USER MOD reduce.3.24.130724 H: found=0, std=0, add=1065, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1067 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 96 TYR OH : rot -134:sc= 0.0615 USER MOD Set 1.2: A 119 TYR OH : rot -156:sc= 0.893 USER MOD Set 2.1: A 83 SER OG : rot 146:sc= 1.2 USER MOD Set 2.2: A 84 ASN : amide:sc= -0.355 K(o=0.57,f=-4.5!) USER MOD Set 2.3: A 87 LYS NZ :NH3+ 157:sc= -0.277 (180deg=-0.143) USER MOD Set 3.1: A 8 GLN : amide:sc= -2.06! C(o=-2.1!,f=-5!) USER MOD Set 3.2: A 57 ASN : amide:sc= -0.0639 K(o=-2.1,f=-3.6) USER MOD Set 4.1: A 54 LYS NZ :NH3+ -170:sc= 1.73 (180deg=0.358) USER MOD Set 4.2: A 55 ASN : amide:sc= 0.837 K(o=2.6,f=-10!) USER MOD Set 5.1: A 48 ASN : amide:sc= 0.815 K(o=2,f=-14!) USER MOD Set 5.2: A 62 LYS NZ :NH3+ -132:sc= 1.19 (180deg=-0.0917) USER MOD Set 6.1: A 40 TYR OH : rot 180:sc= 0.625 USER MOD Set 6.2: A 110 THR OG1 : rot 144:sc= 2.27 USER MOD Set 7.1: A 38 SER OG : rot -79:sc= 1.28 USER MOD Set 7.2: A 39 HIS : no HD1:sc= 1.05 K(o=2.3,f=-6.9!) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.01) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0353 F(o=-1.5!,f=-0.035) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.2) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0442 F(o=-2.1!,f=-0.044) USER MOD Single : A 24 ASN : amide:sc= 0.448 K(o=0.45,f=-9.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00724 F(o=-1.1,f=-0.0072) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.0142 USER MOD Single : A 30 SER OG : rot 88:sc= 1.25 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.327 K(o=0.33,f=-1.7!) USER MOD Single : A 36 ASN : amide:sc= -2.38! C(o=-2.4!,f=-6.5!) USER MOD Single : A 42 TYR OH : rot 18:sc= 1.03 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 102:sc= 0.052 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.142 F(o=-0.66,f=-0.14) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -157:sc= -0.704 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 0.937 (180deg=0.861) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.595 USER MOD Single : A 82 THR OG1 : rot 71:sc= 0.854 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 94 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.2) USER MOD Single : A 99 ASN : amide:sc= 0.826 K(o=0.83,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= -2.09! C(o=-2.1!,f=-6!) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.1) USER MOD Single : A 116 LYS NZ :NH3+ -125:sc= 0.824 (180deg=-0.534) USER MOD Single : A 118 TYR OH : rot 31:sc= 1.27 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -111:sc= 0.918 USER MOD Single : A 124 ASN : amide:sc= 0.503 K(o=0.5,f=-4.7!) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 131 SER OG : rot 20:sc= 0.0541 USER MOD Single : A 133 GLN :FLIP amide:sc= -0.0285 F(o=-1.5!,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -7.546 15.643 -15.041 1.00 0.00 N ATOM 2 CA ASP A 7 -7.197 14.239 -15.004 1.00 0.00 C ATOM 3 C ASP A 7 -6.796 13.851 -13.594 1.00 0.00 C ATOM 4 O ASP A 7 -5.668 14.088 -13.158 1.00 0.00 O ATOM 5 CB ASP A 7 -6.077 13.925 -15.995 1.00 0.00 C ATOM 6 CG ASP A 7 -5.865 12.436 -16.178 1.00 0.00 C ATOM 7 OD1 ASP A 7 -6.764 11.649 -15.809 1.00 0.00 O ATOM 8 OD2 ASP A 7 -4.811 12.047 -16.724 1.00 0.00 O ATOM 0 HA ASP A 7 -8.068 13.653 -15.298 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.312 14.376 -16.959 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.150 14.381 -15.647 1.00 0.00 H new ATOM 13 N GLN A 8 -7.748 13.264 -12.893 1.00 0.00 N ATOM 14 CA GLN A 8 -7.597 12.898 -11.495 1.00 0.00 C ATOM 15 C GLN A 8 -6.464 11.888 -11.321 1.00 0.00 C ATOM 16 O GLN A 8 -5.823 11.824 -10.269 1.00 0.00 O ATOM 17 CB GLN A 8 -8.929 12.327 -11.005 1.00 0.00 C ATOM 18 CG GLN A 8 -8.972 11.956 -9.536 1.00 0.00 C ATOM 19 CD GLN A 8 -10.362 11.540 -9.105 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.732 10.372 -9.205 1.00 0.00 O ATOM 21 NE2 GLN A 8 -11.146 12.498 -8.636 1.00 0.00 N ATOM 0 H GLN A 8 -8.660 13.024 -13.282 1.00 0.00 H new ATOM 0 HA GLN A 8 -7.336 13.775 -10.903 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -9.713 13.058 -11.202 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.164 11.441 -11.594 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -8.273 11.142 -9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -8.644 12.805 -8.936 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.799 13.455 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.098 12.279 -8.341 1.00 0.00 H new ATOM 30 N VAL A 9 -6.205 11.129 -12.381 1.00 0.00 N ATOM 31 CA VAL A 9 -5.153 10.126 -12.371 1.00 0.00 C ATOM 32 C VAL A 9 -3.783 10.769 -12.166 1.00 0.00 C ATOM 33 O VAL A 9 -2.943 10.234 -11.441 1.00 0.00 O ATOM 34 CB VAL A 9 -5.150 9.307 -13.684 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.036 8.270 -13.682 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.502 8.642 -13.898 1.00 0.00 C ATOM 0 H VAL A 9 -6.715 11.193 -13.262 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.356 9.453 -11.537 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.965 9.993 -14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.059 7.710 -14.617 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.073 8.771 -13.