USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot -49:sc= 1.46 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.147 F(o=0.96,f=2.4) USER MOD Set 1.3: A 105 SER OG : rot -161:sc= 1.11 USER MOD Set 2.1: A 80 SER OG : rot 141:sc= 1.12 USER MOD Set 2.2: A 91 TYR OH : rot -130:sc= 1.62 USER MOD Set 3.1: A 87 LYS NZ :NH3+ 180:sc= 1.06 (180deg=0) USER MOD Set 3.2: A 89 HIS : no HD1:sc= 0 X(o=2,f=2) USER MOD Set 3.3: A 119 THR OG1 : rot 40:sc= 0.917 USER MOD Set 4.1: A 64 MET CE :methyl -171:sc= -0.246 (180deg=-0.372) USER MOD Set 4.2: A 67 GLN : amide:sc= 1.06 K(o=0.81,f=-0.57) USER MOD Set 5.1: A 28 HIS : no HD1:sc= 1.02 K(o=2.2,f=-5.8!) USER MOD Set 5.2: A 40 SER OG : rot -115:sc= 1.2 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 2.42 (180deg=2.28) USER MOD Single : A 29 SER OG : rot -160:sc= 0.0122 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 2.27 (180deg=1.36) USER MOD Single : A 47 TYR OH : rot 179:sc= 1.26 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -2.45! C(o=-2.5!,f=-5.7!) USER MOD Single : A 57 TYR OH : rot -4:sc= 0.192 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 0.102 (180deg=0) USER MOD Single : A 61 SER OG : rot 85:sc= 1.1 USER MOD Single : A 65 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.58) USER MOD Single : A 69 CYS SG : rot 160:sc=-0.00923 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.54 USER MOD Single : A 73 CYS SG : rot 152:sc= 1.85 USER MOD Single : A 81 HIS : no HE2:sc= 0.404 K(o=0.4,f=-1.7) USER MOD Single : A 82 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.24) USER MOD Single : A 83 SER OG : rot 174:sc= 1.28 USER MOD Single : A 84 GLN : amide:sc= 1.21 K(o=1.2,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.23) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -72:sc= 1.62 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 80:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot -69:sc= 0.718 USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= 0.888 (180deg=0.704) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot -120:sc= 0.318 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.28 K(o=-0.28,f=-0.97) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.706 16.317 15.833 1.00 0.00 N ATOM 2 CA MET A 1 9.477 15.205 15.226 1.00 0.00 C ATOM 3 C MET A 1 8.513 14.151 14.669 1.00 0.00 C ATOM 4 O MET A 1 7.601 13.705 15.371 1.00 0.00 O ATOM 5 CB MET A 1 10.472 14.593 16.235 1.00 0.00 C ATOM 6 CG MET A 1 11.361 13.499 15.619 1.00 0.00 C ATOM 7 SD MET A 1 12.333 13.980 14.159 1.00 0.00 S ATOM 8 CE MET A 1 13.563 15.079 14.916 1.00 0.00 C ATOM 0 H1 MET A 1 9.363 17.030 16.210 1.00 0.00 H new ATOM 0 H2 MET A 1 8.099 16.753 15.110 1.00 0.00 H new ATOM 0 H3 MET A 1 8.115 15.949 16.605 1.00 0.00 H new ATOM 0 HA MET A 1 10.071 15.599 14.401 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.105 15.384 16.637 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.917 14.172 17.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.049 13.144 16.387 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.727 12.656 15.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.236 15.457 14.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.056 15.915 15.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.137 14.526 15.659 1.00 0.00 H new ATOM 20 N ALA A 2 8.710 13.745 13.410 1.00 0.00 N ATOM 21 CA ALA A 2 7.952 12.694 12.736 1.00 0.00 C ATOM 22 C ALA A 2 8.855 12.032 11.689 1.00 0.00 C ATOM 23 O ALA A 2 9.899 12.586 11.325 1.00 0.00 O ATOM 24 CB ALA A 2 6.710 13.299 12.064 1.00 0.00 C ATOM 0 H ALA A 2 9.428 14.156 12.814 1.00 0.00 H new ATOM 0 HA ALA A 2 7.624 11.947 13.458 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.148 12.511 11.562 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.081 13.770 12.819 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.019 14.046 11.333 1.00 0.00 H new ATOM 30 N VAL A 3 8.451 10.861 11.196 1.00 0.00 N ATOM 31 CA VAL A 3 9.125 10.164 10.108 1.00 0.00 C ATOM 32 C VAL A 3 9.015 10.966 8.797 1.00 0.00 C ATOM 33 O VAL A 3 8.182 11.872 8.677 1.00 0.00 O ATOM 34 CB VAL A 3 8.549 8.735 9.984 1.00 0.00 C ATOM 35 CG1 VAL A 3 8.812 7.922 11.261 1.00 0.00 C ATOM 36 CG2 VAL A 3 7.043 8.679 9.679 1.00 0.00 C ATOM 0 H VAL A 3 7.633 10.365 11.549 1.00 0.00 H new ATOM 0 HA VAL A 3 10.190 10.077 10.325 1.00 0.00 H new ATOM 0 HB VAL A 3 9.071 8.305 9.129 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.396 6.921 11.147 1.00 0.00 H new ATOM 0 HG12 VAL A 3 9.886 7.852 11.433 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.340 8.416 12.110 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.724 7.639 9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.491 9.175 10.478 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.844 9.184 8.734 1.00 0.00 H new ATOM 46 N ALA A 4 9.853 10.628 7.806 1.00 0.00 N ATOM 47 CA ALA A 4 9.718 11.147 6.446 1.00 0.00 C ATOM 48 C ALA A 4 8.418 10.621 5.808 1.00 0.00 C ATOM 49 O ALA A 4 7.695 9.814 6.396 1.00 0.00 O ATOM 50 CB ALA A 4 10.959 10.779 5.617 1.00 0.00 C ATOM 0 H ALA A 4 10.639 9.989 7.929 1.00 0.00 H new ATOM 0 HA ALA A 4 9.653 12.235 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.850 11.170 4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.847 11.211 6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.062 9.695 5.578 1.00 0.00 H new ATOM 56 N ASP A 5 8.128 11.045 4.579 1.00 0.00 N ATOM 57 CA ASP A 5 6.932 10.657 3.835 1.00 0.00 C ATOM 58 C ASP A 5 7.298 10.589 2.357 1.00 0.00 C ATOM 59 O ASP A 5 8.235 11.267 1.932 1.00 0.00 O ATOM 60 CB ASP A 5 5.818 11.689 4.068 1.00 0.00 C ATOM 61 CG ASP A 5 4.568 11.345 3.248 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.771 10.490 3.694 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.404 11.904 2.143 1.00 0.00 O ATOM 0 H ASP A 5 8.733 11.683 4.061 1.00 0.00 H new ATOM 0 HA ASP A 5 6.569 9.686 4.171 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.564 11.722 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.175 12.682 3.794 1.00 0.00 H new ATOM 68 N LEU A 6 6.566 9.801 1.565 1.00 0.00 N ATOM 69 CA LEU A 6 6.807 9.637 0.136 1.00 0.00 C ATOM 70 C LEU A 6 6.882 10.971 -0.614 1.00 0.00 C ATOM 71 O LEU A 6 7.659 11.085 -1.561 1.00 0.00 O ATOM 72 CB LEU A 6 5.696 8.780 -0.489 1.00 0.00 C ATOM 73 CG LEU A 6 5.716 7.271 -0.186 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.647 6.596 -1.049 1.00 0.00 C ATOM 75 CD2 LEU A 6 7.069 6.611 -0.466 1.00 0.00 C ATOM 0 H LEU A 6 5.778 9.252 1.908 1.00 0.00 H new ATOM 0 HA LEU A 6 7.776 9.147 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.736 9.178 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.739 8.908 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 6 5.521 7.149 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.643 5.524 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.669 7.013 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.867 6.769 -2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.011 5.548 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.324 6.736 -1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.836 7.078 0.151 1.00 0.00 H new ATOM 87 N ALA A 7 6.103 11.978 -0.210 1.00 0.00 N ATOM 88 CA ALA A 7 6.104 13.290 -0.840 1.00 0.00 C ATOM 89 C ALA A 7 7.394 14.072 -0.552 1.00 0.00 C ATOM 90 O ALA A 7 7.746 14.974 -1.314 1.00 0.00 O ATOM 91 CB ALA A 7 4.889 14.093 -0.367 1.00 0.00 C ATOM 0 H ALA A 7 5.451 11.899 0.570 1.00 0.00 H new ATOM 0 HA ALA A 7 6.051 13.137 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.894 15.074 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.975 13.564 -0.638 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.931 14.213 0.716 1.00 0.00 H new ATOM 97 N LEU A 8 8.084 13.753 0.550 1.00 0.00 N ATOM 98 CA LEU A 8 9.321 14.412 0.961 1.00 0.00 C ATOM 99 C LEU A 8 10.537 13.749 0.309 1.00 0.00 C ATOM 100 O LEU A 8 11.592 14.379 0.236 1.00 0.00 O ATOM 101 CB LEU A 8 9.471 14.388 2.495 1.00 0.00 C ATOM 102 CG LEU A 8 8.349 15.109 3.270 1.00 0.00 C ATOM 103 CD1 LEU A 8 8.577 14.951 4.778 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.261 16.601 2.926 1.00 0.00 C ATOM 0 H LEU A 8 7.789 13.015 1.190 1.00 0.00 H new ATOM 0 HA LEU A 8 9.269 15.449 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.511 13.350 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.425 14.844 2.759 1.00 0.00 H new ATOM 0 HG LEU A 8 7.407 14.646 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.782 15.462 5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.572 13.892 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.539 15.386 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.455 17.060 3.499 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.205 17.088 3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.061 16.718 1.861 1.00 0.00 H new ATOM 116 N ILE A 9 10.412 12.505 -0.170 1.00 0.00 N ATOM 117 CA ILE A 9 11.454 11.848 -0.956 1.00 0.00 C ATOM 118 C ILE A 9 11.699 12.720 -2.208 1.00 0.00 C ATOM 119 O ILE A 9 10.721 13.060 -2.884 1.00 0.00 O ATOM 120 CB ILE A 9 11.037 10.401 -1.312 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.791 9.580 -0.025 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.119 9.716 -2.162 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.357 8.133 -0.269 1.00 0.00 C ATOM 0 H ILE A 9 9.584 11.929 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 9 12.382 11.759 -0.390 1.00 0.00 H new ATOM 0 HB ILE A 9 10.114 10.448 -1.889 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.705 9.577 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.026 10.080 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.805 8.700 -2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.266 10.277 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.055 9.685 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.207 7.632 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.425 8.123 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.130 7.612 -0.834 1.00 0.00 H new ATOM 135 N PRO A 10 12.953 13.098 -2.533 1.00 0.00 N ATOM 136 CA PRO A 10 13.278 13.815 -3.764 1.00 0.00 C ATOM 137 C PRO A 10 12.723 13.085 -4.987 1.00 0.00 C ATOM 138 O PRO A 10 12.831 11.859 -5.070 1.00 0.00 O ATOM 139 CB PRO A 10 14.809 13.901 -3.811 1.00 0.00 C ATOM 140 CG PRO A 10 15.217 13.797 -2.344 1.00 0.00 C ATOM 141 CD PRO A 10 14.158 12.871 -1.750 1.00 0.00 C ATOM 0 HA PRO A 10 12.829 14.808 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.238 13.094 -4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.145 14.838 -4.256 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.220 13.384 -2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.218 14.772 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.472 11.829 -1.808 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.989 13.095 -0.697 1.00 0.00 H new ATOM 149 N ASP A 11 12.158 13.814 -5.950 1.00 0.00 N ATOM 150 CA ASP A 11 11.420 13.198 -7.057 1.00 0.00 C ATOM 151 C ASP A 11 12.353 12.811 -8.209 1.00 0.00 C ATOM 152 O ASP A 11 12.294 11.691 -8.722 1.00 0.00 O ATOM 153 CB ASP A 11 10.323 14.160 -7.527 1.00 0.00 C ATOM 154 CG ASP A 11 9.282 13.449 -8.396 1.00 0.00 C ATOM 155 OD1 ASP A 11 8.631 12.505 -7.890 1.00 0.00 O ATOM 156 OD2 ASP A 11 9.053 13.871 -9.547 1.00 0.00 O ATOM 0 H ASP A 11 12.196 14.833 -5.987 1.00 0.00 H new ATOM 0 HA ASP A 11 10.960 12.275 -6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.832 14.604 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.772 14.977 -8.092 1.00 0.00 H new ATOM 161 N VAL A 12 13.314 13.676 -8.545 1.00 0.00 N ATOM 162 CA VAL A 12 14.261 13.484 -9.643 1.00 0.00 C ATOM 163 C VAL A 12 15.614 14.036 -9.198 1.00 0.00 C ATOM 164 O VAL A 12 15.676 15.090 -8.563 1.00 0.00 O ATOM 165 CB VAL A 12 13.772 14.226 -10.908 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.725 14.076 -12.106 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.378 13.772 -11.347 1.00 0.00 C ATOM 0 H VAL A 12 13.457 14.554 -8.045 1.00 0.00 H new ATOM 0 HA VAL A 12 14.346 12.425 -9.887 1.00 0.00 H new ATOM 0 HB VAL A 12 13.742 15.274 -10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.323 14.620 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.703 14.480 -11.846 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.825 13.021 -12.362 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.080 14.323 -12.239 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.396 12.705 -11.568 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.664 13.965 -10.546 1.00 0.00 H new ATOM 177 N ASP A 13 16.689 13.337 -9.559 1.00 0.00 N ATOM 178 CA ASP A 13 18.063 13.806 -9.430 1.00 0.00 C ATOM 179 C ASP A 13 18.876 13.006 -10.442 1.00 0.00 C ATOM 180 O ASP A 13 18.939 11.781 -10.342 1.00 0.00 O ATOM 181 CB ASP A 13 18.611 13.608 -8.011 1.00 0.00 C ATOM 182 CG ASP A 13 20.086 14.031 -7.938 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.418 15.165 -8.354 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.915 13.243 -7.434 1.00 0.00 O ATOM 0 H ASP A 13 16.623 12.402 -9.961 1.00 0.00 H new ATOM 0 HA ASP A 13 18.120 14.878 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.024 14.193 -7.303 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.512 12.562 -7.720 1.00 0.00 H new ATOM 189 N ILE A 14 19.418 13.671 -11.461 1.00 0.00 N ATOM 190 CA ILE A 14 20.114 13.039 -12.577 1.00 0.00 C ATOM 191 C ILE A 14 21.305 13.914 -12.976 1.00 0.00 C ATOM 192 O ILE A 14 21.331 15.109 -12.666 1.00 0.00 O ATOM 193 CB ILE A 14 19.162 12.803 -13.782 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.527 14.110 -14.322 1.00 0.00 C ATOM 195 CG2 ILE A 14 18.073 11.768 -13.440 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.775 13.931 -15.646 1.00 0.00 C ATOM 0 H ILE A 14 19.384 14.688 -11.534 1.00 0.00 H new ATOM 0 HA ILE A 14 20.472 12.058 -12.265 1.00 0.00 H new ATOM 0 HB ILE A 14 19.784 12.404 -14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.839 14.505 -13.574 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.311 14.855 -14.458 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.423 11.625 -14.303 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.542 10.820 -13.178 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.483 12.126 -12.597 1.00 0.00 H new ATOM 0 HD11 ILE A 14 17.359 14.888 -15.960 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.463 13.567 -16.409 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.968 13.211 -15.512 1.00 0.00 H new ATOM 208 N ASP A 15 22.282 13.328 -13.669 1.00 0.00 N ATOM 209 CA ASP A 15 23.363 