USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 722 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 55 SER OG : rot 73:sc= 0.572 USER MOD Set 1.2: A 83 THR OG1 : rot 126:sc= 0.745 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.443 K(o=-0.23,f=-0.94) USER MOD Set 2.2: A 29 MET CE :methyl 143:sc= -0.183 (180deg=0) USER MOD Set 2.3: A 32 THR OG1 : rot -110:sc= -0.491 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 0.876! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 160:sc= -2.67 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0.00615 (180deg=0.00555) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.716 K(o=-0.72,f=-0.086) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0125 X(o=-0.012,f=-0.22) USER MOD Single : A 64 MET CE :methyl 177:sc= -1.56 (180deg=-1.59) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.695 USER MOD Single : A 66 HIS : no HE2:sc= -2.54! C(o=-2.5!,f=-8.4!) USER MOD Single : A 70 GLN : amide:sc=-0.00685 X(o=-0.0068,f=-0.077) USER MOD Single : A 71 ASN : amide:sc= -3.87! C(o=-3.9!,f=-2.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 165:sc= -0.012 (180deg=-0.188) USER MOD Single : A 76 CYS SG : rot -41:sc= -4.1! USER MOD Single : A 77 THR OG1 : rot -28:sc= 0.347 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl 141:sc= -3.82! (180deg=-5.13!) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 88 SER OG : rot 161:sc= 1.14 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 13:sc= 0.335 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.343 -13.975 16.563 1.00 0.00 N ATOM 2 CA GLY A 1 -16.169 -13.754 15.735 1.00 0.00 C ATOM 3 C GLY A 1 -15.131 -14.857 15.951 1.00 0.00 C ATOM 4 O GLY A 1 -14.809 -15.601 15.026 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.032 -13.214 16.398 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.773 -14.890 16.319 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.065 -13.980 17.565 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.460 -13.724 14.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.730 -12.785 15.972 1.00 0.00 H new ATOM 8 N SER A 2 -14.637 -14.928 17.178 1.00 0.00 N ATOM 9 CA SER A 2 -13.642 -15.928 17.527 1.00 0.00 C ATOM 10 C SER A 2 -12.316 -15.611 16.833 1.00 0.00 C ATOM 11 O SER A 2 -11.346 -15.226 17.485 1.00 0.00 O ATOM 12 CB SER A 2 -14.116 -17.333 17.150 1.00 0.00 C ATOM 13 OG SER A 2 -15.417 -17.612 17.660 1.00 0.00 O ATOM 0 H SER A 2 -14.907 -14.310 17.943 1.00 0.00 H new ATOM 0 HA SER A 2 -13.495 -15.902 18.607 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.123 -17.434 16.065 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.410 -18.069 17.535 1.00 0.00 H new ATOM 0 HG SER A 2 -15.684 -18.517 17.397 1.00 0.00 H new ATOM 19 N SER A 3 -12.316 -15.785 15.520 1.00 0.00 N ATOM 20 CA SER A 3 -11.125 -15.523 14.730 1.00 0.00 C ATOM 21 C SER A 3 -11.265 -14.186 14.000 1.00 0.00 C ATOM 22 O SER A 3 -12.176 -14.008 13.192 1.00 0.00 O ATOM 23 CB SER A 3 -10.868 -16.650 13.728 1.00 0.00 C ATOM 24 OG SER A 3 -11.615 -16.477 12.527 1.00 0.00 O ATOM 0 H SER A 3 -13.122 -16.104 14.983 1.00 0.00 H new ATOM 0 HA SER A 3 -10.271 -15.474 15.406 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.805 -16.689 13.491 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.129 -17.606 14.183 1.00 0.00 H new ATOM 0 HG SER A 3 -12.122 -15.639 12.575 1.00 0.00 H new ATOM 30 N GLY A 4 -10.349 -13.280 14.309 1.00 0.00 N ATOM 31 CA GLY A 4 -10.360 -11.964 13.693 1.00 0.00 C ATOM 32 C GLY A 4 -9.966 -10.883 14.701 1.00 0.00 C ATOM 33 O GLY A 4 -10.782 -10.466 15.521 1.00 0.00 O ATOM 0 H GLY A 4 -9.594 -13.431 14.978 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.670 -11.948 12.849 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.353 -11.752 13.297 1.00 0.00 H new ATOM 37 N SER A 5 -8.714 -10.459 14.607 1.00 0.00 N ATOM 38 CA SER A 5 -8.201 -9.434 15.500 1.00 0.00 C ATOM 39 C SER A 5 -7.182 -8.561 14.766 1.00 0.00 C ATOM 40 O SER A 5 -6.262 -9.075 14.132 1.00 0.00 O ATOM 41 CB SER A 5 -7.567 -10.057 16.746 1.00 0.00 C ATOM 42 OG SER A 5 -6.899 -9.085 17.547 1.00 0.00 O ATOM 0 H SER A 5 -8.040 -10.807 13.926 1.00 0.00 H new ATOM 0 HA SER A 5 -9.036 -8.812 15.822 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.339 -10.547 17.339 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.858 -10.828 16.445 1.00 0.00 H new ATOM 0 HG SER A 5 -6.509 -9.521 18.333 1.00 0.00 H new ATOM 48 N SER A 6 -7.381 -7.256 14.875 1.00 0.00 N ATOM 49 CA SER A 6 -6.491 -6.306 14.229 1.00 0.00 C ATOM 50 C SER A 6 -5.037 -6.632 14.577 1.00 0.00 C ATOM 51 O SER A 6 -4.773 -7.509 15.398 1.00 0.00 O ATOM 52 CB SER A 6 -6.825 -4.871 14.639 1.00 0.00 C ATOM 53 OG SER A 6 -6.398 -4.581 15.967 1.00 0.00 O ATOM 0 H SER A 6 -8.146 -6.834 15.401 1.00 0.00 H new ATOM 0 HA SER A 6 -6.628 -6.388 13.151 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.350 -4.176 13.946 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.901 -4.713 14.562 1.00 0.00 H new ATOM 0 HG SER A 6 -6.628 -3.655 16.190 1.00 0.00 H new ATOM 59 N GLY A 7 -4.132 -5.909 13.934 1.00 0.00 N ATOM 60 CA GLY A 7 -2.711 -6.110 14.165 1.00 0.00 C ATOM 61 C GLY A 7 -1.874 -5.271 13.197 1.00 0.00 C ATOM 62 O GLY A 7 -2.204 -5.165 12.017 1.00 0.00 O ATOM 0 H GLY A 7 -4.355 -5.183 13.253 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.464 -5.841 15.192 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.465 -7.165 14.044 1.00 0.00 H new ATOM 66 N SER A 8 -0.807 -4.697 13.733 1.00 0.00 N ATOM 67 CA SER A 8 0.079 -3.870 12.932 1.00 0.00 C ATOM 68 C SER A 8 1.318 -4.672 12.527 1.00 0.00 C ATOM 69 O SER A 8 1.763 -5.549 13.265 1.00 0.00 O ATOM 70 CB SER A 8 0.490 -2.607 13.691 1.00 0.00 C ATOM 71 OG SER A 8 0.833 -2.886 15.046 1.00 0.00 O ATOM 0 H SER A 8 -0.536 -4.788 14.712 1.00 0.00 H new ATOM 0 HA SER A 8 -0.458 -3.563 12.034 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.340 -2.143 13.190 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.327 -1.886 13.665 1.00 0.00 H new ATOM 0 HG SER A 8 1.091 -2.055 15.496 1.00 0.00 H new ATOM 77 N VAL A 9 1.839 -4.343 11.354 1.00 0.00 N ATOM 78 CA VAL A 9 3.017 -5.021 10.841 1.00 0.00 C ATOM 79 C VAL A 9 4.158 -4.012 10.695 1.00 0.00 C ATOM 80 O VAL A 9 3.930 -2.804 10.719 1.00 0.00 O ATOM 81 CB VAL A 9 2.681 -5.737 9.532 1.00 0.00 C ATOM 82 CG1 VAL A 9 1.820 -4.851 8.629 1.00 0.00 C ATOM 83 CG2 VAL A 9 3.953 -6.185 8.809 1.00 0.00 C ATOM 0 H VAL A 9 1.467 -3.615 10.744 1.00 0.00 H new ATOM 0 HA VAL A 9 3.350 -5.789 11.539 1.00 0.00 H new ATOM 0 HB VAL A 9 2.104 -6.629 9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.595 -5.383 7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.890 -4.604 9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.361 -3.934 8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.685 -6.691 7.882 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.569 -5.314 8.583 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.513 -6.869 9.447 1.00 0.00 H new ATOM 93 N SER A 10 5.362 -4.546 10.547 1.00 0.00 N ATOM 94 CA SER A 10 6.539 -3.708 10.397 1.00 0.00 C ATOM 95 C SER A 10 7.428 -4.250 9.276 1.00 0.00 C ATOM 96 O SER A 10 7.800 -5.422 9.285 1.00 0.00 O ATOM 97 CB SER A 10 7.327 -3.625 11.706 1.00 0.00 C ATOM 98 OG SER A 10 8.589 -2.987 11.530 1.00 0.00 O ATOM 0 H SER A 10 5.547 -5.549 10.528 1.00 0.00 H new ATOM 0 HA SER A 10 6.211 -2.701 10.138 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.744 -3.077 12.446 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.480 -4.629 12.101 1.00 0.00 H new ATOM 0 HG SER A 10 9.060 -2.952 12.388 1.00 0.00 H new ATOM 104 N LEU A 11 7.743 -3.370 8.336 1.00 0.00 N ATOM 105 CA LEU A 11 8.582 -3.746 7.211 1.00 0.00 C ATOM 106 C LEU A 11 9.923 -3.017 7.314 1.00 0.00 C ATOM 107 O LEU A 11 9.998 -1.923 7.872 1.00 0.00 O ATOM 108 CB LEU A 11 7.848 -3.499 5.891 1.00 0.00 C ATOM 109 CG LEU A 11 6.574 -4.316 5.668 1.00 0.00 C ATOM 110 CD1 LEU A 11 6.137 -4.262 4.203 1.00 0.00 C ATOM 111 CD2 LEU A 11 6.752 -5.754 6.161 1.00 0.00 C ATOM 0 H LEU A 11 7.432 -2.398 8.331 1.00 0.00 H new ATOM 0 HA LEU A 11 8.797 -4.814 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.592 -2.441 5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 11 8.536 -3.706 5.071 1.00 0.00 H new ATOM 0 HG LEU A 11 5.774 -3.870 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.229 -4.851 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.943 -3.228 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.927 -4.669 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.832 -6.313 5.991 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.570 -6.227 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.981 -5.748 7.227 1.00 0.00 H new ATOM 123 N VAL A 12 10.949 -3.654 6.768 1.00 0.00 N ATOM 124 CA VAL A 12 12.284 -3.080 6.792 1.00 0.00 C ATOM 125 C VAL A 12 12.747 -2.817 5.358 1.00 0.00 C ATOM 126 O VAL A 12 13.078 -3.750 4.628 1.00 0.00 O ATOM 127 CB VAL A 12 13.233 -3.995 7.569 1.00 0.00 C ATOM 128 CG1 VAL A 12 13.242 -5.406 6.976 1.00 0.00 C ATOM 129 CG2 VAL A 12 14.646 -3.410 7.612 1.00 0.00 C ATOM 0 H VAL A 12 10.883 -4.561 6.307 1.00 0.00 H new ATOM 0 HA VAL A 12 12.279 -2.122 7.313 1.00 0.00 H new ATOM 0 HB VAL A 12 12.868 -4.064 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.924 -6.036 7.547 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.237 -5.826 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.571 -5.362 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.300 -4.080 8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.024 -3.297 6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.622 -2.436 8.101 1.00 0.00 H new ATOM 139 N GLY A 13 12.756 -1.542 4.997 1.00 0.00 N ATOM 140 CA GLY A 13 13.173 -1.144 3.664 1.00 0.00 C ATOM 141 C GLY A 13 13.165 0.379 3.518 1.00 0.00 C ATOM 142 O GLY A 13 12.460 1.072 4.250 1.00 0.00 O ATOM 0 H GLY A 13 12.481 -0.771 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 13 14.174 -1.527 3.463 1.00 0.00 H new ATOM 0 HA3 GLY A 13 12.507 -1.587 2.923 1.00 0.00 H new ATOM 146 N PRO A 14 13.978 0.867 2.543 1.00 0.00 N ATOM 147 CA PRO A 14 14.071 2.295 2.292 1.00 0.00 C ATOM 148 C PRO A 14 12.828 2.805 1.559 1.00 0.00 C ATOM 149 O PRO A 14 12.672 4.008 1.357 1.00 0.00 O ATOM 150 CB PRO A 14 15.348 2.471 1.487 1.00 0.00 C ATOM 151 CG PRO A 14 15.676 1.098 0.921 1.00 0.00 C ATOM 152 CD PRO A 14 14.826 0.075 1.657 1.00 0.00 C ATOM 0 HA PRO A 14 14.110 2.881 3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.209 3.200 0.688 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.159 2.838 2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.470 1.067 -0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.736 0.876 1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.230 -0.517 0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 14 15.445 -0.623 2.221 1.00 