USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 908 hydrogens (3 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 NoAdj-H: A 118 LYS HZ1 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD NoAdj-H: A 118 LYS HZ2 : A 118 LYS NZ : A 129 ACE C :(NH2R) USER MOD Set 1.1: A 116 ASN : amide:sc= -7.61! C(o=-16!,f=-18!) USER MOD Set 1.2: A 119 HIS : no HE2:sc= -8.47! C(o=-16!,f=-24!) USER MOD Set 2.1: A 73 SER OG : rot 22:sc= 1.32 USER MOD Set 2.2: A 101 THR OG1 : rot 164:sc= 1.23 USER MOD Set 3.1: A 5 TYR OH : rot 24:sc= 0.309! USER MOD Set 3.2: A 57 TYR OH : rot -23:sc= 0.73 USER MOD Set 4.1: A 7 ASN : amide:sc= -7.3! C(o=-8.2!,f=-17!) USER MOD Set 4.2: A 10 THR OG1 : rot -12:sc= -0.887! USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot -110:sc= 0.189 USER MOD Single : A 14 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.48) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.83) USER MOD Single : A 37 TYR OH : rot 48:sc= 0.768 USER MOD Single : A 39 THR OG1 : rot -37:sc= 0.307 USER MOD Single : A 40 MET CE :methyl -170:sc= -6.13! (180deg=-6.59!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.39) USER MOD Single : A 62 SER OG : rot -57:sc= 1.11 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= -2.11! (180deg=-2.28!) USER MOD Single : A 82 MET CE :methyl 152:sc= -0.138 (180deg=-0.845) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.78 K(o=-1.8,f=-2.5!) USER MOD Single : A 86 GLN : amide:sc= -0.542 K(o=-0.54,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= -0.467 (180deg=-0.907) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 1.08 (180deg=0.911) USER MOD Single : A 115 TYR OH : rot -62:sc= 1.23 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.0023) USER MOD Single : A 125 ASN : amide:sc= -0.0707 K(o=-0.071,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 2.760 6.182 30.291 1.00 3.92 N ATOM 2 CA PRO A 1 2.792 7.260 29.264 1.00 3.44 C ATOM 3 C PRO A 1 1.754 8.339 29.588 1.00 3.50 C ATOM 4 O PRO A 1 0.638 8.045 29.972 1.00 4.94 O ATOM 5 CB PRO A 1 2.445 6.542 27.966 1.00 2.00 C ATOM 6 CG PRO A 1 1.671 5.339 28.392 1.00 4.99 C ATOM 7 CD PRO A 1 2.196 4.943 29.747 1.00 3.38 C ATOM 0 H2 PRO A 1 2.206 6.488 31.091 1.00 3.92 H new ATOM 0 H3 PRO A 1 3.705 6.007 30.632 1.00 3.92 H new ATOM 0 HA PRO A 1 3.754 7.770 29.213 1.00 3.44 H new ATOM 0 HB2 PRO A 1 1.855 7.179 27.307 1.00 2.00 H new ATOM 0 HB3 PRO A 1 3.344 6.260 27.417 1.00 2.00 H new ATOM 0 HG2 PRO A 1 0.605 5.562 28.440 1.00 4.99 H new ATOM 0 HG3 PRO A 1 1.795 4.526 27.676 1.00 4.99 H new ATOM 0 HD2 PRO A 1 1.401 4.554 30.384 1.00 3.38 H new ATOM 0 HD3 PRO A 1 2.952 4.162 29.668 1.00 3.38 H new ATOM 17 N THR A 2 2.114 9.585 29.438 1.00 3.08 N ATOM 18 CA THR A 2 1.151 10.682 29.740 1.00 2.08 C ATOM 19 C THR A 2 0.821 11.467 28.467 1.00 2.52 C ATOM 20 O THR A 2 1.700 11.932 27.767 1.00 2.28 O ATOM 21 CB THR A 2 1.876 11.577 30.746 1.00 3.47 C ATOM 22 OG1 THR A 2 2.842 10.809 31.450 1.00 3.73 O ATOM 23 CG2 THR A 2 0.867 12.163 31.735 1.00 3.09 C ATOM 0 H THR A 2 3.034 9.890 29.119 1.00 3.08 H new ATOM 0 HA THR A 2 0.207 10.304 30.132 1.00 2.08 H new ATOM 0 HB THR A 2 2.373 12.390 30.216 1.00 3.47 H new ATOM 0 HG1 THR A 2 3.309 11.381 32.094 1.00 3.73 H new ATOM 0 HG21 THR A 2 1.387 12.800 32.450 1.00 3.09 H new ATOM 0 HG22 THR A 2 0.128 12.753 31.194 1.00 3.09 H new ATOM 0 HG23 THR A 2 0.367 11.354 32.267 1.00 3.09 H new ATOM 31 N VAL A 3 -0.438 11.621 28.162 1.00 10.00 N ATOM 32 CA VAL A 3 -0.823 12.381 26.937 1.00 10.00 C ATOM 33 C VAL A 3 -1.704 13.575 27.315 1.00 10.00 C ATOM 34 O VAL A 3 -2.796 13.417 27.819 1.00 10.00 O ATOM 35 CB VAL A 3 -1.607 11.384 26.083 1.00 10.00 C ATOM 36 CG1 VAL A 3 -2.158 12.095 24.845 1.00 10.00 C ATOM 37 CG2 VAL A 3 -0.680 10.247 25.646 1.00 10.00 C ATOM 0 H VAL A 3 -1.218 11.254 28.708 1.00 10.00 H new ATOM 0 HA VAL A 3 0.042 12.779 26.406 1.00 10.00 H new ATOM 0 HB VAL A 3 -2.433 10.977 26.667 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -2.717 11.385 24.236 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.818 12.906 25.154 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.332 12.502 24.262 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -1.238 9.536 25.037 1.00 10.00 H new ATOM 0 HG22 VAL A 3 0.146 10.655 25.063 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -0.286 9.740 26.527 1.00 10.00 H new ATOM 47 N GLU A 4 -1.236 14.770 27.084 1.00 10.00 N ATOM 48 CA GLU A 4 -2.047 15.969 27.438 1.00 10.00 C ATOM 49 C GLU A 4 -3.083 16.260 26.348 1.00 10.00 C ATOM 50 O GLU A 4 -2.744 16.575 25.226 1.00 10.00 O ATOM 51 CB GLU A 4 -1.038 17.112 27.537 1.00 50.00 C ATOM 52 CG GLU A 4 -1.611 18.229 28.412 1.00 50.00 C ATOM 53 CD GLU A 4 -0.464 19.021 29.042 1.00 50.00 C ATOM 54 OE1 GLU A 4 0.182 19.765 28.323 1.00 50.00 O ATOM 55 OE2 GLU A 4 -0.251 18.871 30.235 1.00 50.00 O ATOM 0 H GLU A 4 -0.327 14.968 26.665 1.00 10.00 H new ATOM 0 HA GLU A 4 -2.601 15.829 28.366 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -0.102 16.748 27.961 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -0.810 17.496 26.543 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -2.238 18.890 27.813 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -2.246 17.806 29.190 1.00 50.00 H new ATOM 62 N TYR A 5 -4.346 16.159 26.670 1.00 10.00 N ATOM 63 CA TYR A 5 -5.398 16.436 25.647 1.00 10.00 C ATOM 64 C TYR A 5 -5.801 17.914 25.688 1.00 10.00 C ATOM 65 O TYR A 5 -5.911 18.510 26.742 1.00 10.00 O ATOM 66 CB TYR A 5 -6.580 15.544 26.034 1.00 10.00 C ATOM 67 CG TYR A 5 -7.084 15.931 27.404 1.00 10.00 C ATOM 68 CD1 TYR A 5 -7.926 17.040 27.554 1.00 10.00 C ATOM 69 CD2 TYR A 5 -6.714 15.179 28.525 1.00 10.00 C ATOM 70 CE1 TYR A 5 -8.396 17.395 28.824 1.00 50.00 C ATOM 71 CE2 TYR A 5 -7.183 15.534 29.794 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.024 16.641 29.944 1.00 50.00 C ATOM 73 OH TYR A 5 -8.488 16.992 31.195 1.00 50.00 O ATOM 0 H TYR A 5 -4.694 15.898 27.593 1.00 10.00 H new ATOM 0 HA TYR A 5 -5.051 16.230 24.634 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -7.380 15.645 25.300 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -6.275 14.498 26.031 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -8.213 17.621 26.690 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -6.065 14.323 28.410 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -9.045 18.250 28.940 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -6.896 14.953 30.658 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.319 17.503 31.104 1.00 50.00 H new ATOM 83 N LEU A 6 -6.018 18.511 24.546 1.00 10.00 N ATOM 84 CA LEU A 6 -6.410 19.951 24.514 1.00 10.00 C ATOM 85 C LEU A 6 -7.661 20.144 23.652 1.00 10.00 C ATOM 86 O LEU A 6 -7.646 19.903 22.461 1.00 10.00 O ATOM 87 CB LEU A 6 -5.217 20.671 23.882 1.00 12.50 C ATOM 88 CG LEU A 6 -4.860 21.911 24.707 1.00 12.50 C ATOM 89 CD1 LEU A 6 -3.774 22.708 23.981 1.00 50.00 C ATOM 90 CD2 LEU A 6 -6.100 22.789 24.881 1.00 50.00 C ATOM 0 H LEU A 6 -5.941 18.063 23.633 1.00 10.00 H new ATOM 0 HA LEU A 6 -6.645 20.334 25.507 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -4.361 19.999 23.831 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -5.456 20.961 22.859 1.00 12.50 H new ATOM 0 HG LEU A 6 -4.496 21.600 25.686 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -3.518 23.591 24.566 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -2.888 22.086 23.857 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.141 23.016 23.002 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -5.842 23.670 25.468 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -6.466 23.100 23.902 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -6.877 22.224 25.396 1.00 50.00 H new ATOM 102 N ASN A 7 -8.741 20.582 24.240 1.00 10.00 N ATOM 103 CA ASN A 7 -9.985 20.794 23.446 1.00 10.00 C ATOM 104 C ASN A 7 -9.691 21.685 22.236 1.00 10.00 C ATOM 105 O ASN A 7 -9.195 22.786 22.371 1.00 10.00 O ATOM 106 CB ASN A 7 -10.952 21.492 24.404 1.00 10.00 C ATOM 107 CG ASN A 7 -10.344 22.815 24.872 1.00 10.00 C ATOM 108 OD1 ASN A 7 -9.168 23.057 24.686 1.00 12.50 O ATOM 109 ND2 ASN A 7 -11.102 23.687 25.477 1.00 12.50 N ATOM 0 H ASN A 7 -8.816 20.802 25.233 1.00 10.00 H new ATOM 0 HA ASN A 7 -10.396 19.860 23.062 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -11.905 21.674 23.907 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -11.157 20.851 25.261 1.00 10.00 H new ATOM 0 HD21 ASN A 7 -10.708 24.573 25.794 1.00 12.50 H new ATOM 0 HD22 ASN A 7 -12.089 23.483 25.633 1.00 12.50 H new ATOM 116 N TYR A 8 -9.990 21.219 21.056 1.00 50.00 N ATOM 117 CA TYR A 8 -9.726 22.041 19.839 1.00 50.00 C ATOM 118 C TYR A 8 -10.481 23.372 19.929 1.00 50.00 C ATOM 119 O TYR A 8 -10.197 24.307 19.208 1.00 50.00 O ATOM 120 CB TYR A 8 -10.245 21.190 18.673 1.00 50.00 C ATOM 121 CG TYR A 8 -10.550 22.073 17.484 1.00 50.00 C ATOM 122 CD1 TYR A 8 -9.541 22.388 16.566 1.00 50.00 C ATOM 123 CD2 TYR A 8 -11.844 22.577 17.303 1.00 50.00 C ATOM 124 CE1 TYR A 8 -9.826 23.207 15.467 1.00 50.00 C ATOM 125 CE2 TYR A 8 -12.128 23.396 16.203 1.00 50.00 C ATOM 126 CZ TYR A 8 -11.119 23.711 15.286 1.00 50.00 C ATOM 127 OH TYR A 8 -11.400 24.519 14.202 1.00 50.00 O ATOM 0 H TYR A 8 -10.406 20.304 20.880 1.00 50.00 H new ATOM 0 HA TYR A 8 -8.671 22.289 19.719 1.00 50.00 H new ATOM 0 HB2 TYR A 8 -9.502 20.441 18.399 1.00 50.00 H new ATOM 0 HB3 TYR A 8 -11.143 20.652 18.976 1.00 50.00 H new ATOM 0 HD1 TYR A 8 -8.543 21.999 16.706 1.00 50.00 H new ATOM 0 HD2 TYR A 8 -12.622 22.334 18.011 1.00 50.00 H new ATOM 0 HE1 TYR A 8 -9.048 23.450 14.759 1.00 50.00 H new ATOM 0 HE2 TYR A 8 -13.126 23.785 16.062 1.00 50.00 H new ATOM 0 HH TYR A 8 -11.556 25.436 14.509 1.00 50.00 H new ATOM 137 N GLU A 9 -11.441 23.461 20.807 1.00 25.00 N ATOM 138 CA GLU A 9 -12.215 24.730 20.938 1.00 25.00 C ATOM 139 C GLU A 9 -11.337 25.837 21.528 1.00 25.00 C ATOM 140 O GLU A 9 -11.475 26.996 21.188 1.00 25.00 O ATOM 141 CB GLU A 9 -13.367 24.394 21.885 1.00 50.00 C ATOM 142 CG GLU A 9 -14.689 24.445 21.116 1.00 50.00 C ATOM 143 CD GLU A 9 -15.449 25.719 21.492 1.00 50.00 C ATOM 144 OE1 GLU A 9 -14.822 26.764 21.547 1.00 50.00 O ATOM 145 OE2 GLU A 9 -16.644 25.627 21.718 1.00 50.00 O ATOM 0 H GLU A 9 -11.724 22.712 21.439 1.00 25.00 H new ATOM 0 HA GLU A 9 -12.571 25.095 19.974 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.222 23.403 22.315 1.00 50.00 H new ATOM 0 HB3 GLU A 9 -13.389 25.101 22.714 1.00 50.00 H new ATOM 0 HG2 GLU A 9 -14.499 24.426 20.043 1.00 50.00 H new ATOM 0 HG3 GLU A 9 -15.292 23.567 21.349 1.00 50.00 H new ATOM 152 N THR A 10 -10.436 25.495 22.408 1.00 50.00 N ATOM 153 CA THR A 10 -9.557 26.539 23.011 1.00 50.00 C ATOM 154 C THR A 10 -8.576 27.072 21.964 1.00 50.00 C ATOM 155 O THR A 10 -8.192 28.225 21.990 1.00 50.00 O ATOM 156 CB THR A 10 -8.808 25.827 24.140 1.00 50.00 C ATOM 157 OG1 THR A 10 -9.683 25.645 25.244 1.00 50.00 O ATOM 158 CG2 THR A 10 -7.610 26.674 24.574 1.00 50.00 C ATOM 0 H THR A 10 -10.270 24.543 22.735 1.00 50.00 H new ATOM 0 HA THR A 10 -10.124 27.394 23.378 1.00 50.00 H new ATOM 0 HB THR A 10 -8.457 24.857 23.788 1.00 50.00 H new ATOM 0 HG1 THR A 10 -10.494 26.179 25.110 1.00 50.00 H new ATOM 0 HG21 THR A 10 -7.077 26.166 25.378 1.00 50.00 H new ATOM 0 HG22 THR A 10 -6.939 26.816 23.727 1.00 50.00 H new ATOM 0 HG23 THR A 10 -7.959 27.644 24.927 1.00 50.00 H new ATOM 166 N LEU A 11 -8.171 26.245 21.038 1.00 50.00 N ATOM 167 CA LEU A 11 -7.219 26.711 19.990 1.00 50.00 C ATOM 168 C LEU A 11 -7.932 27.656 19.019 1.00 50.00 C ATOM 169 O LEU A 11 -7.384 28.654 18.596 1.00 50.00 O ATOM 170 CB LEU A 11 -6.765 25.443 19.268 1.00 50.00 C ATOM 171 CG LEU A 11 -5.884 25.824 18.076 1.00 50.00 C ATOM 172 CD1 LEU A 11 -4.600 26.487 18.582 1.00 50.00 C ATOM 173 CD2 LEU A 11 -5.530 24.567 17.278 1.00 50.00 C ATOM 0 H LEU A 11 -8.458 25.269 20.962 1.00 50.00 H new ATOM 0 HA LEU A 11 -6.376 27.259 20.411 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -6.212 24.800 19.952 1.00 50.00 H new ATOM 0 HB3 LEU A 11 -7.631 24.875 18.927 1.00 50.00 H new ATOM 0 HG LEU A 11 -6.424 26.520 17.434 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -3.972 26.759 17.734 1.00 50.00 H new ATOM 0 HD12 LEU A 11 -4.852 27.383 19.148 1.00 50.00 H new ATOM 0 HD13 LEU A 11 -4.060 25.792 19.225 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -4.903 24.839 16.429 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -4.991 23.869 17.919 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -6.444 24.096 16.917 1.00 50.00 H new ATOM 185 N ASP A 12 -9.150 27.349 18.667 1.00 50.00 N ATOM 186 CA ASP A 12 -9.898 28.233 17.727 1.00 50.00 C ATOM 187 C ASP A 12 -10.415 29.466 18.471 1.00 50.00 C ATOM 188 O ASP A 12 -10.164 30.589 18.082 1.00 50.00 O ATOM 189 CB ASP A 12 -11.062 27.380 17.223 1.00 50.00 C ATOM 190 CG ASP A 12 -11.659 28.022 15.969 1.00 50.00 C ATOM 191 OD1 ASP A 12 -11.880 29.222 15.989 1.00 50.00 O ATOM 192 OD2 ASP A 12 -11.884 27.303 15.009 1.00 50.00 O ATOM 0 H ASP A 12 -9.660 26.526 18.988 1.00 50.00 H new ATOM 0 HA ASP A 12 -9.275 28.592 16.908 1.00 50.00 H new ATOM 0 HB2 ASP A 12 -10.717 26.371 16.999 1.00 50.00 H new ATOM 0 HB3 ASP A 12 -11.824 27.292 17.997 1.00 50.00 H new ATOM 197 N ASP A 13 -11.133 29.266 19.543 1.00 50.00 N ATOM 198 CA ASP A 13 -11.659 30.429 20.314 1.00 50.00 C ATOM 199 C ASP A 13 -10.529 31.423 20.588 1.00 50.00 C ATOM 200 O ASP A 13 -10.659 32.607 20.350 1.00 50.00 O ATOM 201 CB ASP A 13 -12.182 29.833 21.622 1.00 50.00 C ATOM 202 CG ASP A 13 -13.035 30.873 22.351 1.00 50.00 C ATOM 203 OD1 ASP A 13 -14.143 31.120 21.905 1.00 50.00 O ATOM 204 OD2 ASP A 13 -12.564 31.406 23.343 1.00 50.00 O ATOM 0 H ASP A 13 -11.378 28.349 19.918 1.00 50.00 H new ATOM 0 HA ASP A 13 -12.438 30.969 19.776 1.00 50.00 H new ATOM 0 HB2 ASP A 13 -12.774 28.941 21.417 1.00 50.00 H new ATOM 0 HB3 ASP A 13 -11.348 29.524 22.252 1.00 50.00 H new ATOM 209 N GLN A 14 -9.418 30.949 21.084 1.00 50.00 N ATOM 210 CA GLN A 14 -8.278 31.865 21.370 1.00 50.00 C ATOM 211 C GLN A 14 -7.488 32.131 20.085 1.00 50.00 C ATOM 212 O GLN A 14 -6.749 33.091 19.986 1.00 50.00 O ATOM 213 CB GLN A 14 -7.411 31.117 22.384 1.00 50.00 C ATOM 214 CG GLN A 14 -8.204 30.902 23.674 1.00 50.00 C ATOM 215 CD GLN A 14 -7.473 31.576 24.838 1.00 50.00 C ATOM 216 OE1 GLN A 14 -6.960 32.668 24.697 1.00 50.00 O ATOM 217 NE2 GLN A 14 -7.405 30.967 25.990 1.00 50.00 N ATOM 0 H GLN A 14 -9.251 29.967 21.303 1.00 50.00 H new ATOM 0 HA GLN A 14 -8.608 32.831 21.752 1.00 50.00 H new ATOM 0 HB2 GLN A 14 -7.098 30.157 21.973 1.00 50.00 H new ATOM 0 HB3 GLN A 14 -6.504 31.685 22.592 1.00 50.00 H new ATOM 0 HG2 GLN A 14 -9.207 31.317 23.571 1.00 50.00 H new ATOM 0 HG3 GLN A 14 -8.318 29.836 23.870 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -7.836 30.050 26.108 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -6.921 31.408 26.772 1.00 50.00 H new ATOM 226 N GLY A 15 -7.636 31.287 19.102 1.00 50.00 N ATOM 227 CA GLY A 15 -6.893 31.489 17.826 1.00 50.00 C ATOM 228 C GLY A 15 -5.390 31.438 18.101 1.00 50.00 C ATOM 229 O GLY A 15 -4.618 32.184 17.531 1.00 50.00 O ATOM 0 H GLY A 15 -8.240 30.465 19.127 1.00 50.00 H new ATOM 0 HA2 GLY A 15 -7.169 30.719 17.106 1.00 50.00 H new ATOM 0 HA3 GLY A 15 -7.161 32.449 17.384 1.00 50.00 H new ATOM 233 N TRP A 16 -4.967 30.562 18.972 1.00 50.00 N ATOM 234 CA TRP A 16 -3.513 30.464 19.285 1.00 50.00 C ATOM 235 C TRP A 16 -2.797 29.639 18.213 1.00 50.00 C ATOM 236 O TRP A 16 -3.370 29.285 17.202 1.00 50.00 O ATOM 237 CB TRP A 16 -3.447 29.754 20.636 1.00 50.00 C ATOM 238 CG TRP A 16 -2.753 30.633 21.626 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.029 30.680 22.949 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.677 31.589 21.398 1.00 50.00 C ATOM 241 NE1 TRP A 16 -2.192 31.605 23.547 1.00 50.00 N ATOM 242 CE2 TRP A 16 -1.340 32.192 22.632 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.969 31.987 20.250 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -0.337 33.155 22.725 1.00 50.00 C ATOM 245 CZ3 TRP A 16 0.043 32.957 20.340 1.00 50.00 C ATOM 246 CH2 TRP A 16 0.359 33.540 21.575 1.00 50.00 C ATOM 0 H TRP A 16 -5.565 29.910 19.480 1.00 50.00 H new ATOM 0 HA TRP A 16 -3.029 31.441 19.312 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -4.452 29.518 20.985 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.914 28.808 20.537 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -3.780 30.092 23.456 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -2.203 31.827 24.543 1.00 50.00 H new ATOM 0 HE3 TRP A 16 -1.205 31.544 19.294 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -0.099 33.601 23.679 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 0.581 33.255 19.452 1.00 50.00 H new ATOM 0 HH2 TRP A 16 1.138 34.285 21.638 1.00 50.00 H new ATOM 257 N ASP A 17 -1.549 29.329 18.428 1.00 50.00 N ATOM 258 CA ASP A 17 -0.798 28.525 17.423 1.00 50.00 C ATOM 259 C ASP A 17 -0.870 27.037 17.777 1.00 50.00 C ATOM 260 O ASP A 17 -1.387 26.659 18.809 1.00 50.00 O ATOM 261 CB ASP A 17 0.642 29.032 17.501 1.00 50.00 C ATOM 262 CG ASP A 17 0.720 30.433 16.889 1.00 50.00 C ATOM 263 OD1 ASP A 17 -0.326 31.002 16.625 1.00 50.00 O ATOM 264 OD2 ASP A 17 1.825 30.912 16.695 1.00 50.00 O ATOM 0 H ASP A 17 -1.017 29.597 19.256 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.208 28.631 16.419 1.00 50.00 H new ATOM 0 HB2 ASP A 17 0.975 29.057 18.539 1.00 50.00 H new ATOM 0 HB3 ASP A 17 1.308 28.353 16.969 1.00 50.00 H new ATOM 269 N MET A 18 -0.363 26.190 16.923 1.00 50.00 N ATOM 270 CA MET A 18 -0.410 24.726 17.207 1.00 50.00 C ATOM 271 C MET A 18 0.704 24.321 18.177 1.00 50.00 C ATOM 272 O MET A 18 0.478 23.594 19.124 1.00 50.00 O ATOM 273 CB MET A 18 -0.207 24.055 15.849 1.00 50.00 C ATOM 274 CG MET A 18 -1.411 24.349 14.952 1.00 50.00 C ATOM 275 SD MET A 18 -0.839 25.064 13.391 1.00 50.00 S ATOM 276 CE MET A 18 -0.503 23.504 12.538 1.00 50.00 C ATOM 0 H MET A 18 0.081 26.447 16.042 1.00 50.00 H new ATOM 0 HA MET A 18 -1.349 24.433 17.676 1.00 50.00 H new ATOM 0 HB2 MET A 18 0.707 24.423 15.382 1.00 50.00 H new ATOM 0 HB3 MET A 18 -0.089 22.979 15.977 1.00 50.00 H new ATOM 0 HG2 MET A 18 -1.969 23.432 14.762 1.00 50.00 H new ATOM 0 HG3 MET A 18 -2.091 25.038 15.452 1.00 50.00 H new ATOM 0 HE1 MET A 18 -0.132 23.711 11.534 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.247 22.940 13.093 1.00 50.00 H new ATOM 0 HE3 MET A 18 -1.421 22.920 12.472 1.00 50.00 H new ATOM 286 N ASP A 19 1.907 24.773 17.946 1.00 50.00 N ATOM 287 CA ASP A 19 3.026 24.393 18.858 1.00 50.00 C ATOM 288 C ASP A 19 3.946 25.588 19.119 1.00 50.00 C ATOM 289 O ASP A 19 4.966 25.464 19.767 1.00 50.00 O ATOM 290 CB ASP A 19 3.780 23.293 18.111 1.00 50.00 C ATOM 291 CG ASP A 19 4.226 23.817 16.744 1.00 50.00 C ATOM 292 OD1 ASP A 19 5.225 24.515 16.697 1.00 50.00 O ATOM 293 OD2 ASP A 19 3.560 23.512 15.768 1.00 50.00 O ATOM 0 H ASP A 19 2.163 25.385 17.171 1.00 50.00 H new ATOM 0 HA ASP A 19 2.665 24.062 19.832 1.00 50.00 H new ATOM 0 HB2 ASP A 19 4.646 22.974 18.690 1.00 50.00 H new ATOM 0 HB3 ASP A 19 3.140 22.419 17.986 1.00 50.00 H new ATOM 298 N ASP A 20 3.600 26.744 18.623 1.00 50.00 N ATOM 299 CA ASP A 20 4.466 27.937 18.853 1.00 50.00 C ATOM 300 C ASP A 20 4.245 28.483 20.267 1.00 50.00 C ATOM 301 O ASP A 20 5.154 28.528 21.073 1.00 50.00 O ATOM 302 CB ASP A 20 4.026 28.958 17.804 1.00 50.00 C ATOM 303 CG ASP A 20 4.781 28.702 16.498 1.00 50.00 C ATOM 304 OD1 ASP A 20 5.968 28.978 16.459 1.00 50.00 O ATOM 305 OD2 ASP A 20 4.159 28.232 15.559 1.00 50.00 O ATOM 0 H ASP A 20 2.760 26.915 18.071 1.00 50.00 H new ATOM 0 HA ASP A 20 5.527 27.701 18.766 1.00 50.00 H new ATOM 0 HB2 ASP A 20 2.952 28.884 17.636 1.00 50.00 H new ATOM 0 HB3 ASP A 20 4.224 29.969 18.159 1.00 50.00 H new ATOM 310 N ASP A 21 3.046 28.896 20.574 1.00 50.00 N ATOM 311 CA ASP A 21 2.770 29.437 21.936 1.00 50.00 C ATOM 312 C ASP A 21 2.575 28.292 22.935 1.00 50.00 C ATOM 313 O ASP A 21 2.196 28.505 24.070 1.00 50.00 O ATOM 314 CB ASP A 21 1.482 30.249 21.792 1.00 50.00 C ATOM 315 CG ASP A 21 0.291 29.299 21.652 1.00 50.00 C ATOM 316 OD1 ASP A 21 -0.212 28.858 22.672 1.00 50.00 O ATOM 317 OD2 ASP A 21 -0.098 29.030 20.527 1.00 50.00 O ATOM 0 H ASP A 21 2.246 28.882 19.942 1.00 50.00 H new ATOM 0 HA ASP A 21 3.594 30.045 22.309 1.00 50.00 H new ATOM 0 HB2 ASP A 21 1.347 30.893 22.661 1.00 50.00 H new ATOM 0 HB3 ASP A 21 1.546 30.900 20.920 1.00 50.00 H new ATOM 322 N ASP A 22 2.827 27.082 22.523 1.00 50.00 N ATOM 323 CA ASP A 22 2.651 25.932 23.453 1.00 50.00 C ATOM 324 C ASP A 22 1.307 26.049 24.174 1.00 50.00 C ATOM 325 O ASP A 22 1.236 26.016 25.386 1.00 50.00 O ATOM 326 CB ASP A 22 3.809 26.043 24.446 1.00 50.00 C ATOM 327 CG ASP A 22 5.118 25.671 23.747 1.00 50.00 C ATOM 328 OD1 ASP A 22 5.307 26.098 22.619 1.00 50.00 O ATOM 329 OD2 ASP A 22 5.910 24.967 24.351 1.00 50.00 O ATOM 0 H ASP A 22 3.146 26.839 21.585 1.00 50.00 H new ATOM 0 HA ASP A 22 2.654 24.972 22.936 1.00 50.00 H new ATOM 0 HB2 ASP A 22 3.870 27.058 24.838 1.00 50.00 H new ATOM 0 HB3 ASP A 22 3.638 25.382 25.296 1.00 50.00 H new ATOM 334 N LEU A 23 0.243 26.192 23.430 1.00 50.00 N ATOM 335 CA LEU A 23 -1.108 26.319 24.055 1.00 50.00 C ATOM 336 C LEU A 23 -1.236 25.389 25.265 1.00 50.00 C ATOM 337 O LEU A 23 -1.736 25.774 26.304 1.00 50.00 O ATOM 338 CB LEU A 23 -2.089 25.906 22.957 1.00 50.00 C ATOM 339 CG LEU A 23 -3.521 26.157 23.433 1.00 50.00 C ATOM 340 CD1 LEU A 23 -3.626 27.565 24.021 1.00 50.00 C ATOM 341 CD2 LEU A 23 -4.482 26.025 22.249 1.00 50.00 C ATOM 0 H LEU A 23 0.251 26.227 22.411 1.00 50.00 H new ATOM 0 HA LEU A 23 -1.296 27.329 24.418 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -1.892 26.472 22.047 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -1.955 24.852 22.712 1.00 50.00 H new ATOM 0 HG LEU A 23 -3.783 25.425 24.197 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -4.647 27.743 24.360 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -2.942 27.659 24.865 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -3.364 28.298 23.258 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -5.503 26.204 22.587 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -4.220 26.756 21.484 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -4.409 25.021 21.831 1.00 50.00 H new ATOM 353 N PHE A 24 -0.786 24.170 25.145 1.00 50.00 N ATOM 354 CA PHE A 24 -0.881 23.226 26.295 1.00 50.00 C ATOM 355 C PHE A 24 -0.339 23.901 27.554 1.00 50.00 C ATOM 356 O PHE A 24 -0.746 23.604 28.659 1.00 50.00 O ATOM 357 CB PHE A 24 -0.003 22.034 25.910 1.00 50.00 C ATOM 358 CG PHE A 24 -0.696 21.210 24.852 1.00 50.00 C ATOM 359 CD1 PHE A 24 -0.510 21.511 23.498 1.00 50.00 C ATOM 360 CD2 PHE A 24 -1.523 20.143 25.224 1.00 50.00 C ATOM 361 CE1 PHE A 24 -1.150 20.746 22.515 1.00 50.00 C ATOM 362 CE2 PHE A 24 -2.163 19.377 24.242 1.00 50.00 C ATOM 363 CZ PHE A 24 -1.976 19.678 22.888 1.00 50.00 C ATOM 0 H PHE A 24 -0.357 23.787 24.302 1.00 50.00 H new ATOM 0 HA PHE A 24 -1.907 22.920 26.501 1.00 50.00 H new ATOM 0 HB2 PHE A 24 0.960 22.385 25.538 1.00 50.00 H new ATOM 0 HB3 PHE A 24 0.199 21.420 26.788 1.00 50.00 H new ATOM 0 HD1 PHE A 24 0.128 22.334 23.211 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -1.667 19.911 26.269 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -1.007 20.979 21.470 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -2.801 18.554 24.529 1.00 50.00 H new ATOM 0 HZ PHE A 24 -2.469 19.087 22.130 1.00 50.00 H new ATOM 373 N GLU A 25 0.576 24.812 27.386 1.00 50.00 N ATOM 374 CA GLU A 25 1.153 25.519 28.565 1.00 50.00 C ATOM 375 C GLU A 25 0.317 26.758 28.895 1.00 50.00 C ATOM 376 O GLU A 25 0.063 27.058 30.045 1.00 50.00 O ATOM 377 CB GLU A 25 2.564 25.922 28.135 1.00 50.00 C ATOM 378 CG GLU A 25 3.590 25.140 28.956 1.00 50.00 C ATOM 379 CD GLU A 25 3.983 23.867 28.203 1.00 50.00 C ATOM 380 OE1 GLU A 25 4.345 23.975 27.043 1.00 50.00 O ATOM 381 OE2 GLU A 25 3.913 22.805 28.800 1.00 50.00 O ATOM 0 H GLU A 25 0.951 25.099 26.482 1.00 50.00 H new ATOM 0 HA GLU A 25 1.164 24.894 29.458 1.00 50.00 H new ATOM 0 HB2 GLU A 25 2.703 25.721 27.073 1.00 50.00 H new ATOM 0 HB3 GLU A 25 2.708 26.993 28.279 1.00 50.00 H new ATOM 0 HG2 GLU A 25 4.472 25.755 29.137 1.00 50.00 H new ATOM 0 HG3 GLU A 25 3.174 24.885 29.931 1.00 50.00 H new ATOM 388 N LYS A 26 -0.116 27.475 27.896 1.00 50.00 N ATOM 389 CA LYS A 26 -0.939 28.692 28.153 1.00 50.00 C ATOM 390 C LYS A 26 -2.314 28.290 28.690 1.00 50.00 C ATOM 391 O LYS A 26 -3.010 29.080 29.296 1.00 50.00 O ATOM 392 CB LYS A 26 -1.071 29.376 26.792 1.00 50.00 C ATOM 393 CG LYS A 26 0.273 29.996 26.400 1.00 50.00 C ATOM 394 CD LYS A 26 0.126 31.517 26.315 1.00 50.00 C ATOM 395 CE LYS A 26 1.134 32.073 25.306 1.00 50.00 C ATOM 396 NZ LYS A 26 2.454 31.548 25.757 1.00 50.00 N ATOM 0 H LYS A 26 0.064 27.272 26.913 1.00 50.00 H new ATOM 0 HA LYS A 26 -0.487 29.350 28.895 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -1.384 28.653 26.039 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -1.841 30.147 26.833 1.00 50.00 H new ATOM 0 HG2 LYS A 26 1.035 29.734 27.134 1.00 50.00 H new ATOM 0 HG3 LYS A 26 0.604 29.597 25.441 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -0.888 31.778 26.013 1.00 50.00 H new ATOM 0 HD3 LYS A 26 0.292 31.964 27.295 1.00 50.00 H new ATOM 0 HE2 LYS A 26 0.902 31.743 24.293 1.00 50.00 H new ATOM 0 HE3 LYS A 26 1.124 33.163 25.297 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 3.210 32.187 25.437 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 2.468 31.488 26.795 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 2.607 30.602 25.354 1.00 50.00 H new ATOM 410 N ALA A 27 -2.707 27.064 28.477 1.00 50.00 N ATOM 411 CA ALA A 27 -4.034 26.610 28.981 1.00 50.00 C ATOM 412 C ALA A 27 -3.991 26.467 30.504 1.00 50.00 C ATOM 413 O ALA A 27 -4.973 26.677 31.187 1.00 50.00 O ATOM 414 CB ALA A 27 -4.266 25.252 28.318 1.00 50.00 C ATOM 0 H ALA A 27 -2.167 26.358 27.976 1.00 50.00 H new ATOM 0 HA ALA A 27 -4.832 27.315 28.748 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -5.227 24.850 28.639 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -4.267 25.371 27.235 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -3.470 24.565 28.607 1.00 50.00 H new ATOM 420 N ALA A 28 -2.854 26.114 31.039 1.00 50.00 N ATOM 421 CA ALA A 28 -2.741 25.959 32.517 1.00 50.00 C ATOM 422 C ALA A 28 -3.005 27.299 33.208 1.00 50.00 C ATOM 423 O ALA A 28 -3.465 27.350 34.332 1.00 50.00 O ATOM 424 CB ALA A 28 -1.302 25.505 32.758 1.00 50.00 C ATOM 0 H ALA A 28 -1.998 25.926 30.516 1.00 50.00 H new ATOM 0 HA ALA A 28 -3.464 25.248 32.916 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -1.138 25.368 33.827 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -1.126 24.562 32.240 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -0.614 26.261 32.379 1.00 50.00 H new ATOM 430 N ASP A 29 -2.716 28.384 32.544 1.00 50.00 N ATOM 431 CA ASP A 29 -2.951 29.721 33.161 1.00 50.00 C ATOM 432 C ASP A 29 -4.418 30.127 33.000 1.00 50.00 C ATOM 433 O ASP A 29 -4.874 31.089 33.585 1.00 50.00 O ATOM 434 CB ASP A 29 -2.042 30.679 32.392 1.00 50.00 C ATOM 435 CG ASP A 29 -0.634 30.634 32.989 1.00 50.00 C ATOM 436 OD1 ASP A 29 -0.410 29.821 33.870 1.00 50.00 O ATOM 437 OD2 ASP A 29 0.197 31.414 32.553 1.00 50.00 O ATOM 0 H ASP A 29 -2.327 28.403 31.601 1.00 50.00 H new ATOM 0 HA ASP A 29 -2.736 29.726 34.230 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -2.011 30.401 31.338 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -2.438 31.693 32.443 1.00 50.00 H new ATOM 442 N ALA A 30 -5.161 29.402 32.209 1.00 50.00 N ATOM 443 CA ALA A 30 -6.598 29.749 32.009 1.00 50.00 C ATOM 444 C ALA A 30 -7.480 28.910 32.939 1.00 50.00 C ATOM 445 O ALA A 30 -8.649 29.190 33.119 1.00 50.00 O ATOM 446 CB ALA A 30 -6.886 29.411 30.547 1.00 50.00 C ATOM 0 H ALA A 30 -4.836 28.585 31.693 1.00 50.00 H new ATOM 0 HA ALA A 30 -6.806 30.795 32.234 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -7.927 29.639 30.319 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -6.236 30.002 29.902 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -6.701 28.351 30.375 1.00 50.00 H new ATOM 452 N GLY A 31 -6.930 27.884 33.527 1.00 50.00 N ATOM 453 CA GLY A 31 -7.740 27.029 34.442 1.00 50.00 C ATOM 454 C GLY A 31 -8.916 26.429 33.669 1.00 50.00 C ATOM 455 O GLY A 31 -9.993 26.247 34.201 1.00 50.00 O ATOM 0 H GLY A 31 -5.957 27.600 33.414 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -7.121 26.234 34.858 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -8.106 27.620 35.281 1.00 50.00 H new ATOM 459 N LEU A 32 -8.719 26.123 32.417 1.00 50.00 N ATOM 460 CA LEU A 32 -9.825 25.537 31.607 1.00 50.00 C ATOM 461 C LEU A 32 -10.447 24.344 32.337 1.00 50.00 C ATOM 462 O LEU A 32 -9.932 23.875 33.332 1.00 50.00 O ATOM 463 CB LEU A 