14.084 -14.299 1.00 0.00 C ATOM 210 C ASP A 15 22.757 15.028 -15.350 1.00 0.00 C ATOM 211 O ASP A 15 21.972 14.597 -16.196 1.00 0.00 O ATOM 212 CB ASP A 15 24.389 13.121 -14.911 1.00 0.00 C ATOM 213 CG ASP A 15 25.556 13.847 -15.603 1.00 0.00 C ATOM 214 OD1 ASP A 15 25.850 15.015 -15.262 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.227 13.214 -16.446 1.00 0.00 O ATOM 0 H ASP A 15 22.346 12.320 -13.809 1.00 0.00 H new ATOM 0 HA ASP A 15 23.891 14.686 -13.560 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.784 12.474 -14.128 1.00 0.00 H new ATOM 0 HB3 ASP A 15 23.889 12.477 -15.634 1.00 0.00 H new ATOM 220 N SER A 16 23.066 16.323 -15.268 1.00 0.00 N ATOM 221 CA SER A 16 22.405 17.371 -16.041 1.00 0.00 C ATOM 222 C SER A 16 22.664 17.301 -17.553 1.00 0.00 C ATOM 223 O SER A 16 21.815 17.743 -18.328 1.00 0.00 O ATOM 224 CB SER A 16 22.856 18.736 -15.504 1.00 0.00 C ATOM 225 OG SER A 16 22.804 18.772 -14.083 1.00 0.00 O ATOM 0 H SER A 16 23.796 16.677 -14.651 1.00 0.00 H new ATOM 0 HA SER A 16 21.332 17.223 -15.917 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.872 18.944 -15.839 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.219 19.520 -15.914 1.00 0.00 H new ATOM 0 HG SER A 16 23.098 19.652 -13.767 1.00 0.00 H new ATOM 231 N ASP A 17 23.823 16.796 -17.987 1.00 0.00 N ATOM 232 CA ASP A 17 24.281 16.862 -19.378 1.00 0.00 C ATOM 233 C ASP A 17 25.333 15.780 -19.600 1.00 0.00 C ATOM 234 O ASP A 17 26.291 15.704 -18.826 1.00 0.00 O ATOM 235 CB ASP A 17 24.909 18.240 -19.643 1.00 0.00 C ATOM 236 CG ASP A 17 25.569 18.316 -21.026 1.00 0.00 C ATOM 237 OD1 ASP A 17 24.877 18.682 -21.998 1.00 0.00 O ATOM 238 OD2 ASP A 17 26.795 18.089 -21.129 1.00 0.00 O ATOM 0 H ASP A 17 24.481 16.321 -17.370 1.00 0.00 H new ATOM 0 HA ASP A 17 23.439 16.710 -20.054 1.00 0.00 H new ATOM 0 HB2 ASP A 17 24.141 19.009 -19.566 1.00 0.00 H new ATOM 0 HB3 ASP A 17 25.652 18.453 -18.875 1.00 0.00 H new ATOM 243 N GLY A 18 25.163 14.938 -20.625 1.00 0.00 N ATOM 244 CA GLY A 18 26.111 13.878 -20.940 1.00 0.00 C ATOM 245 C GLY A 18 25.439 12.676 -21.597 1.00 0.00 C ATOM 246 O GLY A 18 24.342 12.772 -22.155 1.00 0.00 O ATOM 0 H GLY A 18 24.363 14.977 -21.256 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.882 14.269 -21.605 1.00 0.00 H new ATOM 0 HA3 GLY A 18 26.611 13.557 -20.026 1.00 0.00 H new ATOM 250 N VAL A 19 26.119 11.534 -21.496 1.00 0.00 N ATOM 251 CA VAL A 19 25.688 10.231 -21.986 1.00 0.00 C ATOM 252 C VAL A 19 25.858 9.284 -20.796 1.00 0.00 C ATOM 253 O VAL A 19 26.983 9.067 -20.337 1.00 0.00 O ATOM 254 CB VAL A 19 26.533 9.829 -23.219 1.00 0.00 C ATOM 255 CG1 VAL A 19 26.174 8.430 -23.738 1.00 0.00 C ATOM 256 CG2 VAL A 19 26.372 10.837 -24.372 1.00 0.00 C ATOM 0 H VAL A 19 27.033 11.494 -21.046 1.00 0.00 H new ATOM 0 HA VAL A 19 24.654 10.214 -22.330 1.00 0.00 H new ATOM 0 HB VAL A 19 27.569 9.826 -22.879 1.00 0.00 H new ATOM 0 HG11 VAL A 19 26.793 8.193 -24.603 1.00 0.00 H new ATOM 0 HG12 VAL A 19 26.350 7.694 -22.953 1.00 0.00 H new ATOM 0 HG13 VAL A 19 25.123 8.408 -24.027 1.00 0.00 H new ATOM 0 HG21 VAL A 19 26.980 10.521 -25.219 1.00 0.00 H new ATOM 0 HG22 VAL A 19 25.325 10.881 -24.673 1.00 0.00 H new ATOM 0 HG23 VAL A 19 26.696 11.824 -24.041 1.00 0.00 H new ATOM 266 N PHE A 20 24.750 8.784 -20.244 1.00 0.00 N ATOM 267 CA PHE A 20 24.727 7.976 -19.028 1.00 0.00 C ATOM 268 C PHE A 20 23.438 7.154 -18.975 1.00 0.00 C ATOM 269 O PHE A 20 22.535 7.341 -19.791 1.00 0.00 O ATOM 270 CB PHE A 20 24.842 8.875 -17.784 1.00 0.00 C ATOM 271 CG PHE A 20 23.694 9.857 -17.602 1.00 0.00 C ATOM 272 CD1 PHE A 20 23.692 11.087 -18.289 1.00 0.00 C ATOM 273 CD2 PHE A 20 22.614 9.533 -16.759 1.00 0.00 C ATOM 274 CE1 PHE A 20 22.615 11.978 -18.141 1.00 0.00 C ATOM 275 CE2 PHE A 20 21.542 10.429 -16.601 1.00 0.00 C ATOM 276 CZ PHE A 20 21.542 11.651 -17.294 1.00 0.00 C ATOM 0 H PHE A 20 23.823 8.935 -20.642 1.00 0.00 H new ATOM 0 HA PHE A 20 25.579 7.296 -19.039 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.904 8.242 -16.899 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.776 9.435 -17.842 1.00 0.00 H new ATOM 0 HD1 PHE A 20 24.521 11.346 -18.931 1.00 0.00 H new ATOM 0 HD2 PHE A 20 22.609 8.591 -16.231 1.00 0.00 H new ATOM 0 HE1 PHE A 20 22.612 12.915 -18.679 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.720 10.178 -15.948 1.00 0.00 H new ATOM 0 HZ PHE A 20 20.718 12.339 -17.176 1.00 0.00 H new ATOM 286 N LYS A 21 23.331 6.245 -18.002 1.00 0.00 N ATOM 287 CA LYS A 21 22.208 5.319 -17.878 1.00 0.00 C ATOM 288 C LYS A 21 21.418 5.652 -16.619 1.00 0.00 C ATOM 289 O LYS A 21 21.962 6.216 -15.667 1.00 0.00 O ATOM 290 CB LYS A 21 22.747 3.878 -17.900 1.00 0.00 C ATOM 291 CG LYS A 21 23.120 3.455 -19.334 1.00 0.00 C ATOM 292 CD LYS A 21 24.224 2.392 -19.415 1.00 0.00 C ATOM 293 CE LYS A 21 25.594 3.046 -19.173 1.00 0.00 C ATOM 294 NZ LYS A 21 26.723 2.127 -19.449 1.00 0.00 N ATOM 0 H LYS A 21 24.032 6.132 -17.270 1.00 0.00 H new ATOM 0 HA LYS A 21 21.517 5.416 -18.715 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.622 3.802 -17.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.996 3.198 -17.499 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.228 3.073 -19.831 1.00 0.00 H new ATOM 0 HG3 LYS A 21 23.441 4.337 -19.888 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.047 1.613 -18.674 1.00 0.00 H new ATOM 0 HD3 LYS A 21 24.208 1.911 -20.393 1.00 0.00 H new ATOM 0 HE2 LYS A 21 25.687 3.929 -19.805 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.652 3.386 -18.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 27.622 2.633 -19.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 26.682 1.320 -18.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 26.658 1.782 -20.428 1.00 0.00 H new ATOM 308 N TYR A 22 20.124 5.337 -16.633 1.00 0.00 N ATOM 309 CA TYR A 22 19.177 5.765 -15.611 1.00 0.00 C ATOM 310 C TYR A 22 18.209 4.606 -15.304 1.00 0.00 C ATOM 311 O TYR A 22 18.180 3.600 -16.028 1.00 0.00 O ATOM 312 CB TYR A 22 18.488 7.080 -16.061 1.00 0.00 C ATOM 313 CG TYR A 22 17.058 6.901 -16.497 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.786 6.350 -17.757 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.025 7.109 -15.565 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.494 5.894 -18.045 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.732 6.650 -15.846 1.00 0.00 C ATOM 318 CZ TYR A 22 14.482 5.996 -17.066 1.00 0.00 C ATOM 319 OH TYR A 22 13.271 5.427 -17.263 1.00 0.00 O ATOM 0 H TYR A 22 19.700 4.769 -17.366 1.00 0.00 H new ATOM 0 HA TYR A 22 19.678 6.000 -14.672 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.520 7.795 -15.239 1.00 0.00 H new ATOM 0 HB3 TYR A 22 19.057 7.514 -16.883 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.567 6.278 -18.500 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.228 7.621 -14.636 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.273 5.466 -19.012 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.934 6.797 -15.133 1.00 0.00 H new ATOM 0 HH TYR A 22 12.932 5.678 -18.147 1.00 0.00 H new ATOM 329 N VAL A 23 17.426 4.741 -14.233 1.00 0.00 N ATOM 330 CA VAL A 23 16.432 3.775 -13.786 1.00 0.00 C ATOM 331 C VAL A 23 15.204 4.537 -13.251 1.00 0.00 C ATOM 332 O VAL A 23 15.330 5.665 -12.755 1.00 0.00 O ATOM 333 CB VAL A 23 17.102 2.829 -12.758 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.418 3.520 -11.421 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.300 1.546 -12.506 1.00 0.00 C ATOM 0 H VAL A 23 17.472 5.563 -13.630 1.00 0.00 H new ATOM 0 HA VAL A 23 16.066 3.145 -14.596 1.00 0.00 H new ATOM 0 HB VAL A 23 18.046 2.548 -13.224 1.00 0.00 H new ATOM 0 HG11 VAL A 23 17.886 2.805 -10.744 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.098 4.354 -11.594 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.495 3.891 -10.976 1.00 0.00 H new ATOM 0 HG21 VAL A 23 16.823 0.927 -11.777 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.313 1.803 -12.122 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.193 0.994 -13.440 1.00 0.00 H new ATOM 345 N LEU A 24 14.026 3.909 -13.319 1.00 0.00 N ATOM 346 CA LEU A 24 12.767 4.416 -12.779 1.00 0.00 C ATOM 347 C LEU A 24 12.393 3.443 -11.670 1.00 0.00 C ATOM 348 O LEU A 24 12.162 2.267 -11.967 1.00 0.00 O ATOM 349 CB LEU A 24 11.686 4.445 -13.884 1.00 0.00 C ATOM 350 CG LEU A 24 10.302 5.000 -13.460 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.374 6.488 -13.120 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.280 4.788 -14.581 1.00 0.00 C ATOM 0 H LEU A 24 13.923 3.000 -13.769 1.00 0.00 H new ATOM 0 HA LEU A 24 12.854 5.436 -12.404 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.058 5.045 -14.714 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.550 3.431 -14.260 1.00 0.00 H new ATOM 0 HG LEU A 24 9.991 4.456 -12.568 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.386 6.843 -12.827 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.072 6.640 -12.297 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.715 7.045 -13.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.312 5.182 -14.270 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.612 5.308 -15.479 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.187 3.723 -14.792 1.00 0.00 H new ATOM 364 N ILE A 25 12.367 3.883 -10.409 1.00 0.00 N ATOM 365 CA ILE A 25 12.107 2.984 -9.285 1.00 0.00 C ATOM 366 C ILE A 25 10.853 3.442 -8.553 1.00 0.00 C ATOM 367 O ILE A 25 10.681 4.631 -8.286 1.00 0.00 O ATOM 368 CB ILE A 25 13.349 2.730 -8.374 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.254 3.298 -6.940 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.704 3.133 -8.991 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.320 2.743 -5.990 1.00 0.00 C ATOM 0 H ILE A 25 12.523 4.855 -10.143 1.00 0.00 H new ATOM 0 HA ILE A 25 11.909 1.986 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 25 13.320 1.643 -8.298 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.345 4.383 -6.981 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.267 3.076 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.504 2.918 -8.283 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.869 2.567 -9.908 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.697 4.199 -9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.193 3.185 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.216 1.660 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.311 2.988 -6.372 1.00 0.00 H new ATOM 383 N ARG A 26 9.975 2.491 -8.247 1.00 0.00 N ATOM 384 CA ARG A 26 8.836 2.675 -7.369 1.00 0.00 C ATOM 385 C ARG A 26 9.346 2.558 -5.942 1.00 0.00 C ATOM 386 O ARG A 26 10.237 1.751 -5.682 1.00 0.00 O ATOM 387 CB ARG A 26 7.802 1.584 -7.671 1.00 0.00 C ATOM 388 CG ARG A 26 6.544 1.711 -6.796 1.00 0.00 C ATOM 389 CD ARG A 26 5.355 0.948 -7.390 1.00 0.00 C ATOM 390 NE ARG A 26 4.798 1.683 -8.534 1.00 0.00 N ATOM 391 CZ ARG A 26 3.993 1.225 -9.494 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.602 -0.047 -9.529 1.00 0.00 N ATOM 393 NH2 ARG A 26 3.595 2.092 -10.412 1.00 0.00 N ATOM 0 H ARG A 26 10.044 1.543 -8.618 1.00 0.00 H new ATOM 0 HA ARG A 26 8.362 3.646 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.517 1.638 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.254 0.605 -7.513 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.757 1.331 -5.797 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.282 2.763 -6.687 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.673 -0.045 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.587 0.809 -6.629 1.00 0.00 H new ATOM 0 HE ARG A 26 5.060 2.666 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.918 -0.698 -8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.986 -0.371 -10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.905 3.063 -10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.979 1.789 -11.166 1.00 0.00 H new ATOM 407 N VAL A 27 8.740 3.292 -5.022 1.00 0.00 N ATOM 408 CA VAL A 27 9.034 3.254 -3.604 1.00 0.00 C ATOM 409 C VAL A 27 7.690 3.274 -2.869 1.00 0.00 C ATOM 410 O VAL A 27 6.743 3.917 -3.332 1.00 0.00 O ATOM 411 CB VAL A 27 10.008 4.407 -3.263 1.00 0.00 C ATOM 412 CG1 VAL A 27 9.560 5.788 -3.762 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.288 4.479 -1.760 1.00 0.00 C ATOM 0 H VAL A 27 8.001 3.956 -5.255 1.00 0.00 H new ATOM 0 HA VAL A 27 9.553 2.351 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 27 10.921 4.158 -3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.301 6.535 -3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.461 5.768 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.599 6.043 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.976 5.300 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.354 4.647 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.734 3.542 -1.428 1.00 0.00 H new ATOM 423 N HIS A 28 7.600 2.541 -1.758 1.00 0.00 N ATOM 424 CA HIS A 28 6.367 2.276 -1.017 1.00 0.00 C ATOM 425 C HIS A 28 6.456 2.934 0.362 1.00 0.00 C ATOM 426 O HIS A 28 7.551 3.009 0.931 1.00 0.00 O ATOM 427 CB HIS A 28 6.187 0.755 -0.869 1.00 0.00 C ATOM 428 CG HIS A 28 6.332 -0.033 -2.154 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.472 -0.030 -3.228 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.339 -0.910 -2.459 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.944 -0.885 -4.148 1.00 0.00 C ATOM 432 NE2 HIS A 28 7.092 -1.446 -3.729 1.00 0.00 N ATOM 0 H HIS A 28 8.416 2.099 -1.334 1.00 0.00 H new ATOM 0 HA HIS A 28 5.511 2.688 -1.552 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.918 0.386 -0.149 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.200 0.560 -0.450 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.182 -1.148 -1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.468 -1.094 -5.094 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.665 -2.123 -4.233 1.00 0.00 H new ATOM 440 N SER A 29 5.330 3.407 0.909 1.00 0.00 N ATOM 441 CA SER A 29 5.291 4.089 2.199 1.00 0.00 C ATOM 442 C SER A 29 5.740 3.164 3.339 1.00 0.00 C ATOM 443 O SER A 29 4.981 2.296 3.778 1.00 0.00 O ATOM 444 CB SER A 29 3.882 4.612 2.503 1.00 0.00 C ATOM 445 OG SER A 29 3.295 5.297 1.418 1.00 0.00 O ATOM 0 H SER A 29 4.417 3.325 0.463 1.00 0.00 H new ATOM 0 HA SER A 29 5.982 4.929 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.244 3.774 2.783 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.928 5.280 3.363 1.00 0.00 H new ATOM 0 HG SER A 29 2.568 5.867 1.746 1.00 0.00 H new ATOM 451 N ALA A 30 6.970 3.349 3.823 1.00 0.00 N ATOM 452 