0.00 H new ATOM 160 N ALA A 15 11.975 1.864 1.182 1.00 0.00 N ATOM 161 CA ALA A 15 10.750 2.203 0.477 1.00 0.00 C ATOM 162 C ALA A 15 10.203 0.954 -0.216 1.00 0.00 C ATOM 163 O ALA A 15 9.027 0.625 -0.073 1.00 0.00 O ATOM 164 CB ALA A 15 11.027 3.342 -0.508 1.00 0.00 C ATOM 0 H ALA A 15 12.108 0.867 1.351 1.00 0.00 H new ATOM 0 HA ALA A 15 9.989 2.552 1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.109 3.597 -1.037 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.386 4.215 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.784 3.026 -1.226 1.00 0.00 H new ATOM 170 N PRO A 16 11.107 0.273 -0.971 1.00 0.00 N ATOM 171 CA PRO A 16 10.727 -0.933 -1.686 1.00 0.00 C ATOM 172 C PRO A 16 10.584 -2.117 -0.728 1.00 0.00 C ATOM 173 O PRO A 16 11.473 -2.963 -0.643 1.00 0.00 O ATOM 174 CB PRO A 16 11.819 -1.137 -2.723 1.00 0.00 C ATOM 175 CG PRO A 16 13.003 -0.310 -2.249 1.00 0.00 C ATOM 176 CD PRO A 16 12.509 0.632 -1.163 1.00 0.00 C ATOM 0 HA PRO A 16 9.752 -0.847 -2.166 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.087 -2.190 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.486 -0.814 -3.709 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.791 -0.957 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.431 0.254 -3.078 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.079 0.509 -0.242 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.613 1.674 -1.465 1.00 0.00 H new ATOM 184 N TRP A 17 9.458 -2.140 -0.030 1.00 0.00 N ATOM 185 CA TRP A 17 9.188 -3.206 0.920 1.00 0.00 C ATOM 186 C TRP A 17 8.886 -4.480 0.127 1.00 0.00 C ATOM 187 O TRP A 17 9.045 -5.586 0.640 1.00 0.00 O ATOM 188 CB TRP A 17 8.059 -2.815 1.876 1.00 0.00 C ATOM 189 CG TRP A 17 7.996 -1.319 2.186 1.00 0.00 C ATOM 190 CD1 TRP A 17 7.334 -0.364 1.518 1.00 0.00 C ATOM 191 CD2 TRP A 17 8.650 -0.639 3.279 1.00 0.00 C ATOM 192 NE1 TRP A 17 7.513 0.876 2.096 1.00 0.00 N ATOM 193 CE2 TRP A 17 8.339 0.703 3.201 1.00 0.00 C ATOM 194 CE3 TRP A 17 9.477 -1.141 4.298 1.00 0.00 C ATOM 195 CZ2 TRP A 17 8.812 1.654 4.114 1.00 0.00 C ATOM 196 CZ3 TRP A 17 9.942 -0.178 5.202 1.00 0.00 C ATOM 197 CH2 TRP A 17 9.638 1.176 5.138 1.00 0.00 C ATOM 0 H TRP A 17 8.722 -1.438 -0.103 1.00 0.00 H new ATOM 0 HA TRP A 17 10.056 -3.388 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 17 7.108 -3.127 1.445 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.181 -3.364 2.810 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.735 -0.543 0.637 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.113 1.757 1.772 1.00 0.00 H new ATOM 0 HE3 TRP A 17 9.734 -2.187 4.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.553 2.699 4.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.582 -0.511 6.006 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.037 1.857 5.875 1.00 0.00 H new ATOM 208 N GLY A 18 8.455 -4.280 -1.110 1.00 0.00 N ATOM 209 CA GLY A 18 8.130 -5.399 -1.978 1.00 0.00 C ATOM 210 C GLY A 18 6.632 -5.434 -2.290 1.00 0.00 C ATOM 211 O GLY A 18 6.209 -6.076 -3.249 1.00 0.00 O ATOM 0 H GLY A 18 8.323 -3.360 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.697 -5.321 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.428 -6.333 -1.501 1.00 0.00 H new ATOM 215 N PHE A 19 5.872 -4.735 -1.460 1.00 0.00 N ATOM 216 CA PHE A 19 4.430 -4.677 -1.635 1.00 0.00 C ATOM 217 C PHE A 19 4.001 -3.324 -2.206 1.00 0.00 C ATOM 218 O PHE A 19 4.730 -2.340 -2.095 1.00 0.00 O ATOM 219 CB PHE A 19 3.804 -4.855 -0.250 1.00 0.00 C ATOM 220 CG PHE A 19 3.679 -3.555 0.548 1.00 0.00 C ATOM 221 CD1 PHE A 19 2.736 -2.637 0.207 1.00 0.00 C ATOM 222 CD2 PHE A 19 4.511 -3.319 1.597 1.00 0.00 C ATOM 223 CE1 PHE A 19 2.619 -1.431 0.948 1.00 0.00 C ATOM 224 CE2 PHE A 19 4.394 -2.113 2.338 1.00 0.00 C ATOM 225 CZ PHE A 19 3.451 -1.194 1.997 1.00 0.00 C ATOM 0 H PHE A 19 6.227 -4.204 -0.665 1.00 0.00 H new ATOM 0 HA PHE A 19 4.108 -5.453 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.814 -5.296 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.405 -5.563 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.076 -2.825 -0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.261 -4.048 1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.869 -0.702 0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.054 -1.926 3.172 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.363 -0.276 2.559 1.00 0.00 H new ATOM 235 N ARG A 20 2.819 -3.319 -2.805 1.00 0.00 N ATOM 236 CA ARG A 20 2.283 -2.103 -3.393 1.00 0.00 C ATOM 237 C ARG A 20 0.882 -1.822 -2.847 1.00 0.00 C ATOM 238 O ARG A 20 0.301 -2.658 -2.156 1.00 0.00 O ATOM 239 CB ARG A 20 2.217 -2.212 -4.918 1.00 0.00 C ATOM 240 CG ARG A 20 3.567 -1.871 -5.551 1.00 0.00 C ATOM 241 CD ARG A 20 3.432 -0.711 -6.540 1.00 0.00 C ATOM 242 NE ARG A 20 4.139 0.481 -6.021 1.00 0.00 N ATOM 243 CZ ARG A 20 4.330 1.606 -6.724 1.00 0.00 C ATOM 244 NH1 ARG A 20 3.868 1.698 -7.979 1.00 0.00 N ATOM 245 NH2 ARG A 20 4.983 2.637 -6.173 1.00 0.00 N ATOM 0 H ARG A 20 2.217 -4.138 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 20 2.951 -1.283 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.923 -3.223 -5.202 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.451 -1.538 -5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.282 -1.608 -4.772 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.964 -2.747 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.845 -0.997 -7.507 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.379 -0.479 -6.699 1.00 0.00 H new ATOM 0 HE ARG A 20 4.504 0.444 -5.069 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.371 0.912 -8.399 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.013 2.554 -8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.335 2.566 -5.218 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.128 3.493 -6.708 1.00 0.00 H new ATOM 259 N LEU A 21 0.379 -0.642 -3.178 1.00 0.00 N ATOM 260 CA LEU A 21 -0.944 -0.240 -2.730 1.00 0.00 C ATOM 261 C LEU A 21 -1.852 -0.043 -3.946 1.00 0.00 C ATOM 262 O LEU A 21 -1.369 0.119 -5.065 1.00 0.00 O ATOM 263 CB LEU A 21 -0.852 0.991 -1.826 1.00 0.00 C ATOM 264 CG LEU A 21 -0.191 0.774 -0.463 1.00 0.00 C ATOM 265 CD1 LEU A 21 -0.222 2.056 0.372 1.00 0.00 C ATOM 266 CD2 LEU A 21 -0.829 -0.405 0.274 1.00 0.00 C ATOM 0 H LEU A 21 0.863 0.049 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.394 -1.023 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.299 1.766 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.860 1.373 -1.662 1.00 0.00 H new ATOM 0 HG LEU A 21 0.857 0.522 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.254 1.874 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.314 2.846 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.256 2.362 0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.341 -0.538 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.890 -0.207 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.712 -1.312 -0.319 1.00 0.00 H new ATOM 278 N GLN A 22 -3.151 -0.065 -3.684 1.00 0.00 N ATOM 279 CA GLN A 22 -4.130 0.109 -4.743 1.00 0.00 C ATOM 280 C GLN A 22 -5.432 0.677 -4.173 1.00 0.00 C ATOM 281 O GLN A 22 -5.801 0.376 -3.039 1.00 0.00 O ATOM 282 CB GLN A 22 -4.382 -1.208 -5.478 1.00 0.00 C ATOM 283 CG GLN A 22 -4.769 -2.318 -4.499 1.00 0.00 C ATOM 284 CD GLN A 22 -5.639 -3.375 -5.182 1.00 0.00 C ATOM 285 OE1 GLN A 22 -6.670 -3.084 -5.766 1.00 0.00 O ATOM 286 NE2 GLN A 22 -5.168 -4.614 -5.078 1.00 0.00 N ATOM 0 H GLN A 22 -3.548 -0.201 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.732 0.820 -5.467 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.176 -1.073 -6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -3.487 -1.499 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.869 -2.786 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.307 -1.890 -3.653 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.298 -4.788 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.677 -5.390 -5.501 1.00 0.00 H new ATOM 295 N GLY A 23 -6.093 1.487 -4.987 1.00 0.00 N ATOM 296 CA GLY A 23 -7.345 2.100 -4.578 1.00 0.00 C ATOM 297 C GLY A 23 -7.118 3.522 -4.063 1.00 0.00 C ATOM 298 O GLY A 23 -6.095 4.137 -4.359 1.00 0.00 O ATOM 0 H GLY A 23 -5.785 1.733 -5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.036 2.121 -5.421 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.811 1.497 -3.798 1.00 0.00 H new ATOM 302 N GLY A 24 -8.089 4.003 -3.300 1.00 0.00 N ATOM 303 CA GLY A 24 -8.007 5.342 -2.741 1.00 0.00 C ATOM 304 C GLY A 24 -9.293 6.127 -3.008 1.00 0.00 C ATOM 305 O GLY A 24 -10.169 5.662 -3.736 1.00 0.00 O ATOM 0 H GLY A 24 -8.936 3.490 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.830 5.281 -1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.158 5.870 -3.175 1.00 0.00 H new ATOM 309 N LYS A 25 -9.366 7.304 -2.403 1.00 0.00 N ATOM 310 CA LYS A 25 -10.530 8.158 -2.566 1.00 0.00 C ATOM 311 C LYS A 25 -10.670 8.546 -4.040 1.00 0.00 C ATOM 312 O LYS A 25 -11.758 8.465 -4.606 1.00 0.00 O ATOM 313 CB LYS A 25 -10.452 9.356 -1.619 1.00 0.00 C ATOM 314 CG LYS A 25 -11.850 9.882 -1.283 1.00 0.00 C ATOM 315 CD LYS A 25 -11.857 10.594 0.071 1.00 0.00 C ATOM 316 CE LYS A 25 -11.215 11.978 -0.034 1.00 0.00 C ATOM 317 NZ LYS A 25 -11.707 12.861 1.047 1.00 0.00 N ATOM 0 H LYS A 25 -8.638 7.686 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.438 7.622 -2.290 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.938 9.066 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.862 10.149 -2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.180 10.570 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.560 9.055 -1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.882 10.691 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.318 9.994 0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.130 11.888 0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.444 12.419 -1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.261 13.797 0.