32 -9.164 25.082 30.306 1.00 50.00 C ATOM 464 CG LEU A 32 -9.221 26.216 29.281 1.00 50.00 C ATOM 465 CD1 LEU A 32 -8.103 26.030 28.254 1.00 50.00 C ATOM 466 CD2 LEU A 32 -10.577 26.194 28.572 1.00 50.00 C ATOM 0 H LEU A 32 -7.839 26.253 31.918 1.00 50.00 H new ATOM 0 HA LEU A 32 -10.628 26.252 31.430 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -8.128 24.797 30.492 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -9.672 24.200 29.917 1.00 50.00 H new ATOM 0 HG LEU A 32 -9.093 27.173 29.788 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -8.142 26.837 27.523 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -7.138 26.046 28.760 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -8.231 25.074 27.746 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -10.619 27.002 27.841 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -10.707 25.238 28.064 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -11.373 26.326 29.305 1.00 50.00 H new ATOM 478 N ASP A 33 -11.551 23.848 31.848 1.00 50.00 N ATOM 479 CA ASP A 33 -12.205 22.684 32.511 1.00 50.00 C ATOM 480 C ASP A 33 -11.397 21.410 32.253 1.00 50.00 C ATOM 481 O ASP A 33 -10.539 21.370 31.394 1.00 50.00 O ATOM 482 CB ASP A 33 -13.586 22.585 31.865 1.00 50.00 C ATOM 483 CG ASP A 33 -14.623 23.252 32.771 1.00 50.00 C ATOM 484 OD1 ASP A 33 -14.249 24.157 33.499 1.00 50.00 O ATOM 485 OD2 ASP A 33 -15.773 22.847 32.721 1.00 50.00 O ATOM 0 H ASP A 33 -12.028 24.199 31.018 1.00 50.00 H new ATOM 0 HA ASP A 33 -12.270 22.805 33.592 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -13.577 23.068 30.888 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -13.849 21.540 31.702 1.00 50.00 H new ATOM 490 N GLY A 34 -11.664 20.368 32.992 1.00 50.00 N ATOM 491 CA GLY A 34 -10.909 19.100 32.788 1.00 50.00 C ATOM 492 C GLY A 34 -11.442 18.379 31.548 1.00 50.00 C ATOM 493 O GLY A 34 -10.762 17.567 30.954 1.00 50.00 O ATOM 0 H GLY A 34 -12.371 20.340 33.727 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -9.847 19.313 32.669 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -11.010 18.460 33.665 1.00 50.00 H new ATOM 497 N GLU A 35 -12.653 18.665 31.155 1.00 50.00 N ATOM 498 CA GLU A 35 -13.227 17.991 29.954 1.00 50.00 C ATOM 499 C GLU A 35 -12.711 18.647 28.669 1.00 50.00 C ATOM 500 O GLU A 35 -13.169 18.350 27.584 1.00 50.00 O ATOM 501 CB GLU A 35 -14.739 18.178 30.079 1.00 50.00 C ATOM 502 CG GLU A 35 -15.454 16.972 29.465 1.00 50.00 C ATOM 503 CD GLU A 35 -16.290 17.427 28.267 1.00 50.00 C ATOM 504 OE1 GLU A 35 -16.082 18.540 27.814 1.00 50.00 O ATOM 505 OE2 GLU A 35 -17.124 16.654 27.824 1.00 50.00 O ATOM 0 H GLU A 35 -13.270 19.336 31.613 1.00 50.00 H new ATOM 0 HA GLU A 35 -12.946 16.939 29.904 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -15.018 18.285 31.127 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -15.046 19.093 29.573 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -14.725 16.226 29.150 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -16.094 16.498 30.209 1.00 50.00 H new ATOM 512 N ASP A 36 -11.761 19.534 28.781 1.00 50.00 N ATOM 513 CA ASP A 36 -11.221 20.204 27.563 1.00 50.00 C ATOM 514 C ASP A 36 -9.692 20.178 27.581 1.00 50.00 C ATOM 515 O ASP A 36 -9.055 19.875 26.592 1.00 50.00 O ATOM 516 CB ASP A 36 -11.735 21.642 27.641 1.00 50.00 C ATOM 517 CG ASP A 36 -13.064 21.752 26.890 1.00 50.00 C ATOM 518 OD1 ASP A 36 -14.071 21.346 27.447 1.00 50.00 O ATOM 519 OD2 ASP A 36 -13.051 22.237 25.772 1.00 50.00 O ATOM 0 H ASP A 36 -11.335 19.824 29.661 1.00 50.00 H new ATOM 0 HA ASP A 36 -11.536 19.709 26.644 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -11.868 21.936 28.682 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -11.003 22.325 27.209 1.00 50.00 H new ATOM 524 N TYR A 37 -9.097 20.492 28.698 1.00 12.50 N ATOM 525 CA TYR A 37 -7.609 20.483 28.776 1.00 12.50 C ATOM 526 C TYR A 37 -7.149 19.750 30.039 1.00 12.50 C ATOM 527 O TYR A 37 -7.682 19.948 31.113 1.00 12.50 O ATOM 528 CB TYR A 37 -7.206 21.956 28.835 1.00 12.50 C ATOM 529 CG TYR A 37 -5.755 22.064 29.242 1.00 12.50 C ATOM 530 CD1 TYR A 37 -4.765 21.441 28.474 1.00 50.00 C ATOM 531 CD2 TYR A 37 -5.402 22.786 30.388 1.00 50.00 C ATOM 532 CE1 TYR A 37 -3.421 21.540 28.851 1.00 50.00 C ATOM 533 CE2 TYR A 37 -4.057 22.886 30.766 1.00 50.00 C ATOM 534 CZ TYR A 37 -3.066 22.262 29.998 1.00 12.50 C ATOM 535 OH TYR A 37 -1.742 22.359 30.371 1.00 50.00 O ATOM 0 H TYR A 37 -9.576 20.754 29.560 1.00 12.50 H new ATOM 0 HA TYR A 37 -7.155 19.970 27.928 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -7.358 22.425 27.863 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -7.836 22.488 29.548 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -5.038 20.884 27.590 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -6.167 23.266 30.981 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -2.657 21.060 28.258 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -3.784 23.444 31.649 1.00 50.00 H new ATOM 0 HH TYR A 37 -1.200 22.607 29.593 1.00 50.00 H new ATOM 545 N GLY A 38 -6.161 18.906 29.918 1.00 10.00 N ATOM 546 CA GLY A 38 -5.667 18.161 31.110 1.00 10.00 C ATOM 547 C GLY A 38 -4.636 17.121 30.667 1.00 10.00 C ATOM 548 O GLY A 38 -4.512 16.815 29.498 1.00 10.00 O ATOM 0 H GLY A 38 -5.675 18.700 29.045 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -5.219 18.852 31.825 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -6.499 17.672 31.617 1.00 10.00 H new ATOM 552 N THR A 39 -3.894 16.574 31.591 1.00 10.00 N ATOM 553 CA THR A 39 -2.873 15.553 31.218 1.00 10.00 C ATOM 554 C THR A 39 -3.483 14.150 31.266 1.00 10.00 C ATOM 555 O THR A 39 -3.874 13.670 32.312 1.00 10.00 O ATOM 556 CB THR A 39 -1.767 15.695 32.264 1.00 50.00 C ATOM 557 OG1 THR A 39 -1.134 16.958 32.113 1.00 50.00 O ATOM 558 CG2 THR A 39 -0.737 14.580 32.074 1.00 50.00 C ATOM 0 H THR A 39 -3.950 16.789 32.586 1.00 10.00 H new ATOM 0 HA THR A 39 -2.496 15.699 30.206 1.00 10.00 H new ATOM 0 HB THR A 39 -2.199 15.622 33.262 1.00 50.00 H new ATOM 0 HG1 THR A 39 -1.079 17.185 31.161 1.00 50.00 H new ATOM 0 HG21 THR A 39 0.051 14.682 32.820 1.00 50.00 H new ATOM 0 HG22 THR A 39 -1.224 13.612 32.190 1.00 50.00 H new ATOM 0 HG23 THR A 39 -0.304 14.651 31.076 1.00 50.00 H new ATOM 566 N MET A 40 -3.570 13.489 30.144 1.00 10.00 N ATOM 567 CA MET A 40 -4.159 12.119 30.133 1.00 10.00 C ATOM 568 C MET A 40 -3.091 11.079 30.482 1.00 10.00 C ATOM 569 O MET A 40 -2.330 10.650 29.638 1.00 10.00 O ATOM 570 CB MET A 40 -4.659 11.907 28.704 1.00 10.00 C ATOM 571 CG MET A 40 -5.871 10.972 28.723 1.00 10.00 C ATOM 572 SD MET A 40 -7.376 11.929 28.417 1.00 12.50 S ATOM 573 CE MET A 40 -8.265 11.434 29.913 1.00 50.00 C ATOM 0 H MET A 40 -3.260 13.837 29.237 1.00 10.00 H new ATOM 0 HA MET A 40 -4.960 12.014 30.865 1.00 10.00 H new ATOM 0 HB2 MET A 40 -4.930 12.863 28.256 1.00 10.00 H new ATOM 0 HB3 MET A 40 -3.866 11.481 28.089 1.00 10.00 H new ATOM 0 HG2 MET A 40 -5.759 10.198 27.964 1.00 10.00 H new ATOM 0 HG3 MET A 40 -5.938 10.466 29.686 1.00 10.00 H new ATOM 0 HE1 MET A 40 -9.300 11.770 29.849 1.00 50.00 H new ATOM 0 HE2 MET A 40 -8.241 10.348 30.008 1.00 50.00 H new ATOM 0 HE3 MET A 40 -7.790 11.885 30.784 1.00 50.00 H new ATOM 583 N GLU A 41 -3.032 10.666 31.719 1.00 10.00 N ATOM 584 CA GLU A 41 -2.016 9.650 32.117 1.00 10.00 C ATOM 585 C GLU A 41 -2.628 8.248 32.059 1.00 10.00 C ATOM 586 O GLU A 41 -3.425 7.874 32.896 1.00 10.00 O ATOM 587 CB GLU A 41 -1.635 10.011 33.553 1.00 10.00 C ATOM 588 CG GLU A 41 -0.575 9.033 34.062 1.00 10.00 C ATOM 589 CD GLU A 41 -0.444 9.165 35.580 1.00 12.50 C ATOM 590 OE1 GLU A 41 -0.952 10.136 36.117 1.00 12.50 O ATOM 591 OE2 GLU A 41 0.163 8.293 36.181 1.00 12.50 O ATOM 0 H GLU A 41 -3.642 10.988 32.470 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.149 9.648 31.456 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.253 11.031 33.593 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -2.516 9.975 34.194 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -0.851 8.012 33.798 1.00 10.00 H new ATOM 0 HG3 GLU A 41 0.383 9.238 33.585 1.00 10.00 H new ATOM 598 N VAL A 42 -2.266 7.470 31.076 1.00 10.00 N ATOM 599 CA VAL A 42 -2.835 6.096 30.968 1.00 10.00 C ATOM 600 C VAL A 42 -1.720 5.050 31.059 1.00 10.00 C ATOM 601 O VAL A 42 -0.576 5.319 30.753 1.00 10.00 O ATOM 602 CB VAL A 42 -3.504 6.051 29.594 1.00 10.00 C ATOM 603 CG1 VAL A 42 -4.412 7.271 29.428 1.00 10.00 C ATOM 604 CG2 VAL A 42 -2.432 6.060 28.503 1.00 10.00 C ATOM 0 H VAL A 42 -1.603 7.725 30.344 1.00 10.00 H new ATOM 0 HA VAL A 42 -3.539 5.877 31.771 1.00 10.00 H new ATOM 0 HB VAL A 42 -4.099 5.142 29.510 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -4.889 7.239 28.448 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -5.177 7.264 30.204 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -3.818 8.181 29.513 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -2.909 6.028 27.524 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -1.836 6.969 28.586 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -1.786 5.190 28.620 1.00 10.00 H new ATOM 614 N ALA A 43 -2.048 3.858 31.479 1.00 10.00 N ATOM 615 CA ALA A 43 -1.010 2.795 31.590 1.00 10.00 C ATOM 616 C ALA A 43 -0.526 2.381 30.198 1.00 10.00 C ATOM 617 O ALA A 43 -1.307 2.208 29.285 1.00 10.00 O ATOM 618 CB ALA A 43 -1.713 1.626 32.282 1.00 50.00 C ATOM 0 H ALA A 43 -2.990 3.575 31.750 1.00 10.00 H new ATOM 0 HA ALA A 43 -0.133 3.130 32.144 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -1.013 0.799 32.401 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -2.069 1.944 33.262 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -2.559 1.300 31.677 1.00 50.00 H new ATOM 624 N GLU A 44 0.758 2.220 30.030 1.00 10.00 N ATOM 625 CA GLU A 44 1.290 1.816 28.698 1.00 10.00 C ATOM 626 C GLU A 44 0.589 0.547 28.214 1.00 10.00 C ATOM 627 O GLU A 44 0.712 -0.508 28.804 1.00 10.00 O ATOM 628 CB GLU A 44 2.779 1.555 28.927 1.00 10.00 C ATOM 629 CG GLU A 44 3.587 2.167 27.780 1.00 10.00 C ATOM 630 CD GLU A 44 4.241 1.050 26.960 1.00 25.00 C ATOM 631 OE1 GLU A 44 4.286 -0.068 27.447 1.00 25.00 O ATOM 632 OE2 GLU A 44 4.686 1.333 25.860 1.00 25.00 O ATOM 0 H GLU A 44 1.461 2.351 30.757 1.00 10.00 H new ATOM 0 HA GLU A 44 1.125 2.579 27.938 1.00 10.00 H new ATOM 0 HB2 GLU A 44 3.093 1.986 29.878 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.966 0.483 28.986 1.00 10.00 H new ATOM 0 HG2 GLU A 44 2.937 2.767 27.143 1.00 10.00 H new ATOM 0 HG3 GLU A 44 4.351 2.836 28.176 1.00 10.00 H new ATOM 639 N GLY A 45 -0.150 0.642 27.144 1.00 10.00 N ATOM 640 CA GLY A 45 -0.863 -0.556 26.621 1.00 10.00 C ATOM 641 C GLY A 45 -2.372 -0.346 26.761 1.00 10.00 C ATOM 642 O GLY A 45 -3.157 -1.252 26.560 1.00 10.00 O ATOM 0 H GLY A 45 -0.291 1.499 26.609 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -0.602 -0.721 25.576 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -0.555 -1.446 27.171 1.00 10.00 H new ATOM 646 N GLU A 46 -2.786 0.843 27.106 1.00 10.00 N ATOM 647 CA GLU A 46 -4.245 1.109 27.260 1.00 10.00 C ATOM 648 C GLU A 46 -4.707 2.140 26.226 1.00 10.00 C ATOM 649 O GLU A 46 -3.960 3.012 25.827 1.00 10.00 O ATOM 650 CB GLU A 46 -4.399 1.664 28.677 1.00 10.00 C ATOM 651 CG GLU A 46 -4.309 0.516 29.684 1.00 10.00 C ATOM 652 CD GLU A 46 -5.054 0.900 30.964 1.00 10.00 C ATOM 653 OE1 GLU A 46 -5.402 2.062 31.097 1.00 10.00 O ATOM 654 OE2 GLU A 46 -5.264 0.026 31.788 1.00 10.00 O ATOM 0 H GLU A 46 -2.178 1.641 27.288 1.00 10.00 H new ATOM 0 HA GLU A 46 -4.847 0.213 27.105 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -3.621 2.400 28.878 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -5.356 2.176 28.777 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -4.740 -0.390 29.258 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.265 0.297 29.910 1.00 10.00 H new ATOM 661 N TYR A 47 -5.934 2.049 25.791 1.00 10.00 N ATOM 662 CA TYR A 47 -6.442 3.025 24.785 1.00 10.00 C ATOM 663 C TYR A 47 -6.812 4.342 25.472 1.00 10.00 C ATOM 664 O TYR A 47 -7.585 4.370 26.409 1.00 10.00 O ATOM 665 CB TYR A 47 -7.683 2.365 24.184 1.00 10.00 C ATOM 666 CG TYR A 47 -7.367 0.935 23.812 1.00 10.00 C ATOM 667 CD1 TYR A 47 -6.051 0.560 23.516 1.00 10.00 C ATOM 668 CD2 TYR A 47 -8.393 -0.015 23.762 1.00 10.00 C ATOM 669 CE1 TYR A 47 -5.762 -0.766 23.171 1.00 10.00 C ATOM 670 CE2 TYR A 47 -8.104 -1.342 23.417 1.00 10.00 C ATOM 671 CZ TYR A 47 -6.788 -1.717 23.121 1.00 10.00 C ATOM 672 OH TYR A 47 -6.502 -3.023 22.782 1.00 10.00 O ATOM 0 H TYR A 47 -6.606 1.342 26.088 1.00 10.00 H new ATOM 0 HA TYR A 47 -5.699 3.261 24.023 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.504 2.392 24.900 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -8.010 2.917 23.303 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -5.259 1.293 23.554 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.408 0.275 23.989 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -4.747 -1.055 22.943 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -8.896 -2.075 23.379 1.00 10.00 H new ATOM 0 HH TYR A 47 -7.326 -3.553 22.796 1.00 10.00 H new ATOM 682 N ILE A 48 -6.262 5.434 25.017 1.00 10.00 N ATOM 683 CA ILE A 48 -6.581 6.748 25.649 1.00 10.00 C ATOM 684 C ILE A 48 -8.094 6.901 25.832 1.00 10.00 C ATOM 685 O ILE A 48 -8.575 7.139 26.922 1.00 10.00 O ATOM 686 CB ILE A 48 -6.049 7.799 24.674 1.00 10.00 C ATOM 687 CG1 ILE A 48 -4.522 7.734 24.636 1.00 10.00 C ATOM 688 CG2 ILE A 48 -6.489 9.190 25.135 1.00 10.00 C ATOM 689 CD1 ILE A 48 -4.011 8.477 23.401 1.00 10.00 C ATOM 0 H ILE A 48 -5.607 5.475 24.237 1.00 10.00 H new ATOM 0 HA ILE A 48 -6.133 6.846 26.638 1.00 10.00 H new ATOM 0 HB ILE A 48 -6.445 7.604 23.677 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -4.106 8.179 25.540 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -4.192 6.695 24.611 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.110 9.940 24.441 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -7.578 9.237 25.162 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -6.093 9.385 26.132 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -2.922 8.431 23.373 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -4.417 8.012 22.503 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -4.329 9.519 23.445 1.00 10.00 H new ATOM 701 N LEU A 49 -8.847 6.773 24.774 1.00 10.00 N ATOM 702 CA LEU A 49 -10.328 6.917 24.894 1.00 10.00 C ATOM 703 C LEU A 