CA ALA A 30 7.487 2.734 5.038 1.00 0.00 C ATOM 453 C ALA A 30 8.606 3.541 5.751 1.00 0.00 C ATOM 454 O ALA A 30 9.302 2.912 6.551 1.00 0.00 O ATOM 455 CB ALA A 30 7.911 1.280 4.746 1.00 0.00 C ATOM 0 H ALA A 30 7.652 3.951 3.362 1.00 0.00 H new ATOM 0 HA ALA A 30 6.669 2.735 5.759 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.297 0.824 5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.049 0.713 4.394 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.687 1.274 3.980 1.00 0.00 H new ATOM 461 N PRO A 31 8.848 4.864 5.541 1.00 0.00 N ATOM 462 CA PRO A 31 9.829 5.608 6.333 1.00 0.00 C ATOM 463 C PRO A 31 9.845 5.273 7.832 1.00 0.00 C ATOM 464 O PRO A 31 8.807 5.279 8.501 1.00 0.00 O ATOM 465 CB PRO A 31 9.548 7.086 6.090 1.00 0.00 C ATOM 466 CG PRO A 31 9.101 7.091 4.634 1.00 0.00 C ATOM 467 CD PRO A 31 8.302 5.788 4.539 1.00 0.00 C ATOM 0 HA PRO A 31 10.828 5.320 6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.774 7.468 6.755 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.435 7.700 6.246 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.490 7.962 4.398 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.948 7.101 3.948 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.244 5.972 4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.382 5.361 3.539 1.00 0.00 H new ATOM 475 N ARG A 32 11.049 4.958 8.320 1.00 0.00 N ATOM 476 CA ARG A 32 11.411 4.419 9.637 1.00 0.00 C ATOM 477 C ARG A 32 10.341 3.503 10.251 1.00 0.00 C ATOM 478 O ARG A 32 10.103 3.552 11.460 1.00 0.00 O ATOM 479 CB ARG A 32 11.878 5.559 10.564 1.00 0.00 C ATOM 480 CG ARG A 32 13.028 6.430 10.007 1.00 0.00 C ATOM 481 CD ARG A 32 14.302 5.663 9.607 1.00 0.00 C ATOM 482 NE ARG A 32 14.906 4.946 10.744 1.00 0.00 N ATOM 483 CZ ARG A 32 15.974 4.139 10.684 1.00 0.00 C ATOM 484 NH1 ARG A 32 16.623 3.934 9.539 1.00 0.00 N ATOM 485 NH2 ARG A 32 16.393 3.529 11.789 1.00 0.00 N ATOM 0 H ARG A 32 11.880 5.087 7.743 1.00 0.00 H new ATOM 0 HA ARG A 32 12.256 3.745 9.500 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.026 6.204 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.197 5.127 11.513 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.661 6.972 9.135 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.293 7.175 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.061 4.950 8.818 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.029 6.362 9.194 1.00 0.00 H new ATOM 0 HE ARG A 32 14.472 5.076 11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.309 4.395 8.685 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.434 3.316 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.902 3.678 12.671 1.00 0.00 H new ATOM 0 HH22 ARG A 32 17.205 2.913 11.755 1.00 0.00 H new ATOM 499 N SER A 33 9.711 2.660 9.427 1.00 0.00 N ATOM 500 CA SER A 33 8.690 1.694 9.824 1.00 0.00 C ATOM 501 C SER A 33 7.532 2.334 10.617 1.00 0.00 C ATOM 502 O SER A 33 6.940 1.684 11.483 1.00 0.00 O ATOM 503 CB SER A 33 9.359 0.514 10.552 1.00 0.00 C ATOM 504 OG SER A 33 10.474 0.021 9.818 1.00 0.00 O ATOM 0 H SER A 33 9.908 2.633 8.427 1.00 0.00 H new ATOM 0 HA SER A 33 8.209 1.305 8.926 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.684 0.832 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.633 -0.286 10.696 1.00 0.00 H new ATOM 0 HG SER A 33 10.881 -0.727 10.304 1.00 0.00 H new ATOM 510 N GLY A 34 7.203 3.601 10.334 1.00 0.00 N ATOM 511 CA GLY A 34 6.185 4.367 11.053 1.00 0.00 C ATOM 512 C GLY A 34 5.301 5.196 10.121 1.00 0.00 C ATOM 513 O GLY A 34 4.648 6.135 10.579 1.00 0.00 O ATOM 0 H GLY A 34 7.648 4.130 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.560 3.683 11.627 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.673 5.029 11.768 1.00 0.00 H new ATOM 517 N ALA A 35 5.291 4.881 8.819 1.00 0.00 N ATOM 518 CA ALA A 35 4.463 5.571 7.835 1.00 0.00 C ATOM 519 C ALA A 35 2.965 5.392 8.160 1.00 0.00 C ATOM 520 O ALA A 35 2.576 4.331 8.657 1.00 0.00 O ATOM 521 CB ALA A 35 4.782 5.031 6.437 1.00 0.00 C ATOM 0 H ALA A 35 5.862 4.135 8.422 1.00 0.00 H new ATOM 0 HA ALA A 35 4.684 6.638 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.165 5.544 5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.835 5.202 6.212 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.573 3.962 6.404 1.00 0.00 H new ATOM 527 N PRO A 36 2.107 6.383 7.850 1.00 0.00 N ATOM 528 CA PRO A 36 0.680 6.337 8.166 1.00 0.00 C ATOM 529 C PRO A 36 -0.144 5.476 7.194 1.00 0.00 C ATOM 530 O PRO A 36 -1.333 5.257 7.439 1.00 0.00 O ATOM 531 CB PRO A 36 0.228 7.802 8.118 1.00 0.00 C ATOM 532 CG PRO A 36 1.136 8.410 7.050 1.00 0.00 C ATOM 533 CD PRO A 36 2.458 7.680 7.283 1.00 0.00 C ATOM 0 HA PRO A 36 0.520 5.866 9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.825 7.890 7.850 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.354 8.295 9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.750 8.240 6.045 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.241 9.488 7.173 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.008 7.562 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.099 8.242 7.962 1.00 0.00 H new ATOM 541 N ALA A 37 0.447 5.020 6.083 1.00 0.00 N ATOM 542 CA ALA A 37 -0.243 4.374 4.971 1.00 0.00 C ATOM 543 C ALA A 37 0.721 3.426 4.244 1.00 0.00 C ATOM 544 O ALA A 37 1.855 3.238 4.689 1.00 0.00 O ATOM 545 CB ALA A 37 -0.766 5.474 4.033 1.00 0.00 C ATOM 0 H ALA A 37 1.453 5.095 5.933 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.083 3.777 5.326 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.287 5.017 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.454 6.120 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.072 6.066 3.663 1.00 0.00 H new ATOM 551 N ALA A 38 0.276 2.859 3.117 1.00 0.00 N ATOM 552 CA ALA A 38 1.046 1.994 2.224 1.00 0.00 C ATOM 553 C ALA A 38 0.768 2.411 0.777 1.00 0.00 C ATOM 554 O ALA A 38 0.332 1.608 -0.052 1.00 0.00 O ATOM 555 CB ALA A 38 0.745 0.516 2.503 1.00 0.00 C ATOM 0 H ALA A 38 -0.679 3.000 2.789 1.00 0.00 H new ATOM 0 HA ALA A 38 2.115 2.112 2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.329 -0.108 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.008 0.279 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.317 0.325 2.347 1.00 0.00 H new ATOM 561 N GLU A 39 0.949 3.704 0.503 1.00 0.00 N ATOM 562 CA GLU A 39 0.887 4.251 -0.843 1.00 0.00 C ATOM 563 C GLU A 39 2.205 3.938 -1.573 1.00 0.00 C ATOM 564 O GLU A 39 3.077 3.232 -1.052 1.00 0.00 O ATOM 565 CB GLU A 39 0.605 5.766 -0.782 1.00 0.00 C ATOM 566 CG GLU A 39 -0.704 6.134 -0.063 1.00 0.00 C ATOM 567 CD GLU A 39 -1.943 5.476 -0.697 1.00 0.00 C ATOM 568 OE1 GLU A 39 -2.291 5.807 -1.854 1.00 0.00 O ATOM 569 OE2 GLU A 39 -2.602 4.640 -0.038 1.00 0.00 O ATOM 0 H GLU A 39 1.144 4.403 1.220 1.00 0.00 H new ATOM 0 HA GLU A 39 0.071 3.792 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.435 6.259 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.572 6.159 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.635 5.834 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.827 7.217 -0.076 1.00 0.00 H new ATOM 576 N SER A 40 2.365 4.428 -2.804 1.00 0.00 N ATOM 577 CA SER A 40 3.612 4.331 -3.556 1.00 0.00 C ATOM 578 C SER A 40 3.732 5.500 -4.537 1.00 0.00 C ATOM 579 O SER A 40 2.731 6.126 -4.899 1.00 0.00 O ATOM 580 CB SER A 40 3.691 2.997 -4.309 1.00 0.00 C ATOM 581 OG SER A 40 3.406 1.907 -3.449 1.00 0.00 O ATOM 0 H SER A 40 1.621 4.909 -3.310 1.00 0.00 H new ATOM 0 HA SER A 40 4.441 4.376 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.985 3.003 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.686 2.876 -4.737 1.00 0.00 H new ATOM 0 HG SER A 40 4.203 1.343 -3.360 1.00 0.00 H new ATOM 587 N LYS A 41 4.962 5.782 -4.967 1.00 0.00 N ATOM 588 CA LYS A 41 5.312 6.776 -5.987 1.00 0.00 C ATOM 589 C LYS A 41 6.583 6.317 -6.684 1.00 0.00 C ATOM 590 O LYS A 41 7.253 5.409 -6.195 1.00 0.00 O ATOM 591 CB LYS A 41 5.415 8.205 -5.399 1.00 0.00 C ATOM 592 CG LYS A 41 6.388 8.439 -4.224 1.00 0.00 C ATOM 593 CD LYS A 41 7.877 8.701 -4.516 1.00 0.00 C ATOM 594 CE LYS A 41 8.237 10.167 -4.815 1.00 0.00 C ATOM 595 NZ LYS A 41 7.774 10.613 -6.148 1.00 0.00 N ATOM 0 H LYS A 41 5.782 5.301 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 41 4.515 6.844 -6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.700 8.878 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.419 8.504 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.013 9.288 -3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.331 7.566 -3.573 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.463 8.367 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.177 8.089 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.797 10.807 -4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.318 10.291 -4.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.288 11.474 -6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.953 9.864 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.755 10.816 -6.112 1.00 0.00 H new ATOM 609 N GLU A 42 6.930 6.934 -7.809 1.00 0.00 N ATOM 610 CA GLU A 42 8.138 6.609 -8.558 1.00 0.00 C ATOM 611 C GLU A 42 9.141 7.745 -8.389 1.00 0.00 C ATOM 612 O GLU A 42 8.743 8.880 -8.110 1.00 0.00 O ATOM 613 CB GLU A 42 7.829 6.417 -10.052 1.00 0.00 C ATOM 614 CG GLU A 42 6.966 5.194 -10.384 1.00 0.00 C ATOM 615 CD GLU A 42 5.491 5.308 -9.959 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.846 6.351 -10.206 1.00 0.00 O ATOM 617 OE2 GLU A 42 4.959 4.313 -9.417 1.00 0.00 O ATOM 0 H GLU A 42 6.376 7.680 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 42 8.549 5.676 -8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.324 7.310 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.771 6.336 -10.595 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.007 5.020 -11.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.401 4.319 -9.902 1.00 0.00 H new ATOM 624 N ILE A 43 10.425 7.454 -8.592 1.00 0.00 N ATOM 625 CA ILE A 43 11.515 8.419 -8.599 1.00 0.00 C ATOM 626 C ILE A 43 12.459 8.080 -9.755 1.00 0.00 C ATOM 627 O ILE A 43 12.531 6.925 -10.191 1.00 0.00 O ATOM 628 CB ILE A 43 12.255 8.442 -7.238 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.840 7.068 -6.839 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.325 8.981 -6.140 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.761 7.105 -5.612 1.00 0.00 C ATOM 0 H ILE A 43 10.743 6.500 -8.763 1.00 0.00 H new ATOM 0 HA ILE A 43 11.116 9.423 -8.747 1.00 0.00 H new ATOM 0 HB ILE A 43 13.108 9.111 -7.352 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.018 6.380 -6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.397 6.664 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.855 8.993 -5.188 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.012 9.994 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.448 8.339 -6.059 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.127 6.100 -5.402 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.606 7.765 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.205 7.476 -4.751 1.00 0.00 H new ATOM 643 N VAL A 44 13.191 9.086 -10.232 1.00 0.00 N ATOM 644 CA VAL A 44 14.053 8.991 -11.408 1.00 0.00 C ATOM 645 C VAL A 44 15.478 9.284 -10.942 1.00 0.00 C ATOM 646 O VAL A 44 15.717 10.351 -10.364 1.00 0.00 O ATOM 647 CB VAL A 44 13.580 10.013 -12.468 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.362 9.885 -13.781 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.084 9.898 -12.798 1.00 0.00 C ATOM 0 H VAL A 44 13.201 10.011 -9.801 1.00 0.00 H new ATOM 0 HA VAL A 44 14.013 8.002 -11.865 1.00 0.00 H new ATOM 0 HB VAL A 44 13.767 10.985 -12.011 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.996 10.622 -14.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.421 10.058 -13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.225 8.884 -14.190 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.818 10.643 -13.548 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.873 8.902 -13.186 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.498 10.068 -11.895 1.00 0.00 H new ATOM 659 N ARG A 45 16.418 8.364 -11.187 1.00 0.00 N ATOM 660 CA ARG A 45 17.840 8.528 -10.864 1.00 0.00 C ATOM 661 C ARG A 45 18.659 8.041 -12.052 1.00 0.00 C ATOM 662 O ARG A 45 18.239 7.110 -12.740 1.00 0.00 O ATOM 663 CB ARG A 45 18.231 7.712 -9.611 1.00 0.00 C ATOM 664 CG ARG A 45 17.583 8.157 -8.290 1.00 0.00 C ATOM 665 CD ARG A 45 17.939 9.583 -7.854 1.00 0.00 C ATOM 666 NE ARG A 45 16.727 10.405 -7.790 1.00 0.00 N ATOM 667 CZ ARG A 45 15.947 10.610 -6.727 1.00 0.00 C ATOM 668 NH1 ARG A 45 16.343 10.277 -5.502 1.00 0.00 N ATOM 669 NH2 ARG A 45 14.745 11.133 -6.913 1.00 0.00 N ATOM 0 H ARG A 45 16.207 7.467 -11.624 1.00 0.00 H new ATOM 0 HA ARG A 45 18.035 9.580 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 45 17.972 6.668 -9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.314 7.757 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.500 8.081 -8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.882 7.465 -7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.427 9.563 -6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.648 10.020 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 45 16.449 10.872 -8.653 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.261 9.855 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.729 10.443 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.432 11.370 -7.854 1.00 0.00 H new ATOM 0 HH22 ARG A 45 14.132 11.298 -6.115 1.00 0.00 H new ATOM 683 N GLY A 46 19.835 8.622 -12.276 1.00 0.00 N ATOM 684 CA GLY A 46 20.753 8.180 -13.313 1.00 0.00 C ATOM 685 C GLY A 46 21.984 9.058 -13.345 1.00 0.00 C ATOM 686 O GLY A 46 21.869 10.284 -13.268 1.00 0.00 O ATOM 0 H GLY A 46 20.177 9.418 -11.