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.739 12.961 0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.467 12.447 1.970 1.00 0.00 H new ATOM 331 N ASP A 26 -9.552 8.961 -4.618 1.00 0.00 N ATOM 332 CA ASP A 26 -9.536 9.363 -6.014 1.00 0.00 C ATOM 333 C ASP A 26 -9.864 8.153 -6.892 1.00 0.00 C ATOM 334 O ASP A 26 -10.260 8.308 -8.046 1.00 0.00 O ATOM 335 CB ASP A 26 -8.156 9.883 -6.422 1.00 0.00 C ATOM 336 CG ASP A 26 -7.914 9.959 -7.931 1.00 0.00 C ATOM 337 OD1 ASP A 26 -8.741 10.608 -8.606 1.00 0.00 O ATOM 338 OD2 ASP A 26 -6.907 9.365 -8.374 1.00 0.00 O ATOM 0 H ASP A 26 -8.651 9.027 -4.145 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.273 10.155 -6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.019 10.877 -5.997 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.396 9.239 -5.979 1.00 0.00 H new ATOM 343 N PHE A 27 -9.686 6.975 -6.312 1.00 0.00 N ATOM 344 CA PHE A 27 -9.957 5.740 -7.027 1.00 0.00 C ATOM 345 C PHE A 27 -11.379 5.248 -6.751 1.00 0.00 C ATOM 346 O PHE A 27 -11.984 4.583 -7.590 1.00 0.00 O ATOM 347 CB PHE A 27 -8.961 4.698 -6.514 1.00 0.00 C ATOM 348 CG PHE A 27 -7.548 4.857 -7.078 1.00 0.00 C ATOM 349 CD1 PHE A 27 -6.893 6.042 -6.946 1.00 0.00 C ATOM 350 CD2 PHE A 27 -6.947 3.814 -7.711 1.00 0.00 C ATOM 351 CE1 PHE A 27 -5.581 6.189 -7.469 1.00 0.00 C ATOM 352 CE2 PHE A 27 -5.635 3.962 -8.235 1.00 0.00 C ATOM 353 CZ PHE A 27 -4.980 5.146 -8.103 1.00 0.00 C ATOM 0 H PHE A 27 -9.357 6.850 -5.355 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.859 5.902 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.916 4.758 -5.427 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.331 3.703 -6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.371 6.870 -6.444 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.467 2.873 -7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.060 7.129 -7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.158 3.134 -8.738 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.983 5.259 -8.501 1.00 0.00 H new ATOM 363 N ASN A 28 -11.872 5.594 -5.571 1.00 0.00 N ATOM 364 CA ASN A 28 -13.212 5.196 -5.173 1.00 0.00 C ATOM 365 C ASN A 28 -13.181 3.755 -4.661 1.00 0.00 C ATOM 366 O ASN A 28 -13.903 2.897 -5.166 1.00 0.00 O ATOM 367 CB ASN A 28 -14.179 5.256 -6.358 1.00 0.00 C ATOM 368 CG ASN A 28 -15.588 5.633 -5.898 1.00 0.00 C ATOM 369 OD1 ASN A 28 -16.386 4.797 -5.506 1.00 0.00 O ATOM 370 ND2 ASN A 28 -15.849 6.935 -5.966 1.00 0.00 N ATOM 0 H ASN A 28 -11.367 6.146 -4.877 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.550 5.881 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.823 5.985 -7.086 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -14.203 4.289 -6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -16.762 7.288 -5.680 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -15.136 7.581 -6.304 1.00 0.00 H new ATOM 377 N MET A 29 -12.336 3.533 -3.665 1.00 0.00 N ATOM 378 CA MET A 29 -12.200 2.210 -3.079 1.00 0.00 C ATOM 379 C MET A 29 -11.238 2.233 -1.890 1.00 0.00 C ATOM 380 O MET A 29 -10.511 3.206 -1.694 1.00 0.00 O ATOM 381 CB MET A 29 -11.682 1.234 -4.137 1.00 0.00 C ATOM 382 CG MET A 29 -10.153 1.174 -4.125 1.00 0.00 C ATOM 383 SD MET A 29 -9.577 0.047 -5.384 1.00 0.00 S ATOM 384 CE MET A 29 -9.019 -1.304 -4.360 1.00 0.00 C ATOM 0 H MET A 29 -11.738 4.247 -3.249 1.00 0.00 H new ATOM 0 HA MET A 29 -13.179 1.888 -2.723 1.00 0.00 H new ATOM 0 HB2 MET A 29 -12.090 0.240 -3.951 1.00 0.00 H new ATOM 0 HB3 MET A 29 -12.030 1.542 -5.123 1.00 0.00 H new ATOM 0 HG2 MET A 29 -9.740 2.168 -4.298 1.00 0.00 H new ATOM 0 HG3 MET A 29 -9.801 0.849 -3.146 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.244 -2.250 -4.852 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.943 -1.223 -4.205 1.00 0.00 H new ATOM 0 HE3 MET A 29 -9.528 -1.265 -3.397 1.00 0.00 H new ATOM 394 N PRO A 30 -11.265 1.122 -1.107 1.00 0.00 N ATOM 395 CA PRO A 30 -10.404 1.005 0.058 1.00 0.00 C ATOM 396 C PRO A 30 -8.959 0.721 -0.355 1.00 0.00 C ATOM 397 O PRO A 30 -8.714 0.146 -1.415 1.00 0.00 O ATOM 398 CB PRO A 30 -11.015 -0.111 0.889 1.00 0.00 C ATOM 399 CG PRO A 30 -11.918 -0.888 -0.056 1.00 0.00 C ATOM 400 CD PRO A 30 -12.114 -0.049 -1.308 1.00 0.00 C ATOM 0 HA PRO A 30 -10.349 1.928 0.635 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.241 -0.755 1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.582 0.292 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.471 -1.850 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.877 -1.097 0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.824 -0.599 -2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.158 0.236 -1.434 1.00 0.00 H new ATOM 408 N LEU A 31 -8.039 1.137 0.503 1.00 0.00 N ATOM 409 CA LEU A 31 -6.624 0.934 0.241 1.00 0.00 C ATOM 410 C LEU A 31 -6.273 -0.537 0.474 1.00 0.00 C ATOM 411 O LEU A 31 -6.364 -1.030 1.597 1.00 0.00 O ATOM 412 CB LEU A 31 -5.781 1.906 1.068 1.00 0.00 C ATOM 413 CG LEU A 31 -5.759 3.356 0.581 1.00 0.00 C ATOM 414 CD1 LEU A 31 -5.745 4.331 1.760 1.00 0.00 C ATOM 415 CD2 LEU A 31 -4.589 3.596 -0.375 1.00 0.00 C ATOM 0 H LEU A 31 -8.246 1.614 1.381 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.394 1.156 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.150 1.894 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.756 1.536 1.093 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.676 3.542 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.729 5.355 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.637 4.180 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.858 4.154 2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.597 4.634 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.651 3.386 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.685 2.939 -1.239 1.00 0.00 H new ATOM 427 N THR A 32 -5.878 -1.196 -0.605 1.00 0.00 N ATOM 428 CA THR A 32 -5.512 -2.601 -0.532 1.00 0.00 C ATOM 429 C THR A 32 -4.098 -2.812 -1.076 1.00 0.00 C ATOM 430 O THR A 32 -3.489 -1.886 -1.609 1.00 0.00 O ATOM 431 CB THR A 32 -6.577 -3.406 -1.279 1.00 0.00 C ATOM 432 OG1 THR A 32 -7.091 -2.492 -2.244 1.00 0.00 O ATOM 433 CG2 THR A 32 -7.785 -3.737 -0.399 1.00 0.00 C ATOM 0 H THR A 32 -5.803 -0.784 -1.535 1.00 0.00 H new ATOM 0 HA THR A 32 -5.485 -2.950 0.500 1.00 0.00 H new ATOM 0 HB THR A 32 -6.136 -4.330 -1.654 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.007 -2.242 -2.002 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.511 -4.309 -0.977 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.460 -4.326 0.459 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.246 -2.813 -0.051 1.00 0.00 H new ATOM 441 N ILE A 33 -3.617 -4.037 -0.923 1.00 0.00 N ATOM 442 CA ILE A 33 -2.285 -4.382 -1.392 1.00 0.00 C ATOM 443 C ILE A 33 -2.324 -4.604 -2.906 1.00 0.00 C ATOM 444 O ILE A 33 -2.916 -5.572 -3.380 1.00 0.00 O ATOM 445 CB ILE A 33 -1.734 -5.576 -0.610 1.00 0.00 C ATOM 446 CG1 ILE A 33 -1.615 -5.248 0.880 1.00 0.00 C ATOM 447 CG2 ILE A 33 -0.406 -6.052 -1.200 1.00 0.00 C ATOM 448 CD1 ILE A 33 -0.482 -4.253 1.133 1.00 0.00 C ATOM 0 H ILE A 33 -4.125 -4.803 -0.481 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.592 -3.562 -1.207 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.441 -6.400 -0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.556 -4.833 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.433 -6.163 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.036 -6.901 -0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.556 -6.353 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.322 -5.242 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.419 -4.037 2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.461 -4.681 0.793 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.679 -3.330 0.587 1.00 0.00 H new ATOM 460 N SER A 34 -1.686 -3.690 -3.622 1.00 0.00 N ATOM 461 CA SER A 34 -1.640 -3.773 -5.072 1.00 0.00 C ATOM 462 C SER A 34 -0.997 -5.093 -5.500 1.00 0.00 C ATOM 463 O SER A 34 -1.622 -5.898 -6.189 1.00 0.00 O ATOM 464 CB SER A 34 -0.873 -2.591 -5.667 1.00 0.00 C ATOM 465 OG SER A 34 0.185 -3.017 -6.521 1.00 0.00 O ATOM 0 H SER A 34 -1.197 -2.888 -3.225 1.00 0.00 H new ATOM 0 HA SER A 34 -2.662 -3.735 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.560 -1.959 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.465 -1.981 -4.861 1.00 0.00 H new ATOM 0 HG SER A 34 0.438 -2.283 -7.119 1.00 0.00 H new ATOM 471 N SER A 35 0.245 -5.275 -5.075 1.00 0.00 N ATOM 472 CA SER A 35 0.979 -6.484 -5.406 1.00 0.00 C ATOM 473 C SER A 35 2.071 -6.735 -4.363 1.00 0.00 C ATOM 474 O SER A 35 2.185 -5.994 -3.388 1.00 0.00 O ATOM 475 CB SER A 35 1.593 -6.390 -6.804 1.00 0.00 C ATOM 476 OG SER A 35 1.000 -7.316 -7.711 1.00 0.00 O ATOM 0 H SER A 35 0.761 -4.605 -4.504 1.00 0.00 H new ATOM 0 HA SER A 35 0.280 -7.321 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.469 -5.377 -7.187 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.665 -6.578 -6.743 1.00 0.00 H new ATOM 0 HG SER A 35 1.418 -7.224 -8.593 1.00 0.00 H new ATOM 482 N LEU A 36 2.845 -7.783 -4.604 1.00 0.00 N ATOM 483 CA LEU A 36 3.923 -8.141 -3.698 1.00 0.00 C ATOM 484 C LEU A 36 5.041 -8.825 -4.488 1.00 0.00 C ATOM 485 O LEU A 36 4.812 -9.328 -5.586 1.00 0.00 O ATOM 486 CB LEU A 36 3.389 -8.981 -2.536 1.00 0.00 C ATOM 487 CG LEU A 36 3.581 -8.389 -1.138 1.00 0.00 C ATOM 488 CD1 LEU A 36 2.642 -9.053 -0.128 1.00 0.00 C ATOM 489 CD2 LEU A 36 5.045 -8.475 -0.702 1.00 0.00 C ATOM 0 H LEU A 36 2.747 -8.396 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 36 4.353 -7.248 -3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.324 -9.150 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.874 -9.957 -2.566 1.00 0.00 H new ATOM 0 HG LEU A 36 3.318 -7.332 -1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.799 -8.614 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.608 -8.896 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.850 -10.122 -0.086 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.154 -8.047 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.359 -9.519 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.667 -7.920 -1.404 1.00 0.00 H new ATOM 501 N LYS A 37 6.227 -8.820 -3.897 1.00 0.00 N ATOM 502 CA LYS A 37 7.381 -9.433 -4.532 1.00 0.00 C ATOM 503 C LYS A 37 7.549 -10.860 -4.006 1.00 0.00 C ATOM 504 O LYS A 37 7.268 -11.133 -2.840 1.00 0.00 O ATOM 505 CB LYS A 37 8.623 -8.559 -4.344 1.00 0.00 C ATOM 506 CG LYS A 37 9.835 -9.170 -5.050 1.00 0.00 C ATOM 507 CD LYS A 37 10.531 -8.137 -5.939 1.00 0.00 C ATOM 508 CE LYS A 37 10.984 -8.765 -7.258 1.00 0.00 C ATOM 509 NZ LYS A 37 12.212 -8.103 -7.752 1.00 0.00 N ATOM 0 H LYS A 37 6.413 -8.401 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 37 7.230 -9.505 -5.609 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.433 -7.561 -4.738 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.835 -8.446 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.538 -9.550 -4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.518 -10.020 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.851 -7.309 -6.141 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.392 -7.722 -5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.170 -9.830 -7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.192 -8.676 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.506 -8.541 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.023 -7.092 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.971 -8.210 -7.049 1.00 0.00 H new ATOM 523 N ASP A 38 8.006 -11.733 -4.891 1.00 0.00 N ATOM 524 CA ASP A 38 8.215 -13.125 -4.531 1.00 0.00 C ATOM 525 C ASP A 38 8.978 -13.196 -3.207 1.00 0.00 C ATOM 526 O ASP A 38 10.148 -12.825 -3.140 1.00 0.00 O ATOM 527 CB ASP A 38 