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.177 7.586 -12.846 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.483 8.070 -14.826 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.715 7.974 -13.064 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.278 9.406 -13.958 1.00 0.00 H new ATOM 46 N VAL A 10 -3.578 11.936 -12.776 1.00 0.00 N ATOM 47 CA VAL A 10 -2.288 12.618 -12.704 1.00 0.00 C ATOM 48 C VAL A 10 -1.914 12.939 -11.260 1.00 0.00 C ATOM 49 O VAL A 10 -0.867 12.512 -10.769 1.00 0.00 O ATOM 50 CB VAL A 10 -2.288 13.921 -13.534 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.971 14.671 -13.380 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.550 13.619 -14.997 1.00 0.00 C ATOM 0 H VAL A 10 -4.286 12.426 -13.323 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.547 11.936 -13.122 1.00 0.00 H new ATOM 0 HB VAL A 10 -3.088 14.558 -13.157 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.000 15.584 -13.975 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.818 14.927 -12.331 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.151 14.040 -13.723 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.546 14.548 -15.567 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.772 12.957 -15.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.521 13.134 -15.100 1.00 0.00 H new ATOM 62 N ILE A 11 -2.792 13.666 -10.582 1.00 0.00 N ATOM 63 CA ILE A 11 -2.535 14.131 -9.226 1.00 0.00 C ATOM 64 C ILE A 11 -2.249 12.960 -8.287 1.00 0.00 C ATOM 65 O ILE A 11 -1.235 12.947 -7.591 1.00 0.00 O ATOM 66 CB ILE A 11 -3.721 14.962 -8.667 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.922 16.257 -9.466 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.510 15.289 -7.193 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.642 16.073 -10.786 1.00 0.00 C ATOM 0 H ILE A 11 -3.698 13.949 -10.955 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.656 14.773 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.619 14.353 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.484 16.963 -8.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.948 16.706 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.355 15.872 -6.825 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.432 14.363 -6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.593 15.866 -7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.741 17.038 -11.284 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.072 15.394 -11.420 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.632 15.655 -10.605 1.00 0.00 H new ATOM 81 N PHE A 12 -3.127 11.966 -8.299 1.00 0.00 N ATOM 82 CA PHE A 12 -3.024 10.852 -7.366 1.00 0.00 C ATOM 83 C PHE A 12 -1.797 9.984 -7.643 1.00 0.00 C ATOM 84 O PHE A 12 -1.119 9.552 -6.711 1.00 0.00 O ATOM 85 CB PHE A 12 -4.295 10.002 -7.395 1.00 0.00 C ATOM 86 CG PHE A 12 -5.446 10.623 -6.655 1.00 0.00 C ATOM 87 CD1 PHE A 12 -6.156 11.677 -7.205 1.00 0.00 C ATOM 88 CD2 PHE A 12 -5.818 10.149 -5.408 1.00 0.00 C ATOM 89 CE1 PHE A 12 -7.216 12.245 -6.526 1.00 0.00 C ATOM 90 CE2 PHE A 12 -6.877 10.713 -4.724 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.576 11.762 -5.283 1.00 0.00 C ATOM 0 H PHE A 12 -3.916 11.908 -8.942 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.907 11.278 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.587 9.834 -8.432 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.080 9.025 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.878 12.059 -8.176 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.273 9.328 -4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.763 13.066 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.157 10.333 -3.753 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.404 12.205 -4.750 1.00 0.00 H new ATOM 101 N LYS A 13 -1.501 9.738 -8.916 1.00 0.00 N ATOM 102 CA LYS A 13 -0.350 8.910 -9.268 1.00 0.00 C ATOM 103 C LYS A 13 0.934 9.593 -8.815 1.00 0.00 C ATOM 104 O LYS A 13 1.859 8.939 -8.342 1.00 0.00 O ATOM 105 CB LYS A 13 -0.307 8.634 -10.779 1.00 0.00 C ATOM 106 CG LYS A 13 0.544 7.428 -11.176 1.00 0.00 C ATOM 107 CD LYS A 13 1.765 7.814 -12.007 1.00 0.00 C ATOM 108 CE LYS A 13 2.945 8.221 -11.135 1.00 0.00 C ATOM 109 NZ LYS A 13 4.158 8.540 -11.936 1.00 0.00 N ATOM 0 H LYS A 13 -2.032 10.094 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.445 7.952 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.325 8.479 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.078 9.518 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.872 6.908 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -0.069 6.727 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.054 6.974 -12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.505 8.638 -12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.669 9.089 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.174 7.414 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.982 8.612 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.321 7.786 -12.