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.043 7.145 -13.132 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.255 8.207 -14.282 1.00 0.00 H new ATOM 690 N TYR A 47 23.153 8.428 -13.458 1.00 0.00 N ATOM 691 CA TYR A 47 24.441 9.099 -13.339 1.00 0.00 C ATOM 692 C TYR A 47 25.478 8.306 -14.126 1.00 0.00 C ATOM 693 O TYR A 47 25.337 7.092 -14.283 1.00 0.00 O ATOM 694 CB TYR A 47 24.881 9.153 -11.867 1.00 0.00 C ATOM 695 CG TYR A 47 23.827 9.592 -10.866 1.00 0.00 C ATOM 696 CD1 TYR A 47 22.999 8.622 -10.269 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.684 10.948 -10.518 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.065 8.994 -9.289 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.742 11.330 -9.544 1.00 0.00 C ATOM 700 CZ TYR A 47 21.941 10.350 -8.912 1.00 0.00 C ATOM 701 OH TYR A 47 21.077 10.685 -7.919 1.00 0.00 O ATOM 0 H TYR A 47 23.230 7.427 -13.637 1.00 0.00 H new ATOM 0 HA TYR A 47 24.352 10.114 -13.725 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.235 8.163 -11.579 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.731 9.831 -11.789 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.083 7.587 -10.566 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.297 11.696 -10.998 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.442 8.244 -8.824 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.631 12.371 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 47 21.123 11.651 -7.758 1.00 0.00 H new ATOM 711 N LYS A 48 26.553 8.967 -14.568 1.00 0.00 N ATOM 712 CA LYS A 48 27.625 8.312 -15.321 1.00 0.00 C ATOM 713 C LYS A 48 28.282 7.191 -14.510 1.00 0.00 C ATOM 714 O LYS A 48 28.671 6.180 -15.094 1.00 0.00 O ATOM 715 CB LYS A 48 28.640 9.373 -15.784 1.00 0.00 C ATOM 716 CG LYS A 48 29.655 8.815 -16.796 1.00 0.00 C ATOM 717 CD LYS A 48 30.582 9.922 -17.316 1.00 0.00 C ATOM 718 CE LYS A 48 31.584 9.339 -18.323 1.00 0.00 C ATOM 719 NZ LYS A 48 32.513 10.368 -18.851 1.00 0.00 N ATOM 0 H LYS A 48 26.703 9.964 -14.415 1.00 0.00 H new ATOM 0 HA LYS A 48 27.202 7.832 -16.203 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.106 10.210 -16.234 1.00 0.00 H new ATOM 0 HB3 LYS A 48 29.173 9.764 -14.917 1.00 0.00 H new ATOM 0 HG2 LYS A 48 30.248 8.031 -16.326 1.00 0.00 H new ATOM 0 HG3 LYS A 48 29.126 8.357 -17.632 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.993 10.708 -17.790 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.116 10.381 -16.484 1.00 0.00 H new ATOM 0 HE2 LYS A 48 32.158 8.546 -17.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 31.041 8.884 -19.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 33.170 9.928 -19.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 31.969 11.113 -19.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 33.052 10.785 -18.065 1.00 0.00 H new ATOM 733 N TRP A 49 28.392 7.340 -13.182 1.00 0.00 N ATOM 734 CA TRP A 49 29.013 6.321 -12.340 1.00 0.00 C ATOM 735 C TRP A 49 28.228 5.002 -12.343 1.00 0.00 C ATOM 736 O TRP A 49 28.845 3.945 -12.196 1.00 0.00 O ATOM 737 CB TRP A 49 29.282 6.848 -10.919 1.00 0.00 C ATOM 738 CG TRP A 49 28.180 7.550 -10.172 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.147 8.877 -9.908 1.00 0.00 C ATOM 740 CD2 TRP A 49 26.993 6.999 -9.513 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.044 9.181 -9.136 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.293 8.060 -8.860 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.434 5.710 -9.391 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.102 7.851 -8.145 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.207 5.501 -8.734 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.531 6.568 -8.120 1.00 0.00 C ATOM 0 H TRP A 49 28.057 8.158 -12.673 1.00 0.00 H new ATOM 0 HA TRP A 49 29.984 6.091 -12.779 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.602 6.002 -10.311 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.126 7.535 -10.979 1.00 0.00 H new ATOM 0 HD1 TRP A 49 28.878 9.594 -10.252 1.00 0.00 H new ATOM 0 HE1 TRP A 49 26.814 10.120 -8.810 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.959 4.865 -9.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.630 8.668 -7.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.781 4.509 -8.702 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.581 6.404 -7.633 1.00 0.00 H new ATOM 757 N ALA A 50 26.904 5.026 -12.546 1.00 0.00 N ATOM 758 CA ALA A 50 26.119 3.814 -12.712 1.00 0.00 C ATOM 759 C ALA A 50 26.218 3.359 -14.166 1.00 0.00 C ATOM 760 O ALA A 50 25.307 3.561 -14.970 1.00 0.00 O ATOM 761 CB ALA A 50 24.676 4.007 -12.258 1.00 0.00 C ATOM 0 H ALA A 50 26.357 5.886 -12.598 1.00 0.00 H new ATOM 0 HA ALA A 50 26.523 3.030 -12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.123 3.078 -12.398 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.660 4.283 -11.204 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.212 4.798 -12.847 1.00 0.00 H new ATOM 767 N GLU A 51 27.346 2.737 -14.509 1.00 0.00 N ATOM 768 CA GLU A 51 27.554 2.138 -15.824 1.00 0.00 C ATOM 769 C GLU A 51 26.584 0.971 -16.091 1.00 0.00 C ATOM 770 O GLU A 51 26.505 0.493 -17.223 1.00 0.00 O ATOM 771 CB GLU A 51 29.013 1.664 -15.958 1.00 0.00 C ATOM 772 CG GLU A 51 30.013 2.812 -16.168 1.00 0.00 C ATOM 773 CD GLU A 51 29.958 3.464 -17.568 1.00 0.00 C ATOM 774 OE1 GLU A 51 29.007 3.217 -18.348 1.00 0.00 O ATOM 775 OE2 GLU A 51 30.894 4.223 -17.908 1.00 0.00 O ATOM 0 H GLU A 51 28.142 2.635 -13.880 1.00 0.00 H new ATOM 0 HA GLU A 51 27.349 2.903 -16.572 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.291 1.110 -15.061 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.086 0.971 -16.796 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.828 3.580 -15.416 1.00 0.00 H new ATOM 0 HG3 GLU A 51 31.021 2.434 -15.997 1.00 0.00 H new ATOM 782 N TYR A 52 25.834 0.513 -15.086 1.00 0.00 N ATOM 783 CA TYR A 52 24.794 -0.494 -15.208 1.00 0.00 C ATOM 784 C TYR A 52 23.636 -0.068 -14.308 1.00 0.00 C ATOM 785 O TYR A 52 23.849 0.425 -13.199 1.00 0.00 O ATOM 786 CB TYR A 52 25.311 -1.905 -14.872 1.00 0.00 C ATOM 787 CG TYR A 52 26.411 -1.993 -13.828 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.732 -1.692 -14.201 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.126 -2.386 -12.508 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.771 -1.766 -13.257 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.159 -2.472 -11.557 1.00 0.00 C ATOM 792 CZ TYR A 52 28.489 -2.158 -11.928 1.00 0.00 C ATOM 793 OH TYR A 52 29.503 -2.230 -11.019 1.00 0.00 O ATOM 0 H TYR A 52 25.944 0.851 -14.130 1.00 0.00 H new ATOM 0 HA TYR A 52 24.454 -0.559 -16.242 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.468 -2.505 -14.530 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.676 -2.363 -15.792 1.00 0.00 H new ATOM 0 HD1 TYR A 52 27.950 -1.402 -15.218 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.111 -2.622 -12.224 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.783 -1.524 -13.546 1.00 0.00 H new ATOM 0 HE2 TYR A 52 26.938 -2.777 -10.545 1.00 0.00 H new ATOM 0 HH TYR A 52 29.145 -2.513 -10.152 1.00 0.00 H new ATOM 803 N HIS A 53 22.406 -0.268 -14.783 1.00 0.00 N ATOM 804 CA HIS A 53 21.178 0.187 -14.123 1.00 0.00 C ATOM 805 C HIS A 53 20.997 -0.481 -12.754 1.00 0.00 C ATOM 806 O HIS A 53 20.433 0.115 -11.838 1.00 0.00 O ATOM 807 CB HIS A 53 19.955 -0.092 -15.018 1.00 0.00 C ATOM 808 CG HIS A 53 20.177 0.225 -16.478 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.823 1.377 -17.146 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.791 -0.598 -17.387 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.244 1.254 -18.418 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.835 0.061 -18.617 1.00 0.00 N ATOM 0 H HIS A 53 22.230 -0.762 -15.658 1.00 0.00 H new ATOM 0 HA HIS A 53 21.264 1.262 -13.962 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.680 -1.142 -14.923 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.110 0.493 -14.654 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.331 2.177 -16.749 1.00 0.00 H new ATOM 0 HD2 HIS A 53 21.175 -1.587 -17.186 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.124 2.012 -19.178 1.00 0.00 H new ATOM 820 N ALA A 54 21.503 -1.709 -12.598 1.00 0.00 N ATOM 821 CA ALA A 54 21.501 -2.401 -11.316 1.00 0.00 C ATOM 822 C ALA A 54 22.272 -1.622 -10.243 1.00 0.00 C ATOM 823 O ALA A 54 21.931 -1.732 -9.067 1.00 0.00 O ATOM 824 CB ALA A 54 22.070 -3.813 -11.485 1.00 0.00 C ATOM 0 H ALA A 54 21.923 -2.245 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 54 20.469 -2.473 -10.973 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.066 -4.325 -10.523 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.458 -4.369 -12.195 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.092 -3.751 -11.858 1.00 0.00 H new ATOM 830 N ASP A 55 23.282 -0.826 -10.624 1.00 0.00 N ATOM 831 CA ASP A 55 24.075 -0.065 -9.661 1.00 0.00 C ATOM 832 C ASP A 55 23.219 1.003 -8.990 1.00 0.00 C ATOM 833 O ASP A 55 23.195 1.094 -7.763 1.00 0.00 O ATOM 834 CB ASP A 55 25.279 0.615 -10.324 1.00 0.00 C ATOM 835 CG ASP A 55 26.278 1.077 -9.255 1.00 0.00 C ATOM 836 OD1 ASP A 55 26.926 0.216 -8.618 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.438 2.300 -9.065 1.00 0.00 O ATOM 0 H ASP A 55 23.565 -0.696 -11.595 1.00 0.00 H new ATOM 0 HA ASP A 55 24.439 -0.776 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.765 -0.077 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 55 24.945 1.469 -10.914 1.00 0.00 H new ATOM 842 N ILE A 56 22.467 1.775 -9.788 1.00 0.00 N ATOM 843 CA ILE A 56 21.540 2.771 -9.265 1.00 0.00 C ATOM 844 C ILE A 56 20.383 2.083 -8.555 1.00 0.00 C ATOM 845 O ILE A 56 20.009 2.562 -7.492 1.00 0.00 O ATOM 846 CB ILE A 56 21.021 3.795 -10.313 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.027 3.302 -11.783 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.729 5.140 -10.086 1.00 0.00 C ATOM 849 CD1 ILE A 56 20.863 4.387 -12.844 1.00 0.00 C ATOM 0 H ILE A 56 22.489 1.722 -10.806 1.00 0.00 H new ATOM 0 HA ILE A 56 22.114 3.368 -8.556 1.00 0.00 H new ATOM 0 HB ILE A 56 19.953 3.931 -10.144 1.00 0.00 H new ATOM 0 HG12 ILE A 56 21.965 2.778 -11.967 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.225 2.574 -11.906 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.373 5.867 -10.816 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.512 5.500 -9.080 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.805 5.009 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 56 20.881 3.933 -13.835 1.00 0.00 H new ATOM 0 HD12 ILE A 56 19.912 4.899 -12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.678 5.105 -12.759 1.00 0.00 H new ATOM 861 N TYR A 57 19.829 0.977 -9.068 1.00 0.00 N ATOM 862 CA TYR A 57 18.733 0.323 -8.359 1.00 0.00 C ATOM 863 C TYR A 57 19.178 -0.077 -6.947 1.00 0.00 C ATOM 864 O TYR A 57 18.475 0.227 -5.984 1.00 0.00 O ATOM 865 CB TYR A 57 18.186 -0.885 -9.130 1.00 0.00 C ATOM 866 CG TYR A 57 17.132 -1.639 -8.333 1.00 0.00 C ATOM 867 CD1 TYR A 57 15.989 -0.964 -7.857 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.341 -2.985 -7.976 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.077 -1.618 -7.012 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.423 -3.652 -7.147 1.00 0.00 C ATOM 871 CZ TYR A 57 15.292 -2.967 -6.644 1.00 0.00 C ATOM 872 OH TYR A 57 14.442 -3.619 -5.800 1.00 0.00 O ATOM 0 H TYR A 57 20.112 0.532 -9.941 1.00 0.00 H new ATOM 0 HA TYR A 57 17.916 1.040 -8.278 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.756 -0.549 -10.073 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.006 -1.560 -9.376 1.00 0.00 H new ATOM 0 HD1 TYR A 57 15.814 0.062 -8.144 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.212 -3.508 -8.342 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.210 -1.090 -6.643 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.581 -4.690 -6.893 1.00 0.00 H new ATOM 0 HH TYR A 57 13.758 -2.995 -5.478 1.00 0.00 H new ATOM 882 N ASP A 58 20.355 -0.694 -6.806 1.00 0.00 N ATOM 883 CA ASP A 58 20.872 -1.109 -5.507 1.00 0.00 C ATOM 884 C ASP A 58 21.180 0.094 -4.614 1.00 0.00 C ATOM 885 O ASP A 58 20.730 0.139 -3.469 1.00 0.00 O ATOM 886 CB ASP A 58 22.130 -1.966 -5.676 1.00 0.00 C ATOM 887 CG ASP A 58 22.705 -2.353 -4.304 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.134 -3.243 -3.635 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.745 -1.789 -3.897 1.00 0.00 O ATOM 0 H ASP A 58 20.971 -0.917 -7.588 1.00 0.00 H new ATOM 0 HA ASP A 58 20.097 -1.703 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 58 21.891 -2.865 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.877 -1.417 -6.249 1.00 0.00 H new ATOM 894 N LYS A 59 21.907 1.091 -5.133 1.00 0.00 N ATOM 895 CA LYS A 59 22.299 2.280 -4.375 1.00 0.00 C ATOM 896 C LYS A 59 21.070 3.043 -3.888 1.00 0.00 C ATOM 897 O LYS A 59 20.979 3.382 -2.707 1.00 0.00 O ATOM 898 CB LYS A 59 23.211 3.146 -5.255 1.00 0.00 C ATOM 899 CG LYS A 59 23.561 4.510 -4.633 1.00 0.00 C ATOM 900 CD LYS A 59 24.987 4.910 -5.024 1.00 0.00 C ATOM 901 CE LYS A 59 25.280 6.366 -4.640 1.00 0.00 C ATOM 902 NZ LYS A 59 26.610 6.811 -5.125 1.00 0.00 N ATOM 0 H LYS A 59 22.241 1.093 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 59 22.853 1.989 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.133 2.600 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.724 3.310 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.855 5.267 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.473 4.458 -3.548 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.701 4.250 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.122 4.780 -6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.507 7.013 -5.055 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.235 6.471 -3.