49 -10.843 6.118 26.094 1.00 10.00 C ATOM 704 O LEU A 49 -11.766 6.524 26.771 1.00 10.00 O ATOM 705 CB LEU A 49 -10.891 6.352 23.590 1.00 10.00 C ATOM 706 CG LEU A 49 -12.396 6.123 23.744 1.00 10.00 C ATOM 707 CD1 LEU A 49 -13.147 6.919 22.674 1.00 10.00 C ATOM 708 CD2 LEU A 49 -12.704 4.633 23.580 1.00 10.00 C ATOM 0 H LEU A 49 -8.504 6.576 23.834 1.00 10.00 H new ATOM 0 HA LEU A 49 -10.629 7.953 25.051 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -10.699 7.042 22.769 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -10.393 5.415 23.342 1.00 10.00 H new ATOM 0 HG LEU A 49 -12.714 6.454 24.733 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -14.219 6.755 22.784 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -12.928 7.981 22.790 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -12.829 6.589 21.685 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -13.776 4.469 23.690 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -12.385 4.302 22.591 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -12.170 4.065 24.342 1.00 10.00 H new ATOM 720 N GLU A 50 -10.254 4.984 26.365 1.00 10.00 N ATOM 721 CA GLU A 50 -10.715 4.165 27.522 1.00 10.00 C ATOM 722 C GLU A 50 -10.329 4.846 28.838 1.00 10.00 C ATOM 723 O GLU A 50 -11.144 5.011 29.725 1.00 10.00 O ATOM 724 CB GLU A 50 -9.990 2.827 27.376 1.00 10.00 C ATOM 725 CG GLU A 50 -11.016 1.709 27.184 1.00 10.00 C ATOM 726 CD GLU A 50 -11.396 1.127 28.548 1.00 50.00 C ATOM 727 OE1 GLU A 50 -12.280 1.679 29.180 1.00 50.00 O ATOM 728 OE2 GLU A 50 -10.796 0.137 28.935 1.00 50.00 O ATOM 0 H GLU A 50 -9.475 4.591 25.836 1.00 10.00 H new ATOM 0 HA GLU A 50 -11.798 4.041 27.535 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -9.310 2.861 26.525 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.384 2.631 28.261 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -11.903 2.096 26.682 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -10.604 0.928 26.545 1.00 10.00 H new ATOM 735 N ALA A 51 -9.093 5.243 28.974 1.00 10.00 N ATOM 736 CA ALA A 51 -8.660 5.914 30.233 1.00 10.00 C ATOM 737 C ALA A 51 -9.577 7.097 30.542 1.00 10.00 C ATOM 738 O ALA A 51 -9.991 7.302 31.665 1.00 10.00 O ATOM 739 CB ALA A 51 -7.233 6.396 29.960 1.00 12.50 C ATOM 0 H ALA A 51 -8.365 5.132 28.268 1.00 10.00 H new ATOM 0 HA ALA A 51 -8.704 5.245 31.092 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -6.845 6.902 30.844 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -6.599 5.541 29.723 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -7.238 7.088 29.118 1.00 12.50 H new ATOM 745 N ALA A 52 -9.896 7.874 29.550 1.00 10.00 N ATOM 746 CA ALA A 52 -10.789 9.047 29.771 1.00 10.00 C ATOM 747 C ALA A 52 -12.250 8.595 29.821 1.00 10.00 C ATOM 748 O ALA A 52 -13.068 9.167 30.513 1.00 10.00 O ATOM 749 CB ALA A 52 -10.548 9.963 28.571 1.00 10.00 C ATOM 0 H ALA A 52 -9.577 7.749 28.589 1.00 10.00 H new ATOM 0 HA ALA A 52 -10.582 9.553 30.714 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -11.172 10.852 28.661 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -9.499 10.257 28.543 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -10.801 9.434 27.652 1.00 10.00 H new ATOM 755 N GLU A 53 -12.582 7.571 29.088 1.00 10.00 N ATOM 756 CA GLU A 53 -13.988 7.078 29.085 1.00 10.00 C ATOM 757 C GLU A 53 -14.445 6.771 30.512 1.00 10.00 C ATOM 758 O GLU A 53 -15.598 6.936 30.857 1.00 10.00 O ATOM 759 CB GLU A 53 -13.956 5.802 28.242 1.00 10.00 C ATOM 760 CG GLU A 53 -15.227 4.987 28.494 1.00 10.00 C ATOM 761 CD GLU A 53 -14.930 3.882 29.511 1.00 10.00 C ATOM 762 OE1 GLU A 53 -13.765 3.671 29.803 1.00 10.00 O ATOM 763 OE2 GLU A 53 -15.873 3.265 29.978 1.00 10.00 O ATOM 0 H GLU A 53 -11.940 7.052 28.489 1.00 10.00 H new ATOM 0 HA GLU A 53 -14.684 7.814 28.684 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -13.878 6.055 27.185 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -13.076 5.210 28.494 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -16.020 5.635 28.866 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -15.584 4.551 27.561 1.00 10.00 H new ATOM 770 N ALA A 54 -13.547 6.322 31.341 1.00 10.00 N ATOM 771 CA ALA A 54 -13.923 5.999 32.748 1.00 10.00 C ATOM 772 C ALA A 54 -14.072 7.283 33.570 1.00 10.00 C ATOM 773 O ALA A 54 -14.540 7.262 34.690 1.00 10.00 O ATOM 774 CB ALA A 54 -12.768 5.152 33.280 1.00 50.00 C ATOM 0 H ALA A 54 -12.567 6.164 31.107 1.00 10.00 H new ATOM 0 HA ALA A 54 -14.877 5.475 32.809 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -12.968 4.872 34.314 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -12.667 4.252 32.673 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -11.843 5.727 33.232 1.00 50.00 H new ATOM 780 N GLN A 55 -13.675 8.399 33.023 1.00 10.00 N ATOM 781 CA GLN A 55 -13.793 9.680 33.777 1.00 10.00 C ATOM 782 C GLN A 55 -14.978 10.497 33.253 1.00 10.00 C ATOM 783 O GLN A 55 -15.567 11.283 33.969 1.00 10.00 O ATOM 784 CB GLN A 55 -12.478 10.413 33.517 1.00 10.00 C ATOM 785 CG GLN A 55 -11.357 9.747 34.318 1.00 10.00 C ATOM 786 CD GLN A 55 -10.559 10.819 35.063 1.00 10.00 C ATOM 787 OE1 GLN A 55 -11.128 11.700 35.677 1.00 10.00 O ATOM 788 NE2 GLN A 55 -9.255 10.780 35.036 1.00 10.00 N ATOM 0 H GLN A 55 -13.275 8.480 32.088 1.00 10.00 H new ATOM 0 HA GLN A 55 -13.967 9.519 34.841 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -12.242 10.392 32.453 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -12.571 11.461 33.802 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.776 9.032 35.026 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -10.701 9.188 33.651 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -8.777 10.041 34.521 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -8.713 11.489 35.530 1.00 10.00 H new ATOM 797 N GLY A 56 -15.334 10.315 32.011 1.00 10.00 N ATOM 798 CA GLY A 56 -16.480 11.080 31.446 1.00 10.00 C ATOM 799 C GLY A 56 -15.999 11.935 30.272 1.00 10.00 C ATOM 800 O GLY A 56 -16.551 12.979 29.985 1.00 10.00 O ATOM 0 H GLY A 56 -14.881 9.670 31.364 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -17.259 10.394 31.114 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -16.920 11.715 32.215 1.00 10.00 H new ATOM 804 N TYR A 57 -14.974 11.503 29.589 1.00 10.00 N ATOM 805 CA TYR A 57 -14.462 12.294 28.433 1.00 10.00 C ATOM 806 C TYR A 57 -15.207 11.905 27.152 1.00 10.00 C ATOM 807 O TYR A 57 -15.410 10.740 26.871 1.00 10.00 O ATOM 808 CB TYR A 57 -12.982 11.926 28.323 1.00 10.00 C ATOM 809 CG TYR A 57 -12.193 12.677 29.369 1.00 10.00 C ATOM 810 CD1 TYR A 57 -11.837 14.012 29.151 1.00 10.00 C ATOM 811 CD2 TYR A 57 -11.816 12.036 30.555 1.00 10.00 C ATOM 812 CE1 TYR A 57 -11.103 14.707 30.120 1.00 12.50 C ATOM 813 CE2 TYR A 57 -11.082 12.731 31.523 1.00 12.50 C ATOM 814 CZ TYR A 57 -10.726 14.066 31.306 1.00 12.50 C ATOM 815 OH TYR A 57 -10.002 14.752 32.261 1.00 12.50 O ATOM 0 H TYR A 57 -14.469 10.638 29.781 1.00 10.00 H new ATOM 0 HA TYR A 57 -14.607 13.365 28.572 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -12.853 10.852 28.458 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -12.610 12.169 27.328 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -12.128 14.506 28.236 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -12.091 11.005 30.723 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -10.828 15.738 29.952 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -10.790 12.236 32.438 1.00 12.50 H new ATOM 0 HH TYR A 57 -9.530 15.500 31.839 1.00 12.50 H new ATOM 825 N ASP A 58 -15.615 12.870 26.375 1.00 10.00 N ATOM 826 CA ASP A 58 -16.344 12.552 25.113 1.00 10.00 C ATOM 827 C ASP A 58 -15.386 12.617 23.919 1.00 10.00 C ATOM 828 O ASP A 58 -14.424 13.359 23.923 1.00 10.00 O ATOM 829 CB ASP A 58 -17.421 13.631 24.996 1.00 10.00 C ATOM 830 CG ASP A 58 -18.349 13.303 23.825 1.00 10.00 C ATOM 831 OD1 ASP A 58 -17.998 13.637 22.704 1.00 10.00 O ATOM 832 OD2 ASP A 58 -19.394 12.723 24.067 1.00 10.00 O ATOM 0 H ASP A 58 -15.476 13.864 26.558 1.00 10.00 H new ATOM 0 HA ASP A 58 -16.771 11.549 25.123 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -17.993 13.690 25.922 1.00 10.00 H new ATOM 0 HB3 ASP A 58 -16.958 14.606 24.845 1.00 10.00 H new ATOM 837 N TRP A 59 -15.643 11.845 22.897 1.00 10.00 N ATOM 838 CA TRP A 59 -14.745 11.865 21.706 1.00 10.00 C ATOM 839 C TRP A 59 -15.563 11.697 20.423 1.00 10.00 C ATOM 840 O TRP A 59 -16.677 11.214 20.453 1.00 10.00 O ATOM 841 CB TRP A 59 -13.803 10.677 21.898 1.00 10.00 C ATOM 842 CG TRP A 59 -13.073 10.824 23.194 1.00 10.00 C ATOM 843 CD1 TRP A 59 -13.575 10.503 24.408 1.00 10.00 C ATOM 844 CD2 TRP A 59 -11.724 11.323 23.426 1.00 10.00 C ATOM 845 NE1 TRP A 59 -12.621 10.773 25.371 1.00 50.00 N ATOM 846 CE2 TRP A 59 -11.462 11.279 24.817 1.00 50.00 C ATOM 847 CE3 TRP A 59 -10.712 11.803 22.576 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -10.240 11.698 25.344 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -9.481 12.226 23.103 1.00 50.00 C ATOM 850 CH2 TRP A 59 -9.245 12.173 24.485 1.00 50.00 C ATOM 0 H TRP A 59 -16.433 11.203 22.835 1.00 10.00 H new ATOM 0 HA TRP A 59 -14.202 12.806 21.616 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -14.369 9.746 21.891 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -13.093 10.625 21.072 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -14.560 10.101 24.595 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -12.757 10.617 26.370 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -10.883 11.847 21.510 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -10.064 11.656 26.409 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -8.712 12.594 22.441 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -8.296 12.499 24.884 1.00 50.00 H new ATOM 861 N PRO A 60 -14.973 12.105 19.333 1.00 10.00 N ATOM 862 CA PRO A 60 -15.646 12.001 18.015 1.00 10.00 C ATOM 863 C PRO A 60 -15.692 10.540 17.553 1.00 10.00 C ATOM 864 O PRO A 60 -14.973 10.137 16.661 1.00 10.00 O ATOM 865 CB PRO A 60 -14.760 12.835 17.094 1.00 10.00 C ATOM 866 CG PRO A 60 -13.410 12.823 17.741 1.00 10.00 C ATOM 867 CD PRO A 60 -13.634 12.696 19.227 1.00 10.00 C ATOM 0 HA PRO A 60 -16.679 12.347 18.032 1.00 10.00 H new ATOM 0 HB2 PRO A 60 -14.721 12.409 16.091 1.00 10.00 H new ATOM 0 HB3 PRO A 60 -15.141 13.851 16.994 1.00 10.00 H new ATOM 0 HG2 PRO A 60 -12.811 11.992 17.369 1.00 10.00 H new ATOM 0 HG3 PRO A 60 -12.864 13.737 17.510 1.00 10.00 H new ATOM 0 HD2 PRO A 60 -12.879 12.062 19.692 1.00 10.00 H new ATOM 0 HD3 PRO A 60 -13.585 13.666 19.723 1.00 10.00 H new ATOM 875 N PHE A 61 -16.532 9.746 18.158 1.00 10.00 N ATOM 876 CA PHE A 61 -16.628 8.311 17.759 1.00 10.00 C ATOM 877 C PHE A 61 -17.192 8.194 16.339 1.00 10.00 C ATOM 878 O PHE A 61 -18.380 8.333 16.120 1.00 10.00 O ATOM 879 CB PHE A 61 -17.588 7.688 18.775 1.00 10.00 C ATOM 880 CG PHE A 61 -17.703 6.200 18.532 1.00 10.00 C ATOM 881 CD1 PHE A 61 -16.612 5.481 18.029 1.00 10.00 C ATOM 882 CD2 PHE A 61 -18.906 5.541 18.815 1.00 10.00 C ATOM 883 CE1 PHE A 61 -16.723 4.102 17.810 1.00 10.00 C ATOM 884 CE2 PHE A 61 -19.018 4.163 18.595 1.00 10.00 C ATOM 885 CZ PHE A 61 -17.927 3.444 18.093 1.00 10.00 C ATOM 0 H PHE A 61 -17.157 10.028 18.913 1.00 10.00 H new ATOM 0 HA PHE A 61 -15.658 7.813 17.754 1.00 10.00 H new ATOM 0 HB2 PHE A 61 -17.229 7.873 19.788 1.00 10.00 H new ATOM 0 HB3 PHE A 61 -18.570 8.155 18.694 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -15.685 5.990 17.810 1.00 10.00 H new ATOM 0 HD2 PHE A 61 -19.747 6.096 19.203 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -15.881 3.547 17.423 1.00 10.00 H new ATOM 0 HE2 PHE A 61 -19.946 3.655 18.813 1.00 10.00 H new ATOM 0 HZ PHE A 61 -18.013 2.381 17.924 1.00 10.00 H new ATOM 895 N SER A 62 -16.351 7.942 15.374 1.00 10.00 N ATOM 896 CA SER A 62 -16.842 7.820 13.971 1.00 10.00 C ATOM 897 C SER A 62 -16.117 6.680 13.248 1.00 10.00 C ATOM 898 O SER A 62 -15.934 6.713 12.048 1.00 10.00 O ATOM 899 CB SER A 62 -16.512 9.162 13.318 1.00 10.00 C ATOM 900 OG SER A 62 -16.700 9.063 11.914 1.00 10.00 O ATOM 0 H SER A 62 -15.346 7.815 15.495 1.00 10.00 H new ATOM 0 HA SER A 62 -17.907 7.594 13.927 1.00 10.00 H new ATOM 0 HB2 SER A 62 -17.151 9.945 13.727 1.00 10.00 H new ATOM 0 HB3 SER A 62 -15.482 9.443 13.539 1.00 10.00 H new ATOM 0 HG SER A 62 -16.142 8.339 11.559 1.00 10.00 H new ATOM 906 N CYS A 63 -15.705 5.672 13.967 1.00 10.00 N ATOM 907 CA CYS A 63 -14.996 4.535 13.313 1.00 10.00 C ATOM 908 C CYS A 63 -15.987 3.697 12.498 1.00 10.00 C ATOM 909 O CYS A 63 -17.109 4.101 12.267 1.00 10.00 O ATOM 910 CB CYS A 63 -14.414 3.714 14.465 1.00 10.00 C ATOM 911 SG CYS A 63 -12.622 3.568 14.255 1.00 10.00 S ATOM 0 H CYS A 63 -15.828 5.586 14.976 1.00 10.00 H new ATOM 0 HA CYS A 63 -14.221 4.870 12.624 1.00 10.00 H new ATOM 0 HB2 CYS A 63 -14.642 4.192 15.418 1.00 10.00 H new ATOM 0 HB3 CYS A 63 -14.870 2.724 14.488 1.00 10.00 H new ATOM 916 N ARG A 64 -15.582 2.536 12.062 1.00 10.00 N ATOM 917 CA ARG A 64 -16.506 1.681 11.261 1.00 10.00 C ATOM 918 C ARG A 64 -15.982 0.245 11.197 1.00 10.00 C ATOM 919 O ARG A 64 -16.052 -0.406 10.173 1.00 10.00 O ATOM 920 CB ARG A 64 -16.518 2.310 9.868 1.00 10.00 C ATOM 921 CG ARG A 64 -17.680 1.733 9.056 1.00 10.00 C ATOM 922 CD ARG A 64 -18.823 2.748 9.007 1.00 10.00 C ATOM 923 NE ARG A 64 -18.261 3.922 8.282 1.00 10.00 N ATOM 924 CZ ARG A 64 -18.582 5.131 8.650 1.00 10.00 C ATOM 925 NH1 ARG A 64 -19.825 5.422 8.921 1.00 10.00 N ATOM 926 NH2 ARG A 64 -17.660 6.050 8.749 1.00 10.00 N ATOM 0 H ARG A 64 -14.655 2.143 12.224 1.00 10.00 H new ATOM 0 HA ARG A 64 -17.504 1.633 11.697 1.00 10.00 H new ATOM 0 HB2 ARG A 64 -16.618 3.392 9.947 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -15.573 2.114 9.361 1.00 10.00 H new ATOM 0 HG2 ARG A 64 -17.348 1.494 8.046 1.00 10.00 H new ATOM 0 HG3 ARG A 64 -18.025 0.802 9.506 1.00 10.00 H new ATOM 0 HD2 ARG A 64 -19.691 2.341 8.488 1.00 10.00 H new ATOM 0 HD3 ARG A 64 -19.151 3.023 10.010 1.00 10.00 H new ATOM 0 HE ARG A 64 -17.625 3.780 7.497 1.00 10.00 H new ATOM 0 HH11 ARG A 64 -20.545 4.704 8.845 1.00 10.00 H new ATOM 0 HH12 ARG A 64 -20.076 6.368 9.209 1.00 10.00 H new ATOM 0 HH21 ARG A 64 -16.688 5.822 8.538 1.00 10.00 H new ATOM 0 HH22 ARG A 64 -17.911 6.996 9.037 1.00 10.00 H new ATOM 940 N ALA A 65 -15.456 -0.257 12.280 1.00 10.00 N ATOM 941 CA ALA A 65 -14.929 -1.652 12.274 1.00 10.00 C ATOM 942 C ALA A 65 -14.113 -1.900 11.004 1.00 10.00 C