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.020 9.445 -12.430 1.00 0.00 H new ATOM 123 N GLN A 14 0.969 10.916 -8.941 1.00 0.00 N ATOM 124 CA GLN A 14 2.134 11.699 -8.539 1.00 0.00 C ATOM 125 C GLN A 14 2.349 11.641 -7.028 1.00 0.00 C ATOM 126 O GLN A 14 3.480 11.740 -6.554 1.00 0.00 O ATOM 127 CB GLN A 14 1.981 13.144 -9.004 1.00 0.00 C ATOM 128 CG GLN A 14 2.147 13.310 -10.506 1.00 0.00 C ATOM 129 CD GLN A 14 1.814 14.710 -10.984 1.00 0.00 C ATOM 130 OE1 GLN A 14 0.887 15.363 -10.304 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 2.379 15.193 -11.965 1.00 0.00 N flip ATOM 0 H GLN A 14 0.201 11.471 -9.320 1.00 0.00 H new ATOM 0 HA GLN A 14 3.014 11.266 -9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.997 13.511 -8.711 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.718 13.763 -8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.174 13.072 -10.782 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.505 12.594 -11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.089 14.654 -12.461 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.137 16.132 -12.282 1.00 0.00 H new ATOM 140 N ILE A 15 1.269 11.475 -6.276 1.00 0.00 N ATOM 141 CA ILE A 15 1.369 11.319 -4.827 1.00 0.00 C ATOM 142 C ILE A 15 2.132 10.037 -4.491 1.00 0.00 C ATOM 143 O ILE A 15 3.103 10.056 -3.733 1.00 0.00 O ATOM 144 CB ILE A 15 -0.023 11.284 -4.152 1.00 0.00 C ATOM 145 CG1 ILE A 15 -0.798 12.574 -4.458 1.00 0.00 C ATOM 146 CG2 ILE A 15 0.118 11.091 -2.645 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.215 12.577 -3.922 1.00 0.00 C ATOM 0 H ILE A 15 0.317 11.445 -6.641 1.00 0.00 H new ATOM 0 HA ILE A 15 1.907 12.185 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.582 10.440 -4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.258 13.421 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.827 12.722 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.871 11.069 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.632 10.151 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.694 11.916 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.699 13.520 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.773 11.752 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.194 12.461 -2.838 1.00 0.00 H new ATOM 159 N PHE A 16 1.699 8.931 -5.091 1.00 0.00 N ATOM 160 CA PHE A 16 2.360 7.640 -4.898 1.00 0.00 C ATOM 161 C PHE A 16 3.760 7.655 -5.501 1.00 0.00 C ATOM 162 O PHE A 16 4.650 6.924 -5.065 1.00 0.00 O ATOM 163 CB PHE A 16 1.537 6.511 -5.529 1.00 0.00 C ATOM 164 CG PHE A 16 0.271 6.184 -4.787 1.00 0.00 C ATOM 165 CD1 PHE A 16 -0.831 7.020 -4.856 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.184 5.031 -4.023 1.00 0.00 C ATOM 167 CE1 PHE A 16 -1.996 6.713 -4.176 1.00 0.00 C ATOM 168 CE2 PHE A 16 -0.977 4.718 -3.342 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.069 5.561 -3.419 1.00 0.00 C ATOM 0 H PHE A 16 0.893 8.901 -5.715 1.00 0.00 H new ATOM 0 HA PHE A 16 2.440 7.462 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.284 6.789 -6.552 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.154 5.614 -5.585 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.780 7.922 -5.448 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.035 4.369 -3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.848 7.374 -4.237 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.031 3.816 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.978 5.319 -2.888 1.00 0.00 H new ATOM 179 N ASP A 17 3.937 8.494 -6.508 1.00 0.00 N ATOM 180 CA ASP A 17 5.220 8.640 -7.186 1.00 0.00 C ATOM 181 C ASP A 17 6.239 9.283 -6.253 1.00 0.00 C ATOM 182 O ASP A 17 7.354 8.785 -6.086 1.00 0.00 O ATOM 183 CB ASP A 17 5.039 9.503 -8.440 1.00 0.00 C ATOM 184 CG ASP A 17 6.257 9.519 -9.337 1.00 0.00 C ATOM 185 OD1 ASP A 17 6.342 8.650 -10.230 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.112 10.415 -9.179 1.00 0.00 O ATOM 0 H ASP A 17 3.200 9.093 -6.880 1.00 0.00 H new ATOM 0 HA ASP A 17 5.586 7.655 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.184 9.134 -9.006 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.805 10.524 -8.139 1.00 0.00 H new ATOM 191 N LYS A 18 5.835 10.375 -5.620 1.00 0.00 N