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.985 7.542 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.261 6.001 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.517 7.203 -6.084 1.00 0.00 H new ATOM 916 N VAL A 60 20.125 3.304 -4.784 1.00 0.00 N ATOM 917 CA VAL A 60 18.951 4.097 -4.479 1.00 0.00 C ATOM 918 C VAL A 60 18.053 3.312 -3.530 1.00 0.00 C ATOM 919 O VAL A 60 17.624 3.882 -2.531 1.00 0.00 O ATOM 920 CB VAL A 60 18.252 4.553 -5.767 1.00 0.00 C ATOM 921 CG1 VAL A 60 17.012 5.395 -5.420 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.213 5.403 -6.621 1.00 0.00 C ATOM 0 H VAL A 60 20.157 2.967 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 60 19.233 5.016 -3.966 1.00 0.00 H new ATOM 0 HB VAL A 60 17.951 3.669 -6.330 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.521 5.715 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.320 4.796 -4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.316 6.271 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.706 5.721 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.524 6.280 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.090 4.810 -6.882 1.00 0.00 H new ATOM 932 N SER A 61 17.819 2.017 -3.760 1.00 0.00 N ATOM 933 CA SER A 61 17.039 1.222 -2.819 1.00 0.00 C ATOM 934 C SER A 61 17.731 1.145 -1.458 1.00 0.00 C ATOM 935 O SER A 61 17.042 1.029 -0.449 1.00 0.00 O ATOM 936 CB SER A 61 16.768 -0.178 -3.369 1.00 0.00 C ATOM 937 OG SER A 61 16.153 -0.076 -4.634 1.00 0.00 O ATOM 0 H SER A 61 18.154 1.507 -4.577 1.00 0.00 H new ATOM 0 HA SER A 61 16.079 1.721 -2.683 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.701 -0.735 -3.451 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.125 -0.731 -2.684 1.00 0.00 H new ATOM 0 HG SER A 61 16.840 0.032 -5.324 1.00 0.00 H new ATOM 943 N GLY A 62 19.063 1.224 -1.395 1.00 0.00 N ATOM 944 CA GLY A 62 19.800 1.323 -0.146 1.00 0.00 C ATOM 945 C GLY A 62 19.448 2.615 0.588 1.00 0.00 C ATOM 946 O GLY A 62 19.094 2.566 1.766 1.00 0.00 O ATOM 0 H GLY A 62 19.660 1.220 -2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.570 0.466 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.871 1.293 -0.347 1.00 0.00 H new ATOM 950 N ASP A 63 19.482 3.761 -0.101 1.00 0.00 N ATOM 951 CA ASP A 63 19.122 5.044 0.503 1.00 0.00 C ATOM 952 C ASP A 63 17.658 5.043 0.935 1.00 0.00 C ATOM 953 O ASP A 63 17.358 5.381 2.078 1.00 0.00 O ATOM 954 CB ASP A 63 19.390 6.223 -0.436 1.00 0.00 C ATOM 955 CG ASP A 63 19.153 7.552 0.302 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.002 8.042 0.340 1.00 0.00 O ATOM 957 OD2 ASP A 63 20.134 8.104 0.850 1.00 0.00 O ATOM 0 H ASP A 63 19.757 3.824 -1.081 1.00 0.00 H new ATOM 0 HA ASP A 63 19.757 5.171 1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.415 6.180 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.737 6.160 -1.307 1.00 0.00 H new ATOM 962 N MET A 64 16.745 4.588 0.072 1.00 0.00 N ATOM 963 CA MET A 64 15.334 4.477 0.424 1.00 0.00 C ATOM 964 C MET A 64 15.137 3.573 1.648 1.00 0.00 C ATOM 965 O MET A 64 14.389 3.935 2.552 1.00 0.00 O ATOM 966 CB MET A 64 14.531 3.957 -0.774 1.00 0.00 C ATOM 967 CG MET A 64 14.540 4.861 -2.015 1.00 0.00 C ATOM 968 SD MET A 64 13.726 6.463 -1.802 1.00 0.00 S ATOM 969 CE MET A 64 15.175 7.499 -1.494 1.00 0.00 C ATOM 0 H MET A 64 16.963 4.290 -0.879 1.00 0.00 H new ATOM 0 HA MET A 64 14.967 5.469 0.686 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.922 2.979 -1.055 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.498 3.809 -0.461 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.574 5.033 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 64 14.056 4.331 -2.835 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.852 8.492 -1.182 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.782 7.051 -0.707 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.766 7.579 -2.407 1.00 0.00 H new ATOM 979 N GLN A 65 15.815 2.427 1.738 1.00 0.00 N ATOM 980 CA GLN A 65 15.705 1.531 2.885 1.00 0.00 C ATOM 981 C GLN A 65 16.318 2.134 4.153 1.00 0.00 C ATOM 982 O GLN A 65 15.812 1.870 5.242 1.00 0.00 O ATOM 983 CB GLN A 65 16.377 0.191 2.559 1.00 0.00 C ATOM 984 CG GLN A 65 15.469 -0.741 1.742 1.00 0.00 C ATOM 985 CD GLN A 65 16.232 -1.964 1.237 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.062 -3.079 1.723 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.100 -1.774 0.257 1.00 0.00 N ATOM 0 H GLN A 65 16.455 2.096 1.016 1.00 0.00 H new ATOM 0 HA GLN A 65 14.645 1.375 3.083 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.296 0.375 2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.660 -0.305 3.487 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.629 -1.063 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.053 -0.195 0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.230 -0.842 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.640 -2.560 -0.106 1.00 0.00 H new ATOM 996 N LYS A 66 17.359 2.967 4.049 1.00 0.00 N ATOM 997 CA LYS A 66 17.867 3.750 5.174 1.00 0.00 C ATOM 998 C LYS A 66 16.792 4.732 5.645 1.00 0.00 C ATOM 999 O LYS A 66 16.573 4.847 6.853 1.00 0.00 O ATOM 1000 CB LYS A 66 19.168 4.433 4.728 1.00 0.00 C ATOM 1001 CG LYS A 66 19.749 5.467 5.706 1.00 0.00 C ATOM 1002 CD LYS A 66 20.921 6.220 5.056 1.00 0.00 C ATOM 1003 CE LYS A 66 20.433 7.155 3.935 1.00 0.00 C ATOM 1004 NZ LYS A 66 21.539 7.832 3.221 1.00 0.00 N ATOM 0 H LYS A 66 17.872 3.115 3.180 1.00 0.00 H new ATOM 0 HA LYS A 66 18.099 3.121 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.919 3.663 4.554 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.989 4.925 3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.973 6.174 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.088 4.968 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 66 21.447 6.801 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.635 5.504 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.845 6.579 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.769 7.907 4.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 21.238 8.060 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 21.790 8.709 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 22.367 7.203 3.188 1.00 0.00 H new ATOM 1018 N GLN A 67 16.079 5.397 4.724 1.00 0.00 N ATOM 1019 CA GLN A 67 14.912 6.203 5.089 1.00 0.00 C ATOM 1020 C GLN A 67 13.818 5.319 5.707 1.00 0.00 C ATOM 1021 O GLN A 67 13.099 5.778 6.590 1.00 0.00 O ATOM 1022 CB GLN A 67 14.391 7.030 3.896 1.00 0.00 C ATOM 1023 CG GLN A 67 15.461 7.994 3.349 1.00 0.00 C ATOM 1024 CD GLN A 67 14.917 9.013 2.344 1.00 0.00 C ATOM 1025 OE1 GLN A 67 13.861 9.611 2.538 1.00 0.00 O ATOM 1026 NE2 GLN A 67 15.632 9.269 1.259 1.00 0.00 N ATOM 0 H GLN A 67 16.291 5.391 3.726 1.00 0.00 H new ATOM 0 HA GLN A 67 15.221 6.923 5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.070 6.357 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.514 7.599 4.205 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.917 8.528 4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.251 7.413 2.872 1.00 0.00 H new ATOM 0 HE21 GLN A 67 16.509 8.773 1.097 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.306 9.962 0.585 1.00 0.00 H new ATOM 1035 N GLY A 68 13.722 4.049 5.304 1.00 0.00 N ATOM 1036 CA GLY A 68 12.900 2.992 5.902 1.00 0.00 C ATOM 1037 C GLY A 68 12.052 2.238 4.871 1.00 0.00 C ATOM 1038 O GLY A 68 11.412 1.240 5.203 1.00 0.00 O ATOM 0 H GLY A 68 14.250 3.709 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.548 2.284 6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.244 3.431 6.653 1.00 0.00 H new ATOM 1042 N CYS A 69 12.028 2.733 3.635 1.00 0.00 N ATOM 1043 CA CYS A 69 11.146 2.324 2.557 1.00 0.00 C ATOM 1044 C CYS A 69 11.481 0.934 1.996 1.00 0.00 C ATOM 1045 O CYS A 69 12.454 0.295 2.395 1.00 0.00 O ATOM 1046 CB CYS A 69 11.283 3.372 1.453 1.00 0.00 C ATOM 1047 SG CYS A 69 10.893 5.036 2.066 1.00 0.00 S ATOM 0 H CYS A 69 12.665 3.476 3.348 1.00 0.00 H new ATOM 0 HA CYS A 69 10.128 2.255 2.941 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.299 3.357 1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.617 3.122 0.627 1.00 0.00 H new ATOM 0 HG CYS A 69 11.412 5.924 1.271 1.00 0.00 H new ATOM 1053 N ASP A 70 10.701 0.507 1.003 1.00 0.00 N ATOM 1054 CA ASP A 70 10.941 -0.666 0.160 1.00 0.00 C ATOM 1055 C ASP A 70 10.709 -0.204 -1.280 1.00 0.00 C ATOM 1056 O ASP A 70 9.942 0.748 -1.484 1.00 0.00 O ATOM 1057 CB ASP A 70 10.012 -1.820 0.546 1.00 0.00 C ATOM 1058 CG ASP A 70 10.204 -3.032 -0.380 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.364 -3.408 -0.659 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.193 -3.626 -0.814 1.00 0.00 O ATOM 0 H ASP A 70 9.841 0.994 0.751 1.00 0.00 H new ATOM 0 HA ASP A 70 11.954 -1.049 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.205 -2.115 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.976 -1.485 0.499 1.00 0.00 H new ATOM 1065 N CYS A 71 11.379 -0.807 -2.268 1.00 0.00 N ATOM 1066 CA CYS A 71 11.409 -0.289 -3.638 1.00 0.00 C ATOM 1067 C CYS A 71 11.537 -1.379 -4.703 1.00 0.00 C ATOM 1068 O CYS A 71 11.954 -2.500 -4.403 1.00 0.00 O ATOM 1069 CB CYS A 71 12.621 0.644 -3.799 1.00 0.00 C ATOM 1070 SG CYS A 71 12.725 1.871 -2.479 1.00 0.00 S ATOM 0 H CYS A 71 11.914 -1.666 -2.140 1.00 0.00 H new ATOM 0 HA CYS A 71 10.459 0.224 -3.788 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.535 0.050 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.559 1.153 -4.761 1.00 0.00 H new ATOM 0 HG CYS A 71 13.431 1.393 -1.497 1.00 0.00 H new ATOM 1076 N GLU A 72 11.268 -1.026 -5.966 1.00 0.00 N ATOM 1077 CA GLU A 72 11.369 -1.917 -7.113 1.00 0.00 C ATOM 1078 C GLU A 72 11.671 -1.072 -8.354 1.00 0.00 C ATOM 1079 O GLU A 72 10.972 -0.094 -8.612 1.00 0.00 O ATOM 1080 CB GLU A 72 10.036 -2.673 -7.250 1.00 0.00 C ATOM 1081 CG GLU A 72 10.001 -3.531 -8.517 1.00 0.00 C ATOM 1082 CD GLU A 72 8.793 -4.485 -8.529 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.682 -4.070 -8.927 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.948 -5.671 -8.156 1.00 0.00 O ATOM 0 H GLU A 72 10.966 -0.085 -6.218 1.00 0.00 H new ATOM 0 HA GLU A 72 12.170 -2.646 -6.992 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.886 -3.307 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.213 -1.959 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.962 -2.884 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.922 -4.110 -8.589 1.00 0.00 H new ATOM 1091 N CYS A 73 12.705 -1.421 -9.123 1.00 0.00 N ATOM 1092 CA CYS A 73 12.951 -0.830 -10.433 1.00 0.00 C ATOM 1093 C CYS A 73 11.813 -1.274 -11.364 1.00 0.00 C ATOM 1094 O CYS A 73 11.650 -2.467 -11.634 1.00 0.00 O ATOM 1095 CB CYS A 73 14.341 -1.231 -10.967 1.00 0.00 C ATOM 1096 SG CYS A 73 14.711 -2.981 -10.625 1.00 0.00 S ATOM 0 H CYS A 73 13.394 -2.122 -8.851 1.00 0.00 H new ATOM 0 HA CYS A 73 12.960 0.258 -10.371 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.384 -1.053 -12.041 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.103 -0.601 -10.509 1.00 0.00 H new ATOM 0 HG CYS A 73 15.528 -3.436 -11.528 1.00 0.00 H new ATOM 1102 N LEU A 74 11.010 -0.323 -11.847 1.00 0.00 N ATOM 1103 CA LEU A 74 9.980 -0.596 -12.845 1.00 0.00 C ATOM 1104 C LEU A 74 10.630 -0.904 -14.198 1.00 0.00 C ATOM 1105 O LEU A 74 10.066 -1.643 -15.005 1.00 0.00 O ATOM 1106 CB LEU A 74 9.028 0.605 -12.980 1.00 0.00 C ATOM 1107 CG LEU A 74 8.207 0.937 -11.718 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.231 2.072 -12.039 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.416 -0.263 -11.180 1.00 0.00 C ATOM 0 H LEU A 74 11.057 0.654 -11.557 1.00 0.00 H new ATOM 0 HA LEU A 74 9.403 -1.462 -12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.613 1.483 -13.255 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.339 0.411 -13.802 1.00 0.00 H new ATOM 0 HG LEU A 74 8.916 1.229 -10.944 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.647 2.312 -11.150 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.789 2.953 -12.355 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.561 1.760 -12.840 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.860 0.037 -10.292 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.720 -0.612 -11.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.105 -1.067 -10.922 1.00 0.00 H new ATOM 1121 N GLY A 75 11.816 -0.345 -14.439 1.00 0.00 N ATOM 1122 CA GLY A 75 12.616 -0.519 -15.635 1.00 0.00 C ATOM 1123 C GLY A 75 13.672 0.578 -15.648 1.00 0.00 C ATOM 1124 O GLY A 75 13.887 1.259 -14.640 1.00 0.00 O ATOM 0 H GLY A 75 12.262 0.274 -13.763 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.086 -1.503 -15.641 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.991 -0.459 -16.526 1.00 0.00 H new ATOM 1128 N GLY A 76 14.293 0.803 -16.800 1.00 0.00 N ATOM 1129 CA GLY A 76 15.192 1.926 -17.002 1.00 0.00 C ATOM 1130 C GLY A 76 15.491 2.084 -18.483 1.00 0.00 C ATOM 1131 O GLY A 76 14.797 1.507 -19.326 1.00 0.00 O ATOM 0 H GLY A 76 14.185 0.208 -17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 76 14.742 2.839 -16.613 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.118 1.767 -16.449 1.00 0.00 H new ATOM 1135 N GLY A 77 16.534 2.849 -18.785 1.00 0.00 N ATOM 1136 CA GLY A 77 16.917 3.208 -20.139 1.00 0.00 C ATOM 1137 C GLY A 77 18.193 4.036 -20.095 1.00 0.00 C ATOM 1138 O GLY A 77 18.894 4.065 -19.075 1.00 0.00 O ATOM 0 H GLY A 77 17.150 3.245 -18.075 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.073 2.309 -20.736 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.118 3.774 -20.618 1.00 0.00 H new ATOM 1142 N ARG A 78 18.502 4.726 -21.188 1.00 0.00 N ATOM 1143 CA ARG A 78 19.707 5.527 -21.327 1.00 0.00 C ATOM 1144 C ARG A 78 19.291 6.957 -21.648 1.00 0.00 C ATOM 1145 O ARG A 78 18.175 7.202 -22.116 1.00 0.00 O ATOM 1146 CB ARG A 78 20.618 4.865 -22.380 1.00 0.00 C ATOM 1147 CG ARG A 78 22.027 5.475 -22.440 1.00 0.00 C ATOM 1148 CD ARG A 78 23.012 4.634 -23.257 1.00 0.00 C ATOM 1149 NE ARG A 78 22.673 4.648 -24.687 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.390 3.604 -25.473 1.00 0.00 C ATOM 1151 NH1 ARG A 78 22.397 2.356 -25.016 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.090 3.833 -26.741 1.00 0.00 N ATOM 0 H ARG A 78 17.908 4.743 -22.017 1.00 0.00 H new ATOM 0 HA ARG A 78 20.294 5.575 -20.410 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.700 3.801 -22.160 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.150 4.953 -23.361 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.966 6.474 -22.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.410 5.589 -21.426 1.00 0.00 H new ATOM 0 HD2 ARG A 78 24.023 5.017 -23.118 1.00 0.00 H new ATOM 0 HD3 ARG A 78 23.007 3.607 -22.891 1.00 0.00 H new ATOM 0 HE ARG A 78 22.651 5.565 -25.134 1.00 0.00 H new ATOM 0 HH11 ARG A 78 22.623 2.172 -24.039 1.00 0.00 H new ATOM 0 HH12 ARG A 78 22.176 1.582 -25.