ATOM 943 O ALA A 65 -14.636 -2.318 9.990 1.00 10.00 O ATOM 944 CB ALA A 65 -16.171 -2.544 12.300 1.00 10.00 C ATOM 0 H ALA A 65 -15.368 0.237 13.168 1.00 10.00 H new ATOM 0 HA ALA A 65 -14.269 -1.850 13.119 1.00 10.00 H new ATOM 0 HB1 ALA A 65 -15.867 -3.591 12.297 1.00 10.00 H new ATOM 0 HB2 ALA A 65 -16.749 -2.336 13.200 1.00 10.00 H new ATOM 0 HB3 ALA A 65 -16.783 -2.341 11.421 1.00 10.00 H new ATOM 950 N GLY A 66 -12.834 -1.641 11.050 1.00 10.00 N ATOM 951 CA GLY A 66 -11.985 -1.857 9.846 1.00 10.00 C ATOM 952 C GLY A 66 -11.247 -0.559 9.512 1.00 10.00 C ATOM 953 O GLY A 66 -10.253 -0.223 10.125 1.00 10.00 O ATOM 0 H GLY A 66 -12.341 -1.289 11.871 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -11.270 -2.659 10.029 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -12.602 -2.166 9.002 1.00 10.00 H new ATOM 957 N ALA A 67 -11.727 0.177 8.547 1.00 10.00 N ATOM 958 CA ALA A 67 -11.055 1.456 8.181 1.00 10.00 C ATOM 959 C ALA A 67 -11.619 2.604 9.024 1.00 10.00 C ATOM 960 O ALA A 67 -12.616 2.454 9.702 1.00 10.00 O ATOM 961 CB ALA A 67 -11.381 1.668 6.702 1.00 10.00 C ATOM 0 H ALA A 67 -12.555 -0.052 7.997 1.00 10.00 H new ATOM 0 HA ALA A 67 -9.980 1.425 8.359 1.00 10.00 H new ATOM 0 HB1 ALA A 67 -10.920 2.593 6.357 1.00 10.00 H new ATOM 0 HB2 ALA A 67 -10.995 0.831 6.121 1.00 10.00 H new ATOM 0 HB3 ALA A 67 -12.461 1.731 6.573 1.00 10.00 H new ATOM 967 N CYS A 68 -10.990 3.746 8.989 1.00 10.00 N ATOM 968 CA CYS A 68 -11.495 4.896 9.792 1.00 10.00 C ATOM 969 C CYS A 68 -11.024 6.218 9.180 1.00 10.00 C ATOM 970 O CYS A 68 -11.755 6.878 8.467 1.00 10.00 O ATOM 971 CB CYS A 68 -10.896 4.700 11.185 1.00 10.00 C ATOM 972 SG CYS A 68 -11.216 6.170 12.189 1.00 10.00 S ATOM 0 H CYS A 68 -10.150 3.933 8.441 1.00 10.00 H new ATOM 0 HA CYS A 68 -12.584 4.934 9.821 1.00 10.00 H new ATOM 0 HB2 CYS A 68 -11.331 3.820 11.659 1.00 10.00 H new ATOM 0 HB3 CYS A 68 -9.823 4.524 11.110 1.00 10.00 H new ATOM 977 N ALA A 69 -9.810 6.613 9.452 1.00 10.00 N ATOM 978 CA ALA A 69 -9.297 7.893 8.882 1.00 10.00 C ATOM 979 C ALA A 69 -10.334 9.006 9.056 1.00 10.00 C ATOM 980 O ALA A 69 -10.360 9.967 8.314 1.00 10.00 O ATOM 981 CB ALA A 69 -9.068 7.603 7.398 1.00 25.00 C ATOM 0 H ALA A 69 -9.151 6.106 10.043 1.00 10.00 H new ATOM 0 HA ALA A 69 -8.386 8.228 9.378 1.00 10.00 H new ATOM 0 HB1 ALA A 69 -8.689 8.499 6.906 1.00 25.00 H new ATOM 0 HB2 ALA A 69 -8.342 6.797 7.293 1.00 25.00 H new ATOM 0 HB3 ALA A 69 -10.009 7.306 6.936 1.00 25.00 H new ATOM 987 N ASN A 70 -11.190 8.883 10.033 1.00 10.00 N ATOM 988 CA ASN A 70 -12.226 9.931 10.257 1.00 10.00 C ATOM 989 C ASN A 70 -12.195 10.404 11.715 1.00 10.00 C ATOM 990 O ASN A 70 -12.981 11.236 12.124 1.00 10.00 O ATOM 991 CB ASN A 70 -13.556 9.246 9.945 1.00 50.00 C ATOM 992 CG ASN A 70 -14.143 9.828 8.657 1.00 50.00 C ATOM 993 OD1 ASN A 70 -14.694 10.911 8.663 1.00 50.00 O ATOM 994 ND2 ASN A 70 -14.048 9.150 7.546 1.00 50.00 N ATOM 0 H ASN A 70 -11.217 8.101 10.687 1.00 10.00 H new ATOM 0 HA ASN A 70 -12.064 10.811 9.634 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -13.407 8.172 9.836 1.00 50.00 H new ATOM 0 HB3 ASN A 70 -14.253 9.388 10.771 1.00 50.00 H new ATOM 0 HD21 ASN A 70 -14.436 9.529 6.682 1.00 50.00 H new ATOM 0 HD22 ASN A 70 -13.585 8.241 7.541 1.00 50.00 H new ATOM 1001 N CYS A 71 -11.295 9.879 12.502 1.00 10.00 N ATOM 1002 CA CYS A 71 -11.219 10.299 13.933 1.00 10.00 C ATOM 1003 C CYS A 71 -10.988 11.810 14.029 1.00 10.00 C ATOM 1004 O CYS A 71 -11.247 12.546 13.098 1.00 10.00 O ATOM 1005 CB CYS A 71 -10.027 9.534 14.508 1.00 10.00 C ATOM 1006 SG CYS A 71 -10.353 9.121 16.240 1.00 10.00 S ATOM 0 H CYS A 71 -10.610 9.179 12.218 1.00 10.00 H new ATOM 0 HA CYS A 71 -12.139 10.085 14.476 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -9.853 8.625 13.933 1.00 10.00 H new ATOM 0 HB3 CYS A 71 -9.123 10.138 14.431 1.00 10.00 H new ATOM 1011 N ALA A 72 -10.505 12.281 15.148 1.00 10.00 N ATOM 1012 CA ALA A 72 -10.265 13.746 15.292 1.00 10.00 C ATOM 1013 C ALA A 72 -9.302 14.024 16.452 1.00 10.00 C ATOM 1014 O ALA A 72 -9.714 14.284 17.566 1.00 10.00 O ATOM 1015 CB ALA A 72 -11.641 14.345 15.584 1.00 10.00 C ATOM 0 H ALA A 72 -10.267 11.718 15.965 1.00 10.00 H new ATOM 0 HA ALA A 72 -9.811 14.175 14.399 1.00 10.00 H new ATOM 0 HB1 ALA A 72 -11.550 15.425 15.704 1.00 10.00 H new ATOM 0 HB2 ALA A 72 -12.316 14.127 14.756 1.00 10.00 H new ATOM 0 HB3 ALA A 72 -12.040 13.911 16.501 1.00 10.00 H new ATOM 1021 N SER A 73 -8.025 13.981 16.194 1.00 10.00 N ATOM 1022 CA SER A 73 -7.030 14.253 17.273 1.00 10.00 C ATOM 1023 C SER A 73 -5.780 14.898 16.667 1.00 10.00 C ATOM 1024 O SER A 73 -5.046 14.273 15.929 1.00 10.00 O ATOM 1025 CB SER A 73 -6.697 12.883 17.867 1.00 50.00 C ATOM 1026 OG SER A 73 -7.663 12.548 18.852 1.00 50.00 O ATOM 0 H SER A 73 -7.625 13.769 15.280 1.00 10.00 H new ATOM 0 HA SER A 73 -7.412 14.936 18.032 1.00 10.00 H new ATOM 0 HB2 SER A 73 -6.685 12.127 17.082 1.00 50.00 H new ATOM 0 HB3 SER A 73 -5.701 12.899 18.309 1.00 50.00 H new ATOM 0 HG SER A 73 -8.481 13.066 18.698 1.00 50.00 H new ATOM 1032 N ILE A 74 -5.539 16.146 16.963 1.00 10.00 N ATOM 1033 CA ILE A 74 -4.342 16.825 16.389 1.00 10.00 C ATOM 1034 C ILE A 74 -3.125 16.623 17.294 1.00 10.00 C ATOM 1035 O ILE A 74 -2.752 17.495 18.053 1.00 10.00 O ATOM 1036 CB ILE A 74 -4.720 18.305 16.317 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -6.092 18.451 15.655 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -3.675 19.058 15.492 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -6.026 17.914 14.224 1.00 10.00 C ATOM 0 H ILE A 74 -6.116 16.723 17.575 1.00 10.00 H new ATOM 0 HA ILE A 74 -4.074 16.425 15.411 1.00 10.00 H new ATOM 0 HB ILE A 74 -4.757 18.719 17.325 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -6.843 17.905 16.226 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -6.395 19.498 15.649 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -3.944 20.113 15.440 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -2.697 18.955 15.962 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -3.639 18.643 14.485 1.00 50.00 H new ATOM 0 HD11 ILE A 74 -7.003 18.017 13.751 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -5.287 18.480 13.657 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -5.742 16.862 14.243 1.00 10.00 H new ATOM 1051 N VAL A 75 -2.499 15.480 17.214 1.00 10.00 N ATOM 1052 CA VAL A 75 -1.301 15.228 18.066 1.00 10.00 C ATOM 1053 C VAL A 75 -0.315 16.391 17.933 1.00 10.00 C ATOM 1054 O VAL A 75 0.288 16.588 16.896 1.00 10.00 O ATOM 1055 CB VAL A 75 -0.689 13.938 17.518 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -0.247 14.157 16.070 1.00 50.00 C ATOM 1057 CG2 VAL A 75 0.521 13.547 18.367 1.00 50.00 C ATOM 0 H VAL A 75 -2.764 14.712 16.598 1.00 10.00 H new ATOM 0 HA VAL A 75 -1.552 15.139 19.123 1.00 10.00 H new ATOM 0 HB VAL A 75 -1.431 13.140 17.554 1.00 50.00 H new ATOM 0 HG11 VAL A 75 0.189 13.237 15.680 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -1.110 14.435 15.464 1.00 50.00 H new ATOM 0 HG13 VAL A 75 0.495 14.955 16.033 1.00 50.00 H new ATOM 0 HG21 VAL A 75 0.957 12.628 17.977 1.00 50.00 H new ATOM 0 HG22 VAL A 75 1.263 14.345 18.332 1.00 50.00 H new ATOM 0 HG23 VAL A 75 0.206 13.390 19.399 1.00 50.00 H new ATOM 1067 N LYS A 76 -0.148 17.170 18.969 1.00 10.00 N ATOM 1068 CA LYS A 76 0.797 18.322 18.882 1.00 10.00 C ATOM 1069 C LYS A 76 2.232 17.861 19.157 1.00 10.00 C ATOM 1070 O LYS A 76 3.177 18.599 18.962 1.00 10.00 O ATOM 1071 CB LYS A 76 0.332 19.302 19.960 1.00 25.00 C ATOM 1072 CG LYS A 76 0.467 20.733 19.436 1.00 25.00 C ATOM 1073 CD LYS A 76 -0.657 21.021 18.438 1.00 50.00 C ATOM 1074 CE LYS A 76 -1.851 21.633 19.173 1.00 50.00 C ATOM 1075 NZ LYS A 76 -2.883 21.842 18.120 1.00 50.00 N ATOM 0 H LYS A 76 -0.621 17.060 19.866 1.00 10.00 H new ATOM 0 HA LYS A 76 0.798 18.776 17.891 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -0.704 19.098 20.230 1.00 25.00 H new ATOM 0 HB3 LYS A 76 0.928 19.176 20.864 1.00 25.00 H new ATOM 0 HG2 LYS A 76 0.422 21.440 20.264 1.00 25.00 H new ATOM 0 HG3 LYS A 76 1.437 20.866 18.956 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -0.304 21.703 17.665 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -0.958 20.100 17.938 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -2.215 20.969 19.957 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -1.580 22.573 19.653 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -3.701 22.337 18.529 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -2.482 22.414 17.350 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -3.188 20.921 17.745 1.00 50.00 H new ATOM 1089 N GLU A 77 2.403 16.649 19.607 1.00 10.00 N ATOM 1090 CA GLU A 77 3.780 16.149 19.890 1.00 10.00 C ATOM 1091 C GLU A 77 3.726 14.709 20.406 1.00 10.00 C ATOM 1092 O GLU A 77 2.675 14.196 20.734 1.00 10.00 O ATOM 1093 CB GLU A 77 4.327 17.087 20.966 1.00 10.00 C ATOM 1094 CG GLU A 77 5.697 17.615 20.535 1.00 10.00 C ATOM 1095 CD GLU A 77 6.742 17.243 21.590 1.00 25.00 C ATOM 1096 OE1 GLU A 77 6.849 16.069 21.901 1.00 25.00 O ATOM 1097 OE2 GLU A 77 7.416 18.140 22.068 1.00 25.00 O ATOM 0 H GLU A 77 1.652 15.984 19.791 1.00 10.00 H new ATOM 0 HA GLU A 77 4.408 16.141 18.999 1.00 10.00 H new ATOM 0 HB2 GLU A 77 3.639 17.917 21.124 1.00 10.00 H new ATOM 0 HB3 GLU A 77 4.412 16.558 21.915 1.00 10.00 H new ATOM 0 HG2 GLU A 77 5.974 17.193 19.569 1.00 10.00 H new ATOM 0 HG3 GLU A 77 5.659 18.697 20.411 1.00 10.00 H new ATOM 1104 N GLY A 78 4.852 14.053 20.478 1.00 10.00 N ATOM 1105 CA GLY A 78 4.865 12.647 20.971 1.00 10.00 C ATOM 1106 C GLY A 78 4.398 11.713 19.852 1.00 10.00 C ATOM 1107 O GLY A 78 4.291 12.106 18.708 1.00 10.00 O ATOM 0 H GLY A 78 5.763 14.430 20.217 1.00 10.00 H new ATOM 0 HA2 GLY A 78 5.869 12.372 21.294 1.00 10.00 H new ATOM 0 HA3 GLY A 78 4.213 12.548 21.839 1.00 10.00 H new ATOM 1111 N GLU A 79 4.120 10.478 20.173 1.00 10.00 N ATOM 1112 CA GLU A 79 3.662 9.524 19.124 1.00 10.00 C ATOM 1113 C GLU A 79 2.796 8.424 19.746 1.00 10.00 C ATOM 1114 O GLU A 79 3.110 7.888 20.789 1.00 10.00 O ATOM 1115 CB GLU A 79 4.946 8.931 18.542 1.00 25.00 C ATOM 1116 CG GLU A 79 4.610 7.668 17.744 1.00 25.00 C ATOM 1117 CD GLU A 79 5.794 7.302 16.846 1.00 50.00 C ATOM 1118 OE1 GLU A 79 6.708 6.659 17.337 1.00 50.00 O ATOM 1119 OE2 GLU A 79 5.767 7.671 15.684 1.00 50.00 O ATOM 0 H GLU A 79 4.190 10.090 21.114 1.00 10.00 H new ATOM 0 HA GLU A 79 3.054 10.011 18.361 1.00 10.00 H new ATOM 0 HB2 GLU A 79 5.437 9.661 17.898 1.00 25.00 H new ATOM 0 HB3 GLU A 79 5.645 8.692 19.344 1.00 25.00 H new ATOM 0 HG2 GLU A 79 4.386 6.845 18.423 1.00 25.00 H new ATOM 0 HG3 GLU A 79 3.718 7.834 17.139 1.00 25.00 H new ATOM 1126 N ILE A 80 1.708 8.083 19.109 1.00 10.00 N ATOM 1127 CA ILE A 80 0.824 7.016 19.658 1.00 10.00 C ATOM 1128 C ILE A 80 1.096 5.688 18.944 1.00 10.00 C ATOM 1129 O ILE A 80 1.871 5.625 18.011 1.00 10.00 O ATOM 1130 CB ILE A 80 -0.600 7.493 19.371 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -0.755 8.948 19.820 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -1.596 6.617 20.133 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -2.079 9.505 19.294 1.00 50.00 C ATOM 0 H ILE A 80 1.394 8.498 18.232 1.00 10.00 H new ATOM 0 HA ILE A 80 0.991 6.848 20.722 1.00 10.00 H new ATOM 0 HB ILE A 80 -0.796 7.421 18.301 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -0.729 9.009 20.908 1.00 10.00 H new ATOM 0 HG13 ILE A 80 0.077 9.546 19.447 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -2.611 6.957 19.928 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -1.489 5.581 19.812 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -1.399 6.688 21.203 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -2.190 10.541 19.613 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -2.086 9.458 18.205 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -2.905 8.913 19.688 1.00 50.00 H new ATOM 1145 N ASP A 81 0.465 4.630 19.372 1.00 10.00 N ATOM 1146 CA ASP A 81 0.692 3.311 18.713 1.00 10.00 C ATOM 1147 C ASP A 81 -0.634 2.739 18.201 1.00 10.00 C ATOM 1148 O ASP A 81 -1.698 3.102 18.663 1.00 10.00 O ATOM 1149 CB ASP A 81 1.274 2.416 19.806 1.00 10.00 C ATOM 1150 CG ASP A 81 2.170 1.352 19.169 1.00 10.00 C ATOM 1151 OD1 ASP A 81 1.645 0.516 18.450 1.00 10.00 O ATOM 1152 OD2 ASP A 81 3.365 1.391 19.410 1.00 10.00 O ATOM 0 H ASP A 81 -0.197 4.620 20.148 1.00 10.00 H new ATOM 0 HA ASP A 81 1.357 3.389 17.853 1.00 10.00 H new ATOM 0 HB2 ASP A 81 1.848 3.014 20.514 1.00 10.00 H new ATOM 0 HB3 ASP A 81 0.470 1.941 20.369 1.00 10.00 H new ATOM 1157 N MET A 82 -0.576 1.848 17.249 1.00 12.50 N ATOM 1158 CA MET A 82 -1.832 1.252 16.706 1.00 12.50 C ATOM 1159 C MET A 82 -1.556 -0.149 16.154 1.00 12.50 C ATOM 1160 O MET A 82 -0.566 -0.381 15.490 1.00 12.50 O ATOM 1161 CB MET A 82 -2.264 2.194 15.583 1.00 12.50 C ATOM 1162 CG MET A 82 -3.645 2.770 15.902 1.00 12.50 C ATOM 1163 SD MET A 82 -4.911 1.823 15.019 1.00 12.50 S ATOM 1164 CE MET A 82 -6.060 1.635 16.404 1.00 50.00 C ATOM 0 H MET A 82 0.286 1.507 16.823 1.00 12.50 H new ATOM 0 HA MET A 82 -2.603 1.147 17.469 1.00 12.50 H new ATOM 0 HB2 MET A 82 -1.539 3.000 15.471 1.00 12.50 H new ATOM 0 HB3 MET A 82 -2.292 1.657 14.635 1.00 12.50 H new ATOM 0 HG2 MET A 82 -3.828 2.730 16.976 1.00 12.50 H new ATOM 0 HG3 MET A 82 -3.690 3.819 15.610 1.00 12.50 H new ATOM 0 HE1 MET A 82 -7.077 1.542 16.023 1.00 50.00 H new ATOM 0 HE2 MET A 82 -5.802 0.741 16.972 1.00 50.00 H new ATOM 0 HE3 MET A 82 -5.994 2.509 17.052 1.00 50.00 H new ATOM 1174 N ASP A 83 -2.426 -1.085 16.422 1.00 50.00 N ATOM 1175 CA ASP A 83 -2.213 -2.471 15.910 1.00 50.00 C ATOM 1176 C ASP A 83 -2.109 -2.460 14.382 1.00 50.00 C ATOM 1177 O ASP A 83 -2.466 -1.497 13.733 1.00 50.00 O ATOM 1178 CB ASP A 83 -3.448 -3.252 16.358 1.00 50.00 C ATOM 1179 CG ASP A 83 -3.022 -4.621 16.890 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -2.068 -4.668 17.649 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -3.655 -5.599 16.529 1.00 50.00 O ATOM 0 H ASP A 83 -3.274 -0.951 16.972 1.00 50.00 H new ATOM 0 HA ASP A 83 -1.291 -2.914 16.287 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -3.980 -2.699 17.132 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -4.137 -3.373 15.522 1.00 50.00 H new ATOM 1186 N MET A 84 -1.624 -3.525 13.803 1.00 50.00 N ATOM 1187 CA MET A 84 -1.501 -3.573 12.318 1.00 50.00 C ATOM 1188 C MET A 84 -2.821 -3.151 