ATOM 192 CA LYS A 18 6.738 11.146 -4.777 1.00 0.00 C ATOM 193 C LYS A 18 6.986 10.468 -3.436 1.00 0.00 C ATOM 194 O LYS A 18 8.073 10.591 -2.874 1.00 0.00 O ATOM 195 CB LYS A 18 6.212 12.573 -4.582 1.00 0.00 C ATOM 196 CG LYS A 18 6.712 13.543 -5.646 1.00 0.00 C ATOM 197 CD LYS A 18 6.441 13.025 -7.049 1.00 0.00 C ATOM 198 CE LYS A 18 7.326 13.700 -8.080 1.00 0.00 C ATOM 199 NZ LYS A 18 7.194 13.066 -9.418 1.00 0.00 N ATOM 0 H LYS A 18 4.887 10.747 -5.674 1.00 0.00 H new ATOM 0 HA LYS A 18 7.698 11.199 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.122 12.558 -4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.513 12.934 -3.599 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.226 14.510 -5.515 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.782 13.704 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.607 11.948 -7.077 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.394 13.193 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.063 14.756 -8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.365 13.651 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.941 13.424 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.286 12.034 -9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.263 13.295 -9.820 1.00 0.00 H new ATOM 213 N VAL A 19 6.003 9.743 -2.921 1.00 0.00 N ATOM 214 CA VAL A 19 6.206 8.995 -1.686 1.00 0.00 C ATOM 215 C VAL A 19 7.129 7.803 -1.944 1.00 0.00 C ATOM 216 O VAL A 19 7.809 7.322 -1.045 1.00 0.00 O ATOM 217 CB VAL A 19 4.875 8.506 -1.063 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.209 7.447 -1.924 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.104 7.982 0.347 1.00 0.00 C ATOM 0 H VAL A 19 5.072 9.656 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 19 6.667 9.675 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 19 4.202 9.362 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.278 7.129 -1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.995 7.861 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.875 6.590 -2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.157 7.643 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.806 7.149 0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.513 8.778 0.969 1.00 0.00 H new ATOM 229 N ARG A 20 7.164 7.356 -3.192 1.00 0.00 N ATOM 230 CA ARG A 20 8.016 6.244 -3.591 1.00 0.00 C ATOM 231 C ARG A 20 9.481 6.673 -3.635 1.00 0.00 C ATOM 232 O ARG A 20 10.384 5.858 -3.463 1.00 0.00 O ATOM 233 CB ARG A 20 7.572 5.734 -4.963 1.00 0.00 C ATOM 234 CG ARG A 20 8.285 4.477 -5.427 1.00 0.00 C ATOM 235 CD ARG A 20 7.676 3.954 -6.720 1.00 0.00 C ATOM 236 NE ARG A 20 6.232 3.765 -6.589 1.00 0.00 N ATOM 237 CZ ARG A 20 5.566 2.724 -7.079 1.00 0.00 C ATOM 238 NH1 ARG A 20 6.194 1.813 -7.812 1.00 0.00 N ATOM 239 NH2 ARG A 20 4.265 2.609 -6.857 1.00 0.00 N ATOM 0 H ARG A 20 6.608 7.750 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 20 7.921 5.444 -2.857 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.500 5.539 -4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.734 6.521 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.343 4.689 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.221 3.711 -4.654 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.881 4.654 -7.530 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.146 3.008 -6.989 1.00 0.00 H new ATOM 0 HE ARG A 20 5.701 4.478 -6.089 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.192 1.910 -8.001 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.679 1.016 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.776 3.318 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.752 1.811 -7.232 1.00 0.00 H new ATOM 253 N ASN A 21 9.709 7.959 -3.864 1.00 0.00 N ATOM 254 CA ASN A 21 11.068 8.492 -3.949 1.00 0.00 C ATOM 255 C ASN A 21 11.497 9.106 -2.622 1.00 0.00 C ATOM 256 O ASN A 21 12.570 8.806 -2.098 1.00 0.00 O ATOM 257 CB ASN A 21 11.178 9.555 -5.053 1.00 0.00 C ATOM 258 CG ASN A 21 11.124 8.991 -6.467 1.00 0.00 C ATOM 259 OD1 ASN A 21 10.351 7.938 -6.670 1.00 0.00 O flip ATOM 260 ND2 ASN A 21 11.765 9.517 -7.374 1.00 0.00 N flip ATOM 0 H ASN A 21 8.974 8.654 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 21 11.727 7.657 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.370 10.276 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.114 10.100 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.351 10.329 -7.180 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.711 9.142 -8.321 1.00 0.00 H new ATOM 267 N ASP A 22 10.644 9.961 -2.081 1.00 0.00 N ATOM 268 CA ASP A 22 10.970 10.739 -0.890 1.00 0.00 C ATOM 269 C ASP A 22 10.681 9.955 0.389 1.00 0.00 C ATOM 270 O ASP A 22 11.265 10.227 1.439 1.00 0.00 O ATOM 271 CB ASP A 22 10.179 12.045 -0.925 1.00 0.00 C ATOM 272 CG ASP A 22 10.407 12.928 0.283 