9.043 -13.851 -5.593 1.00 0.00 C ATOM 528 CG ASP A 38 8.676 -15.321 -5.806 1.00 0.00 C ATOM 529 OD1 ASP A 38 8.889 -16.103 -4.855 1.00 0.00 O ATOM 530 OD2 ASP A 38 8.191 -15.630 -6.916 1.00 0.00 O ATOM 0 H ASP A 38 8.238 -11.503 -5.857 1.00 0.00 H new ATOM 0 HA ASP A 38 7.238 -13.601 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.933 -13.324 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.095 -13.791 -5.315 1.00 0.00 H new ATOM 535 N GLY A 39 8.283 -13.676 -2.186 1.00 0.00 N ATOM 536 CA GLY A 39 8.880 -13.801 -0.867 1.00 0.00 C ATOM 537 C GLY A 39 9.545 -12.490 -0.440 1.00 0.00 C ATOM 538 O GLY A 39 10.661 -12.496 0.077 1.00 0.00 O ATOM 0 H GLY A 39 7.312 -13.983 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.114 -14.078 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.618 -14.603 -0.873 1.00 0.00 H new ATOM 542 N GLY A 40 8.832 -11.399 -0.673 1.00 0.00 N ATOM 543 CA GLY A 40 9.339 -10.084 -0.319 1.00 0.00 C ATOM 544 C GLY A 40 9.357 -9.893 1.199 1.00 0.00 C ATOM 545 O GLY A 40 9.524 -10.856 1.947 1.00 0.00 O ATOM 0 H GLY A 40 7.907 -11.398 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.346 -9.960 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.718 -9.315 -0.778 1.00 0.00 H new ATOM 549 N LYS A 41 9.184 -8.645 1.609 1.00 0.00 N ATOM 550 CA LYS A 41 9.179 -8.317 3.024 1.00 0.00 C ATOM 551 C LYS A 41 7.764 -8.488 3.578 1.00 0.00 C ATOM 552 O LYS A 41 7.582 -9.019 4.673 1.00 0.00 O ATOM 553 CB LYS A 41 9.764 -6.921 3.252 1.00 0.00 C ATOM 554 CG LYS A 41 11.137 -6.787 2.591 1.00 0.00 C ATOM 555 CD LYS A 41 12.051 -5.870 3.406 1.00 0.00 C ATOM 556 CE LYS A 41 13.438 -6.493 3.580 1.00 0.00 C ATOM 557 NZ LYS A 41 14.434 -5.782 2.747 1.00 0.00 N ATOM 0 H LYS A 41 9.046 -7.849 0.986 1.00 0.00 H new ATOM 0 HA LYS A 41 9.823 -9.002 3.576 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.087 -6.169 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.851 -6.730 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.596 -7.771 2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.022 -6.389 1.583 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.142 -4.905 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.607 -5.683 4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.734 -6.449 4.628 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.408 -7.546 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.378 -6.184 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.186 -5.889 1.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.438 -4.773 2.997 1.00 0.00 H new ATOM 571 N ALA A 42 6.797 -8.029 2.797 1.00 0.00 N ATOM 572 CA ALA A 42 5.403 -8.125 3.196 1.00 0.00 C ATOM 573 C ALA A 42 5.018 -9.599 3.336 1.00 0.00 C ATOM 574 O ALA A 42 4.316 -9.974 4.274 1.00 0.00 O ATOM 575 CB ALA A 42 4.529 -7.388 2.179 1.00 0.00 C ATOM 0 H ALA A 42 6.951 -7.589 1.890 1.00 0.00 H new ATOM 0 HA ALA A 42 5.247 -7.650 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.483 -7.460 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.824 -6.339 2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.657 -7.839 1.195 1.00 0.00 H new ATOM 581 N SER A 43 5.493 -10.395 2.389 1.00 0.00 N ATOM 582 CA SER A 43 5.207 -11.819 2.396 1.00 0.00 C ATOM 583 C SER A 43 5.695 -12.445 3.704 1.00 0.00 C ATOM 584 O SER A 43 4.998 -13.261 4.304 1.00 0.00 O ATOM 585 CB SER A 43 5.857 -12.517 1.199 1.00 0.00 C ATOM 586 OG SER A 43 5.505 -13.896 1.129 1.00 0.00 O ATOM 0 H SER A 43 6.074 -10.080 1.612 1.00 0.00 H new ATOM 0 HA SER A 43 4.128 -11.951 2.318 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.552 -12.018 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.941 -12.423 1.269 1.00 0.00 H new ATOM 0 HG SER A 43 5.938 -14.305 0.351 1.00 0.00 H new ATOM 592 N GLN A 44 6.890 -12.039 4.108 1.00 0.00 N ATOM 593 CA GLN A 44 7.480 -12.549 5.333 1.00 0.00 C ATOM 594 C GLN A 44 6.688 -12.060 6.547 1.00 0.00 C ATOM 595 O GLN A 44 6.726 -12.680 7.609 1.00 0.00 O ATOM 596 CB GLN A 44 8.952 -12.149 5.442 1.00 0.00 C ATOM 597 CG GLN A 44 9.853 -13.184 4.764 1.00 0.00 C ATOM 598 CD GLN A 44 11.317 -12.978 5.157 1.00 0.00 C ATOM 599 OE1 GLN A 44 11.826 -13.576 6.091 1.00 0.00 O ATOM 600 NE2 GLN A 44 11.964 -12.101 4.395 1.00 0.00 N ATOM 0 H GLN A 44 7.466 -11.362 3.608 1.00 0.00 H new ATOM 0 HA GLN A 44 7.435 -13.638 5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.102 -11.173 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.229 -12.052 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.535 -14.188 5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.749 -13.108 3.682 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.478 -11.635 3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.946 -11.894 4.577 1.00 0.00 H new ATOM 609 N ALA A 45 5.988 -10.952 6.350 1.00 0.00 N ATOM 610 CA ALA A 45 5.188 -10.372 7.415 1.00 0.00 C ATOM 611 C ALA A 45 3.782 -10.974 7.377 1.00 0.00 C ATOM 612 O ALA A 45 2.865 -10.459 8.015 1.00 0.00 O ATOM 613 CB ALA A 45 5.175 -8.849 7.272 1.00 0.00 C ATOM 0 H ALA A 45 5.959 -10.441 5.468 1.00 0.00 H new ATOM 0 HA ALA A 45 5.619 -10.604 8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.575 -8.414 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.195 -8.469 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.746 -8.578 6.307 1.00 0.00 H new ATOM 619 N HIS A 46 3.656 -12.056 6.623 1.00 0.00 N ATOM 620 CA HIS A 46 2.378 -12.733 6.493 1.00 0.00 C ATOM 621 C HIS A 46 1.339 -11.765 5.923 1.00 0.00 C ATOM 622 O HIS A 46 0.219 -11.685 6.423 1.00 0.00 O ATOM 623 CB HIS A 46 1.948 -13.344 7.828 1.00 0.00 C ATOM 624 CG HIS A 46 3.006 -14.203 8.479 1.00 0.00 C ATOM 625 ND1 HIS A 46 2.821 -15.549 8.743 1.00 0.00 N ATOM 626 CD2 HIS A 46 4.261 -13.894 8.915 1.00 0.00 C ATOM 627 CE1 HIS A 46 3.921 -16.019 9.313 1.00 0.00 C ATOM 628 NE2 HIS A 46 4.812 -14.991 9.419 1.00 0.00 N ATOM 0 H HIS A 46 4.419 -12.481 6.096 1.00 0.00 H new ATOM 0 HA HIS A 46 2.473 -13.563 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.675 -12.541 8.512 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.053 -13.946 7.669 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.727 -12.921 8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.084 -17.036 9.637 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.748 -15.055 9.820 1.00 0.00 H new ATOM 636 N VAL A 47 1.749 -11.053 4.883 1.00 0.00 N ATOM 637 CA VAL A 47 0.869 -10.093 4.240 1.00 0.00 C ATOM 638 C VAL A 47 0.419 -10.647 2.886 1.00 0.00 C ATOM 639 O VAL A 47 1.249 -10.960 2.033 1.00 0.00 O ATOM 640 CB VAL A 47 1.566 -8.736 4.128 1.00 0.00 C ATOM 641 CG1 VAL A 47 0.690 -7.728 3.381 1.00 0.00 C ATOM 642 CG2 VAL A 47 1.957 -8.205 5.509 1.00 0.00 C ATOM 0 H VAL A 47 2.679 -11.122 4.470 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.026 -9.935 4.841 1.00 0.00 H new ATOM 0 HB VAL A 47 2.480 -8.876 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.210 -6.772 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.485 -8.098 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.249 -7.594 3.918 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.451 -7.239 5.401 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.062 -8.089 6.121 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.637 -8.908 5.990 1.00 0.00 H new ATOM 652 N ARG A 48 -0.892 -10.751 2.732 1.00 0.00 N ATOM 653 CA ARG A 48 -1.462 -11.262 1.496 1.00 0.00 C ATOM 654 C ARG A 48 -2.154 -10.137 0.726 1.00 0.00 C ATOM 655 O ARG A 48 -2.454 -9.086 1.290 1.00 0.00 O ATOM 656 CB ARG A 48 -2.472 -12.377 1.775 1.00 0.00 C ATOM 657 CG ARG A 48 -3.220 -12.123 3.086 1.00 0.00 C ATOM 658 CD ARG A 48 -2.417 -12.637 4.283 1.00 0.00 C ATOM 659 NE ARG A 48 -2.762 -11.861 5.495 1.00 0.00 N ATOM 660 CZ ARG A 48 -2.381 -12.195 6.735 1.00 0.00 C ATOM 661 NH1 ARG A 48 -1.640 -13.293 6.935 1.00 0.00 N ATOM 662 NH2 ARG A 48 -2.741 -11.431 7.775 1.00 0.00 N ATOM 0 H ARG A 48 -1.577 -10.490 3.442 1.00 0.00 H new ATOM 0 HA ARG A 48 -0.646 -11.668 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.184 -12.442 0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.956 -13.336 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.408 -11.055 3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.192 -12.616 3.056 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.628 -13.694 4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.350 -12.552 4.079 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.325 -11.019 5.379 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.366 -13.875 6.143 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.350 -13.547 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.305 -10.595 7.623 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.451 -11.685 8.719 1.00 0.00 H new ATOM 676 N ILE A 49 -2.388 -10.395 -0.553 1.00 0.00 N ATOM 677 CA ILE A 49 -3.040 -9.416 -1.407 1.00 0.00 C ATOM 678 C ILE A 49 -4.511 -9.293 -1.004 1.00 0.00 C ATOM 679 O ILE A 49 -5.189 -10.299 -0.803 1.00 0.00 O ATOM 680 CB ILE A 49 -2.833 -9.770 -2.881 1.00 0.00 C ATOM 681 CG1 ILE A 49 -1.382 -9.532 -3.304 1.00 0.00 C ATOM 682 CG2 ILE A 49 -3.821 -9.012 -3.770 1.00 0.00 C ATOM 683 CD1 ILE A 49 -1.279 -9.323 -4.816 1.00 0.00 C ATOM 0 H ILE A 49 -2.138 -11.268 -1.018 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.590 -8.432 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.035 -10.834 -3.009 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.987 -8.659 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.769 -10.383 -3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.653 -9.281 -4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.840 -9.275 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.675 -7.939 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.237 -9.156 -5.090 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.653 -10.208 -5.332 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.874 -8.456 -5.105 1.00 0.00 H new ATOM 695 N GLY A 50 -4.960 -8.051 -0.898 1.00 0.00 N ATOM 696 CA GLY A 50 -6.338 -7.784 -0.522 1.00 0.00 C ATOM 697 C GLY A 50 -6.414 -7.144 0.865 1.00 0.00 C ATOM 698 O GLY A 50 -7.454 -6.612 1.251 1.00 0.00 O ATOM 0 H GLY A 50 -4.394 -7.219 -1.066 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.798 -7.123 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.907 -8.714 -0.529 1.00 0.00 H new ATOM 702 N ASP A 51 -5.299 -7.216 1.577 1.00 0.00 N ATOM 703 CA ASP A 51 -5.226 -6.651 2.914 1.00 0.00 C ATOM 704 C ASP A 51 -5.508 -5.149 2.843 1.00 0.00 C ATOM 705 O ASP A 51 -4.904 -4.437 2.043 1.00 0.00 O ATOM 706 CB ASP A 51 -3.834 -6.843 3.518 1.00 0.00 C ATOM 707 CG ASP A 51 -3.516 -8.269 3.970 1.00 0.00 C ATOM 708 OD1 ASP A 51 -4.466 -9.080 3.999 1.00 0.00 O ATOM 709 OD2 ASP A 51 -2.329 -8.516 4.276 1.00 0.00 O ATOM 0 H ASP A 51 -4.438 -7.657 1.253 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.962 -7.160 