11.665 1.00 50.00 C ATOM 1189 O MET A 84 -3.850 -3.761 11.872 1.00 50.00 O ATOM 1190 CB MET A 84 -1.181 -5.032 11.990 1.00 50.00 C ATOM 1191 CG MET A 84 -2.124 -5.951 12.768 1.00 50.00 C ATOM 1192 SD MET A 84 -2.752 -7.243 11.667 1.00 50.00 S ATOM 1193 CE MET A 84 -2.482 -8.643 12.781 1.00 50.00 C ATOM 0 H MET A 84 -1.308 -4.362 14.293 1.00 50.00 H new ATOM 0 HA MET A 84 -0.732 -2.896 11.946 1.00 50.00 H new ATOM 0 HB2 MET A 84 -1.288 -5.207 10.919 1.00 50.00 H new ATOM 0 HB3 MET A 84 -0.145 -5.255 12.247 1.00 50.00 H new ATOM 0 HG2 MET A 84 -1.598 -6.400 13.610 1.00 50.00 H new ATOM 0 HG3 MET A 84 -2.953 -5.375 13.180 1.00 50.00 H new ATOM 0 HE1 MET A 84 -2.807 -9.563 12.295 1.00 50.00 H new ATOM 0 HE2 MET A 84 -1.422 -8.715 13.024 1.00 50.00 H new ATOM 0 HE3 MET A 84 -3.055 -8.495 13.697 1.00 50.00 H new ATOM 1203 N GLN A 85 -2.796 -2.108 10.881 1.00 16.66 N ATOM 1204 CA GLN A 85 -4.049 -1.644 10.218 1.00 16.66 C ATOM 1205 C GLN A 85 -3.729 -0.539 9.208 1.00 16.66 C ATOM 1206 O GLN A 85 -2.629 -0.448 8.701 1.00 16.66 O ATOM 1207 CB GLN A 85 -4.918 -1.103 11.354 1.00 16.66 C ATOM 1208 CG GLN A 85 -4.149 -0.018 12.110 1.00 16.66 C ATOM 1209 CD GLN A 85 -4.763 1.351 11.804 1.00 16.66 C ATOM 1210 OE1 GLN A 85 -5.957 1.466 11.616 1.00 16.66 O ATOM 1211 NE2 GLN A 85 -3.989 2.400 11.748 1.00 16.66 N ATOM 0 H GLN A 85 -1.964 -1.557 10.671 1.00 16.66 H new ATOM 0 HA GLN A 85 -4.550 -2.441 9.668 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -5.846 -0.695 10.954 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -5.192 -1.910 12.033 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -4.184 -0.213 13.182 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -3.099 -0.031 11.818 1.00 16.66 H new ATOM 0 HE21 GLN A 85 -2.986 2.303 11.906 1.00 16.66 H new ATOM 0 HE22 GLN A 85 -4.387 3.317 11.546 1.00 16.66 H new ATOM 1220 N GLN A 86 -4.682 0.303 8.910 1.00 16.66 N ATOM 1221 CA GLN A 86 -4.427 1.399 7.932 1.00 16.66 C ATOM 1222 C GLN A 86 -3.961 2.663 8.661 1.00 16.66 C ATOM 1223 O GLN A 86 -4.758 3.446 9.139 1.00 16.66 O ATOM 1224 CB GLN A 86 -5.772 1.637 7.247 1.00 16.66 C ATOM 1225 CG GLN A 86 -6.118 0.429 6.374 1.00 16.66 C ATOM 1226 CD GLN A 86 -5.003 0.204 5.351 1.00 50.00 C ATOM 1227 OE1 GLN A 86 -4.048 -0.497 5.620 1.00 50.00 O ATOM 1228 NE2 GLN A 86 -5.085 0.774 4.180 1.00 50.00 N ATOM 0 H GLN A 86 -5.624 0.279 9.301 1.00 16.66 H new ATOM 0 HA GLN A 86 -3.646 1.142 7.217 1.00 16.66 H new ATOM 0 HB2 GLN A 86 -6.550 1.795 7.994 1.00 16.66 H new ATOM 0 HB3 GLN A 86 -5.728 2.539 6.637 1.00 16.66 H new ATOM 0 HG2 GLN A 86 -6.241 -0.458 6.995 1.00 16.66 H new ATOM 0 HG3 GLN A 86 -7.067 0.595 5.864 1.00 16.66 H new ATOM 0 HE21 GLN A 86 -5.887 1.363 3.954 1.00 50.00 H new ATOM 0 HE22 GLN A 86 -4.347 0.631 3.490 1.00 50.00 H new ATOM 1237 N ILE A 87 -2.675 2.867 8.749 1.00 12.50 N ATOM 1238 CA ILE A 87 -2.157 4.079 9.447 1.00 12.50 C ATOM 1239 C ILE A 87 -2.367 5.321 8.577 1.00 12.50 C ATOM 1240 O ILE A 87 -2.713 5.225 7.416 1.00 12.50 O ATOM 1241 CB ILE A 87 -0.665 3.813 9.649 1.00 50.00 C ATOM 1242 CG1 ILE A 87 0.020 3.690 8.287 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -0.482 2.509 10.430 1.00 50.00 C ATOM 1244 CD1 ILE A 87 1.374 4.404 8.331 1.00 50.00 C ATOM 0 H ILE A 87 -1.960 2.247 8.368 1.00 12.50 H new ATOM 0 HA ILE A 87 -2.670 4.262 10.391 1.00 12.50 H new ATOM 0 HB ILE A 87 -0.221 4.638 10.206 1.00 50.00 H new ATOM 0 HG12 ILE A 87 0.159 2.640 8.031 1.00 50.00 H new ATOM 0 HG13 ILE A 87 -0.609 4.127 7.511 1.00 50.00 H new ATOM 0 HG21 ILE A 87 0.581 2.318 10.575 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.971 2.594 11.400 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.926 1.685 9.871 1.00 50.00 H new ATOM 0 HD11 ILE A 87 1.863 4.317 7.361 1.00 50.00 H new ATOM 0 HD12 ILE A 87 1.222 5.457 8.568 1.00 50.00 H new ATOM 0 HD13 ILE A 87 2.002 3.947 9.096 1.00 50.00 H new ATOM 1256 N LEU A 88 -2.165 6.486 9.128 1.00 12.50 N ATOM 1257 CA LEU A 88 -2.355 7.732 8.331 1.00 12.50 C ATOM 1258 C LEU A 88 -1.084 8.054 7.540 1.00 12.50 C ATOM 1259 O LEU A 88 -0.159 7.268 7.485 1.00 12.50 O ATOM 1260 CB LEU A 88 -2.633 8.823 9.364 1.00 12.50 C ATOM 1261 CG LEU A 88 -4.069 8.689 9.873 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -4.220 9.468 11.182 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -5.035 9.253 8.828 1.00 12.50 C ATOM 0 H LEU A 88 -1.877 6.630 10.096 1.00 12.50 H new ATOM 0 HA LEU A 88 -3.164 7.639 7.607 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -1.932 8.739 10.195 1.00 12.50 H new ATOM 0 HB3 LEU A 88 -2.484 9.807 8.919 1.00 12.50 H new ATOM 0 HG LEU A 88 -4.297 7.638 10.048 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -5.243 9.373 11.546 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -3.532 9.067 11.926 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -3.993 10.520 11.008 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -6.059 9.158 9.190 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -4.808 10.305 8.653 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -4.927 8.699 7.896 1.00 12.50 H new ATOM 1275 N SER A 89 -1.032 9.205 6.927 1.00 12.50 N ATOM 1276 CA SER A 89 0.180 9.576 6.141 1.00 12.50 C ATOM 1277 C SER A 89 0.938 10.708 6.840 1.00 12.50 C ATOM 1278 O SER A 89 0.349 11.588 7.435 1.00 12.50 O ATOM 1279 CB SER A 89 -0.353 10.042 4.786 1.00 12.50 C ATOM 1280 OG SER A 89 -1.340 9.130 4.326 1.00 12.50 O ATOM 0 H SER A 89 -1.775 9.904 6.936 1.00 12.50 H new ATOM 0 HA SER A 89 0.877 8.744 6.039 1.00 12.50 H new ATOM 0 HB2 SER A 89 -0.779 11.041 4.875 1.00 12.50 H new ATOM 0 HB3 SER A 89 0.462 10.106 4.065 1.00 12.50 H new ATOM 0 HG SER A 89 -1.683 9.429 3.458 1.00 12.50 H new ATOM 1286 N ASP A 90 2.241 10.689 6.773 1.00 10.00 N ATOM 1287 CA ASP A 90 3.038 11.761 7.436 1.00 10.00 C ATOM 1288 C ASP A 90 2.468 13.139 7.097 1.00 10.00 C ATOM 1289 O ASP A 90 2.276 13.973 7.959 1.00 10.00 O ATOM 1290 CB ASP A 90 4.451 11.610 6.872 1.00 10.00 C ATOM 1291 CG ASP A 90 5.259 10.667 7.765 1.00 10.00 C ATOM 1292 OD1 ASP A 90 4.732 9.626 8.123 1.00 10.00 O ATOM 1293 OD2 ASP A 90 6.390 11.001 8.077 1.00 10.00 O ATOM 0 H ASP A 90 2.788 9.978 6.288 1.00 10.00 H new ATOM 0 HA ASP A 90 3.020 11.673 8.522 1.00 10.00 H new ATOM 0 HB2 ASP A 90 4.408 11.218 5.856 1.00 10.00 H new ATOM 0 HB3 ASP A 90 4.938 12.583 6.818 1.00 10.00 H new ATOM 1298 N GLU A 91 2.195 13.384 5.848 1.00 12.50 N ATOM 1299 CA GLU A 91 1.639 14.709 5.453 1.00 12.50 C ATOM 1300 C GLU A 91 0.390 15.013 6.279 1.00 12.50 C ATOM 1301 O GLU A 91 0.069 16.155 6.543 1.00 12.50 O ATOM 1302 CB GLU A 91 1.287 14.570 3.971 1.00 12.50 C ATOM 1303 CG GLU A 91 0.342 13.382 3.778 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.112 13.323 2.317 1.00 50.00 C ATOM 1305 OE1 GLU A 91 -0.128 14.364 1.681 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.435 12.240 1.861 1.00 50.00 O ATOM 0 H GLU A 91 2.332 12.725 5.082 1.00 12.50 H new ATOM 0 HA GLU A 91 2.343 15.524 5.623 1.00 12.50 H new ATOM 0 HB2 GLU A 91 0.816 15.485 3.611 1.00 12.50 H new ATOM 0 HB3 GLU A 91 2.194 14.426 3.383 1.00 12.50 H new ATOM 0 HG2 GLU A 91 0.846 12.455 4.051 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -0.522 13.481 4.435 1.00 12.50 H new ATOM 1313 N GLU A 92 -0.312 13.998 6.694 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.536 14.225 7.511 1.00 10.00 C ATOM 1315 C GLU A 92 -1.146 14.498 8.965 1.00 10.00 C ATOM 1316 O GLU A 92 -1.739 15.322 9.633 1.00 10.00 O ATOM 1317 CB GLU A 92 -2.334 12.927 7.400 1.00 50.00 C ATOM 1318 CG GLU A 92 -2.860 12.776 5.971 1.00 50.00 C ATOM 1319 CD GLU A 92 -4.260 12.162 6.002 1.00 50.00 C ATOM 1320 OE1 GLU A 92 -5.208 12.908 6.186 1.00 50.00 O ATOM 1321 OE2 GLU A 92 -4.361 10.957 5.841 1.00 50.00 O ATOM 0 H GLU A 92 -0.092 13.020 6.503 1.00 10.00 H new ATOM 0 HA GLU A 92 -2.114 15.083 7.168 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -1.704 12.076 7.659 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -3.164 12.936 8.106 1.00 50.00 H new ATOM 0 HG2 GLU A 92 -2.889 13.748 5.479 1.00 50.00 H new ATOM 0 HG3 GLU A 92 -2.188 12.145 5.390 1.00 50.00 H new ATOM 1328 N VAL A 93 -0.150 13.813 9.459 1.00 10.00 N ATOM 1329 CA VAL A 93 0.282 14.038 10.867 1.00 10.00 C ATOM 1330 C VAL A 93 1.159 15.292 10.956 1.00 10.00 C ATOM 1331 O VAL A 93 1.349 15.854 12.016 1.00 10.00 O ATOM 1332 CB VAL A 93 1.068 12.776 11.247 1.00 10.00 C ATOM 1333 CG1 VAL A 93 2.516 12.888 10.756 1.00 10.00 C ATOM 1334 CG2 VAL A 93 1.059 12.610 12.768 1.00 10.00 C ATOM 0 H VAL A 93 0.382 13.108 8.949 1.00 10.00 H new ATOM 0 HA VAL A 93 -0.557 14.202 11.543 1.00 10.00 H new ATOM 0 HB VAL A 93 0.599 11.911 10.778 1.00 10.00 H new ATOM 0 HG11 VAL A 93 3.064 11.987 11.031 1.00 10.00 H new ATOM 0 HG12 VAL A 93 2.525 13.001 9.672 1.00 10.00 H new ATOM 0 HG13 VAL A 93 2.990 13.756 11.215 1.00 10.00 H new ATOM 0 HG21 VAL A 93 1.617 11.714 13.040 1.00 10.00 H new ATOM 0 HG22 VAL A 93 1.523 13.481 13.232 1.00 10.00 H new ATOM 0 HG23 VAL A 93 0.031 12.517 13.118 1.00 10.00 H new ATOM 1344 N GLU A 94 1.696 15.730 9.849 1.00 12.50 N ATOM 1345 CA GLU A 94 2.562 16.945 9.870 1.00 12.50 C ATOM 1346 C GLU A 94 1.724 18.196 9.594 1.00 12.50 C ATOM 1347 O GLU A 94 1.868 19.208 10.249 1.00 12.50 O ATOM 1348 CB GLU A 94 3.579 16.724 8.749 1.00 12.50 C ATOM 1349 CG GLU A 94 4.800 15.988 9.305 1.00 12.50 C ATOM 1350 CD GLU A 94 5.539 16.897 10.290 1.00 12.50 C ATOM 1351 OE1 GLU A 94 6.346 17.693 9.840 1.00 12.50 O ATOM 1352 OE2 GLU A 94 5.285 16.780 11.477 1.00 12.50 O ATOM 0 H GLU A 94 1.573 15.300 8.932 1.00 12.50 H new ATOM 0 HA GLU A 94 3.044 17.092 10.836 1.00 12.50 H new ATOM 0 HB2 GLU A 94 3.128 16.145 7.943 1.00 12.50 H new ATOM 0 HB3 GLU A 94 3.881 17.681 8.323 1.00 12.50 H new ATOM 0 HG2 GLU A 94 4.489 15.070 9.804 1.00 12.50 H new ATOM 0 HG3 GLU A 94 5.465 15.699 8.491 1.00 12.50 H new ATOM 1359 N GLU A 95 0.849 18.134 8.628 1.00 12.50 N ATOM 1360 CA GLU A 95 0.004 19.320 8.311 1.00 12.50 C ATOM 1361 C GLU A 95 -1.331 19.235 9.055 1.00 12.50 C ATOM 1362 O GLU A 95 -2.006 20.225 9.255 1.00 12.50 O ATOM 1363 CB GLU A 95 -0.221 19.257 6.801 1.00 25.00 C ATOM 1364 CG GLU A 95 -0.922 20.534 6.336 1.00 25.00 C ATOM 1365 CD GLU A 95 -0.194 21.100 5.114 1.00 50.00 C ATOM 1366 OE1 GLU A 95 0.922 21.565 5.277 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.765 21.058 4.037 1.00 50.00 O ATOM 0 H GLU A 95 0.683 17.314 8.045 1.00 12.50 H new ATOM 0 HA GLU A 95 0.477 20.254 8.614 1.00 12.50 H new ATOM 0 HB2 GLU A 95 0.732 19.144 6.285 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -0.825 18.385 6.549 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -1.962 20.321 6.087 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -0.931 21.270 7.140 1.00 25.00 H new ATOM 1374 N LYS A 96 -1.721 18.058 9.463 1.00 25.00 N ATOM 1375 CA LYS A 96 -3.014 17.914 10.190 1.00 25.00 C ATOM 1376 C LYS A 96 -2.779 17.350 11.593 1.00 25.00 C ATOM 1377 O LYS A 96 -3.642 17.407 12.447 1.00 25.00 O ATOM 1378 CB LYS A 96 -3.833 16.934 9.350 1.00 25.00 C ATOM 1379 CG LYS A 96 -5.209 17.539 9.060 1.00 25.00 C ATOM 1380 CD LYS A 96 -5.947 16.662 8.048 1.00 25.00 C ATOM 1381 CE LYS A 96 -7.381 16.429 8.528 1.00 25.00 C ATOM 1382 NZ LYS A 96 -7.605 14.964 8.366 1.00 25.00 N ATOM 0 H LYS A 96 -1.201 17.191 9.325 1.00 25.00 H new ATOM 0 HA LYS A 96 -3.522 18.870 10.316 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -3.315 16.717 8.416 1.00 25.00 H new ATOM 0 HB3 LYS A 96 -3.944 15.988 9.880 1.00 25.00 H new ATOM 0 HG2 LYS A 96 -5.787 17.615 9.981 1.00 25.00 H new ATOM 0 HG3 LYS A 96 -5.099 18.550 8.669 1.00 25.00 H new ATOM 0 HD2 LYS A 96 -5.953 17.143 7.070 1.00 25.00 H new ATOM 0 HD3 LYS A 96 -5.431 15.709 7.932 1.00 25.00 H new ATOM 0 HE2 LYS A 96 -7.505 16.735 9.567 1.00 25.00 H new ATOM 0 HE3 LYS A 96 -8.094 17.006 7.938 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 -8.452 14.681 8.899 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 -7.739 14.743 7.359 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 -6.780 14.445 8.727 1.00 25.00 H new ATOM 1396 N ASP A 97 -1.619 16.805 11.841 1.00 10.00 N ATOM 1397 CA ASP A 97 -1.339 16.237 13.191 1.00 10.00 C ATOM 1398 C ASP A 97 -2.483 15.316 13.619 1.00 10.00 C ATOM 1399 O ASP A 97 -2.686 15.065 14.790 1.00 10.00 O ATOM 1400 CB ASP A 97 -1.256 17.450 14.119 1.00 50.00 C ATOM 1401 CG ASP A 97 0.196 17.665 14.549 1.00 50.00 C ATOM 1402 OD1 ASP A 97 0.984 16.749 14.385 1.00 50.00 O ATOM 1403 OD2 ASP A 97 0.496 18.745 15.033 1.00 50.00 O ATOM 0 H ASP A 97 -0.855 16.728 11.169 1.00 10.00 H new ATOM 0 HA ASP A 97 -0.425 15.644 13.211 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -1.631 18.338 13.609 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -1.887 17.295 14.994 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.235 14.815 12.678 1.00 10.00 N ATOM 1409 CA VAL A 98 -4.372 13.917 13.030 1.00 10.00 C ATOM 1410 C VAL A 98 -3.859 12.528 13.419 1.00 10.00 C ATOM 1411 O VAL A 98 -2.879 12.044 12.889 1.00 10.00 O ATOM 1412 CB VAL A 98 -5.220 13.839 11.761 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -6.312 12.782 11.942 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -5.866 15.200 11.493 1.00 50.00 C ATOM 0 H VAL A 98 -3.112 14.988 11.680 1.00 10.00 H new ATOM 0 HA VAL A 98 -4.941 14.290 13.882 1.00 10.00 H new ATOM 0 HB VAL A 98 -4.586 13.566 10.917 1.00 50.00 H new ATOM 0 HG11 VAL A 98 -6.917 12.726 11.037 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -5.852 11.812 12.132 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -6.946 13.054 12.786 1.00 50.00 H new ATOM 0 HG21 VAL A 98 -6.471 15.144 10.588 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -6.500 15.474 12.336 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -5.088 15.953 11.364 1.00 50.00 H new ATOM 1424 N ARG A 99 -4.522 11.883 14.340 1.00 10.00 N ATOM 1425 CA ARG A 99 -4.083 10.523 14.765 1.00 10.00 C ATOM 1426 C ARG A 99 -5.257 9.771 15.397 1.00 10.00 C ATOM 1427 O ARG A 99 -6.288 10.343 15.688 1.00 10.00 O ATOM 1428 CB ARG A 99 -2.979 10.765 15.795 1.00 50.00 C ATOM 1429 CG ARG A 99 -1.951 9.635 15.713 1.00 50.00 C ATOM 1430 CD ARG A 99 -0.540 10.218 15.821 1.00 50.00 C ATOM 1431 NE ARG A 99 0.366 9.088 15.469 1.00 50.00 N ATOM 1432 CZ ARG A 99 1.050 9.120 14.359 1.00 50.00 C ATOM 1433 NH1 ARG A 99 0.456 9.417 13.236 1.00 50.00 N ATOM 1434 NH2 ARG A 99 2.327 8.852 14.370 1.00 50.00 N ATOM 0 H ARG A 99 -5.350 12.240 