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.514 13.490 0.421 1.00 0.00 O ATOM 274 OD2 ASP A 22 9.464 13.096 1.074 1.00 0.00 O ATOM 0 H ASP A 22 9.710 10.137 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 22 12.038 10.958 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.449 12.599 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.116 11.814 -0.999 1.00 0.00 H new ATOM 279 N LEU A 23 9.778 8.979 0.286 1.00 0.00 N ATOM 280 CA LEU A 23 9.459 8.069 1.392 1.00 0.00 C ATOM 281 C LEU A 23 8.819 8.800 2.573 1.00 0.00 C ATOM 282 O LEU A 23 8.911 8.351 3.715 1.00 0.00 O ATOM 283 CB LEU A 23 10.715 7.316 1.850 1.00 0.00 C ATOM 284 CG LEU A 23 11.355 6.412 0.791 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.608 5.751 1.344 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.366 5.361 0.313 1.00 0.00 C ATOM 0 H LEU A 23 9.246 8.795 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 23 8.729 7.351 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.456 8.044 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.459 6.708 2.717 1.00 0.00 H new ATOM 0 HG LEU A 23 11.636 7.030 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.050 5.112 0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.325 6.518 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.348 5.148 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.841 4.730 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.052 4.747 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.496 5.852 -0.123 1.00 0.00 H new ATOM 298 N ASN A 24 8.147 9.909 2.301 1.00 0.00 N ATOM 299 CA ASN A 24 7.457 10.642 3.354 1.00 0.00 C ATOM 300 C ASN A 24 6.059 10.070 3.555 1.00 0.00 C ATOM 301 O ASN A 24 5.116 10.444 2.857 1.00 0.00 O ATOM 302 CB ASN A 24 7.364 12.135 3.023 1.00 0.00 C ATOM 303 CG ASN A 24 6.881 12.975 4.197 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.175 12.496 5.084 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.243 14.248 4.198 1.00 0.00 N ATOM 0 H ASN A 24 8.064 10.318 1.370 1.00 0.00 H new ATOM 0 HA ASN A 24 8.032 10.533 4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.343 12.493 2.706 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.686 12.273 2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.936 14.865 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 24 7.829 14.612 3.447 1.00 0.00 H new ATOM 312 N TYR A 25 5.936 9.154 4.501 1.00 0.00 N ATOM 313 CA TYR A 25 4.654 8.530 4.790 1.00 0.00 C ATOM 314 C TYR A 25 3.690 9.517 5.435 1.00 0.00 C ATOM 315 O TYR A 25 2.484 9.447 5.204 1.00 0.00 O ATOM 316 CB TYR A 25 4.842 7.306 5.687 1.00 0.00 C ATOM 317 CG TYR A 25 5.412 6.109 4.960 1.00 0.00 C ATOM 318 CD1 TYR A 25 6.783 5.914 4.867 1.00 0.00 C ATOM 319 CD2 TYR A 25 4.572 5.175 4.368 1.00 0.00 C ATOM 320 CE1 TYR A 25 7.304 4.820 4.202 1.00 0.00 C ATOM 321 CE2 TYR A 25 5.084 4.078 3.702 1.00 0.00 C ATOM 322 CZ TYR A 25 6.448 3.905 3.620 1.00 0.00 C ATOM 323 OH TYR A 25 6.959 2.809 2.961 1.00 0.00 O ATOM 0 H TYR A 25 6.707 8.826 5.082 1.00 0.00 H new ATOM 0 HA TYR A 25 4.221 8.207 3.843 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.503 7.568 6.513 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.881 7.033 6.122 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.453 6.628 5.321 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.502 5.308 4.429 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.373 4.681 4.138 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.418 3.360 3.248 1.00 0.00 H new ATOM 0 HH TYR A 25 6.223 2.265 2.611 1.00 0.00 H new ATOM 333 N GLN A 26 4.217 10.449 6.221 1.00 0.00 N ATOM 334 CA GLN A 26 3.379 11.433 6.898 1.00 0.00 C ATOM 335 C GLN A 26 2.635 12.290 5.879 1.00 0.00 C ATOM 336 O GLN A 26 1.422 12.473 5.972 1.00 0.00 O ATOM 337 CB GLN A 26 4.214 12.320 7.817 1.00 0.00 C ATOM 338 CG GLN A 26 3.388 13.339 8.586 1.00 0.00 C ATOM 339 CD GLN A 26 4.216 14.185 9.531 1.00 0.00 C ATOM 340 OE1 GLN A 26 5.301 13.624 10.039 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 3.884 15.341 9.798 1.00 0.00 N flip ATOM 0 H GLN A 26 5.216 10.544 6.405 1.00 0.00 H new ATOM 0 HA GLN A 26 2.652 10.895 7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.753 11.691 8.525 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.962 12.844 7.222 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.876 13.991 7.878 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.618 12.818 9.155 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.040 15.737 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.454 15.902 10.432 1.00 0.00 H new ATOM 350 N TRP A 27 3.371 12.801 4.901 1.00 0.00 N ATOM 351 CA TRP A 27 2.786 13.601 3.834 1.00 0.00 C ATOM 352 C TRP A 27 1.829 12.753 2.997 1.00 0.00 C ATOM 353 O TRP A 27 0.747 13.205 2.624 1.00 0.00 O ATOM 354 CB TRP A 27 3.899 14.196 