -4.876 13.335 1.00 0.00 C ATOM 1084 O LEU A 77 -6.591 -5.651 12.990 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.406 -2.417 13.159 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.327 -1.191 13.035 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -7.080 -1.255 11.708 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.333 -1.133 14.187 1.00 0.00 C ATOM 0 H LEU A 77 -4.994 -2.721 15.644 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.142 -3.377 13.997 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.469 -2.123 13.632 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.158 -2.789 12.165 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.709 -0.294 13.075 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.733 -0.387 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.366 -1.259 10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.679 -2.165 11.673 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.969 -0.256 14.071 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.949 -2.032 14.177 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.798 -1.070 15.135 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.456 -5.154 13.181 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.047 -6.443 12.571 1.00 0.00 C ATOM 1102 C ALA A 78 -4.904 -7.563 13.154 1.00 0.00 C ATOM 1103 O ALA A 78 -5.199 -8.538 12.499 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.576 -6.715 12.884 1.00 0.00 C ATOM 0 H ALA A 78 -3.688 -4.540 13.453 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.183 -6.396 11.490 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.278 -7.662 12.435 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.963 -5.911 12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.437 -6.766 13.964 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.310 -7.426 14.383 1.00 0.00 N ATOM 1111 CA GLN A 79 -6.153 -8.476 15.011 1.00 0.00 C ATOM 1112 C GLN A 79 -7.595 -8.299 14.524 1.00 0.00 C ATOM 1113 O GLN A 79 -8.243 -9.244 14.118 1.00 0.00 O ATOM 1114 CB GLN A 79 -6.037 -8.352 16.544 1.00 0.00 C ATOM 1115 CG GLN A 79 -7.337 -7.829 17.179 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.293 -8.045 18.692 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.558 -7.376 19.391 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -8.058 -8.955 19.233 1.00 0.00 N ATOM 0 H GLN A 79 -5.093 -6.629 14.981 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.822 -9.476 14.730 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.792 -9.325 16.969 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.216 -7.680 16.792 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.461 -6.769 16.956 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.196 -8.347 16.753 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.675 -9.517 18.647 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.038 -9.104 20.242 1.00 0.00 H new ATOM 1127 N TYR A 80 -8.094 -7.092 14.538 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.481 -6.863 14.053 1.00 0.00 C ATOM 1129 C TYR A 80 -9.582 -7.409 12.631 1.00 0.00 C ATOM 1130 O TYR A 80 -10.604 -7.910 12.210 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.789 -5.364 14.051 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.281 -5.160 14.153 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -12.075 -5.208 13.000 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.874 -4.924 15.401 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.459 -5.019 13.094 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.257 -4.737 15.495 1.00 0.00 C ATOM 1137 CZ TYR A 80 -14.050 -4.784 14.341 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.415 -4.601 14.432 1.00 0.00 O ATOM 0 H TYR A 80 -7.602 -6.260 14.863 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.196 -7.366 14.705 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.286 -4.877 14.886 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.409 -4.904 13.138 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.619 -5.391 12.038 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.263 -4.887 16.291 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -14.071 -5.055 12.205 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.713 -4.556 16.457 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.663 -4.450 15.368 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.508 -7.321 11.896 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.501 -7.843 10.496 1.00 0.00 C ATOM 1150 C VAL A 81 -8.087 -9.310 10.515 1.00 0.00 C ATOM 1151 O VAL A 81 -8.855 -10.205 10.220 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.476 -7.079 9.626 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.203 -6.372 8.493 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.714 -6.043 10.460 1.00 0.00 C ATOM 0 H VAL A 81 -7.628 -6.908 12.205 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.500 -7.715 10.080 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.761 -7.797 9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.482 -5.833 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.724 -7.108 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.925 -5.668 8.907 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.999 -5.519 9.825 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.418 -5.326 10.882 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.182 -6.546 11.267 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.854 -9.539 10.849 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.303 -10.916 10.890 1.00 0.00 C ATOM 1166 C ALA A 82 -7.140 -11.805 11.813 1.00 0.00 C ATOM 1167 O ALA A 82 -7.621 -12.846 11.412 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.871 -10.826 11.410 1.00 0.00 C ATOM 0 H ALA A 82 -6.187 -8.810 11.102 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.325 -11.358 9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.436 -11.824 11.452 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.280 -10.201 10.741 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.873 -10.389 12.408 1.00 0.00 H new ATOM 1174 N THR A 83 -7.318 -11.409 13.043 1.00 0.00 N ATOM 1175 CA THR A 83 -8.124 -12.244 13.978 1.00 0.00 C ATOM 1176 C THR A 83 -9.429 -11.518 14.312 1.00 0.00 C ATOM 1177 O THR A 83 -9.820 -11.545 15.467 1.00 0.00 O ATOM 1178 CB THR A 83 -7.327 -12.491 15.261 1.00 0.00 C ATOM 1179 OG1 THR A 83 -7.000 -11.244 15.860 1.00 0.00 O ATOM 1180 CG2 THR A 83 -6.041 -13.252 14.928 1.00 0.00 C ATOM 0 H THR A 83 -6.942 -10.548 13.440 1.00 0.00 H new ATOM 0 HA THR A 83 -8.353 -13.200 13.508 1.00 0.00 H new ATOM 0 HB THR A 83 -7.926 -13.082 15.953 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.491 -11.400 16.683 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.475 -13.427 15.843 1.00 0.00 H new ATOM 0 HG22 THR A 83 -6.292 -14.208 14.468 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.439 -12.664 14.236 1.00 0.00 H new TER 1188 THR A 83