14.817 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.729 9.919 13.929 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.497 11.725 15.609 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -3.405 10.812 16.797 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -2.121 8.916 16.514 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -2.062 9.096 14.772 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -0.406 11.059 15.141 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -0.340 10.587 16.827 1.00 50.00 H new ATOM 0 HE ARG A 99 0.451 8.289 16.097 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -0.543 9.624 13.227 1.00 50.00 H new ATOM 0 HH12 ARG A 99 0.990 9.442 12.368 1.00 50.00 H new ATOM 0 HH21 ARG A 99 2.791 8.617 15.247 1.00 50.00 H new ATOM 0 HH22 ARG A 99 2.861 8.877 13.501 1.00 50.00 H new ATOM 1448 N LEU A 100 -5.111 8.492 15.610 1.00 10.00 N ATOM 1449 CA LEU A 100 -6.224 7.708 16.221 1.00 10.00 C ATOM 1450 C LEU A 100 -6.116 7.729 17.748 1.00 10.00 C ATOM 1451 O LEU A 100 -5.078 7.445 18.311 1.00 10.00 O ATOM 1452 CB LEU A 100 -6.042 6.286 15.690 1.00 10.00 C ATOM 1453 CG LEU A 100 -5.972 6.317 14.162 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -5.915 4.885 13.624 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -7.213 7.020 13.607 1.00 10.00 C ATOM 0 H LEU A 100 -4.272 7.956 15.388 1.00 10.00 H new ATOM 0 HA LEU A 100 -7.202 8.117 15.969 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -5.131 5.848 16.098 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -6.871 5.657 16.014 1.00 10.00 H new ATOM 0 HG LEU A 100 -5.078 6.858 13.852 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -5.865 4.907 12.535 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -5.031 4.383 14.018 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -6.808 4.344 13.935 1.00 10.00 H new ATOM 0 HD21 LEU A 100 -7.163 7.042 12.518 1.00 10.00 H new ATOM 0 HD22 LEU A 100 -8.107 6.480 13.918 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -7.255 8.040 13.989 1.00 10.00 H new ATOM 1467 N THR A 101 -7.183 8.064 18.421 1.00 10.00 N ATOM 1468 CA THR A 101 -7.144 8.101 19.911 1.00 10.00 C ATOM 1469 C THR A 101 -8.128 7.080 20.489 1.00 10.00 C ATOM 1470 O THR A 101 -8.154 6.831 21.678 1.00 10.00 O ATOM 1471 CB THR A 101 -7.565 9.523 20.286 1.00 10.00 C ATOM 1472 OG1 THR A 101 -6.561 10.437 19.869 1.00 10.00 O ATOM 1473 CG2 THR A 101 -7.749 9.620 21.800 1.00 10.00 C ATOM 0 H THR A 101 -8.080 8.314 18.004 1.00 10.00 H new ATOM 0 HA THR A 101 -6.158 7.852 20.304 1.00 10.00 H new ATOM 0 HB THR A 101 -8.506 9.766 19.792 1.00 10.00 H new ATOM 0 HG1 THR A 101 -6.928 11.346 19.863 1.00 10.00 H new ATOM 0 HG21 THR A 101 -8.049 10.634 22.066 1.00 10.00 H new ATOM 0 HG22 THR A 101 -8.520 8.918 22.119 1.00 10.00 H new ATOM 0 HG23 THR A 101 -6.810 9.377 22.297 1.00 10.00 H new ATOM 1481 N CYS A 102 -8.937 6.487 19.654 1.00 10.00 N ATOM 1482 CA CYS A 102 -9.918 5.481 20.154 1.00 10.00 C ATOM 1483 C CYS A 102 -9.182 4.231 20.645 1.00 10.00 C ATOM 1484 O CYS A 102 -8.834 4.120 21.804 1.00 10.00 O ATOM 1485 CB CYS A 102 -10.796 5.153 18.947 1.00 10.00 C ATOM 1486 SG CYS A 102 -11.723 6.630 18.459 1.00 10.00 S ATOM 0 H CYS A 102 -8.961 6.655 18.648 1.00 10.00 H new ATOM 0 HA CYS A 102 -10.506 5.853 20.993 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -10.179 4.807 18.118 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -11.483 4.343 19.193 1.00 10.00 H new ATOM 1491 N ILE A 103 -8.938 3.292 19.773 1.00 10.00 N ATOM 1492 CA ILE A 103 -8.218 2.055 20.193 1.00 10.00 C ATOM 1493 C ILE A 103 -6.713 2.232 19.974 1.00 10.00 C ATOM 1494 O ILE A 103 -6.053 1.377 19.416 1.00 10.00 O ATOM 1495 CB ILE A 103 -8.759 0.944 19.289 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -10.276 1.088 19.143 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -8.434 -0.418 19.908 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -10.935 1.003 20.522 1.00 50.00 C ATOM 0 H ILE A 103 -9.205 3.327 18.789 1.00 10.00 H new ATOM 0 HA ILE A 103 -8.371 1.827 21.248 1.00 10.00 H new ATOM 0 HB ILE A 103 -8.294 1.020 18.306 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -10.517 2.041 18.672 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -10.665 0.304 18.494 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -8.818 -1.211 19.266 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -7.354 -0.524 20.008 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -8.898 -0.491 20.892 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -12.015 1.106 20.416 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -10.705 0.039 20.976 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -10.555 1.803 21.157 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.166 3.338 20.401 1.00 10.00 N ATOM 1511 CA GLY A 104 -4.708 3.569 20.207 1.00 10.00 C ATOM 1512 C GLY A 104 -4.019 3.733 21.562 1.00 10.00 C ATOM 1513 O GLY A 104 -4.600 4.218 22.516 1.00 10.00 O ATOM 0 H GLY A 104 -6.666 4.090 20.875 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -4.268 2.732 19.665 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -4.550 4.460 19.600 1.00 10.00 H new ATOM 1517 N SER A 105 -2.778 3.335 21.651 1.00 10.00 N ATOM 1518 CA SER A 105 -2.037 3.465 22.937 1.00 10.00 C ATOM 1519 C SER A 105 -0.848 4.415 22.763 1.00 10.00 C ATOM 1520 O SER A 105 -0.199 4.416 21.734 1.00 10.00 O ATOM 1521 CB SER A 105 -1.553 2.051 23.257 1.00 10.00 C ATOM 1522 OG SER A 105 -0.370 2.119 24.042 1.00 10.00 O ATOM 0 H SER A 105 -2.245 2.924 20.885 1.00 10.00 H new ATOM 0 HA SER A 105 -2.657 3.873 23.735 1.00 10.00 H new ATOM 0 HB2 SER A 105 -2.327 1.503 23.794 1.00 10.00 H new ATOM 0 HB3 SER A 105 -1.358 1.505 22.334 1.00 10.00 H new ATOM 0 HG SER A 105 -0.061 1.212 24.248 1.00 10.00 H new ATOM 1528 N PRO A 106 -0.603 5.196 23.780 1.00 10.00 N ATOM 1529 CA PRO A 106 0.520 6.166 23.744 1.00 10.00 C ATOM 1530 C PRO A 106 1.861 5.438 23.882 1.00 10.00 C ATOM 1531 O PRO A 106 1.960 4.421 24.540 1.00 10.00 O ATOM 1532 CB PRO A 106 0.260 7.058 24.952 1.00 10.00 C ATOM 1533 CG PRO A 106 -0.548 6.217 25.890 1.00 10.00 C ATOM 1534 CD PRO A 106 -1.340 5.248 25.048 1.00 10.00 C ATOM 0 HA PRO A 106 0.573 6.725 22.810 1.00 10.00 H new ATOM 0 HB2 PRO A 106 1.194 7.378 25.414 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -0.280 7.961 24.667 1.00 10.00 H new ATOM 0 HG2 PRO A 106 0.101 5.683 26.584 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -1.213 6.839 26.489 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -1.397 4.266 25.517 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -2.364 5.591 24.901 1.00 10.00 H new ATOM 1542 N ALA A 107 2.892 5.948 23.265 1.00 10.00 N ATOM 1543 CA ALA A 107 4.222 5.279 23.363 1.00 10.00 C ATOM 1544 C ALA A 107 5.243 6.208 24.028 1.00 10.00 C ATOM 1545 O ALA A 107 6.128 5.770 24.736 1.00 10.00 O ATOM 1546 CB ALA A 107 4.626 4.986 21.919 1.00 50.00 C ATOM 0 H ALA A 107 2.872 6.796 22.699 1.00 10.00 H new ATOM 0 HA ALA A 107 4.181 4.373 23.968 1.00 10.00 H new ATOM 0 HB1 ALA A 107 5.598 4.492 21.906 1.00 50.00 H new ATOM 0 HB2 ALA A 107 3.882 4.336 21.458 1.00 50.00 H new ATOM 0 HB3 ALA A 107 4.687 5.921 21.361 1.00 50.00 H new ATOM 1552 N ALA A 108 5.127 7.487 23.804 1.00 10.00 N ATOM 1553 CA ALA A 108 6.092 8.443 24.420 1.00 10.00 C ATOM 1554 C ALA A 108 5.648 8.808 25.839 1.00 10.00 C ATOM 1555 O ALA A 108 4.487 8.702 26.183 1.00 10.00 O ATOM 1556 CB ALA A 108 6.060 9.674 23.515 1.00 50.00 C ATOM 0 H ALA A 108 4.406 7.913 23.221 1.00 10.00 H new ATOM 0 HA ALA A 108 7.094 8.022 24.502 1.00 10.00 H new ATOM 0 HB1 ALA A 108 6.746 10.428 23.901 1.00 50.00 H new ATOM 0 HB2 ALA A 108 6.361 9.392 22.506 1.00 50.00 H new ATOM 0 HB3 ALA A 108 5.049 10.082 23.491 1.00 50.00 H new ATOM 1562 N ASP A 109 6.563 9.240 26.664 1.00 50.00 N ATOM 1563 CA ASP A 109 6.191 9.615 28.059 1.00 50.00 C ATOM 1564 C ASP A 109 5.212 10.791 28.043 1.00 50.00 C ATOM 1565 O ASP A 109 4.148 10.735 28.627 1.00 50.00 O ATOM 1566 CB ASP A 109 7.505 10.022 28.726 1.00 50.00 C ATOM 1567 CG ASP A 109 8.368 8.779 28.958 1.00 50.00 C ATOM 1568 OD1 ASP A 109 7.962 7.712 28.528 1.00 50.00 O ATOM 1569 OD2 ASP A 109 9.419 8.916 29.562 1.00 50.00 O ATOM 0 H ASP A 109 7.550 9.349 26.433 1.00 50.00 H new ATOM 0 HA ASP A 109 5.702 8.798 28.590 1.00 50.00 H new ATOM 0 HB2 ASP A 109 8.038 10.735 28.098 1.00 50.00 H new ATOM 0 HB3 ASP A 109 7.304 10.520 29.674 1.00 50.00 H new ATOM 1574 N GLU A 110 5.565 11.855 27.375 1.00 10.00 N ATOM 1575 CA GLU A 110 4.657 13.037 27.316 1.00 10.00 C ATOM 1576 C GLU A 110 4.253 13.315 25.866 1.00 10.00 C ATOM 1577 O GLU A 110 5.059 13.729 25.057 1.00 10.00 O ATOM 1578 CB GLU A 110 5.480 14.195 27.878 1.00 10.00 C ATOM 1579 CG GLU A 110 4.686 14.896 28.984 1.00 10.00 C ATOM 1580 CD GLU A 110 4.822 16.411 28.826 1.00 50.00 C ATOM 1581 OE1 GLU A 110 4.077 16.975 28.043 1.00 50.00 O ATOM 1582 OE2 GLU A 110 5.671 16.982 29.492 1.00 50.00 O ATOM 0 H GLU A 110 6.444 11.958 26.867 1.00 10.00 H new ATOM 0 HA GLU A 110 3.736 12.884 27.879 1.00 10.00 H new ATOM 0 HB2 GLU A 110 6.426 13.825 28.273 1.00 10.00 H new ATOM 0 HB3 GLU A 110 5.721 14.902 27.085 1.00 10.00 H new ATOM 0 HG2 GLU A 110 3.636 14.607 28.932 1.00 10.00 H new ATOM 0 HG3 GLU A 110 5.054 14.587 29.962 1.00 10.00 H new ATOM 1589 N VAL A 111 3.012 13.089 25.530 1.00 10.00 N ATOM 1590 CA VAL A 111 2.563 13.338 24.129 1.00 10.00 C ATOM 1591 C VAL A 111 1.493 14.433 24.097 1.00 10.00 C ATOM 1592 O VAL A 111 0.596 14.463 24.916 1.00 10.00 O ATOM 1593 CB VAL A 111 1.981 12.004 23.661 1.00 12.50 C ATOM 1594 CG1 VAL A 111 1.565 12.115 22.193 1.00 12.50 C ATOM 1595 CG2 VAL A 111 3.037 10.906 23.810 1.00 12.50 C ATOM 0 H VAL A 111 2.291 12.743 26.163 1.00 10.00 H new ATOM 0 HA VAL A 111 3.377 13.677 23.489 1.00 10.00 H new ATOM 0 HB VAL A 111 1.110 11.756 24.267 1.00 12.50 H new ATOM 0 HG11 VAL A 111 1.150 11.164 21.859 1.00 12.50 H new ATOM 0 HG12 VAL A 111 0.813 12.896 22.086 1.00 12.50 H new ATOM 0 HG13 VAL A 111 2.435 12.364 21.586 1.00 12.50 H new ATOM 0 HG21 VAL A 111 2.622 9.955 23.476 1.00 12.50 H new ATOM 0 HG22 VAL A 111 3.908 11.155 23.204 1.00 12.50 H new ATOM 0 HG23 VAL A 111 3.333 10.826 24.856 1.00 12.50 H new ATOM 1605 N LYS A 112 1.581 15.333 23.155 1.00 10.00 N ATOM 1606 CA LYS A 112 0.568 16.425 23.068 1.00 10.00 C ATOM 1607 C LYS A 112 -0.446 16.119 21.963 1.00 10.00 C ATOM 1608 O LYS A 112 -0.093 15.671 20.889 1.00 10.00 O ATOM 1609 CB LYS A 112 1.369 17.683 22.728 1.00 25.00 C ATOM 1610 CG LYS A 112 2.485 17.871 23.758 1.00 25.00 C ATOM 1611 CD LYS A 112 2.569 19.346 24.156 1.00 25.00 C ATOM 1612 CE LYS A 112 3.069 20.167 22.966 1.00 25.00 C ATOM 1613 NZ LYS A 112 2.691 21.573 23.287 1.00 25.00 N ATOM 0 H LYS A 112 2.310 15.360 22.442 1.00 10.00 H new ATOM 0 HA LYS A 112 0.004 16.539 23.994 1.00 10.00 H new ATOM 0 HB2 LYS A 112 1.793 17.598 21.728 1.00 25.00 H new ATOM 0 HB3 LYS A 112 0.714 18.554 22.723 1.00 25.00 H new ATOM 0 HG2 LYS A 112 2.290 17.257 24.637 1.00 25.00 H new ATOM 0 HG3 LYS A 112 3.437 17.541 23.343 1.00 25.00 H new ATOM 0 HD2 LYS A 112 1.590 19.705 24.473 1.00 25.00 H new ATOM 0 HD3 LYS A 112 3.243 19.467 25.004 1.00 25.00 H new ATOM 0 HE2 LYS A 112 4.147 20.066 22.841 1.00 25.00 H new ATOM 0 HE3 LYS A 112 2.608 19.836 22.035 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 2.892 22.182 22.468 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 1.676 21.617 23.510 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 3.241 21.902 24.106 1.00 25.00 H new ATOM 1627 N ILE A 113 -1.704 16.355 22.217 1.00 10.00 N ATOM 1628 CA ILE A 113 -2.742 16.075 21.185 1.00 10.00 C ATOM 1629 C ILE A 113 -4.023 16.859 21.491 1.00 10.00 C ATOM 1630 O ILE A 113 -4.395 17.038 22.634 1.00 10.00 O ATOM 1631 CB ILE A 113 -2.991 14.567 21.281 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -3.827 14.101 20.083 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -3.729 14.252 22.586 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -5.247 14.669 20.181 1.00 10.00 C ATOM 0 H ILE A 113 -2.058 16.730 23.097 1.00 10.00 H new ATOM 0 HA ILE A 113 -2.426 16.374 20.185 1.00 10.00 H new ATOM 0 HB ILE A 113 -2.036 14.042 21.272 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -3.359 14.427 19.154 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -3.863 13.012 20.056 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -3.906 13.179 22.654 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -3.124 14.574 23.433 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -4.683 14.779 22.601 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.833 14.333 19.326 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -5.715 14.321 21.102 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -5.204 15.758 20.185 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.701 17.323 20.477 1.00 10.00 N ATOM 1647 CA VAL A 114 -5.959 18.089 20.709 1.00 10.00 C ATOM 1648 C VAL A 114 -7.167 17.158 20.570 1.00 10.00 C ATOM 1649 O VAL A 114 -7.350 16.513 19.556 1.00 10.00 O ATOM 1650 CB VAL A 114 -5.977 19.164 19.621 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -7.170 20.096 19.840 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -4.680 19.973 19.684 1.00 50.00 C ATOM 0 H VAL A 114 -4.439 17.205 19.498 1.00 10.00 H new ATOM 0 HA VAL A 114 -6.004 18.525 21.707 1.00 10.00 H new ATOM 0 HB VAL A 114 -6.064 18.689 18.644 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -7.181 20.861 19.064 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -8.094 19.520 19.795 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -7.086 20.572 20.817 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -4.691 20.740 18.909 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.594 20.447 20.662 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -3.830 19.310 19.526 1.00 50.00 H new ATOM 1662 N TYR A 115 -7.985 17.075 21.586 1.00 10.00 N ATOM 1663 CA TYR A 115 -9.173 16.176 21.519 1.00 10.00 C ATOM 1664 C TYR A 115 -10.381 16.923 20.931 1.00 10.00 C ATOM 1665 O TYR A 115 -10.444 18.137 20.950 1.00 10.00 O ATOM 1666 CB TYR A 115 -9.405 15.731 22.980 1.00 50.00 C ATOM 1667 CG TYR A 115 -10.681 16.322 23.546 1.00 50.00 C ATOM 1668 CD1 TYR A 115 -10.698 17.642 24.016 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -11.845 15.545 23.602 1.00 50.00 C ATOM 1670 CE1 TYR A 115 -11.877 18.183 24.540 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -13.024 