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -3.090 -6.537 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.730 -6.175 4.373 1.00 0.00 H new ATOM 714 N VAL A 52 -6.427 -4.711 3.692 1.00 0.00 N ATOM 715 CA VAL A 52 -6.797 -3.307 3.736 1.00 0.00 C ATOM 716 C VAL A 52 -5.968 -2.599 4.810 1.00 0.00 C ATOM 717 O VAL A 52 -5.913 -3.050 5.953 1.00 0.00 O ATOM 718 CB VAL A 52 -8.305 -3.169 3.956 1.00 0.00 C ATOM 719 CG1 VAL A 52 -8.700 -1.702 4.142 1.00 0.00 C ATOM 720 CG2 VAL A 52 -9.087 -3.807 2.807 1.00 0.00 C ATOM 0 H VAL A 52 -6.926 -5.304 4.355 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.576 -2.824 2.784 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.561 -3.703 4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.777 -1.632 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.182 -1.293 5.009 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.423 -1.135 3.253 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.156 -3.695 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.824 -3.315 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.839 -4.866 2.742 1.00 0.00 H new ATOM 730 N VAL A 53 -5.345 -1.502 4.404 1.00 0.00 N ATOM 731 CA VAL A 53 -4.522 -0.728 5.318 1.00 0.00 C ATOM 732 C VAL A 53 -5.416 0.206 6.135 1.00 0.00 C ATOM 733 O VAL A 53 -5.883 1.225 5.629 1.00 0.00 O ATOM 734 CB VAL A 53 -3.434 0.015 4.540 1.00 0.00 C ATOM 735 CG1 VAL A 53 -2.483 0.745 5.490 1.00 0.00 C ATOM 736 CG2 VAL A 53 -2.666 -0.940 3.623 1.00 0.00 C ATOM 0 H VAL A 53 -5.394 -1.131 3.455 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.010 -1.385 6.021 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.921 0.762 3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.719 1.265 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.044 1.468 6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.007 0.023 6.154 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.899 -0.386 3.082 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.196 -1.720 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.355 -1.394 2.912 1.00 0.00 H new ATOM 746 N LEU A 54 -5.627 -0.174 7.387 1.00 0.00 N ATOM 747 CA LEU A 54 -6.456 0.617 8.280 1.00 0.00 C ATOM 748 C LEU A 54 -5.721 1.909 8.640 1.00 0.00 C ATOM 749 O LEU A 54 -6.342 2.962 8.780 1.00 0.00 O ATOM 750 CB LEU A 54 -6.876 -0.212 9.496 1.00 0.00 C ATOM 751 CG LEU A 54 -7.774 -1.416 9.209 1.00 0.00 C ATOM 752 CD1 LEU A 54 -7.829 -2.359 10.413 1.00 0.00 C ATOM 753 CD2 LEU A 54 -9.169 -0.967 8.769 1.00 0.00 C ATOM 0 H LEU A 54 -5.238 -1.020 7.804 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.383 0.905 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.976 -0.567 9.997 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.394 0.443 10.196 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.340 -1.976 8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.474 -3.207 10.182 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.825 -2.718 10.640 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.227 -1.825 11.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.787 -1.842 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.626 -0.371 9.559 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.089 -0.367 7.863 1.00 0.00 H new ATOM 765 N SER A 55 -4.409 1.787 8.780 1.00 0.00 N ATOM 766 CA SER A 55 -3.583 2.933 9.121 1.00 0.00 C ATOM 767 C SER A 55 -2.235 2.839 8.403 1.00 0.00 C ATOM 768 O SER A 55 -1.860 1.773 7.918 1.00 0.00 O ATOM 769 CB SER A 55 -3.373 3.030 10.634 1.00 0.00 C ATOM 770 OG SER A 55 -3.011 1.775 11.204 1.00 0.00 O ATOM 0 H SER A 55 -3.898 0.912 8.663 1.00 0.00 H new ATOM 0 HA SER A 55 -4.099 3.836 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.594 3.763 10.846 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.287 3.392 11.105 1.00 0.00 H new ATOM 0 HG SER A 55 -2.086 1.560 10.961 1.00 0.00 H new ATOM 776 N ILE A 56 -1.545 3.969 8.359 1.00 0.00 N ATOM 777 CA ILE A 56 -0.247 4.027 7.708 1.00 0.00 C ATOM 778 C ILE A 56 0.721 4.830 8.581 1.00 0.00 C ATOM 779 O ILE A 56 0.820 6.048 8.445 1.00 0.00 O ATOM 780 CB ILE A 56 -0.385 4.569 6.284 1.00 0.00 C ATOM 781 CG1 ILE A 56 -0.968 3.509 5.348 1.00 0.00 C ATOM 782 CG2 ILE A 56 0.950 5.113 5.773 1.00 0.00 C ATOM 783 CD1 ILE A 56 -1.305 4.109 3.982 1.00 0.00 C ATOM 0 H ILE A 56 -1.860 4.851 8.763 1.00 0.00 H new ATOM 0 HA ILE A 56 0.172 3.026 7.604 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.087 5.403 6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.254 2.695 5.225 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.866 3.081 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.824 5.492 4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.287 5.921 6.423 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.692 4.315 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.718 3.334 3.336 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.038 4.907 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.400 4.515 3.529 1.00 0.00 H new ATOM 795 N ASP A 57 1.410 4.114 9.457 1.00 0.00 N ATOM 796 CA ASP A 57 2.366 4.744 10.352 1.00 0.00 C ATOM 797 C ASP A 57 1.611 5.552 11.410 1.00 0.00 C ATOM 798 O ASP A 57 1.922 6.719 11.642 1.00 0.00 O ATOM 799 CB ASP A 57 3.283 5.703 9.590 1.00 0.00 C ATOM 800 CG ASP A 57 4.658 5.922 10.224 1.00 0.00 C ATOM 801 OD1 ASP A 57 4.917 5.269 11.258 1.00 0.00 O ATOM 802 OD2 ASP A 57 5.420 6.737 9.660 1.00 0.00 O ATOM 0 H ASP A 57 1.325 3.103 9.566 1.00 0.00 H new ATOM 0 HA ASP A 57 2.967 3.959 10.812 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.422 5.322 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.783 6.667 9.501 1.00 0.00 H new ATOM 807 N GLY A 58 0.636 4.898 12.023 1.00 0.00 N ATOM 808 CA GLY A 58 -0.165 5.541 13.051 1.00 0.00 C ATOM 809 C GLY A 58 -1.064 6.623 12.449 1.00 0.00 C ATOM 810 O GLY A 58 -1.675 7.404 13.178 1.00 0.00 O ATOM 0 H GLY A 58 0.382 3.930 11.828 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.777 4.796 13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.489 5.983 13.803 1.00 0.00 H new ATOM 814 N ILE A 59 -1.115 6.636 11.125 1.00 0.00 N ATOM 815 CA ILE A 59 -1.929 7.610 10.417 1.00 0.00 C ATOM 816 C ILE A 59 -3.178 6.920 9.866 1.00 0.00 C ATOM 817 O ILE A 59 -3.087 5.845 9.275 1.00 0.00 O ATOM 818 CB ILE A 59 -1.099 8.326 9.350 1.00 0.00 C ATOM 819 CG1 ILE A 59 0.137 8.985 9.966 1.00 0.00 C ATOM 820 CG2 ILE A 59 -1.954 9.327 8.571 1.00 0.00 C ATOM 821 CD1 ILE A 59 -0.229 10.302 10.654 1.00 0.00 C ATOM 0 H ILE A 59 -0.606 5.988 10.524 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.270 8.390 11.098 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.745 7.582 8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.593 8.308 10.688 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.880 9.170 9.190 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.340 9.822 7.819 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.774 8.802 8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.358 10.071 9.257 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.667 10.750 11.083 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.662 10.986 9.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.953 10.110 11.446 1.00 0.00 H new ATOM 833 N SER A 60 -4.314 7.567 10.077 1.00 0.00 N ATOM 834 CA SER A 60 -5.580 7.029 9.608 1.00 0.00 C ATOM 835 C SER A 60 -5.629 7.064 8.079 1.00 0.00 C ATOM 836 O SER A 60 -5.505 8.128 7.475 1.00 0.00 O ATOM 837 CB SER A 60 -6.760 7.806 10.195 1.00 0.00 C ATOM 838 OG SER A 60 -7.568 6.992 11.040 1.00 0.00 O ATOM 0 H SER A 60 -4.385 8.459 10.567 1.00 0.00 H new ATOM 0 HA SER A 60 -5.658 5.995 9.944 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.386 8.658 10.762 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.370 8.205 9.385 1.00 0.00 H new ATOM 0 HG SER A 60 -8.309 7.525 11.396 1.00 0.00 H new ATOM 844 N ALA A 61 -5.810 5.887 7.498 1.00 0.00 N ATOM 845 CA ALA A 61 -5.878 5.770 6.051 1.00 0.00 C ATOM 846 C ALA A 61 -7.336 5.880 5.602 1.00 0.00 C ATOM 847 O ALA A 61 -7.691 5.424 4.516 1.00 0.00 O ATOM 848 CB ALA A 61 -5.231 4.454 5.615 1.00 0.00 C ATOM 0 H ALA A 61 -5.912 5.006 8.003 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.325 6.579 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.282 4.366 4.530 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.188 4.439 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.761 3.619 6.072 1.00 0.00 H new ATOM 854 N GLN A 62 -8.142 6.487 6.460 1.00 0.00 N ATOM 855 CA GLN A 62 -9.554 6.663 6.166 1.00 0.00 C ATOM 856 C GLN A 62 -9.781 7.980 5.422 1.00 0.00 C ATOM 857 O GLN A 62 -9.799 9.047 6.034 1.00 0.00 O ATOM 858 CB GLN A 62 -10.393 6.602 7.444 1.00 0.00 C ATOM 859 CG GLN A 62 -10.231 5.251 8.143 1.00 0.00 C ATOM 860 CD GLN A 62 -11.335 5.034 9.180 1.00 0.00 C ATOM 861 OE1 GLN A 62 -12.514 5.205 8.914 1.00 0.00 O ATOM 862 NE2 GLN A 62 -10.889 4.650 10.372 1.00 0.00 N ATOM 0 H GLN A 62 -7.844 6.864 7.360 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.875 5.845 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.092 7.403 8.119 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.443 6.767 7.202 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.258 4.450 7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.256 5.203 8.