2.961 1.00 0.00 C ATOM 355 CG TRP A 27 3.402 14.928 1.751 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.828 16.166 1.714 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.449 14.464 0.398 1.00 0.00 C ATOM 358 NE1 TRP A 27 2.510 16.497 0.418 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.881 15.467 -0.408 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.920 13.297 -0.208 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.765 15.332 -1.790 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.805 13.164 -1.577 1.00 0.00 C ATOM 363 CH2 TRP A 27 3.233 14.179 -2.357 1.00 0.00 C ATOM 0 H TRP A 27 4.380 12.674 4.825 1.00 0.00 H new ATOM 0 HA TRP A 27 2.214 14.419 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.495 14.879 3.566 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.563 13.393 2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 27 2.650 16.793 2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 27 2.070 17.367 0.119 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.367 12.512 0.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.321 16.111 -2.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.161 12.264 -2.055 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.161 14.048 -3.427 1.00 0.00 H new ATOM 374 N PHE A 28 2.229 11.513 2.739 1.00 0.00 N ATOM 375 CA PHE A 28 1.410 10.574 1.983 1.00 0.00 C ATOM 376 C PHE A 28 0.052 10.371 2.651 1.00 0.00 C ATOM 377 O PHE A 28 -0.992 10.511 2.011 1.00 0.00 O ATOM 378 CB PHE A 28 2.143 9.236 1.852 1.00 0.00 C ATOM 379 CG PHE A 28 1.385 8.190 1.087 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.040 8.391 -0.240 1.00 0.00 C ATOM 381 CD2 PHE A 28 1.025 6.999 1.696 1.00 0.00 C ATOM 382 CE1 PHE A 28 0.350 7.422 -0.945 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.335 6.028 1.000 1.00 0.00 C ATOM 384 CZ PHE A 28 -0.003 6.239 -0.322 1.00 0.00 C ATOM 0 H PHE A 28 3.124 11.132 3.046 1.00 0.00 H new ATOM 0 HA PHE A 28 1.237 10.988 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.101 9.406 1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.360 8.854 2.850 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.313 9.315 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.288 6.828 2.729 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.088 7.589 -1.979 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.060 5.105 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.543 5.480 -0.869 1.00 0.00 H new ATOM 394 N TYR A 29 0.070 10.059 3.943 1.00 0.00 N ATOM 395 CA TYR A 29 -1.165 9.832 4.683 1.00 0.00 C ATOM 396 C TYR A 29 -1.963 11.123 4.848 1.00 0.00 C ATOM 397 O TYR A 29 -3.181 11.086 5.004 1.00 0.00 O ATOM 398 CB TYR A 29 -0.880 9.208 6.051 1.00 0.00 C ATOM 399 CG TYR A 29 -0.404 7.771 5.974 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.160 6.807 5.318 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.798 7.382 6.546 1.00 0.00 C ATOM 402 CE1 TYR A 29 -0.732 5.497 5.236 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.236 6.072 6.467 1.00 0.00 C ATOM 404 CZ TYR A 29 0.467 5.134 5.811 1.00 0.00 C ATOM 405 OH TYR A 29 0.898 3.829 5.729 1.00 0.00 O ATOM 0 H TYR A 29 0.921 9.958 4.496 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.766 9.133 4.101 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.126 9.805 6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.785 9.250 6.656 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.099 7.088 4.864 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.402 8.114 7.062 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.333 4.760 4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.175 5.786 6.917 1.00 0.00 H new ATOM 0 HH TYR A 29 1.761 3.740 6.184 1.00 0.00 H new ATOM 415 N SER A 30 -1.278 12.261 4.802 1.00 0.00 N ATOM 416 CA SER A 30 -1.948 13.553 4.887 1.00 0.00 C ATOM 417 C SER A 30 -2.822 13.785 3.654 1.00 0.00 C ATOM 418 O SER A 30 -3.967 14.223 3.770 1.00 0.00 O ATOM 419 CB SER A 30 -0.925 14.683 5.035 1.00 0.00 C ATOM 420 OG SER A 30 -0.220 14.574 6.266 1.00 0.00 O ATOM 0 H SER A 30 -0.264 12.315 4.707 1.00 0.00 H new ATOM 0 HA SER A 30 -2.587 13.549 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.220 14.652 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.432 15.646 4.986 1.00 0.00 H new ATOM 0 HG SER A 30 0.564 13.999 6.144 1.00 0.00 H new ATOM 426 N GLU A 31 -2.290 13.468 2.478 1.00 0.00 N ATOM 427 CA GLU A 31 -3.053 13.611 1.247 1.00 0.00 C ATOM 428 C GLU A 31 -4.152 12.563 1.163 1.00 0.00 C ATOM 429 O GLU A 31 -5.214 12.809 0.584 1.00 0.00 O ATOM 430 CB GLU A 31 -2.145 13.539 0.023 1.00 0.00 C ATOM 431 CG GLU A 31 -1.402 14.838 -0.226 1.00 0.00 C ATOM 432 CD GLU A 31 -2.344 16.023 -0.197 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.003 16.292 -1.221 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.458 