16.087 24.126 1.00 50.00 C ATOM 1672 CZ TYR A 115 -13.040 17.406 24.594 1.00 50.00 C ATOM 1673 OH TYR A 115 -14.203 17.941 25.111 1.00 50.00 O ATOM 0 H TYR A 115 -7.881 17.591 22.459 1.00 10.00 H new ATOM 0 HA TYR A 115 -9.023 15.316 20.866 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -9.455 14.643 23.026 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -8.558 16.037 23.593 1.00 50.00 H new ATOM 0 HD1 TYR A 115 -9.801 18.242 23.974 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -11.833 14.527 23.241 1.00 50.00 H new ATOM 0 HE1 TYR A 115 -11.890 19.200 24.903 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -13.921 15.488 24.169 1.00 50.00 H new ATOM 0 HH TYR A 115 -14.064 18.179 26.052 1.00 50.00 H new ATOM 1683 N ASN A 116 -11.336 16.201 20.407 1.00 10.00 N ATOM 1684 CA ASN A 116 -12.539 16.855 19.814 1.00 10.00 C ATOM 1685 C ASN A 116 -12.163 17.593 18.527 1.00 10.00 C ATOM 1686 O ASN A 116 -12.735 18.612 18.195 1.00 10.00 O ATOM 1687 CB ASN A 116 -13.031 17.842 20.874 1.00 10.00 C ATOM 1688 CG ASN A 116 -14.547 17.703 21.030 1.00 10.00 C ATOM 1689 OD1 ASN A 116 -15.163 16.879 20.382 1.00 10.00 O ATOM 1690 ND2 ASN A 116 -15.179 18.478 21.868 1.00 10.00 N ATOM 0 H ASN A 116 -11.334 15.182 20.364 1.00 10.00 H new ATOM 0 HA ASN A 116 -13.308 16.129 19.551 1.00 10.00 H new ATOM 0 HB2 ASN A 116 -12.537 17.648 21.826 1.00 10.00 H new ATOM 0 HB3 ASN A 116 -12.776 18.861 20.585 1.00 10.00 H new ATOM 0 HD21 ASN A 116 -16.189 18.392 21.979 1.00 10.00 H new ATOM 0 HD22 ASN A 116 -14.663 19.169 22.412 1.00 10.00 H new ATOM 1697 N ALA A 117 -11.206 17.086 17.799 1.00 10.00 N ATOM 1698 CA ALA A 117 -10.798 17.759 16.533 1.00 10.00 C ATOM 1699 C ALA A 117 -11.955 17.740 15.532 1.00 10.00 C ATOM 1700 O ALA A 117 -11.975 18.492 14.579 1.00 10.00 O ATOM 1701 CB ALA A 117 -9.619 16.940 16.010 1.00 50.00 C ATOM 0 H ALA A 117 -10.690 16.236 18.026 1.00 10.00 H new ATOM 0 HA ALA A 117 -10.528 18.804 16.687 1.00 10.00 H new ATOM 0 HB1 ALA A 117 -9.260 17.374 15.076 1.00 50.00 H new ATOM 0 HB2 ALA A 117 -8.815 16.948 16.746 1.00 50.00 H new ATOM 0 HB3 ALA A 117 -9.939 15.913 15.834 1.00 50.00 H new ATOM 1707 N LYS A 118 -12.922 16.889 15.743 1.00 12.50 N ATOM 1708 CA LYS A 118 -14.075 16.831 14.802 1.00 12.50 C ATOM 1709 C LYS A 118 -14.706 18.218 14.661 1.00 12.50 C ATOM 1710 O LYS A 118 -15.430 18.491 13.725 1.00 12.50 O ATOM 1711 CB LYS A 118 -15.062 15.854 15.445 1.00 12.50 C ATOM 1712 CG LYS A 118 -15.491 16.389 16.812 1.00 12.50 C ATOM 1713 CD LYS A 118 -16.926 15.947 17.106 1.00 12.50 C ATOM 1714 CE LYS A 118 -17.903 16.869 16.375 1.00 50.00 C ATOM 1715 NZ LYS A 118 -19.204 16.679 17.076 1.00 50.00 N ATOM 0 H LYS A 118 -12.963 16.234 16.524 1.00 12.50 H new ATOM 0 HA LYS A 118 -13.780 16.511 13.802 1.00 12.50 H new ATOM 0 HB2 LYS A 118 -15.933 15.725 14.803 1.00 12.50 H new ATOM 0 HB3 LYS A 118 -14.600 14.873 15.555 1.00 12.50 H new ATOM 0 HG2 LYS A 118 -14.819 16.019 17.586 1.00 12.50 H new ATOM 0 HG3 LYS A 118 -15.424 17.477 16.826 1.00 12.50 H new ATOM 0 HD2 LYS A 118 -17.073 14.916 16.785 1.00 12.50 H new ATOM 0 HD3 LYS A 118 -17.115 15.977 18.179 1.00 12.50 H new ATOM 0 HE2 LYS A 118 -17.577 17.908 16.422 1.00 50.00 H new ATOM 0 HE3 LYS A 118 -17.980 16.606 15.320 1.00 50.00 H new ATOM 0 HZ3 LYS A 118 -19.928 17.279 16.632 1.00 50.00 H new ATOM 1726 N HIS A 119 -14.434 19.097 15.587 1.00 50.00 N ATOM 1727 CA HIS A 119 -15.015 20.468 15.509 1.00 50.00 C ATOM 1728 C HIS A 119 -14.302 21.283 14.426 1.00 50.00 C ATOM 1729 O HIS A 119 -14.793 22.302 13.980 1.00 50.00 O ATOM 1730 CB HIS A 119 -14.774 21.079 16.891 1.00 50.00 C ATOM 1731 CG HIS A 119 -15.579 20.327 17.916 1.00 50.00 C ATOM 1732 ND1 HIS A 119 -16.943 20.127 17.781 1.00 50.00 N ATOM 1733 CD2 HIS A 119 -15.226 19.722 19.099 1.00 50.00 C ATOM 1734 CE1 HIS A 119 -17.359 19.428 18.853 1.00 50.00 C ATOM 1735 NE2 HIS A 119 -16.353 19.156 19.688 1.00 50.00 N ATOM 0 H HIS A 119 -13.835 18.925 16.394 1.00 50.00 H new ATOM 0 HA HIS A 119 -16.074 20.455 15.249 1.00 50.00 H new ATOM 0 HB2 HIS A 119 -13.714 21.035 17.141 1.00 50.00 H new ATOM 0 HB3 HIS A 119 -15.058 22.131 16.890 1.00 50.00 H new ATOM 0 HD1 HIS A 119 -17.526 20.451 17.009 1.00 50.00 H new ATOM 0 HD2 HIS A 119 -14.227 19.691 19.509 1.00 50.00 H new ATOM 0 HE1 HIS A 119 -18.382 19.124 19.018 1.00 50.00 H new ATOM 1743 N LEU A 120 -13.148 20.844 14.000 1.00 12.50 N ATOM 1744 CA LEU A 120 -12.409 21.598 12.945 1.00 12.50 C ATOM 1745 C LEU A 120 -13.367 22.030 11.833 1.00 12.50 C ATOM 1746 O LEU A 120 -14.231 21.282 11.418 1.00 12.50 O ATOM 1747 CB LEU A 120 -11.374 20.612 12.402 1.00 12.50 C ATOM 1748 CG LEU A 120 -9.976 21.219 12.525 1.00 12.50 C ATOM 1749 CD1 LEU A 120 -8.967 20.113 12.842 1.00 12.50 C ATOM 1750 CD2 LEU A 120 -9.596 21.895 11.207 1.00 12.50 C ATOM 0 H LEU A 120 -12.686 19.999 14.335 1.00 12.50 H new ATOM 0 HA LEU A 120 -11.945 22.503 13.336 1.00 12.50 H new ATOM 0 HB2 LEU A 120 -11.425 19.674 12.955 1.00 12.50 H new ATOM 0 HB3 LEU A 120 -11.590 20.379 11.359 1.00 12.50 H new ATOM 0 HG LEU A 120 -9.969 21.958 13.326 1.00 12.50 H new ATOM 0 HD11 LEU A 120 -7.970 20.544 12.930 1.00 12.50 H new ATOM 0 HD12 LEU A 120 -9.238 19.631 13.782 1.00 12.50 H new ATOM 0 HD13 LEU A 120 -8.973 19.374 12.041 1.00 12.50 H new ATOM 0 HD21 LEU A 120 -8.599 22.328 11.294 1.00 12.50 H new ATOM 0 HD22 LEU A 120 -9.602 21.157 10.405 1.00 12.50 H new ATOM 0 HD23 LEU A 120 -10.315 22.682 10.981 1.00 12.50 H new ATOM 1762 N ASP A 121 -13.221 23.230 11.343 1.00 50.00 N ATOM 1763 CA ASP A 121 -14.122 23.706 10.256 1.00 50.00 C ATOM 1764 C ASP A 121 -13.666 23.138 8.909 1.00 50.00 C ATOM 1765 O ASP A 121 -14.459 22.924 8.013 1.00 50.00 O ATOM 1766 CB ASP A 121 -13.988 25.229 10.269 1.00 50.00 C ATOM 1767 CG ASP A 121 -14.659 25.810 9.022 1.00 50.00 C ATOM 1768 OD1 ASP A 121 -15.861 25.645 8.889 1.00 50.00 O ATOM 1769 OD2 ASP A 121 -13.960 26.411 8.223 1.00 50.00 O ATOM 0 H ASP A 121 -12.517 23.902 11.648 1.00 50.00 H new ATOM 0 HA ASP A 121 -15.154 23.387 10.404 1.00 50.00 H new ATOM 0 HB2 ASP A 121 -14.450 25.638 11.168 1.00 50.00 H new ATOM 0 HB3 ASP A 121 -12.936 25.512 10.294 1.00 50.00 H new ATOM 1774 N TYR A 122 -12.393 22.891 8.761 1.00 16.66 N ATOM 1775 CA TYR A 122 -11.884 22.336 7.473 1.00 16.66 C ATOM 1776 C TYR A 122 -12.209 20.842 7.378 1.00 16.66 C ATOM 1777 O TYR A 122 -12.096 20.239 6.330 1.00 16.66 O ATOM 1778 CB TYR A 122 -10.372 22.553 7.522 1.00 16.66 C ATOM 1779 CG TYR A 122 -9.726 21.874 6.336 1.00 16.66 C ATOM 1780 CD1 TYR A 122 -10.102 22.230 5.036 1.00 16.66 C ATOM 1781 CD2 TYR A 122 -8.749 20.892 6.539 1.00 16.66 C ATOM 1782 CE1 TYR A 122 -9.502 21.602 3.937 1.00 16.66 C ATOM 1783 CE2 TYR A 122 -8.150 20.265 5.440 1.00 16.66 C ATOM 1784 CZ TYR A 122 -8.525 20.621 4.139 1.00 16.66 C ATOM 1785 OH TYR A 122 -7.932 20.003 3.057 1.00 16.66 O ATOM 0 H TYR A 122 -11.683 23.049 9.476 1.00 16.66 H new ATOM 0 HA TYR A 122 -12.338 22.816 6.606 1.00 16.66 H new ATOM 0 HB2 TYR A 122 -10.147 23.619 7.511 1.00 16.66 H new ATOM 0 HB3 TYR A 122 -9.966 22.151 8.450 1.00 16.66 H new ATOM 0 HD1 TYR A 122 -10.855 22.989 4.880 1.00 16.66 H new ATOM 0 HD2 TYR A 122 -8.458 20.618 7.542 1.00 16.66 H new ATOM 0 HE1 TYR A 122 -9.794 21.875 2.934 1.00 16.66 H new ATOM 0 HE2 TYR A 122 -7.398 19.506 5.596 1.00 16.66 H new ATOM 0 HH TYR A 122 -7.275 19.348 3.374 1.00 16.66 H new ATOM 1795 N LEU A 123 -12.611 20.243 8.465 1.00 50.00 N ATOM 1796 CA LEU A 123 -12.942 18.789 8.437 1.00 50.00 C ATOM 1797 C LEU A 123 -14.460 18.590 8.448 1.00 50.00 C ATOM 1798 O LEU A 123 -14.980 17.669 7.849 1.00 50.00 O ATOM 1799 CB LEU A 123 -12.320 18.220 9.713 1.00 50.00 C ATOM 1800 CG LEU A 123 -11.732 16.838 9.423 1.00 50.00 C ATOM 1801 CD1 LEU A 123 -10.496 16.617 10.298 1.00 50.00 C ATOM 1802 CD2 LEU A 123 -12.776 15.764 9.735 1.00 50.00 C ATOM 0 H LEU A 123 -12.725 20.697 9.371 1.00 50.00 H new ATOM 0 HA LEU A 123 -12.564 18.297 7.541 1.00 50.00 H new ATOM 0 HB2 LEU A 123 -11.541 18.888 10.080 1.00 50.00 H new ATOM 0 HB3 LEU A 123 -13.074 18.149 10.497 1.00 50.00 H new ATOM 0 HG LEU A 123 -11.450 16.776 8.372 1.00 50.00 H new ATOM 0 HD11 LEU A 123 -10.076 15.632 10.092 1.00 50.00 H new ATOM 0 HD12 LEU A 123 -9.752 17.382 10.077 1.00 50.00 H new ATOM 0 HD13 LEU A 123 -10.778 16.679 11.349 1.00 50.00 H new ATOM 0 HD21 LEU A 123 -12.358 14.779 9.529 1.00 50.00 H new ATOM 0 HD22 LEU A 123 -13.058 15.825 10.786 1.00 50.00 H new ATOM 0 HD23 LEU A 123 -13.657 15.922 9.113 1.00 50.00 H new ATOM 1814 N GLN A 124 -15.174 19.446 9.127 1.00 50.00 N ATOM 1815 CA GLN A 124 -16.657 19.305 9.179 1.00 50.00 C ATOM 1816 C GLN A 124 -17.272 19.648 7.820 1.00 50.00 C ATOM 1817 O GLN A 124 -18.345 19.190 7.480 1.00 50.00 O ATOM 1818 CB GLN A 124 -17.111 20.308 10.241 1.00 50.00 C ATOM 1819 CG GLN A 124 -18.632 20.236 10.393 1.00 50.00 C ATOM 1820 CD GLN A 124 -19.036 20.789 11.761 1.00 50.00 C ATOM 1821 OE1 GLN A 124 -20.096 20.477 12.266 1.00 50.00 O ATOM 1822 NE2 GLN A 124 -18.231 21.605 12.386 1.00 50.00 N ATOM 0 H GLN A 124 -14.795 20.237 9.648 1.00 50.00 H new ATOM 0 HA GLN A 124 -16.966 18.287 9.418 1.00 50.00 H new ATOM 0 HB2 GLN A 124 -16.629 20.089 11.194 1.00 50.00 H new ATOM 0 HB3 GLN A 124 -16.811 21.316 9.956 1.00 50.00 H new ATOM 0 HG2 GLN A 124 -19.115 20.808 9.601 1.00 50.00 H new ATOM 0 HG3 GLN A 124 -18.970 19.205 10.292 1.00 50.00 H new ATOM 0 HE21 GLN A 124 -17.341 21.867 11.962 1.00 50.00 H new ATOM 0 HE22 GLN A 124 -18.492 21.980 13.298 1.00 50.00 H new ATOM 1831 N ASN A 125 -16.601 20.449 7.039 1.00 50.00 N ATOM 1832 CA ASN A 125 -17.149 20.820 5.702 1.00 50.00 C ATOM 1833 C ASN A 125 -17.260 19.579 4.813 1.00 50.00 C ATOM 1834 O ASN A 125 -17.858 19.611 3.756 1.00 50.00 O ATOM 1835 CB ASN A 125 -16.138 21.807 5.119 1.00 50.00 C ATOM 1836 CG ASN A 125 -16.681 23.232 5.250 1.00 50.00 C ATOM 1837 OD1 ASN A 125 -17.446 23.522 6.149 1.00 50.00 O ATOM 1838 ND2 ASN A 125 -16.317 24.138 4.386 1.00 50.00 N ATOM 0 H ASN A 125 -15.697 20.863 7.268 1.00 50.00 H new ATOM 0 HA ASN A 125 -18.147 21.252 5.771 1.00 50.00 H new ATOM 0 HB2 ASN A 125 -15.186 21.720 5.642 1.00 50.00 H new ATOM 0 HB3 ASN A 125 -15.949 21.574 4.071 1.00 50.00 H new ATOM 0 HD21 ASN A 125 -16.674 25.090 4.464 1.00 50.00 H new ATOM 0 HD22 ASN A 125 -15.675 23.895 3.632 1.00 50.00 H new ATOM 1845 N ARG A 126 -16.686 18.484 5.233 1.00 50.00 N ATOM 1846 CA ARG A 126 -16.758 17.243 4.411 1.00 50.00 C ATOM 1847 C ARG A 126 -18.218 16.822 4.214 1.00 50.00 C ATOM 1848 O ARG A 126 -18.576 16.246 3.207 1.00 50.00 O ATOM 1849 CB ARG A 126 -15.999 16.191 5.220 1.00 50.00 C ATOM 1850 CG ARG A 126 -16.028 14.855 4.474 1.00 50.00 C ATOM 1851 CD ARG A 126 -14.956 14.857 3.383 1.00 50.00 C ATOM 1852 NE ARG A 126 -15.385 13.800 2.425 1.00 50.00 N ATOM 1853 CZ ARG A 126 -14.545 12.871 2.060 1.00 50.00 C ATOM 1854 NH1 ARG A 126 -13.936 12.959 0.910 1.00 50.00 N ATOM 1855 NH2 ARG A 126 -14.315 11.855 2.846 1.00 50.00 N ATOM 0 H ARG A 126 -16.171 18.396 6.109 1.00 50.00 H new ATOM 0 HA ARG A 126 -16.332 17.379 3.417 1.00 50.00 H new ATOM 0 HB2 ARG A 126 -14.969 16.510 5.376 1.00 50.00 H new ATOM 0 HB3 ARG A 126 -16.451 16.079 6.206 1.00 50.00 H new ATOM 0 HG2 ARG A 126 -15.853 14.034 5.169 1.00 50.00 H new ATOM 0 HG3 ARG A 126 -17.011 14.694 4.032 1.00 50.00 H new ATOM 0 HD2 ARG A 126 -14.890 15.830 2.895 1.00 50.00 H new ATOM 0 HD3 ARG A 126 -13.971 14.640 3.796 1.00 50.00 H new ATOM 0 HE ARG A 126 -16.335 13.803 2.054 1.00 50.00 H new ATOM 0 HH11 ARG A 126 -14.117 13.754 0.297 1.00 50.00 H new ATOM 0 HH12 ARG A 126 -13.279 12.233 0.624 1.00 50.00 H new ATOM 0 HH21 ARG A 126 -14.792 11.788 3.745 1.00 50.00 H new ATOM 0 HH22 ARG A 126 -13.658 11.128 2.561 1.00 50.00 H new ATOM 1869 N VAL A 127 -19.061 17.108 5.168 1.00 50.00 N ATOM 1870 CA VAL A 127 -20.498 16.724 5.032 1.00 50.00 C ATOM 1871 C VAL A 127 -21.224 17.707 4.109 1.00 50.00 C ATOM 1872 O VAL A 127 -21.719 18.729 4.542 1.00 50.00 O ATOM 1873 CB VAL A 127 -21.071 16.795 6.448 1.00 50.00 C ATOM 1874 CG1 VAL A 127 -20.482 15.666 7.295 1.00 50.00 C ATOM 1875 CG2 VAL A 127 -20.718 18.145 7.079 1.00 50.00 C ATOM 0 H VAL A 127 -18.820 17.590 6.034 1.00 50.00 H new ATOM 0 HA VAL A 127 -20.617 15.732 4.597 1.00 50.00 H new ATOM 0 HB VAL A 127 -22.155 16.689 6.404 1.00 50.00 H new ATOM 0 HG11 VAL A 127 -20.891 15.717 8.304 1.00 50.00 H new ATOM 0 HG12 VAL A 127 -20.737 14.705 6.848 1.00 50.00 H new ATOM 0 HG13 VAL A 127 -19.398 15.770 7.337 1.00 50.00 H new ATOM 0 HG21 VAL A 127 -21.127 18.193 8.088 1.00 50.00 H new ATOM 0 HG22 VAL A 127 -19.634 18.255 7.122 1.00 50.00 H new ATOM 0 HG23 VAL A 127 -21.141 18.950 6.477 1.00 50.00 H new ATOM 1885 N ILE A 128 -21.289 17.407 2.841 1.00 50.00 N ATOM 1886 CA ILE A 128 -21.983 18.324 1.892 1.00 50.00 C ATOM 1887 C ILE A 128 -23.487 18.040 1.884 1.00 50.00 C ATOM 1888 O ILE A 128 -23.912 17.180 2.638 1.00 50.00 O ATOM 1889 CB ILE A 128 -21.371 18.014 0.524 1.00 50.00 C ATOM 1890 CG1 ILE A 128 -21.843 16.636 0.054 1.00 50.00 C ATOM 1891 CG2 ILE A 128 -19.845 18.021 0.635 1.00 50.00 C ATOM 1892 CD1 ILE A 128 -21.337 16.381 -1.366 1.00 50.00 C ATOM 1893 OXT ILE A 128 -24.188 18.687 1.123 1.00 50.00 O ATOM 0 H ILE A 128 -20.892 16.567 2.421 1.00 50.00 H new ATOM 0 HA ILE A 128 -21.861 19.372 2.166 1.00 50.00 H new ATOM 0 HB ILE A 128 -21.686 18.770 -0.195 1.00 50.00 H new ATOM 0 HG12 ILE A 128 -21.472 15.864 0.728 1.00 50.00 H new ATOM 0 HG13 ILE A 128 -22.932 16.585 0.078 1.00 50.00 H new ATOM 0 HG21 ILE A 128 -19.408 17.800 -0.339 1.00 50.00 H new ATOM 0 HG22 ILE A 128 -19.509 19.003 0.969 1.00 50.00 H new ATOM 0 HG23 ILE A 128 -19.529 17.265 1.354 1.00 50.00 H new ATOM 0 HD11 ILE A 128 -21.673 15.400 -1.701 1.00 50.00 H new ATOM 0 HD12 ILE A 128 -21.729 17.147 -2.035 1.00 50.00 H new ATOM 0 HD13 ILE A 128 -20.248 16.414 -1.376 1.00 50.00 H new TER 1905 ILE A 128 HETATM 1906 C ACE A 129 -20.166 16.034 16.476 1.00 0.00 C HETATM 1907 O ACE A 129 -19.977 15.458 15.423 1.00 0.00 O HETATM 1908 CH3 ACE A 129 -21.541 16.031 17.146 1.00 0.00 C HETATM 0 H1 ACE A 129 -21.464 15.576 18.133 1.00 0.00 H new HETATM 0 H2 ACE A 129 -21.899 17.056 17.246 1.00 0.00 H new HETATM 0 H3 ACE A 129 -22.241 15.459 16.537 1.00 0.00 H new HETATM 1912 FE1 FES A 130 -11.718 5.574 14.246 1.00 0.00 FE HETATM 1913 FE2 FES A 130 -11.265 7.122 16.365 1.00 0.00 FE HETATM 1914 S1 FES A 130 -9.859 5.586 15.513 1.00 0.00 S HETATM 1915 S2 FES A 130 -13.149 7.063 15.138 1.00 0.00 S