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.888 4.526 10.526 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.547 4.480 11.132 1.00 0.00 H new ATOM 871 N GLY A 63 -9.949 7.863 4.113 1.00 0.00 N ATOM 872 CA GLY A 63 -10.174 9.032 3.280 1.00 0.00 C ATOM 873 C GLY A 63 -8.934 9.358 2.446 1.00 0.00 C ATOM 874 O GLY A 63 -9.044 9.696 1.269 1.00 0.00 O ATOM 0 H GLY A 63 -9.934 6.976 3.609 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.024 8.855 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.430 9.886 3.907 1.00 0.00 H new ATOM 878 N MET A 64 -7.781 9.245 3.089 1.00 0.00 N ATOM 879 CA MET A 64 -6.521 9.524 2.422 1.00 0.00 C ATOM 880 C MET A 64 -6.473 8.863 1.043 1.00 0.00 C ATOM 881 O MET A 64 -6.796 7.684 0.904 1.00 0.00 O ATOM 882 CB MET A 64 -5.364 9.005 3.278 1.00 0.00 C ATOM 883 CG MET A 64 -5.132 9.907 4.492 1.00 0.00 C ATOM 884 SD MET A 64 -3.389 9.989 4.868 1.00 0.00 S ATOM 885 CE MET A 64 -3.096 8.294 5.347 1.00 0.00 C ATOM 0 H MET A 64 -7.693 8.964 4.066 1.00 0.00 H new ATOM 0 HA MET A 64 -6.432 10.602 2.291 1.00 0.00 H new ATOM 0 HB2 MET A 64 -5.580 7.990 3.611 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.456 8.957 2.677 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.516 10.907 4.291 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.680 9.522 5.352 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.037 8.155 5.565 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.683 8.060 6.235 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.389 7.630 4.534 1.00 0.00 H new ATOM 895 N THR A 65 -6.066 9.651 0.058 1.00 0.00 N ATOM 896 CA THR A 65 -5.972 9.156 -1.305 1.00 0.00 C ATOM 897 C THR A 65 -4.750 8.248 -1.460 1.00 0.00 C ATOM 898 O THR A 65 -3.925 8.153 -0.553 1.00 0.00 O ATOM 899 CB THR A 65 -5.955 10.363 -2.245 1.00 0.00 C ATOM 900 OG1 THR A 65 -5.139 11.317 -1.572 1.00 0.00 O ATOM 901 CG2 THR A 65 -7.321 11.046 -2.346 1.00 0.00 C ATOM 0 H THR A 65 -5.798 10.628 0.177 1.00 0.00 H new ATOM 0 HA THR A 65 -6.832 8.537 -1.562 1.00 0.00 H new ATOM 0 HB THR A 65 -5.634 10.045 -3.237 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.073 12.131 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.254 11.896 -3.025 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.056 10.336 -2.725 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.628 11.393 -1.359 1.00 0.00 H new ATOM 909 N HIS A 66 -4.673 7.605 -2.615 1.00 0.00 N ATOM 910 CA HIS A 66 -3.566 6.708 -2.900 1.00 0.00 C ATOM 911 C HIS A 66 -2.242 7.450 -2.707 1.00 0.00 C ATOM 912 O HIS A 66 -1.396 7.023 -1.923 1.00 0.00 O ATOM 913 CB HIS A 66 -3.706 6.099 -4.297 1.00 0.00 C ATOM 914 CG HIS A 66 -3.018 4.764 -4.456 1.00 0.00 C ATOM 915 ND1 HIS A 66 -2.300 4.421 -5.589 1.00 0.00 N ATOM 916 CD2 HIS A 66 -2.946 3.693 -3.615 1.00 0.00 C ATOM 917 CE1 HIS A 66 -1.822 3.197 -5.426 1.00 0.00 C ATOM 918 NE2 HIS A 66 -2.224 2.746 -4.203 1.00 0.00 N ATOM 0 H HIS A 66 -5.359 7.687 -3.365 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.580 5.873 -2.200 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -4.765 5.980 -4.526 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -3.298 6.796 -5.029 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -2.163 5.011 -6.410 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -3.399 3.626 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -1.219 2.651 -6.137 1.00 0.00 H new ATOM 926 N LEU A 67 -2.104 8.548 -3.436 1.00 0.00 N ATOM 927 CA LEU A 67 -0.897 9.353 -3.354 1.00 0.00 C ATOM 928 C LEU A 67 -0.558 9.609 -1.884 1.00 0.00 C ATOM 929 O LEU A 67 0.573 9.385 -1.456 1.00 0.00 O ATOM 930 CB LEU A 67 -1.049 10.631 -4.182 1.00 0.00 C ATOM 931 CG LEU A 67 -0.525 11.915 -3.536 1.00 0.00 C ATOM 932 CD1 LEU A 67 -1.493 12.425 -2.467 1.00 0.00 C ATOM 933 CD2 LEU A 67 0.887 11.713 -2.982 1.00 0.00 C ATOM 0 H LEU A 67 -2.808 8.899 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.052 8.818 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.533 10.489 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.106 10.768 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.462 12.684 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.097 13.338 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.461 12.633 -2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.612 11.667 -1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.236 12.641 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.873 10.924 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.559 11.430 -3.792 1.00 0.00 H new ATOM 945 N GLU A 68 -1.559 10.076 -1.152 1.00 0.00 N ATOM 946 CA GLU A 68 -1.381 10.365 0.261 1.00 0.00 C ATOM 947 C GLU A 68 -0.724 9.178 0.967 1.00 0.00 C ATOM 948 O GLU A 68 0.399 9.286 1.456 1.00 0.00 O ATOM 949 CB GLU A 68 -2.715 10.725 0.919 1.00 0.00 C ATOM 950 CG GLU A 68 -3.048 12.203 0.710 1.00 0.00 C ATOM 951 CD GLU A 68 -3.291 12.905 2.047 1.00 0.00 C ATOM 952 OE1 GLU A 68 -2.288 13.356 2.642 1.00 0.00 O ATOM 953 OE2 GLU A 68 -4.474 12.975 2.445 1.00 0.00 O ATOM 0 H GLU A 68 -2.496 10.261 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.722 11.228 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.509 10.107 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.669 10.506 1.986 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.230 12.693 0.182 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.934 12.294 0.081 1.00 0.00 H new ATOM 960 N ALA A 69 -1.452 8.071 0.998 1.00 0.00 N ATOM 961 CA ALA A 69 -0.954 6.865 1.636 1.00 0.00 C ATOM 962 C ALA A 69 0.472 6.591 1.155 1.00 0.00 C ATOM 963 O ALA A 69 1.321 6.159 1.934 1.00 0.00 O ATOM 964 CB ALA A 69 -1.903 5.701 1.340 1.00 0.00 C ATOM 0 H ALA A 69 -2.383 7.985 0.591 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.919 6.990 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.529 4.796 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.895 5.933 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.961 5.544 0.263 1.00 0.00 H new ATOM 970 N GLN A 70 0.692 6.853 -0.125 1.00 0.00 N ATOM 971 CA GLN A 70 2.001 6.640 -0.718 1.00 0.00 C ATOM 972 C GLN A 70 3.006 7.651 -0.164 1.00 0.00 C ATOM 973 O GLN A 70 4.171 7.320 0.051 1.00 0.00 O ATOM 974 CB GLN A 70 1.930 6.717 -2.244 1.00 0.00 C ATOM 975 CG GLN A 70 0.987 5.650 -2.804 1.00 0.00 C ATOM 976 CD GLN A 70 1.700 4.777 -3.839 1.00 0.00 C ATOM 977 OE1 GLN A 70 2.744 4.199 -3.588 1.00 0.00 O ATOM 978 NE2 GLN A 70 1.079 4.715 -5.014 1.00 0.00 N ATOM 0 H GLN A 70 -0.014 7.211 -0.768 1.00 0.00 H new ATOM 0 HA GLN A 70 2.340 5.639 -0.453 1.00 0.00 H new ATOM 0 HB2 GLN A 70 1.586 7.706 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.927 6.584 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.614 5.026 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.121 6.129 -3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.207 5.224 -5.157 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.475 4.158 -5.771 1.00 0.00 H new ATOM 987 N ASN A 71 2.519 8.865 0.051 1.00 0.00 N ATOM 988 CA ASN A 71 3.360 9.927 0.576 1.00 0.00 C ATOM 989 C ASN A 71 3.929 9.498 1.930 1.00 0.00 C ATOM 990 O ASN A 71 5.129 9.623 2.170 1.00 0.00 O ATOM 991 CB ASN A 71 2.557 11.212 0.787 1.00 0.00 C ATOM 992 CG ASN A 71 3.015 12.308 -0.178 1.00 0.00 C ATOM 993 OD1 ASN A 71 4.191 12.471 -0.460 1.00 0.00 O ATOM 994 ND2 ASN A 71 2.024 13.049 -0.665 1.00 0.00 N ATOM 0 H ASN A 71 1.552 9.136 -0.129 1.00 0.00 H new ATOM 0 HA ASN A 71 4.157 10.114 -0.144 1.00 0.00 H new ATOM 0 HB2 ASN A 71 1.496 11.011 0.638 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.675 11.555 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.227 13.807 -1.316 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.061 12.859 -0.387 1.00 0.00 H new ATOM 1001 N LYS A 72 3.042 9.002 2.779 1.00 0.00 N ATOM 1002 CA LYS A 72 3.441 8.555 4.103 1.00 0.00 C ATOM 1003 C LYS A 72 4.509 7.467 3.968 1.00 0.00 C ATOM 1004 O LYS A 72 5.554 7.535 4.614 1.00 0.00 O ATOM 1005 CB LYS A 72 2.218 8.119 4.913 1.00 0.00 C ATOM 1006 CG LYS A 72 1.426 9.332 5.405 1.00 0.00 C ATOM 1007 CD LYS A 72 2.163 10.043 6.541 1.00 0.00 C ATOM 1008 CE LYS A 72 1.196 10.873 7.388 1.00 0.00 C ATOM 1009 NZ LYS A 72 0.798 12.102 6.665 1.00 0.00 N ATOM 0 H LYS A 72 2.048 8.900 2.576 1.00 0.00 H new ATOM 0 HA LYS A 72 3.889 9.376 4.663 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.577 7.486 4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.537 7.518 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.266 10.026 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.442 9.013 5.748 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.664 9.308 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.937 10.690 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.312 10.282 7.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.667 11.137 8.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.142 12.654 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.643 12.673 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.330 11.844 5.773 1.00 0.00 H new ATOM 1023 N ILE A 73 4.210 6.490 3.126 1.00 0.00 N ATOM 1024 CA ILE A 73 5.131 5.390 2.898 1.00 0.00 C ATOM 1025 C ILE A 73 6.523 5.949 2.599 1.00 0.00 C ATOM 1026 O ILE A 73 7.523 5.436 3.098 1.00 0.00 O ATOM 1027 CB ILE A 73 4.595 4.459 1.808 1.00 0.00 C ATOM 1028 CG1 ILE A 73 3.477 3.566 2.351 1.00 0.00 C ATOM 1029 CG2 ILE A 73 5.726 3.642 1.180 1.00 0.00 C ATOM 1030 CD1 ILE A 73 2.378 3.366 1.305 1.00 0.00 C ATOM 0 H ILE A 73 3.342 6.437 2.593 1.00 0.00 H new ATOM 0 HA ILE A 73 5.220 4.776 3.794 1.00 0.00 H new ATOM 0 HB ILE A 73 4.163 5.072 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.888 2.599 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.052 4.015 3.249 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.318 2.989 0.409 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.458 4.316 0.735 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.209 3.038 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.596 2.728 1.716 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.953 4.333 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.801 2.895 0.418 1.00 0.00 H new ATOM 1042 N LYS A 74 6.543 6.995 1.785 1.00 0.00 N ATOM 1043 CA LYS A 74 7.796 7.629 1.413 1.00 0.00 C ATOM 1044 C LYS A 74 8.449 8.228 2.660 1.00 0.00 C ATOM 1045 O LYS A 74 9.671 8.196 2.801 1.00 0.00 O ATOM 1046 CB LYS A 74 7.570 8.644 0.290 1.00 0.00 C ATOM 1047 CG LYS A 74 7.426 7.943 -1.062 1.00 0.00 C ATOM 1048 CD LYS A 74 6.905 8.909 -2.128 1.00 0.00 C ATOM 1049 CE LYS A 74 7.962 9.955 -2.485 1.00 0.00 C ATOM 1050 NZ LYS A 74 9.067 9.334 -3.250 1.00 0.00 N ATOM 0 H LYS A 74 5.712 7.419 1.373 1.00 0.00 H new ATOM 0 HA LYS A 74 8.491 6.892 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.674 9.228 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.405 9.344 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 74 8.390 7.540 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.744 7.098 -0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.623 8.352 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.005 9.406 -1.765 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.509 10.753 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.353 10.411 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.639 10.077 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.666 8.779 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.674 8.709 -3.983 1.00 0.00 H new ATOM 1064 N ALA A 75 7.607 8.759 3.534 1.00 0.00 N ATOM 1065 CA ALA A 75 8.087 9.363 4.765 1.00 0.00 C ATOM 1066 C ALA A 75 8.909 8.336 5.545 1.00 0.00 C ATOM 1067 O ALA A 75 10.007 8.637 6.010 1.00 0.00 O ATOM 1068 CB ALA A 75 6.900 9.894 5.570 1.00 0.00 C ATOM 0 H ALA A 75 6.594 8.783 3.414 1.00 0.00 H new ATOM 0 HA ALA A 75 8.738 10.210 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.260 10.347 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 75 6.367 10.642 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.225 9.072 5.808 1.00 0.00 H new ATOM 1074 N CYS A 76 8.345 7.143 5.666 1.00 0.00 N ATOM 1075 CA CYS A 76 9.012 6.069 6.383 1.00 0.00 C ATOM 1076 C CYS A 76 10.360 5.805 5.708 1.00 0.00 C ATOM 1077 O CYS A 76 10.408 5.339 4.570 1.00 0.00 O ATOM 1078 CB CYS A 76 8.148 4.808 6.444 1.00 0.00 C ATOM 1079 SG CYS A 76 6.546 5.185 7.243 1.00 0.00 S ATOM 0 H CYS A 76 7.434 6.896 5.280 1.00 0.00 H new ATOM 0 HA CYS A 76 9.177 6.367 