16.669 0.864 1.00 0.00 O ATOM 0 H GLU A 31 -1.342 13.114 2.353 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.521 14.595 1.261 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.425 12.732 0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.742 13.292 -0.855 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.628 14.967 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.900 14.793 -1.192 1.00 0.00 H new ATOM 441 N LEU A 32 -3.903 11.397 1.745 1.00 0.00 N ATOM 442 CA LEU A 32 -4.933 10.377 1.854 1.00 0.00 C ATOM 443 C LEU A 32 -6.055 10.875 2.753 1.00 0.00 C ATOM 444 O LEU A 32 -7.222 10.675 2.463 1.00 0.00 O ATOM 445 CB LEU A 32 -4.356 9.069 2.402 1.00 0.00 C ATOM 446 CG LEU A 32 -3.326 8.381 1.504 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.840 7.092 2.151 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.912 8.107 0.124 1.00 0.00 C ATOM 0 H LEU A 32 -3.002 11.137 2.146 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.330 10.178 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.893 9.272 3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.178 8.376 2.581 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.473 9.048 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.108 6.613 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.379 7.319 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.685 6.420 2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.163 7.617 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.783 7.459 0.221 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.209 9.048 -0.338 1.00 0.00 H new ATOM 460 N LYS A 33 -5.686 11.566 3.816 1.00 0.00 N ATOM 461 CA LYS A 33 -6.656 12.129 4.749 1.00 0.00 C ATOM 462 C LYS A 33 -7.570 13.145 4.054 1.00 0.00 C ATOM 463 O LYS A 33 -8.730 13.309 4.428 1.00 0.00 O ATOM 464 CB LYS A 33 -5.911 12.790 5.912 1.00 0.00 C ATOM 465 CG LYS A 33 -6.810 13.472 6.928 1.00 0.00 C ATOM 466 CD LYS A 33 -5.988 14.165 8.000 1.00 0.00 C ATOM 467 CE LYS A 33 -6.863 14.925 8.977 1.00 0.00 C ATOM 468 NZ LYS A 33 -6.050 15.624 10.004 1.00 0.00 N ATOM 0 H LYS A 33 -4.714 11.754 4.060 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.287 11.324 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.315 12.033 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.215 13.526 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.447 14.200 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.469 12.736 7.388 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.398 13.425 8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.285 14.853 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.470 15.651 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.551 14.234 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.679 16.134 10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.490 14.928 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.411 16.300 9.540 1.00 0.00 H new ATOM 482 N ARG A 34 -7.044 13.817 3.038 1.00 0.00 N ATOM 483 CA ARG A 34 -7.809 14.841 2.335 1.00 0.00 C ATOM 484 C ARG A 34 -8.468 14.288 1.074 1.00 0.00 C ATOM 485 O ARG A 34 -9.234 14.989 0.415 1.00 0.00 O ATOM 486 CB ARG A 34 -6.915 16.027 1.958 1.00 0.00 C ATOM 487 CG ARG A 34 -6.107 16.590 3.116 1.00 0.00 C ATOM 488 CD ARG A 34 -5.492 17.936 2.766 1.00 0.00 C ATOM 489 NE ARG A 34 -4.759 17.901 1.502 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.989 18.731 0.487 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.902 19.692 0.599 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.301 18.603 -0.638 1.00 0.00 N ATOM 0 H ARG A 34 -6.098 13.674 2.684 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.590 15.176 3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.230 15.715 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.538 16.820 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.749 16.699 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.318 15.888 3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.279 18.688 2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.818 18.244 3.566 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.028 17.199 1.391 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.430 19.796 1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.074 20.325 -0.182 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.597 17.870 -0.725 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.475 19.238 -1.417 1.00 0.00 H new ATOM 506 N HIS A 35 -8.162 13.044 0.717 1.00 0.00 N ATOM 507 CA HIS A 35 -8.703 12.463 -0.512 1.00 0.00 C ATOM 508 C HIS A 35 -9.308 11.082 -0.269 1.00 0.00 C ATOM 509 O HIS A 35 -10.488 10.855 -0.535 1.00 0.00 O ATOM 510 CB HIS A 35 -7.616 12.378 -1.588 1.00 0.00 C ATOM 511 CG HIS A 35 -7.159 13.714 -2.095 1.00 0.00 C ATOM 512 ND1 HIS A 35 -5.953 14.285 -1.745 