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 22.079 4.788 -27.098 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.870 3.054 -27.362 1.00 0.00 H new ATOM 1166 N ILE A 79 20.182 7.900 -21.361 1.00 0.00 N ATOM 1167 CA ILE A 79 19.988 9.321 -21.563 1.00 0.00 C ATOM 1168 C ILE A 79 21.250 9.774 -22.288 1.00 0.00 C ATOM 1169 O ILE A 79 22.367 9.446 -21.877 1.00 0.00 O ATOM 1170 CB ILE A 79 19.735 10.026 -20.204 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.427 9.493 -19.564 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.670 11.554 -20.386 1.00 0.00 C ATOM 1173 CD1 ILE A 79 17.996 10.169 -18.255 1.00 0.00 C ATOM 0 H ILE A 79 21.096 7.680 -20.965 1.00 0.00 H new ATOM 0 HA ILE A 79 19.109 9.574 -22.157 1.00 0.00 H new ATOM 0 HB ILE A 79 20.566 9.803 -19.535 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.620 9.602 -20.289 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.546 8.426 -19.377 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.492 12.028 -19.421 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.614 11.912 -20.797 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.858 11.805 -21.069 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.070 9.716 -17.899 1.00 0.00 H new ATOM 0 HD12 ILE A 79 18.775 10.039 -17.504 1.00 0.00 H new ATOM 0 HD13 ILE A 79 17.836 11.233 -18.430 1.00 0.00 H new ATOM 1185 N SER A 80 21.086 10.453 -23.421 1.00 0.00 N ATOM 1186 CA SER A 80 22.193 10.841 -24.288 1.00 0.00 C ATOM 1187 C SER A 80 21.776 12.104 -25.034 1.00 0.00 C ATOM 1188 O SER A 80 20.930 12.038 -25.929 1.00 0.00 O ATOM 1189 CB SER A 80 22.533 9.706 -25.272 1.00 0.00 C ATOM 1190 OG SER A 80 22.624 8.443 -24.625 1.00 0.00 O ATOM 0 H SER A 80 20.173 10.751 -23.765 1.00 0.00 H new ATOM 0 HA SER A 80 23.089 11.034 -23.699 1.00 0.00 H new ATOM 0 HB2 SER A 80 21.770 9.660 -26.049 1.00 0.00 H new ATOM 0 HB3 SER A 80 23.479 9.928 -25.767 1.00 0.00 H new ATOM 0 HG SER A 80 22.229 7.753 -25.198 1.00 0.00 H new ATOM 1196 N HIS A 81 22.311 13.261 -24.638 1.00 0.00 N ATOM 1197 CA HIS A 81 22.037 14.527 -25.306 1.00 0.00 C ATOM 1198 C HIS A 81 23.091 15.565 -24.917 1.00 0.00 C ATOM 1199 O HIS A 81 23.967 15.295 -24.091 1.00 0.00 O ATOM 1200 CB HIS A 81 20.630 15.032 -24.935 1.00 0.00 C ATOM 1201 CG HIS A 81 19.937 15.732 -26.076 1.00 0.00 C ATOM 1202 ND1 HIS A 81 19.607 17.066 -26.157 1.00 0.00 N ATOM 1203 CD2 HIS A 81 19.519 15.143 -27.241 1.00 0.00 C ATOM 1204 CE1 HIS A 81 19.018 17.274 -27.345 1.00 0.00 C ATOM 1205 NE2 HIS A 81 18.937 16.129 -28.048 1.00 0.00 N ATOM 0 H HIS A 81 22.946 13.342 -23.844 1.00 0.00 H new ATOM 0 HA HIS A 81 22.078 14.371 -26.384 1.00 0.00 H new ATOM 0 HB2 HIS A 81 20.021 14.189 -24.610 1.00 0.00 H new ATOM 0 HB3 HIS A 81 20.706 15.715 -24.089 1.00 0.00 H new ATOM 0 HD1 HIS A 81 19.780 17.772 -25.441 1.00 0.00 H new ATOM 0 HD2 HIS A 81 19.621 14.098 -27.493 1.00 0.00 H new ATOM 0 HE1 HIS A 81 18.657 18.232 -27.691 1.00 0.00 H new ATOM 1213 N GLN A 82 22.968 16.769 -25.479 1.00 0.00 N ATOM 1214 CA GLN A 82 23.741 17.933 -25.087 1.00 0.00 C ATOM 1215 C GLN A 82 22.740 18.970 -24.586 1.00 0.00 C ATOM 1216 O GLN A 82 22.249 19.801 -25.352 1.00 0.00 O ATOM 1217 CB GLN A 82 24.619 18.457 -26.238 1.00 0.00 C ATOM 1218 CG GLN A 82 25.773 17.513 -26.619 1.00 0.00 C ATOM 1219 CD GLN A 82 25.333 16.294 -27.437 1.00 0.00 C ATOM 1220 OE1 GLN A 82 24.784 16.418 -28.529 1.00 0.00 O ATOM 1221 NE2 GLN A 82 25.569 15.088 -26.942 1.00 0.00 N ATOM 0 H GLN A 82 22.311 16.959 -26.236 1.00 0.00 H new ATOM 0 HA GLN A 82 24.449 17.683 -24.297 1.00 0.00 H new ATOM 0 HB2 GLN A 82 23.992 18.622 -27.115 1.00 0.00 H new ATOM 0 HB3 GLN A 82 25.032 19.425 -25.955 1.00 0.00 H new ATOM 0 HG2 GLN A 82 26.514 18.073 -27.189 1.00 0.00 H new ATOM 0 HG3 GLN A 82 26.264 17.169 -25.709 1.00 0.00 H new ATOM 0 HE21 GLN A 82 26.025 14.989 -26.035 1.00 0.00 H new ATOM 0 HE22 GLN A 82 25.295 14.258 -27.468 1.00 0.00 H new ATOM 1230 N SER A 83 22.424 18.913 -23.298 1.00 0.00 N ATOM 1231 CA SER A 83 21.660 19.931 -22.592 1.00 0.00 C ATOM 1232 C SER A 83 22.355 21.296 -22.698 1.00 0.00 C ATOM 1233 O SER A 83 21.682 22.327 -22.700 1.00 0.00 O ATOM 1234 CB SER A 83 21.490 19.519 -21.122 1.00 0.00 C ATOM 1235 OG SER A 83 21.475 18.112 -20.952 1.00 0.00 O ATOM 0 H SER A 83 22.701 18.134 -22.700 1.00 0.00 H new ATOM 0 HA SER A 83 20.675 20.020 -23.050 1.00 0.00 H new ATOM 0 HB2 SER A 83 22.302 19.945 -20.532 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.561 19.939 -20.735 1.00 0.00 H new ATOM 0 HG SER A 83 21.469 17.898 -19.996 1.00 0.00 H new ATOM 1241 N GLN A 84 23.689 21.299 -22.848 1.00 0.00 N ATOM 1242 CA GLN A 84 24.477 22.485 -23.173 1.00 0.00 C ATOM 1243 C GLN A 84 23.963 23.190 -24.440 1.00 0.00 C ATOM 1244 O GLN A 84 24.091 24.412 -24.537 1.00 0.00 O ATOM 1245 CB GLN A 84 25.957 22.106 -23.352 1.00 0.00 C ATOM 1246 CG GLN A 84 26.655 21.761 -22.029 1.00 0.00 C ATOM 1247 CD GLN A 84 28.118 21.373 -22.259 1.00 0.00 C ATOM 1248 OE1 GLN A 84 28.953 22.210 -22.597 1.00 0.00 O ATOM 1249 NE2 GLN A 84 28.474 20.110 -22.092 1.00 0.00 N ATOM 0 H GLN A 84 24.256 20.457 -22.743 1.00 0.00 H new ATOM 0 HA GLN A 84 24.374 23.181 -22.341 1.00 0.00 H new ATOM 0 HB2 GLN A 84 26.028 21.253 -24.027 1.00 0.00 H new ATOM 0 HB3 GLN A 84 26.483 22.934 -23.828 1.00 0.00 H new ATOM 0 HG2 GLN A 84 26.605 22.616 -21.355 1.00 0.00 H new ATOM 0 HG3 GLN A 84 26.130 20.939 -21.542 1.00 0.00 H new ATOM 0 HE21 GLN A 84 27.780 19.417 -21.812 1.00 0.00 H new ATOM 0 HE22 GLN A 84 29.443 19.829 -22.244 1.00 0.00 H new ATOM 1258 N ASP A 85 23.385 22.453 -25.399 1.00 0.00 N ATOM 1259 CA ASP A 85 22.679 23.044 -26.531 1.00 0.00 C ATOM 1260 C ASP A 85 21.228 23.289 -26.119 1.00 0.00 C ATOM 1261 O ASP A 85 20.883 24.428 -25.810 1.00 0.00 O ATOM 1262 CB ASP A 85 22.779 22.168 -27.786 1.00 0.00 C ATOM 1263 CG ASP A 85 21.950 22.769 -28.934 1.00 0.00 C ATOM 1264 OD1 ASP A 85 22.233 23.914 -29.353 1.00 0.00 O ATOM 1265 OD2 ASP A 85 21.029 22.092 -29.440 1.00 0.00 O ATOM 0 H ASP A 85 23.397 21.433 -25.407 1.00 0.00 H new ATOM 0 HA ASP A 85 23.145 23.993 -26.795 1.00 0.00 H new ATOM 0 HB2 ASP A 85 23.822 22.079 -28.091 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.425 21.162 -27.563 1.00 0.00 H new ATOM 1270 N LYS A 86 20.398 22.242 -26.034 1.00 0.00 N ATOM 1271 CA LYS A 86 19.002 22.290 -25.585 1.00 0.00 C ATOM 1272 C LYS A 86 18.604 20.879 -25.152 1.00 0.00 C ATOM 1273 O LYS A 86 19.012 19.922 -25.807 1.00 0.00 O ATOM 1274 CB LYS A 86 18.047 22.684 -26.739 1.00 0.00 C ATOM 1275 CG LYS A 86 17.981 24.151 -27.209 1.00 0.00 C ATOM 1276 CD LYS A 86 17.138 25.101 -26.335 1.00 0.00 C ATOM 1277 CE LYS A 86 17.724 25.515 -24.975 1.00 0.00 C ATOM 1278 NZ LYS A 86 18.973 26.305 -25.095 1.00 0.00 N ATOM 0 H LYS A 86 20.694 21.299 -26.287 1.00 0.00 H new ATOM 0 HA LYS A 86 18.924 23.023 -24.782 1.00 0.00 H new ATOM 0 HB2 LYS A 86 18.314 22.077 -27.604 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.040 22.391 -26.442 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.997 24.542 -27.260 1.00 0.00 H new ATOM 0 HG3 LYS A 86 17.581 24.170 -28.223 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.947 26.007 -26.910 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.173 24.627 -26.156 1.00 0.00 H new ATOM 0 HE2 LYS A 86 16.983 26.099 -24.430 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.922 24.621 -24.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 19.310 26.568 -24.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.699 25.736 -25.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 18.787 27.166 -25.648 1.00 0.00 H new ATOM 1292 N LYS A 87 17.712 20.792 -24.155 1.00 0.00 N ATOM 1293 CA LYS A 87 16.995 19.604 -23.658 1.00 0.00 C ATOM 1294 C LYS A 87 17.842 18.347 -23.414 1.00 0.00 C ATOM 1295 O LYS A 87 19.054 18.326 -23.608 1.00 0.00 O ATOM 1296 CB LYS A 87 15.725 19.336 -24.510 1.00 0.00 C ATOM 1297 CG LYS A 87 15.999 18.728 -25.887 1.00 0.00 C ATOM 1298 CD LYS A 87 14.721 18.220 -26.561 1.00 0.00 C ATOM 1299 CE LYS A 87 15.086 17.606 -27.920 1.00 0.00 C ATOM 1300 NZ LYS A 87 13.916 16.981 -28.580 1.00 0.00 N ATOM 0 H LYS A 87 17.449 21.624 -23.627 1.00 0.00 H new ATOM 0 HA LYS A 87 16.688 19.862 -22.645 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.066 18.667 -23.956 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.187 20.275 -24.642 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.471 19.475 -26.525 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.705 17.904 -25.784 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.232 17.477 -25.931 1.00 0.00 H new ATOM 0 HD3 LYS A 87 14.014 19.039 -26.695 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.497 18.380 -28.568 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.867 16.858 -27.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.207 16.579 -29.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.538 16.225 -27.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.181 17.700 -28.736 1.00 0.00 H new ATOM 1314 N ILE A 88 17.185 17.275 -22.979 1.00 0.00 N ATOM 1315 CA ILE A 88 17.761 15.939 -22.855 1.00 0.00 C ATOM 1316 C ILE A 88 16.765 14.951 -23.480 1.00 0.00 C ATOM 1317 O ILE A 88 15.641 15.333 -23.818 1.00 0.00 O ATOM 1318 CB ILE A 88 18.175 15.585 -21.391 1.00 0.00 C ATOM 1319 CG1 ILE A 88 18.175 16.777 -20.393 1.00 0.00 C ATOM 1320 CG2 ILE A 88 19.564 14.921 -21.415 1.00 0.00 C ATOM 1321 CD1 ILE A 88 18.472 16.390 -18.938 1.00 0.00 C ATOM 0 H ILE A 88 16.206 17.313 -22.694 1.00 0.00 H new ATOM 0 HA ILE A 88 18.706 15.884 -23.396 1.00 0.00 H new ATOM 0 HB ILE A 88 17.407 14.908 -21.016 1.00 0.00 H new ATOM 0 HG12 ILE A 88 18.915 17.508 -20.719 1.00 0.00 H new ATOM 0 HG13 ILE A 88 17.203 17.268 -20.434 1.00 0.00 H new ATOM 0 HG21 ILE A 88 19.864 14.669 -20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 88 19.523 14.013 -22.017 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.289 15.610 -21.847 1.00 0.00 H new ATOM 0 HD11 ILE A 88 18.452 17.283 -18.313 1.00 0.00 H new ATOM 0 HD12 ILE A 88 17.718 15.685 -18.588 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.457 15.928 -18.878 1.00 0.00 H new ATOM 1333 N HIS A 89 17.150 13.685 -23.650 1.00 0.00 N ATOM 1334 CA HIS A 89 16.315 12.683 -24.302 1.00 0.00 C ATOM 1335 C HIS A 89 16.466 11.363 -23.553 1.00 0.00 C ATOM 1336 O HIS A 89 17.582 11.009 -23.171 1.00 0.00 O ATOM 1337 CB HIS A 89 16.724 12.555 -25.779 1.00 0.00 C ATOM 1338 CG HIS A 89 15.734 11.782 -26.617 1.00 0.00 C ATOM 1339 ND1 HIS A 89 15.497 10.425 -26.576 1.00 0.00 N ATOM 1340 CD2 HIS A 89 14.908 12.301 -27.581 1.00 0.00 C ATOM 1341 CE1 HIS A 89 14.546 10.141 -27.481 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.148 11.254 -28.120 1.00 0.00 N ATOM 0 H HIS A 89 18.053 13.328 -23.337 1.00 0.00 H new ATOM 0 HA HIS A 89 15.265 12.976 -24.277 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.844 13.553 -26.202 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.696 12.065 -25.837 1.00 0.00 H new ATOM 0 HD2 HIS A 89 14.853 13.339 -27.875 1.00 0.00 H new ATOM 0 HE1 HIS A 89 14.154 9.152 -27.669 1.00 0.00 H new ATOM 0 HE2 HIS A 89 13.438 11.323 -28.849 1.00 0.00 H new ATOM 1350 N VAL A 90 15.365 10.633 -23.369 1.00 0.00 N ATOM 1351 CA VAL A 90 15.297 9.391 -22.601 1.00 0.00 C ATOM 1352 C VAL A 90 14.837 8.301 -23.575 1.00 0.00 C ATOM 1353 O VAL A 90 13.899 8.525 -24.340 1.00 0.00 O ATOM 1354 CB VAL A 90 14.314 9.568 -21.418 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.412 8.391 -20.440 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.540 10.866 -20.618 1.00 0.00 C ATOM 0 H VAL A 90 14.464 10.901 -23.765 1.00 0.00 H new ATOM 0 HA VAL A 90 16.260 9.117 -22.171 1.00 0.00 H new ATOM 0 HB VAL A 90 13.326 9.614 -21.877 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.711 8.541 -19.619 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.169 7.465 -20.960 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.426 8.330 -20.045 1.00 0.00 H new ATOM 0 HG21 VAL A 90 13.816 10.923 -19.805 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.549 10.868 -20.206 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.415 11.726 -21.276 1.00 0.00 H new ATOM 1366 N TYR A 91 15.523 7.161 -23.641 1.00 0.00 N ATOM 1367 CA TYR A 91 15.277 6.160 -24.677 1.00 0.00 C ATOM 1368 C TYR A 91 15.859 4.803 -24.272 1.00 0.00 C ATOM 1369 O TYR A 91 16.467 4.671 -23.206 1.00 0.00 O ATOM 1370 CB TYR A 91 15.858 6.647 -26.022 1.00 0.00 C ATOM 1371 CG TYR A 91 17.374 6.670 -26.132 1.00 0.00 C ATOM 1372 CD1 TYR A 91 18.147 7.498 -25.295 1.00 0.00 C ATOM 1373 CD2 TYR A 91 18.018 5.867 -27.094 1.00 0.00 C ATOM 1374 CE1 TYR A 91 19.546 7.496 -25.387 1.00 0.00 C ATOM 1375 CE2 TYR A 91 19.418 5.882 -27.214 1.00 0.00 C ATOM 1376 CZ TYR A 91 20.190 6.704 -26.360 1.00 0.00 C ATOM 1377 OH TYR A 91 21.547 6.733 -26.481 1.00 0.00 O ATOM 0 H TYR A 91 16.260 6.907 -22.983 1.00 0.00 H new ATOM 0 HA TYR A 91 14.202 6.027 -24.796 1.00 0.00 H new ATOM 0 HB2 TYR A 91 15.467 6.009 -26.815 1.00 0.00 H new ATOM 0 HB3 TYR A 91 15.486 7.654 -26.211 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.658 8.139 -24.577 1.00 0.00 H new ATOM 0 HD2 TYR A 91 17.431 5.235 -27.744 1.00 0.00 H new ATOM 0 HE1 TYR A 91 20.132 8.102 -24.712 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.904 5.267 -27.957 1.00 0.00 H new ATOM 0 HH TYR A 91 21.789 6.875 -27.420 1.00 0.00 H new ATOM 1387 N GLY A 92 15.709 3.801 -25.141 1.00 0.00 N ATOM 1388 CA GLY A 92 16.263 2.475 -24.933 1.00 0.00 C ATOM 1389 C GLY A 92 15.512 1.716 -23.843 1.00 0.00 C ATOM 1390 O GLY A 92 14.347 1.997 -23.547 1.00 0.00 O ATOM 0 H GLY A 92 15.193 3.895 -26.016 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.219 1.912 -25.865 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.315 2.558 -24.660 1.00 0.00 H new ATOM 1394 N TYR A 93 16.187 0.724 -23.268 1.00 0.00 N ATOM 1395 CA TYR A 93 15.684 -0.144 -22.214 1.00 0.00 C ATOM 1396 C TYR A 93 16.852 -0.469 -21.285 1.00 0.00 C ATOM 1397 O TYR A 93 18.008 -0.423 -21.720 1.00 0.00 O ATOM 1398 CB TYR A 93 15.091 -1.424 -22.828 1.00 0.00 C ATOM 1399 CG TYR A 93 16.041 -2.260 -23.671 1.00 0.00 C ATOM 1400 CD1 TYR A 93 16.249 -1.944 -25.028 1.00 0.00 C ATOM 1401 CD2 TYR A 93 16.704 -3.367 -23.105 1.00 0.00 C ATOM 1402 CE1 TYR A 93 17.126 -2.714 -25.810 1.00 0.00 C ATOM 1403 CE2 TYR A 93 17.576 -4.147 -23.884 1.00 0.00 C ATOM 1404 CZ TYR A 93 17.796 -3.821 -25.243 1.00 0.00 C ATOM 1405 OH TYR A 93 18.640 -4.563 -26.013 1.00 0.00 O ATOM 0 H TYR A 93 17.143 0.495 -23.539 1.00 0.00 H new ATOM 0 HA TYR A 93 14.891 0.347 -21.650 1.00 0.00 H new ATOM 0 HB2 TYR A 93 14.709 -2.048 -22.020 1.00 0.00 H new ATOM 0 HB3 TYR A 93 14.238 -1.145 -23.446 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.731 -1.105 -25.470 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.541 -3.617 -22.067 1.00 0.00 H new ATOM 0 HE1 TYR A 93 17.288 -2.459 -26.847 1.00 0.00 H new ATOM 0 HE2 TYR A 93 18.079 -4.996 -23.445 1.00 0.00 H new ATOM 0 HH TYR A 93 19.022 -5.287 -25.475 1.00 0.00 H new ATOM 1415 N SER A 94 16.577 -0.777 -20.014 1.00 0.00 N ATOM 1416 CA SER A 94 17.650 -1.140 -19.103 1.00 0.00 C ATOM 1417 C SER A 94 18.186 -2.513 -19.489 1.00 0.00 C ATOM 1418 O SER A 94 17.415 -3.464 -19.658 1.00 0.00 O ATOM 1419 CB SER A 94 17.235 -1.072 -17.630 1.00 0.00 C ATOM 1420 OG SER A 94 16.170 -1.937 -17.304 1.00 0.00 O ATOM 0 H SER A 94 15.642 -0.781 -19.606 1.00 0.00 H new ATOM 0 HA SER A 94 18.447 -0.404 -19.202 1.00 0.00 H new ATOM 0 HB2 SER A 94 18.095 -1.317 -17.007 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.948 -0.049 -17.389 1.00 0.00 H new ATOM 0 HG SER A 94 15.337 -1.588 -17.685 1.00 0.00 H new ATOM 1426 N MET A 95 19.510 -2.640 -19.544 1.00 0.00 N ATOM 1427 CA MET A 95 20.226 -3.897 -19.763 