7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 76 7.980 4.423 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 76 8.667 4.028 7.001 1.00 0.00 H new ATOM 0 HG CYS A 76 6.743 5.965 8.264 1.00 0.00 H new ATOM 1085 N THR A 77 11.422 6.115 6.437 1.00 0.00 N ATOM 1086 CA THR A 77 12.766 5.917 5.923 1.00 0.00 C ATOM 1087 C THR A 77 13.434 4.730 6.619 1.00 0.00 C ATOM 1088 O THR A 77 14.455 4.226 6.153 1.00 0.00 O ATOM 1089 CB THR A 77 13.534 7.230 6.090 1.00 0.00 C ATOM 1090 OG1 THR A 77 14.802 6.969 5.495 1.00 0.00 O ATOM 1091 CG2 THR A 77 13.864 7.533 7.553 1.00 0.00 C ATOM 0 H THR A 77 11.379 6.502 7.380 1.00 0.00 H new ATOM 0 HA THR A 77 12.751 5.665 4.863 1.00 0.00 H new ATOM 0 HB THR A 77 12.948 8.049 5.673 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.004 6.013 5.563 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.409 8.475 7.616 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.940 7.610 8.126 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.479 6.731 7.961 1.00 0.00 H new ATOM 1099 N GLY A 78 12.830 4.316 7.724 1.00 0.00 N ATOM 1100 CA GLY A 78 13.354 3.197 8.488 1.00 0.00 C ATOM 1101 C GLY A 78 12.494 1.947 8.290 1.00 0.00 C ATOM 1102 O GLY A 78 12.920 0.993 7.642 1.00 0.00 O ATOM 0 H GLY A 78 11.983 4.736 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 78 14.379 2.990 8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.385 3.457 9.546 1.00 0.00 H new ATOM 1106 N SER A 79 11.299 1.994 8.860 1.00 0.00 N ATOM 1107 CA SER A 79 10.376 0.877 8.754 1.00 0.00 C ATOM 1108 C SER A 79 8.960 1.392 8.486 1.00 0.00 C ATOM 1109 O SER A 79 8.671 2.567 8.707 1.00 0.00 O ATOM 1110 CB SER A 79 10.398 0.021 10.022 1.00 0.00 C ATOM 1111 OG SER A 79 10.679 0.796 11.184 1.00 0.00 O ATOM 0 H SER A 79 10.949 2.788 9.396 1.00 0.00 H new ATOM 0 HA SER A 79 10.692 0.250 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.435 -0.475 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.149 -0.762 9.918 1.00 0.00 H new ATOM 0 HG SER A 79 10.683 0.214 11.972 1.00 0.00 H new ATOM 1117 N LEU A 80 8.115 0.487 8.015 1.00 0.00 N ATOM 1118 CA LEU A 80 6.736 0.836 7.715 1.00 0.00 C ATOM 1119 C LEU A 80 5.809 0.131 8.707 1.00 0.00 C ATOM 1120 O LEU A 80 5.727 -1.096 8.721 1.00 0.00 O ATOM 1121 CB LEU A 80 6.414 0.533 6.250 1.00 0.00 C ATOM 1122 CG LEU A 80 5.222 1.287 5.656 1.00 0.00 C ATOM 1123 CD1 LEU A 80 5.371 2.796 5.861 1.00 0.00 C ATOM 1124 CD2 LEU A 80 5.024 0.926 4.183 1.00 0.00 C ATOM 0 H LEU A 80 8.358 -0.487 7.834 1.00 0.00 H new ATOM 0 HA LEU A 80 6.578 1.908 7.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.296 0.758 5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 80 6.227 -0.536 6.153 1.00 0.00 H new ATOM 0 HG LEU A 80 4.322 0.977 6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.511 3.308 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.427 3.015 6.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.282 3.141 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.171 1.475 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.920 1.189 3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.840 -0.145 4.092 1.00 0.00 H new ATOM 1136 N ASN A 81 5.135 0.937 9.513 1.00 0.00 N ATOM 1137 CA ASN A 81 4.217 0.406 10.506 1.00 0.00 C ATOM 1138 C ASN A 81 2.781 0.741 10.098 1.00 0.00 C ATOM 1139 O ASN A 81 2.344 1.883 10.229 1.00 0.00 O ATOM 1140 CB ASN A 81 4.473 1.026 11.881 1.00 0.00 C ATOM 1141 CG ASN A 81 5.288 0.081 12.766 1.00 0.00 C ATOM 1142 OD1 ASN A 81 4.783 -0.537 13.689 1.00 0.00 O ATOM 1143 ND2 ASN A 81 6.573 0.002 12.434 1.00 0.00 N ATOM 0 H ASN A 81 5.206 1.954 9.499 1.00 0.00 H new ATOM 0 HA ASN A 81 4.369 -0.672 10.562 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.005 1.970 11.765 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.523 1.253 12.364 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.200 -0.603 12.964 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.931 0.547 11.650 1.00 0.00 H new ATOM 1150 N MET A 82 2.086 -0.277 9.610 1.00 0.00 N ATOM 1151 CA MET A 82 0.708 -0.105 9.182 1.00 0.00 C ATOM 1152 C MET A 82 -0.177 -1.234 9.713 1.00 0.00 C ATOM 1153 O MET A 82 0.297 -2.349 9.929 1.00 0.00 O ATOM 1154 CB MET A 82 0.647 -0.085 7.653 1.00 0.00 C ATOM 1155 CG MET A 82 1.795 0.742 7.069 1.00 0.00 C ATOM 1156 SD MET A 82 1.801 0.606 5.290 1.00 0.00 S ATOM 1157 CE MET A 82 2.450 -1.047 5.107 1.00 0.00 C ATOM 0 H MET A 82 2.452 -1.223 9.502 1.00 0.00 H new ATOM 0 HA MET A 82 0.339 0.839 9.582 1.00 0.00 H new ATOM 0 HB2 MET A 82 0.697 -1.104 7.270 1.00 0.00 H new ATOM 0 HB3 MET A 82 -0.307 0.331 7.329 1.00 0.00 H new ATOM 0 HG2 MET A 82 1.687 1.786 7.362 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.746 0.394 7.472 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.933 -1.553 4.292 1.00 0.00 H new ATOM 0 HE2 MET A 82 3.516 -0.997 4.885 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.298 -1.602 6.033 1.00 0.00 H new ATOM 1167 N THR A 83 -1.445 -0.907 9.910 1.00 0.00 N ATOM 1168 CA THR A 83 -2.400 -1.880 10.412 1.00 0.00 C ATOM 1169 C THR A 83 -3.197 -2.491 9.258 1.00 0.00 C ATOM 1170 O THR A 83 -3.490 -1.813 8.274 1.00 0.00 O ATOM 1171 CB THR A 83 -3.278 -1.186 11.456 1.00 0.00 C ATOM 1172 OG1 THR A 83 -2.376 -0.333 12.156 1.00 0.00 O ATOM 1173 CG2 THR A 83 -3.787 -2.151 12.528 1.00 0.00 C ATOM 0 H THR A 83 -1.834 0.019 9.731 1.00 0.00 H new ATOM 0 HA THR A 83 -1.895 -2.716 10.895 1.00 0.00 H new ATOM 0 HB THR A 83 -4.127 -0.714 10.961 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.715 0.586 12.138 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.404 -1.608 13.243 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.381 -2.936 12.059 1.00 0.00 H new ATOM 0 HG23 THR A 83 -2.939 -2.598 13.047 1.00 0.00 H new ATOM 1181 N LEU A 84 -3.524 -3.765 9.416 1.00 0.00 N ATOM 1182 CA LEU A 84 -4.281 -4.475 8.399 1.00 0.00 C ATOM 1183 C LEU A 84 -5.657 -4.844 8.958 1.00 0.00 C ATOM 1184 O LEU A 84 -5.863 -4.829 10.170 1.00 0.00 O ATOM 1185 CB LEU A 84 -3.487 -5.674 7.879 1.00 0.00 C ATOM 1186 CG LEU A 84 -2.104 -5.364 7.303 1.00 0.00 C ATOM 1187 CD1 LEU A 84 -1.515 -6.589 6.600 1.00 0.00 C ATOM 1188 CD2 LEU A 84 -2.155 -4.144 6.381 1.00 0.00 C ATOM 0 H LEU A 84 -3.279 -4.324 10.233 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.449 -3.834 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.367 -6.387 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.077 -6.169 7.108 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.438 -5.116 8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.532 -6.341 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.420 -7.408 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.173 -6.892 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.159 -3.945 5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.841 -4.339 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.501 -3.277 6.944 1.00 0.00 H new ATOM 1200 N GLN A 85 -6.563 -5.166 8.047 1.00 0.00 N ATOM 1201 CA GLN A 85 -7.914 -5.538 8.433 1.00 0.00 C ATOM 1202 C GLN A 85 -8.165 -7.016 8.129 1.00 0.00 C ATOM 1203 O GLN A 85 -7.914 -7.475 7.015 1.00 0.00 O ATOM 1204 CB GLN A 85 -8.948 -4.651 7.737 1.00 0.00 C ATOM 1205 CG GLN A 85 -10.345 -5.269 7.820 1.00 0.00 C ATOM 1206 CD GLN A 85 -11.367 -4.420 7.062 1.00 0.00 C ATOM 1207 OE1 GLN A 85 -11.123 -3.276 6.711 1.00 0.00 O ATOM 1208 NE2 GLN A 85 -12.520 -5.040 6.829 1.00 0.00 N ATOM 0 H GLN A 85 -6.388 -5.177 7.042 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.019 -5.386 9.507 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -8.955 -3.664 8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.669 -4.512 6.692 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -10.326 -6.277 7.406 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.645 -5.359 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.658 -5.998 7.150 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -13.267 -4.557 6.329 1.00 0.00 H new ATOM 1217 N ARG A 86 -8.656 -7.721 9.138 1.00 0.00 N ATOM 1218 CA ARG A 86 -8.943 -9.137 8.991 1.00 0.00 C ATOM 1219 C ARG A 86 -10.300 -9.336 8.312 1.00 0.00 C ATOM 1220 O ARG A 86 -11.180 -8.484 8.414 1.00 0.00 O ATOM 1221 CB ARG A 86 -8.954 -9.840 10.350 1.00 0.00 C ATOM 1222 CG ARG A 86 -10.305 -9.667 11.047 1.00 0.00 C ATOM 1223 CD ARG A 86 -10.584 -8.193 11.343 1.00 0.00 C ATOM 1224 NE ARG A 86 -11.709 -8.072 12.298 1.00 0.00 N ATOM 1225 CZ ARG A 86 -13.001 -8.118 11.946 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -13.340 -8.281 10.660 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -13.954 -8.000 12.880 1.00 0.00 N ATOM 0 H ARG A 86 -8.862 -7.337 10.060 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.157 -9.572 8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -8.743 -10.901 10.216 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.162 -9.435 10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.098 -10.072 10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.314 -10.236 11.976 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.693 -7.722 11.757 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -10.823 -7.667 10.419 1.00 0.00 H new ATOM 0 HE ARG A 86 -11.487 -7.946 13.285 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.614 -8.370 9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -14.324 -8.316 10.392 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.696 -7.875 13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.938 -8.035 12.612 1.00 0.00 H new ATOM 1241 N ALA A 87 -10.425 -10.467 7.632 1.00 0.00 N ATOM 1242 CA ALA A 87 -11.659 -10.789 6.936 1.00 0.00 C ATOM 1243 C ALA A 87 -12.520 -11.690 7.823 1.00 0.00 C ATOM 1244 O ALA A 87 -12.420 -12.914 7.753 1.00 0.00 O ATOM 1245 CB ALA A 87 -11.331 -11.437 5.589 1.00 0.00 C ATOM 0 H ALA A 87 -9.692 -11.171 7.549 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.232 -9.884 6.732 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.257 -11.679 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.744 -10.745 4.986 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.759 -12.350 5.754 1.00 0.00 H new ATOM 1251 N SER A 88 -13.346 -11.050 8.637 1.00 0.00 N ATOM 1252 CA SER A 88 -14.224 -11.779 9.537 1.00 0.00 C ATOM 1253 C SER A 88 -15.474 -10.949 9.834 1.00 0.00 C ATOM 1254 O SER A 88 -15.534 -10.251 10.846 1.00 0.00 O ATOM 1255 CB SER A 88 -13.504 -12.139 10.838 1.00 0.00 C ATOM 1256 OG SER A 88 -14.240 -13.082 11.612 1.00 0.00 O ATOM 0 H SER A 88 -13.426 -10.035 8.692 1.00 0.00 H new ATOM 0 HA SER A 88 -14.520 -12.708 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.521 -12.549 10.607 1.00 0.00 H new ATOM 0 HB3 SER A 88 -13.343 -11.235 11.425 1.00 0.00 H new ATOM 0 HG SER A 88 -13.643 -13.511 12.260 1.00 0.00 H new ATOM 1262 N ALA A 89 -16.442 -11.051 8.935 1.00 0.00 N ATOM 1263 CA ALA A 89 -17.687 -10.318 9.089 1.00 0.00 C ATOM 1264 C ALA A 89 -18.678 -10.774 8.016 1.00 0.00 C ATOM 1265 O ALA A 89 -18.548 -10.406 6.849 1.00 0.00 O ATOM 1266 CB ALA A 89 -17.407 -8.816 9.023 1.00 0.00 C ATOM 0 H ALA A 89 -16.389 -11.630 8.097 1.00 0.00 H new ATOM 0 HA ALA A 89 -18.135 -10.523 10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -18.341 -8.266 9.139 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -16.721 -8.538 9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.959 -8.571 8.060 1.00 0.00 H new ATOM 1272 N ALA A 90 -19.646 -11.569 8.449 1.00 0.00 N ATOM 1273 CA ALA A 90 -20.658 -12.079 7.540 1.00 0.00 C ATOM 1274 C ALA A 90 -19.977 -12.833 6.396 1.00 0.00 C ATOM 1275 O ALA A 90 -18.752 -12.825 6.285 1.00 0.00 O ATOM 1276 CB ALA A 90 -21.526 -10.922 7.041 1.00 0.00 C ATOM 0 H ALA A 90 -19.751 -11.872 9.417 1.00 0.00 H new ATOM 0 HA ALA A 90 -21.315 -12.782 8.053 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -22.285 -11.305 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -22.011 -10.439 7.889 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -20.901 -10.197 6.519 1.00 0.00 H new ATOM 1282 N ALA A 91 -20.801 -13.466 5.574 1.00 0.00 N ATOM 1283 CA ALA A 91 -20.293 -14.223 4.442 1.00 0.00 C ATOM 1284 C ALA A 91 -19.425 -15.374 4.953 1.00 0.00 C ATOM 1285 O ALA A 91 -18.395 -15.147 5.584 1.00 0.00 O ATOM 1286 CB ALA A 91 -19.528 -13.287 3.504 1.00 0.00 C ATOM 0 H ALA A 91 -21.817 -13.470 5.669 1.00 0.00 H new ATOM 0 HA ALA A 91 -21.113 -14.657 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -19.147 -13.855 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -20.197 -12.504 3.146 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -18.695 -12.835 4.042 1.00 0.00 H new ATOM 1292 N LYS A 92 -19.874 -16.586 4.660 1.00 0.00 N ATOM 1293 CA LYS A 92 -19.151 -17.774 5.081 1.00 0.00 C ATOM 1294 C LYS A 92 -18.786 -18.607 3.851 1.00 0.00 C ATOM 1295 O LYS A 92 -19.359 -18.421 2.779 1.00 0.00 O ATOM 1296 CB LYS A 92 -19.954 -18.546 6.130 1.00 0.00 C ATOM 1297 CG LYS A 92 -19.823 -17.896 7.509 1.00 0.00 C ATOM 1298 CD LYS A 92 -20.839 -16.765 7.681 1.00 0.00 C ATOM 1299 CE LYS A 92 -22.069 -17.247 8.453 1.00 0.00 C ATOM 1300 NZ LYS A 92 -23.305 -16.694 7.855 1.00 0.00 N ATOM 0 H LYS A 92 -20.729 -16.771 4.136 1.00 0.00 H new ATOM 0 HA LYS A 92 -18.216 -17.498 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -21.004 -18.579 5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -19.603 -19.577 6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -19.974 -18.647 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -18.813 -17.505 7.636 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.376 -15.932 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -21.142 -16.392 6.703 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -22.109 -18.336 8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -21.994 -16.941 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.130 -17.031 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -23.272 -15.655 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -23.383 -17.007 6.866 1.00 0.00 H new ATOM 1314 N SER A 93 -17.834 -19.507 4.047 1.00 0.00 N ATOM 1315 CA SER A 93 -17.385 -20.369 2.966 1.00 0.00 C ATOM 1316 C SER A 93 -17.962 -21.775 3.145 1.00 0.00 C ATOM 1317 O SER A 93 -17.599 -22.484 4.082 1.00 0.00 O ATOM 1318 CB SER A 93 -15.857 -20.426 2.905 1.00 0.00 C ATOM 1319 OG SER A 93 -15.388 -20.804 1.614 1.00 0.00 O ATOM 0 H SER A 93 -17.361 -19.658 4.938 1.00 0.00 H new ATOM 0 HA SER A 93 -17.744 -19.953 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.447 -19.451 3.168 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.491 -21.137 3.646 1.00 0.00 H new ATOM 0 HG SER A 93 -14.408 -20.827 1.616 1.00 0.00 H new ATOM 1325 N GLU A 94 -18.850 -22.136 2.230 1.00 0.00 N ATOM 1326 CA GLU A 94 -19.481 -23.444 2.275 1.00 0.00 C ATOM 1327 C GLU A 94 -18.484 -24.528 1.861 1.00 0.00 C ATOM 1328 O GLU A 94 -18.018 -24.546 0.722 1.00 0.00 O ATOM 1329 CB GLU A 94 -20.729 -23.481 1.392 1.00 0.00 C ATOM 1330 CG GLU A 94 -20.354 -23.438 -0.091 1.00 0.00 C ATOM 1331 CD GLU A 94 -21.561 -23.058 -0.951 1.00 0.00 C ATOM 1332 OE1 GLU A 94 -22.339 -23.981 -1.277 1.00 0.00 O ATOM 1333 OE2 GLU A 94 -21.677 -21.854 -1.264 1.00 0.00 O ATOM 0 H GLU A 94 -19.147 -21.545 1.453 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.796 -23.639 3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.299 -24.386 1.600 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -21.374 -22.636 1.632 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -19.551 -22.717 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.973 -24.411 -0.402 1.00 0.00 H new ATOM 1340 N PRO A 95 -18.177 -25.429 2.833 1.00 0.00 N ATOM 1341 CA PRO A 95 -17.244 -26.513 2.580 1.00 0.00 C ATOM 1342 C PRO A 95 -17.890 -27.605 1.725 1.00 0.00 C ATOM 1343 O PRO A 95 -19.047 -27.483 1.328 1.00 0.00 O ATOM 1344 CB PRO A 95 -16.831 -27.005 3.958 1.00 0.00 C ATOM 1345 CG PRO A 95 -17.892 -26.495 4.918 1.00 0.00 C ATOM 1346 CD PRO A 95 -18.709 -25.438 4.192 1.00 0.00 C ATOM 0 HA PRO A 95 -16.373 -26.193 2.007 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.773 -28.093 3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.845 -26.627 4.229 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.533 -27.313 5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.429 -26.073 5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -19.771 -25.683 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -18.604 -24.462 4.665 1.00 0.00 H new ATOM 1354 N VAL A 96 -17.113 -28.646 1.466 1.00 0.00 N ATOM 1355 CA VAL A 96 -17.595 -29.758 0.664 1.00 0.00 C ATOM 1356 C VAL A 96 -17.778 -30.985 1.560 1.00 0.00 C ATOM 1357 O VAL A 96 -16.896 -31.320 2.349 1.00 0.00 O ATOM 1358 CB VAL A 96 -16.643 -30.011 -0.507 1.00 0.00 C ATOM 1359 CG1 VAL A 96 -16.593 -28.801 -1.443 1.00 0.00 C ATOM 1360 CG2 VAL A 96 -15.244 -30.375 -0.008 1.00 0.00 C ATOM 0 H VAL A 96 -16.153 -28.743 1.797 1.00 0.00 H new ATOM 0 HA VAL A 96 -18.567 -29.523 0.230 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.027 -30.859 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -15.909 -29.006 -2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -17.590 -28.606 -1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -16.244 -27.928 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -14.588 -30.550 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -14.848 -29.557 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -15.298 -31.278 0.599 1.00 0.00 H new ATOM 1370 N SER A 97 -18.930 -31.622 1.408 1.00 0.00 N ATOM 1371 CA SER A 97 -19.241 -32.804 2.194 1.00 0.00 C ATOM 1372 C SER A 97 -19.515 -33.991 1.267 1.00 0.00 C ATOM 1373 O SER A 97 -20.136 -33.833 0.217 1.00 0.00 O ATOM 1374 CB SER A 97 -20.441 -32.557 3.109 1.00 0.00 C ATOM 1375 OG SER A 97 -20.046 -32.345 4.462 1.00 0.00 O ATOM 0 H SER A 97 -19.659 -31.342 0.752 1.00 0.00 H new ATOM 0 HA SER A 97 -18.381 -33.033 2.823 1.00 0.00 H new ATOM 0 HB2 SER A 97 -20.996 -31.689 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 97 -21.117 -33.410 3.058 1.00 0.00 H new ATOM 0 HG SER A 97 -20.841 -32.189 5.014 1.00 0.00 H new ATOM 1381 N SER A 98 -19.038 -35.153 1.690 1.00 0.00 N ATOM 1382 CA SER A 98 -19.225 -36.365 0.911 1.00 0.00 C ATOM 1383 C SER A 98 -20.019 -37.391 1.722 1.00 0.00 C ATOM 1384 O SER A 98 -20.069 -37.314 2.948 1.00 0.00 O ATOM 1385 CB SER A 98 -17.880 -36.955 0.481 1.00 0.00 C ATOM 1386 OG SER A 98 -17.079 -37.328 1.598 1.00 0.00 O ATOM 0 H SER A 98 -18.523 -35.280 2.561 1.00 0.00 H new ATOM 0 HA SER A 98 -19.785 -36.111 0.011 1.00 0.00 H new ATOM 0 HB2 SER A 98 -18.052 -37.828 -0.149 1.00 0.00 H new ATOM 0 HB3 SER A 98 -17.341 -36.226 -0.124 1.00 0.00 H new ATOM 0 HG SER A 98 -16.230 -37.702 1.282 1.00 0.00 H new ATOM 1392 N GLY A 99 -20.620 -38.328 1.004 1.00 0.00 N ATOM 1393 CA GLY A 99 -21.410 -39.368 1.641 1.00 0.00 C ATOM 1394 C GLY A 99 -20.782 -40.746 1.421 1.00 0.00 C ATOM 1395 O GLY A 99 -20.591 -41.171 0.283 1.00 0.00 O ATOM 0 H GLY A 99 -20.576 -38.389 -0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -21.489 -39.167 2.709 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -22.423 -39.358 1.239 1.00 0.00 H new ATOM 1399 N PRO A 100 -20.469 -41.423 2.559 1.00 0.00 N ATOM 1400 CA PRO A 100 -19.866 -42.744 2.502 1.00 0.00 C ATOM 1401 C PRO A 100 -20.901 -43.802 2.115 1.00 0.00 C ATOM 1402 O PRO A 100 -21.797 -44.115 2.898 1.00 0.00 O ATOM 1403 CB PRO A 100 -19.276 -42.967 3.885 1.00 0.00 C ATOM 1404 CG PRO A 100 -19.968 -41.970 4.799 1.00 0.00 C ATOM 1405 CD PRO A 100 -20.680 -40.951 3.924 1.00 0.00 C ATOM 0 HA PRO A 100 -19.093 -42.822 1.737 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -19.446 -43.989 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -18.198 -42.809 3.880 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -20.680 -42.479 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -19.242 -41.477 5.445 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -21.742 -40.896 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -20.269 -39.951 4.065 1.00 0.00 H new ATOM 1413 N SER A 101 -20.743 -44.325 0.908 1.00 0.00 N ATOM 1414 CA SER A 101 -21.653 -45.342 0.408 1.00 0.00 C ATOM 1415 C SER A 101 -20.894 -46.648 0.163 1.00 0.00 C ATOM 1416 O SER A 101 -19.805 -46.639 -0.408 1.00 0.00 O ATOM 1417 CB SER A 101 -22.343 -44.880 -0.877 1.00 0.00 C ATOM 1418 OG SER A 101 -23.754 -45.069 -0.823 1.00 0.00 O ATOM 0 H SER A 101 -19.999 -44.064 0.262 1.00 0.00 H new ATOM 0 HA SER A 101 -22.423 -45.512 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.125 -43.826 -1.047 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.936 -45.430 -1.725 1.00 0.00 H new ATOM 0 HG SER A 101 -24.158 -44.760 -1.661 1.00 0.00 H new ATOM 1424 N SER A 102 -21.500 -47.739 0.607 1.00 0.00 N ATOM 1425 CA SER A 102 -20.895 -49.050 0.443 1.00 0.00 C ATOM 1426 C SER A 102 -21.647 -49.843 -0.627 1.00 0.00 C ATOM 1427 O SER A 102 -22.869 -49.972 -0.565 1.00 0.00 O ATOM 1428 CB SER A 102 -20.883 -49.820 1.765 1.00 0.00 C ATOM 1429 OG SER A 102 -22.182 -50.286 2.123 1.00 0.00 O ATOM 0 H SER A 102 -22.404 -47.742 1.080 1.00 0.00 H new ATOM 0 HA SER A 102 -19.862 -48.913 0.125 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.203 -50.668 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 102 -20.498 -49.176 2.556 1.00 0.00 H new ATOM 0 HG SER A 102 -22.784 -50.199 1.355 1.00 0.00 H new ATOM 1435 N GLY A 103 -20.886 -50.355 -1.583 1.00 0.00 N ATOM 1436 CA GLY A 103 -21.466 -51.132 -2.665 1.00 0.00 C ATOM 1437 C GLY A 103 -21.125 -52.617 -2.518 1.00 0.00 C ATOM 1438 O GLY A 103 -19.963 -53.004 -2.629 1.00 0.00 O ATOM 0 H GLY A 103 -19.873 -50.247 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.548 -51.003 -2.671 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -21.096 -50.763 -3.622 1.00 0.00 H new TER 1442 GLY A 103