1.00 0.00 C ATOM 1428 C MET A 95 20.185 -4.788 -18.501 1.00 0.00 C ATOM 1429 O MET A 95 21.153 -5.488 -18.196 1.00 0.00 O ATOM 1430 CB MET A 95 21.666 -3.579 -20.221 1.00 0.00 C ATOM 1431 CG MET A 95 21.714 -2.717 -21.493 1.00 0.00 C ATOM 1432 SD MET A 95 20.949 -3.473 -22.956 1.00 0.00 S ATOM 1433 CE MET A 95 20.848 -2.019 -24.035 1.00 0.00 C ATOM 0 H MET A 95 20.137 -1.843 -19.434 1.00 0.00 H new ATOM 0 HA MET A 95 19.737 -4.471 -20.550 1.00 0.00 H new ATOM 0 HB2 MET A 95 22.191 -3.062 -19.418 1.00 0.00 H new ATOM 0 HB3 MET A 95 22.199 -4.513 -20.401 1.00 0.00 H new ATOM 0 HG2 MET A 95 21.218 -1.768 -21.291 1.00 0.00 H new ATOM 0 HG3 MET A 95 22.755 -2.490 -21.722 1.00 0.00 H new ATOM 0 HE1 MET A 95 20.398 -2.303 -24.987 1.00 0.00 H new ATOM 0 HE2 MET A 95 20.236 -1.254 -23.558 1.00 0.00 H new ATOM 0 HE3 MET A 95 21.849 -1.625 -24.210 1.00 0.00 H new ATOM 1443 N ALA A 96 19.096 -4.717 -17.726 1.00 0.00 N ATOM 1444 CA ALA A 96 18.909 -5.413 -16.460 1.00 0.00 C ATOM 1445 C ALA A 96 17.425 -5.684 -16.179 1.00 0.00 C ATOM 1446 O ALA A 96 17.104 -6.779 -15.713 1.00 0.00 O ATOM 1447 CB ALA A 96 19.502 -4.569 -15.324 1.00 0.00 C ATOM 0 H ALA A 96 18.290 -4.147 -17.981 1.00 0.00 H new ATOM 0 HA ALA A 96 19.420 -6.374 -16.521 1.00 0.00 H new ATOM 0 HB1 ALA A 96 19.364 -5.087 -14.375 1.00 0.00 H new ATOM 0 HB2 ALA A 96 20.566 -4.416 -15.502 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.998 -3.603 -15.287 1.00 0.00 H new ATOM 1453 N TYR A 97 16.524 -4.736 -16.480 1.00 0.00 N ATOM 1454 CA TYR A 97 15.120 -4.795 -16.056 1.00 0.00 C ATOM 1455 C TYR A 97 14.127 -4.446 -17.179 1.00 0.00 C ATOM 1456 O TYR A 97 12.919 -4.431 -16.931 1.00 0.00 O ATOM 1457 CB TYR A 97 14.920 -3.866 -14.842 1.00 0.00 C ATOM 1458 CG TYR A 97 15.952 -4.011 -13.736 1.00 0.00 C ATOM 1459 CD1 TYR A 97 16.056 -5.222 -13.025 1.00 0.00 C ATOM 1460 CD2 TYR A 97 16.821 -2.943 -13.429 1.00 0.00 C ATOM 1461 CE1 TYR A 97 17.029 -5.377 -12.022 1.00 0.00 C ATOM 1462 CE2 TYR A 97 17.787 -3.086 -12.417 1.00 0.00 C ATOM 1463 CZ TYR A 97 17.900 -4.308 -11.713 1.00 0.00 C ATOM 1464 OH TYR A 97 18.846 -4.449 -10.744 1.00 0.00 O ATOM 0 H TYR A 97 16.751 -3.905 -17.026 1.00 0.00 H new ATOM 0 HA TYR A 97 14.904 -5.828 -15.782 1.00 0.00 H new ATOM 0 HB2 TYR A 97 14.928 -2.833 -15.191 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.932 -4.053 -14.421 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.384 -6.037 -13.252 1.00 0.00 H new ATOM 0 HD2 TYR A 97 16.744 -2.013 -13.973 1.00 0.00 H new ATOM 0 HE1 TYR A 97 17.111 -6.312 -11.488 1.00 0.00 H new ATOM 0 HE2 TYR A 97 18.443 -2.262 -12.177 1.00 0.00 H new ATOM 0 HH TYR A 97 19.615 -4.936 -11.106 1.00 0.00 H new ATOM 1474 N GLY A 98 14.596 -4.189 -18.405 1.00 0.00 N ATOM 1475 CA GLY A 98 13.738 -3.834 -19.531 1.00 0.00 C ATOM 1476 C GLY A 98 13.372 -2.345 -19.533 1.00 0.00 C ATOM 1477 O GLY A 98 13.915 -1.565 -18.738 1.00 0.00 O ATOM 0 H GLY A 98 15.588 -4.223 -18.641 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.244 -4.083 -20.464 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.826 -4.430 -19.493 1.00 0.00 H new ATOM 1481 N PRO A 99 12.515 -1.908 -20.470 1.00 0.00 N ATOM 1482 CA PRO A 99 12.155 -0.507 -20.607 1.00 0.00 C ATOM 1483 C PRO A 99 11.238 -0.072 -19.464 1.00 0.00 C ATOM 1484 O PRO A 99 10.286 -0.772 -19.105 1.00 0.00 O ATOM 1485 CB PRO A 99 11.458 -0.389 -21.966 1.00 0.00 C ATOM 1486 CG PRO A 99 10.868 -1.781 -22.192 1.00 0.00 C ATOM 1487 CD PRO A 99 11.854 -2.714 -21.489 1.00 0.00 C ATOM 0 HA PRO A 99 13.028 0.144 -20.558 1.00 0.00 H new ATOM 0 HB2 PRO A 99 10.683 0.377 -21.953 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.161 -0.119 -22.754 1.00 0.00 H new ATOM 0 HG2 PRO A 99 9.867 -1.865 -21.769 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.786 -2.013 -23.254 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.336 -3.562 -21.040 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.578 -3.120 -22.195 1.00 0.00 H new ATOM 1495 N ALA A 100 11.523 1.100 -18.900 1.00 0.00 N ATOM 1496 CA ALA A 100 10.628 1.761 -17.963 1.00 0.00 C ATOM 1497 C ALA A 100 9.454 2.394 -18.717 1.00 0.00 C ATOM 1498 O ALA A 100 9.449 2.477 -19.949 1.00 0.00 O ATOM 1499 CB ALA A 100 11.394 2.894 -17.281 1.00 0.00 C ATOM 0 H ALA A 100 12.384 1.616 -19.083 1.00 0.00 H new ATOM 0 HA ALA A 100 10.262 1.030 -17.242 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.739 3.402 -16.574 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.253 2.484 -16.750 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.738 3.605 -18.032 1.00 0.00 H new ATOM 1505 N GLN A 101 8.478 2.897 -17.958 1.00 0.00 N ATOM 1506 CA GLN A 101 7.424 3.749 -18.484 1.00 0.00 C ATOM 1507 C GLN A 101 8.081 5.122 -18.658 1.00 0.00 C ATOM 1508 O GLN A 101 7.954 5.981 -17.791 1.00 0.00 O ATOM 1509 CB GLN A 101 6.225 3.811 -17.520 1.00 0.00 C ATOM 1510 CG GLN A 101 5.360 2.550 -17.581 1.00 0.00 C ATOM 1511 CD GLN A 101 4.252 2.583 -16.526 1.00 0.00 C ATOM 1512 OE1 GLN A 101 4.380 2.010 -15.446 1.00 0.00 O ATOM 1513 NE2 GLN A 101 3.147 3.260 -16.800 1.00 0.00 N ATOM 0 H GLN A 101 8.402 2.720 -16.956 1.00 0.00 H new ATOM 0 HA GLN A 101 7.021 3.372 -19.424 1.00 0.00 H new ATOM 0 HB2 GLN A 101 6.588 3.950 -16.502 1.00 0.00 H new ATOM 0 HB3 GLN A 101 5.613 4.680 -17.762 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.918 2.458 -18.573 1.00 0.00 H new ATOM 0 HG3 GLN A 101 5.985 1.670 -17.428 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.048 3.733 -17.698 1.00 0.00 H new ATOM 0 HE22 GLN A 101 2.395 3.308 -16.113 1.00 0.00 H new ATOM 1522 N HIS A 102 8.841 5.320 -19.736 1.00 0.00 N ATOM 1523 CA HIS A 102 9.615 6.541 -19.973 1.00 0.00 C ATOM 1524 C HIS A 102 8.758 7.811 -20.017 1.00 0.00 C ATOM 1525 O HIS A 102 9.286 8.913 -19.836 1.00 0.00 O ATOM 1526 CB HIS A 102 10.450 6.364 -21.243 1.00 0.00 C ATOM 1527 CG HIS A 102 11.563 5.373 -21.045 1.00 0.00 C ATOM 1528 ND1 HIS A 102 12.551 5.495 -20.114 1.00 0.00 N flip ATOM 1529 CD2 HIS A 102 11.720 4.143 -21.646 1.00 0.00 C flip ATOM 1530 CE1 HIS A 102 13.314 4.325 -20.123 1.00 0.00 C flip ATOM 1531 NE2 HIS A 102 12.780 3.543 -21.076 1.00 0.00 N flip ATOM 0 H HIS A 102 8.938 4.628 -20.479 1.00 0.00 H new ATOM 0 HA HIS A 102 10.278 6.689 -19.120 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.807 6.031 -22.057 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.868 7.326 -21.540 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.103 3.735 -22.433 1.00 0.00 H new ATOM 0 HE1 HIS A 102 14.160 4.096 -19.493 1.00 0.00 H new ATOM 0 HE2 HIS A 102 13.131 2.620 -21.332 1.00 0.00 H new ATOM 1539 N ALA A 103 7.443 7.669 -20.206 1.00 0.00 N ATOM 1540 CA ALA A 103 6.493 8.758 -20.044 1.00 0.00 C ATOM 1541 C ALA A 103 6.556 9.315 -18.612 1.00 0.00 C ATOM 1542 O ALA A 103 6.508 10.528 -18.440 1.00 0.00 O ATOM 1543 CB ALA A 103 5.085 8.252 -20.374 1.00 0.00 C ATOM 0 H ALA A 103 7.011 6.786 -20.478 1.00 0.00 H new ATOM 0 HA ALA A 103 6.747 9.568 -20.727 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.369 9.065 -20.254 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.059 7.894 -21.403 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.824 7.436 -19.700 1.00 0.00 H new ATOM 1549 N ILE A 104 6.705 8.462 -17.588 1.00 0.00 N ATOM 1550 CA ILE A 104 6.900 8.891 -16.202 1.00 0.00 C ATOM 1551 C ILE A 104 8.206 9.665 -16.111 1.00 0.00 C ATOM 1552 O ILE A 104 8.225 10.752 -15.540 1.00 0.00 O ATOM 1553 CB ILE A 104 6.960 7.691 -15.222 1.00 0.00 C ATOM 1554 CG1 ILE A 104 5.731 6.767 -15.293 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.171 8.171 -13.772 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.465 7.413 -14.731 1.00 0.00 C ATOM 0 H ILE A 104 6.693 7.449 -17.703 1.00 0.00 H new ATOM 0 HA ILE A 104 6.050 9.512 -15.919 1.00 0.00 H new ATOM 0 HB ILE A 104 7.816 7.098 -15.543 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.557 6.482 -16.331 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.940 5.850 -14.742 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.209 7.309 -13.105 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.108 8.724 -13.704 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.345 8.819 -13.480 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.634 6.712 -14.809 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.623 7.673 -13.684 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.234 8.315 -15.298 1.00 0.00 H new ATOM 1568 N SER A 105 9.291 9.107 -16.648 1.00 0.00 N ATOM 1569 CA SER A 105 10.619 9.666 -16.509 1.00 0.00 C ATOM 1570 C SER A 105 10.638 11.091 -17.057 1.00 0.00 C ATOM 1571 O SER A 105 11.040 12.022 -16.360 1.00 0.00 O ATOM 1572 CB SER A 105 11.599 8.734 -17.225 1.00 0.00 C ATOM 1573 OG SER A 105 11.355 7.404 -16.787 1.00 0.00 O ATOM 0 H SER A 105 9.264 8.247 -17.195 1.00 0.00 H new ATOM 0 HA SER A 105 10.919 9.736 -15.463 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.471 8.807 -18.305 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.627 9.023 -17.005 1.00 0.00 H new ATOM 0 HG SER A 105 12.135 6.846 -16.986 1.00 0.00 H new ATOM 1579 N THR A 106 10.120 11.273 -18.270 1.00 0.00 N ATOM 1580 CA THR A 106 10.002 12.589 -18.878 1.00 0.00 C ATOM 1581 C THR A 106 9.017 13.496 -18.129 1.00 0.00 C ATOM 1582 O THR A 106 9.360 14.653 -17.895 1.00 0.00 O ATOM 1583 CB THR A 106 9.682 12.477 -20.377 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.672 11.524 -20.658 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.939 12.099 -21.159 1.00 0.00 C ATOM 0 H THR A 106 9.772 10.513 -18.854 1.00 0.00 H new ATOM 0 HA THR A 106 10.973 13.077 -18.791 1.00 0.00 H new ATOM 0 HB THR A 106 9.314 13.456 -20.684 1.00 0.00 H new ATOM 0 HG1 THR A 106 9.013 10.623 -20.477 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.699 12.023 -22.219 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.702 12.864 -21.014 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.315 11.140 -20.802 1.00 0.00 H new ATOM 1593 N GLU A 107 7.847 13.009 -17.699 1.00 0.00 N ATOM 1594 CA GLU A 107 6.885 13.817 -16.946 1.00 0.00 C ATOM 1595 C GLU A 107 7.523 14.359 -15.666 1.00 0.00 C ATOM 1596 O GLU A 107 7.419 15.551 -15.370 1.00 0.00 O ATOM 1597 CB GLU A 107 5.610 13.005 -16.618 1.00 0.00 C ATOM 1598 CG GLU A 107 4.603 12.994 -17.780 1.00 0.00 C ATOM 1599 CD GLU A 107 3.911 14.358 -17.968 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.934 14.655 -17.244 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.322 15.137 -18.857 1.00 0.00 O ATOM 0 H GLU A 107 7.543 12.049 -17.863 1.00 0.00 H new ATOM 0 HA GLU A 107 6.593 14.661 -17.571 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.889 11.980 -16.374 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.133 13.425 -15.732 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.118 12.720 -18.701 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.849 12.229 -17.597 1.00 0.00 H new ATOM 1608 N LYS A 108 8.224 13.504 -14.920 1.00 0.00 N ATOM 1609 CA LYS A 108 8.859 13.885 -13.669 1.00 0.00 C ATOM 1610 C LYS A 108 10.035 14.817 -13.915 1.00 0.00 C ATOM 1611 O LYS A 108 10.158 15.812 -13.203 1.00 0.00 O ATOM 1612 CB LYS A 108 9.280 12.633 -12.890 1.00 0.00 C ATOM 1613 CG LYS A 108 8.043 11.940 -12.307 1.00 0.00 C ATOM 1614 CD LYS A 108 8.416 10.856 -11.286 1.00 0.00 C ATOM 1615 CE LYS A 108 7.182 10.430 -10.479 1.00 0.00 C ATOM 1616 NZ LYS A 108 6.671 11.538 -9.629 1.00 0.00 N ATOM 0 H LYS A 108 8.365 12.526 -15.172 1.00 0.00 H new ATOM 0 HA LYS A 108 8.139 14.434 -13.063 1.00 0.00 H new ATOM 0 HB2 LYS A 108 9.815 11.948 -13.548 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.966 12.907 -12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.403 12.682 -11.830 1.00 0.00 H new ATOM 0 HG3 LYS A 108 7.464 11.493 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 108 8.837 9.992 -11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 108 9.186 11.232 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 108 6.397 10.102 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.435 9.576 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 5.974 11.164 -8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 7.461 11.969 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 6.220 12.257 -10.230 1.00 0.00 H new ATOM 1630 N ILE A 109 10.875 14.550 -14.919 1.00 0.00 N ATOM 1631 CA ILE A 109 11.973 15.449 -15.260 1.00 0.00 C ATOM 1632 C ILE A 109 11.397 16.824 -15.621 1.00 0.00 C ATOM 1633 O ILE A 109 11.895 17.824 -15.114 1.00 0.00 O ATOM 1634 CB ILE A 109 12.876 14.829 -16.355 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.719 13.665 -15.777 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.841 15.874 -16.944 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.311 12.743 -16.856 1.00 0.00 C ATOM 0 H ILE A 109 10.813 13.719 -15.507 1.00 0.00 H new ATOM 0 HA ILE A 109 12.631 15.594 -14.404 1.00 0.00 H new ATOM 0 HB ILE A 109 12.215 14.461 -17.139 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.530 14.077 -15.177 1.00 0.00 H new ATOM 0 HG13 ILE A 109 13.096 13.073 -15.106 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.460 15.407 -17.709 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.269 16.688 -17.388 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.478 16.268 -16.152 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.889 11.951 -16.380 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.504 12.302 -17.441 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.961 13.322 -17.513 1.00 0.00 H new ATOM 1649 N LYS A 110 10.327 16.913 -16.422 1.00 0.00 N ATOM 1650 CA LYS A 110 9.718 18.204 -16.748 1.00 0.00 C ATOM 1651 C LYS A 110 9.169 18.891 -15.497 1.00 0.00 C ATOM 1652 O LYS A 110 9.347 20.101 -15.358 1.00 0.00 O ATOM 1653 CB LYS A 110 8.618 18.035 -17.807 1.00 0.00 C ATOM 1654 CG LYS A 110 9.224 17.764 -19.191 1.00 0.00 C ATOM 1655 CD LYS A 110 8.140 17.539 -20.250 1.00 0.00 C ATOM 1656 CE LYS A 110 8.815 17.342 -21.612 1.00 0.00 C ATOM 1657 NZ LYS A 110 7.847 17.074 -22.705 1.00 0.00 N ATOM 0 H LYS A 110 9.869 16.110 -16.853 1.00 0.00 H new ATOM 0 HA LYS A 110 10.496 18.845 -17.163 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.961 17.212 -17.526 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.003 18.934 -17.845 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.851 18.606 -19.485 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.870 16.888 -19.140 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.540 16.665 -19.996 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.463 18.392 -20.284 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.394 18.233 -21.857 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.519 16.513 -21.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.361 16.950 -23.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.311 16.209 -22.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.190 17.876 -22.791 1.00 0.00 H new ATOM 1671 N ALA A 111 8.531 18.149 -14.587 1.00 0.00 N ATOM 1672 CA ALA A 111 7.977 18.712 -13.360 1.00 0.00 C ATOM 1673 C ALA A 111 9.083 19.278 -12.457 1.00 0.00 C ATOM 1674 O ALA A 111 8.967 20.409 -11.982 1.00 0.00 O ATOM 1675 CB ALA A 111 7.158 17.648 -12.620 1.00 0.00 C ATOM 0 H ALA A 111 8.386 17.144 -14.683 1.00 0.00 H new ATOM 0 HA ALA A 111 7.319 19.539 -13.627 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.748 18.076 -11.705 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.343 17.307 -13.258 1.00 0.00 H new ATOM 0 HB3 ALA A 111 7.800 16.804 -12.369 1.00 0.00 H new ATOM 1681 N LYS A 112 10.152 18.508 -12.216 1.00 0.00 N ATOM 1682 CA LYS A 112 11.259 18.926 -11.349 1.00 0.00 C ATOM 1683 C LYS A 112 12.124 19.991 -12.030 1.00 0.00 C ATOM 1684 O LYS A 112 12.685 20.845 -11.345 1.00 0.00 O ATOM 1685 CB LYS A 112 12.060 17.677 -10.931 1.00 0.00 C ATOM 1686 CG LYS A 112 13.050 17.920 -9.774 1.00 0.00 C ATOM 1687 CD LYS A 112 14.487 18.211 -10.240 1.00 0.00 C ATOM 1688 CE LYS A 112 15.466 18.360 -9.063 1.00 0.00 C ATOM 1689 NZ LYS A 112 15.215 19.574 -8.243 1.00 0.00 N ATOM 0 H LYS A 112 10.273 17.578 -12.617 1.00 0.00 H new ATOM 0 HA LYS A 112 10.870 19.398 -10.447 1.00 0.00 H new ATOM 0 HB2 LYS A 112 11.362 16.892 -10.639 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.612 17.307 -11.795 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.695 18.758 -9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.058 17.044 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 112 14.825 17.405 -10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.495 19.125 -10.834 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.395 17.478 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 112 16.485 18.394 -9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.906 19.618 -7.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.309 20.421 -8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.254 19.534 -7.848 1.00 0.00 H new ATOM 1703 N TYR A 113 12.194 19.964 -13.362 1.00 0.00 N ATOM 1704 CA TYR A 113 13.002 20.825 -14.219 1.00 0.00 C ATOM 1705 C TYR A 113 14.471 20.884 -13.749 1.00 0.00 C ATOM 1706 O TYR A 113 14.947 21.942 -13.333 1.00 0.00 O ATOM 1707 CB TYR A 113 12.300 22.184 -14.401 1.00 0.00 C ATOM 1708 CG TYR A 113 12.565 22.843 -15.742 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.747 22.522 -16.844 1.00 0.00 C ATOM 1710 CD2 TYR A 113 13.601 23.783 -15.891 1.00 0.00 C ATOM 1711 CE1 TYR A 113 11.942 23.153 -18.084 1.00 0.00 C ATOM 1712 CE2 TYR A 113 13.804 24.420 -17.129 1.00 0.00 C ATOM 1713 CZ TYR A 113 12.968 24.116 -18.228 1.00 0.00 C ATOM 1714 OH TYR A 113 13.166 24.744 -19.421 1.00 0.00 O ATOM 0 H TYR A 113 11.650 19.293 -13.905 1.00 0.00 H new ATOM 0 HA TYR A 113 13.077 20.398 -15.219 1.00 0.00 H new ATOM 0 HB2 TYR A 113 11.225 22.045 -14.283 1.00 0.00 H new ATOM 0 HB3 TYR A 113 12.623 22.857 -13.607 1.00 0.00 H new ATOM 0 HD1 TYR A 113 10.965 21.786 -16.734 1.00 0.00 H new ATOM 0 HD2 TYR A 113 14.242 24.016 -15.053 1.00 0.00 H new ATOM 0 HE1 TYR A 113 11.311 22.904 -18.924 1.00 0.00 H new ATOM 0 HE2 TYR A 113 14.599 25.142 -17.240 1.00 0.00 H new ATOM 0 HH TYR A 113 14.074 24.561 -19.740 1.00 0.00 H new ATOM 1724 N PRO A 114 15.205 19.747 -13.765 1.00 0.00 N ATOM 1725 CA PRO A 114 16.566 19.666 -13.240 1.00 0.00 C ATOM 1726 C PRO A 114 17.569 20.506 -14.042 1.00 0.00 C ATOM 1727 O PRO A 114 18.589 20.919 -13.488 1.00 0.00 O ATOM 1728 CB PRO A 114 16.935 18.176 -13.260 1.00 0.00 C ATOM 1729 CG PRO A 114 16.070 17.608 -14.379 1.00 0.00 C ATOM 1730 CD PRO A 114 14.801 18.456 -14.302 1.00 0.00 C ATOM 0 HA PRO A 114 16.608 20.080 -12.233 1.00 0.00 H new ATOM 0 HB2 PRO A 114 17.996 18.028 -13.459 1.00 0.00 H new ATOM 0 HB3 PRO A 114 16.720 17.697 -12.305 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.557 17.699 -15.350 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.857 16.550 -14.226 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.348 18.569 -15.287 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.056 17.984 -13.661 1.00 0.00 H new ATOM 1738 N ASP A 115 17.290 20.776 -15.324 1.00 0.00 N ATOM 1739 CA ASP A 115 18.105 21.667 -16.153 1.00 0.00 C ATOM 1740 C ASP A 115 17.287 22.291 -17.285 1.00 0.00 C ATOM 1741 O ASP A 115 17.338 23.508 -17.466 1.00 0.00 O ATOM 1742 CB ASP A 115 19.299 20.912 -16.752 1.00 0.00 C ATOM 1743 CG ASP A 115 20.166 21.868 -17.590 1.00 0.00 C ATOM 1744 OD1 ASP A 115 20.922 22.672 -16.998 1.00 0.00 O ATOM 1745 OD2 ASP A 115 20.104 21.812 -18.836 1.00 0.00 O ATOM 0 H ASP A 115 16.489 20.380 -15.815 1.00 0.00 H new ATOM 0 HA ASP A 115 18.465 22.464 -15.503 1.00 0.00 H new ATOM 0 HB2 ASP A 115 19.897 20.472 -15.954 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.944 20.091 -17.375 1.00 0.00 H new ATOM 1750 N TYR A 116 16.511 21.483 -18.019 1.00 0.00 N ATOM 1751 CA TYR A 116 15.693 21.934 -19.142 1.00 0.00 C ATOM 1752 C TYR A 116 14.573 20.912 -19.413 1.00 0.00 C ATOM 1753 O TYR A 116 14.413 19.943 -18.666 1.00 0.00 O ATOM 1754 CB TYR A 116 16.586 22.151 -20.384 1.00 0.00 C ATOM 1755 CG TYR A 116 16.027 23.154 -21.380 1.00 0.00 C ATOM 1756 CD1 TYR A 116 16.118 24.530 -21.101 1.00 0.00 C ATOM 1757 CD2 TYR A 116 15.389 22.727 -22.563 1.00 0.00 C ATOM 1758 CE1 TYR A 116 15.560 25.476 -21.980 1.00 0.00 C ATOM 1759 CE2 TYR A 116 14.831 23.664 -23.449 1.00 0.00 C ATOM 1760 CZ TYR A 116 14.904 25.045 -23.157 1.00 0.00 C ATOM 1761 OH TYR A 116 14.350 25.946 -24.017 1.00 0.00 O ATOM 0 H TYR A 116 16.436 20.481 -17.842 1.00 0.00 H new ATOM 0 HA TYR A 116 15.222 22.887 -18.900 1.00 0.00 H new ATOM 0 HB2 TYR A 116 17.569 22.489 -20.057 1.00 0.00 H new ATOM 0 HB3 TYR A 116 16.728 21.195 -20.888 1.00 0.00 H new ATOM 0 HD1 TYR A 116 16.620 24.863 -20.205 1.00 0.00 H new ATOM 0 HD2 TYR A 116 15.329 21.673 -22.789 1.00 0.00 H new ATOM 0 HE1 TYR A 116 15.632 26.530 -21.757 1.00 0.00 H new ATOM 0 HE2 TYR A 116 14.346 23.329 -24.354 1.00 0.00 H new ATOM 0 HH TYR A 116 13.943 25.471 -24.771 1.00 0.00 H new ATOM 1771 N GLU A 117 13.809 21.140 -20.485 1.00 0.00 N ATOM 1772 CA GLU A 117 12.834 20.215 -21.063 1.00 0.00 C ATOM 1773 C GLU A 117 13.497 18.875 -21.435 1.00 0.00 C ATOM 1774 O GLU A 117 14.725 18.776 -21.520 1.00 0.00 O ATOM 1775 CB GLU A 117 12.227 20.891 -22.312 1.00 0.00 C ATOM 1776 CG GLU A 117 10.901 20.287 -22.797 1.00 0.00 C ATOM 1777 CD GLU A 117 10.244 21.169 -23.874 1.00 0.00 C ATOM 1778 OE1 GLU A 117 10.620 21.071 -25.064 1.00 0.00 O ATOM 1779 OE2 GLU A 117 9.327 21.956 -23.544 1.00 0.00 O ATOM 0 H GLU A 117 13.857 22.020 -20.998 1.00 0.00 H new ATOM 0 HA GLU A 117 12.053 19.993 -20.336 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.070 21.947 -22.095 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.952 20.837 -23.124 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.079 19.290 -23.200 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.221 20.173 -21.953 1.00 0.00 H new ATOM 1786 N VAL A 118 12.684 17.864 -21.744 1.00 0.00 N ATOM 1787 CA VAL A 118 13.123 16.576 -22.265 1.00 0.00 C ATOM 1788 C VAL A 118 12.117 16.029 -23.277 1.00 0.00 C ATOM 1789 O VAL A 118 10.983 16.508 -23.355 1.00 0.00 O ATOM 1790 CB VAL A 118 13.348 15.559 -21.125 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.673 15.818 -20.410 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.210 15.518 -20.098 1.00 0.00 C ATOM 0 H VAL A 118 11.672 17.924 -21.634 1.00 0.00 H new ATOM 0 HA VAL A 118 14.075 16.731 -22.772 1.00 0.00 H new ATOM 0 HB VAL A 118 13.373 14.584 -21.611 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.805 15.087 -19.612 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.494 15.730 -21.122 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.667 16.822 -19.985 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.440 14.781 -19.329 1.00 0.00 H new ATOM 0 HG22 VAL A 118 12.100 16.500 -19.638 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.280 15.244 -20.596 1.00 0.00 H new ATOM 1802 N THR A 119 12.516 14.987 -23.998 1.00 0.00 N ATOM 1803 CA THR A 119 11.667 14.198 -24.882 1.00 0.00 C ATOM 1804 C THR A 119 12.028 12.714 -24.701 1.00 0.00 C ATOM 1805 O THR A 119 13.015 12.393 -24.028 1.00 0.00 O ATOM 1806 CB THR A 119 11.831 14.695 -26.335 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.177 15.032 -26.639 1.00 0.00 O ATOM 1808 CG2 THR A 119 11.016 15.964 -26.591 1.00 0.00 C ATOM 0 H THR A 119 13.480 14.655 -23.981 1.00 0.00 H new ATOM 0 HA THR A 119 10.612 14.314 -24.634 1.00 0.00 H new ATOM 0 HB THR A 119 11.488 13.868 -26.956 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.779 14.376 -26.230 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.156 16.284 -27.623 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.960 15.760 -26.414 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.351 16.753 -25.918 1.00 0.00 H new ATOM 1816 N TRP A 120 11.251 11.797 -25.282 1.00 0.00 N ATOM 1817 CA TRP A 120 11.580 10.377 -25.277 1.00 0.00 C ATOM 1818 C TRP A 120 11.145 9.715 -26.575 1.00 0.00 C ATOM 1819 O TRP A 120 10.417 10.309 -27.377 1.00 0.00 O ATOM 1820 CB TRP A 120 10.940 9.643 -24.081 1.00 0.00 C ATOM 1821 CG TRP A 120 9.449 9.462 -24.088 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.529 10.446 -24.006 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.681 8.222 -24.162 1.00 0.00 C ATOM 1824 NE1 TRP A 120 7.259 9.907 -23.959 1.00 0.00 N ATOM 1825 CE2 TRP A 120 7.291 8.534 -24.045 1.00 0.00 C ATOM 1826 CE3 TRP A 120 9.015 6.858 -24.305 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 6.295 7.545 -24.037 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 8.027 5.856 -24.267 1.00 0.00 C ATOM 1829 CH2 TRP A 120 6.669 6.195 -24.136 1.00 0.00 C ATOM 0 H TRP A 120 10.381 12.020 -25.766 1.00 0.00 H new ATOM 0 HA TRP A 120 12.663 10.303 -25.182 1.00 0.00 H new ATOM 0 HB2 TRP A 120 11.397 8.656 -24.010 1.00 0.00 H new ATOM 0 HB3 TRP A 120 11.208 10.184 -23.173 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.754 11.502 -23.981 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.405 10.457 -23.872 1.00 0.00 H new ATOM 0 HE3 TRP A 120 10.048 6.578 -24.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 5.253 7.819 -23.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 8.315 4.818 -24.339 1.00 0.00 H new ATOM 0 HH2 TRP A 120 5.917 5.421 -24.112 1.00 0.00 H new ATOM 1840 N ALA A 121 11.566 8.461 -26.743 1.00 0.00 N ATOM 1841 CA ALA A 121 11.097 7.572 -27.787 1.00 0.00 C ATOM 1842 C ALA A 121 11.060 6.163 -27.201 1.00 0.00 C ATOM 1843 O ALA A 121 11.918 5.800 -26.391 1.00 0.00 O ATOM 1844 CB ALA A 121 12.021 7.631 -29.011 1.00 0.00 C ATOM 0 H ALA A 121 12.263 8.031 -26.135 1.00 0.00 H new ATOM 0 HA ALA A 121 10.105 7.871 -28.125 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.648 6.955 -29.781 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.044 8.649 -29.401 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.028 7.331 -28.721 1.00 0.00 H new ATOM 1850 N ASN A 122 10.061 5.374 -27.594 1.00 0.00 N ATOM 1851 CA ASN A 122 9.783 4.050 -27.033 1.00 0.00 C ATOM 1852 C ASN A 122 10.629 2.958 -27.710 1.00 0.00 C ATOM 1853 O ASN A 122 10.141 1.863 -27.998 1.00 0.00 O ATOM 1854 CB ASN A 122 8.272 3.770 -27.133 1.00 0.00 C ATOM 1855 CG ASN A 122 7.859 2.524 -26.349 1.00 0.00 C ATOM 1856 OD1 ASN A 122 8.405 2.222 -25.290 1.00 0.00 O ATOM 1857 ND2 ASN A 122 6.876 1.782 -26.832 1.00 0.00 N ATOM 0 H ASN A 122 9.406 5.643 -28.329 1.00 0.00 H new ATOM 0 HA ASN A 122 10.069 4.035 -25.981 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.720 4.632 -26.758 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.996 3.645 -28.180 1.00 0.00 H new ATOM 0 HD21 ASN A 122 6.566 0.953 -26.325 1.00 0.00 H new ATOM 0 HD22 ASN A 122 6.428 2.039 -27.711 1.00 0.00 H new ATOM 1864 N ASP A 123 11.883 3.267 -28.046 1.00 0.00 N ATOM 1865 CA ASP A 123 12.815 2.357 -28.712 1.00 0.00 C ATOM 1866 C ASP A 123 14.245 2.796 -28.386 1.00 0.00 C ATOM 1867 O ASP A 123 14.455 3.819 -27.731 1.00 0.00 O ATOM 1868 CB ASP A 123 12.599 2.380 -30.238 1.00 0.00 C ATOM 1869 CG ASP A 123 13.093 1.123 -30.981 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.698 0.220 -30.362 1.00 0.00 O ATOM 1871 OD2 ASP A 123 12.878 1.040 -32.211 1.00 0.00 O ATOM 0 H ASP A 123 12.289 4.183 -27.857 1.00 0.00 H new ATOM 0 HA ASP A 123 12.642 1.341 -28.358 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.535 2.508 -30.438 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.108 3.251 -30.650 1.00 0.00 H new ATOM 1876 N GLY A 124 15.223 2.036 -28.862 1.00 0.00 N ATOM 1877 CA GLY A 124 16.652 2.291 -28.735 1.00 0.00 C ATOM 1878 C GLY A 124 17.407 1.010 -28.374 1.00 0.00 C ATOM 1879 O GLY A 124 16.807 0.027 -27.931 1.00 0.00 O ATOM 0 H GLY A 124 15.029 1.177 -29.376 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.038 2.693 -29.672 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.824 3.047 -27.969 1.00 0.00 H new ATOM 1883 N TYR A 125 18.732 1.050 -28.523 1.00 0.00 N ATOM 1884 CA TYR A 125 19.674 -0.001 -28.160 1.00 0.00 C ATOM 1885 C TYR A 125 20.932 0.711 -27.688 1.00 0.00 C ATOM 1886 O TYR A 125 21.510 0.309 -26.659 1.00 0.00 O ATOM 1887 CB TYR A 125 20.001 -0.902 -29.360 1.00 0.00 C ATOM 1888 CG TYR A 125 18.847 -1.749 -29.864 1.00 0.00 C ATOM 1889 CD1 TYR A 125 18.574 -2.991 -29.262 1.00 0.00 C ATOM 1890 CD2 TYR A 125 18.048 -1.298 -30.934 1.00 0.00 C ATOM 1891 CE1 TYR A 125 17.501 -3.780 -29.714 1.00 0.00 C ATOM 1892 CE2 TYR A 125 16.974 -2.081 -31.393 1.00 0.00 C ATOM 1893 CZ TYR A 125 16.692 -3.325 -30.783 1.00 0.00 C ATOM 1894 OH TYR A 125 15.648 -4.075 -31.237 1.00 0.00 O ATOM 1895 OXT TYR A 125 21.312 1.723 -28.317 1.00 0.00 O ATOM 0 H TYR A 125 19.199 1.864 -28.923 1.00 0.00 H new ATOM 0 HA TYR A 125 19.252 -0.646 -27.389 1.00 0.00 H new ATOM 0 HB2 TYR A 125 20.356 -0.276 -30.178 1.00 0.00 H new ATOM 0 HB3 TYR A 125 20.823 -1.563 -29.085 1.00 0.00 H new ATOM 0 HD1 TYR A 125 19.192 -3.341 -28.448 1.00 0.00 H new ATOM 0 HD2 TYR A 125 18.261 -0.349 -31.403 1.00 0.00 H new ATOM 0 HE1 TYR A 125 17.295 -4.731 -29.246 1.00 0.00 H new ATOM 0 HE2 TYR A 125 16.364 -1.732 -32.213 1.00 0.00 H new ATOM 0 HH TYR A 125 15.204 -3.606 -31.974 1.00 0.00 H new TER 1905 TYR A 125