1.00 0.00 N ATOM 513 CD2 HIS A 35 -7.750 14.585 -2.945 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.824 15.447 -2.360 1.00 0.00 C ATOM 515 NE2 HIS A 35 -6.901 15.651 -3.094 1.00 0.00 N ATOM 0 H HIS A 35 -7.552 12.425 1.251 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.501 13.120 -0.858 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.758 11.841 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.993 11.791 -2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.268 13.874 -1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.713 14.463 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.980 16.116 -2.276 1.00 0.00 H new ATOM 524 N ASN A 36 -8.496 10.167 0.230 1.00 0.00 N ATOM 525 CA ASN A 36 -8.934 8.799 0.476 1.00 0.00 C ATOM 526 C ASN A 36 -9.559 8.679 1.863 1.00 0.00 C ATOM 527 O ASN A 36 -8.873 8.399 2.848 1.00 0.00 O ATOM 528 CB ASN A 36 -7.751 7.829 0.350 1.00 0.00 C ATOM 529 CG ASN A 36 -8.160 6.376 0.530 1.00 0.00 C ATOM 530 OD1 ASN A 36 -8.490 5.691 -0.432 1.00 0.00 O ATOM 531 ND2 ASN A 36 -8.142 5.900 1.765 1.00 0.00 N ATOM 0 H ASN A 36 -7.522 10.346 0.475 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.685 8.540 -0.271 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.288 7.953 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.997 8.084 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.409 4.932 1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.861 6.502 2.539 1.00 0.00 H new ATOM 538 N VAL A 37 -10.855 8.922 1.933 1.00 0.00 N ATOM 539 CA VAL A 37 -11.592 8.813 3.184 1.00 0.00 C ATOM 540 C VAL A 37 -11.884 7.349 3.499 1.00 0.00 C ATOM 541 O VAL A 37 -11.973 6.952 4.663 1.00 0.00 O ATOM 542 CB VAL A 37 -12.919 9.606 3.117 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.640 9.586 4.459 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.664 11.038 2.668 1.00 0.00 C ATOM 0 H VAL A 37 -11.425 9.198 1.133 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.974 9.237 3.976 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.563 9.122 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.569 10.151 4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.864 8.556 4.736 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.004 10.037 5.221 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.609 11.580 2.627 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.995 11.528 3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.205 11.033 1.679 1.00 0.00 H new ATOM 554 N SER A 38 -12.032 6.546 2.456 1.00 0.00 N ATOM 555 CA SER A 38 -12.313 5.133 2.627 1.00 0.00 C ATOM 556 C SER A 38 -11.026 4.307 2.580 1.00 0.00 C ATOM 557 O SER A 38 -10.330 4.178 3.589 1.00 0.00 O ATOM 558 CB SER A 38 -13.314 4.656 1.567 1.00 0.00 C ATOM 559 OG SER A 38 -13.727 3.320 1.806 1.00 0.00 O ATOM 0 H SER A 38 -11.962 6.850 1.485 1.00 0.00 H new ATOM 0 HA SER A 38 -12.761 4.989 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.184 5.312 1.565 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.860 4.726 0.579 1.00 0.00 H new ATOM 0 HG SER A 38 -13.033 2.702 1.495 1.00 0.00 H new ATOM 565 N HIS A 39 -10.684 3.776 1.406 1.00 0.00 N ATOM 566 CA HIS A 39 -9.549 2.865 1.291 1.00 0.00 C ATOM 567 C HIS A 39 -9.118 2.695 -0.160 1.00 0.00 C ATOM 568 O HIS A 39 -9.955 2.635 -1.061 1.00 0.00 O ATOM 569 CB HIS A 39 -9.896 1.494 1.893 1.00 0.00 C ATOM 570 CG HIS A 39 -10.976 0.744 1.169 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.312 1.070 1.248 1.00 0.00 N ATOM 572 CD2 HIS A 39 -10.905 -0.336 0.359 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.014 0.220 0.523 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.186 -0.645 -0.028 1.00 0.00 N ATOM 0 H HIS A 39 -11.172 3.960 0.530 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.719 3.302 1.846 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.995 0.881 1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.203 1.635 2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.006 -0.860 0.069 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.087 0.231 0.401 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.452 -1.416 -0.640 1.00 0.00 H new ATOM 583 N TYR A 40 -7.814 2.610 -0.381 1.00 0.00 N ATOM 584 CA TYR A 40 -7.298 2.350 -1.714 1.00 0.00 C ATOM 585 C TYR A 40 -6.763 0.927 -1.785 1.00 0.00 C ATOM 586 O TYR A 40 -6.153 0.430 -0.830 1.00 0.00 O ATOM 587 CB TYR A 40 -6.217 3.368 -2.121 1.00 0.00 C ATOM 588 CG TYR A 40 -4.911 3.270 -1.360 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.904 2.407 -1.778 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.682 4.048 -0.234 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.709 2.319 -1.092 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.490 3.968 0.454 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.507 3.101 0.024 1.00 0.00 C ATOM 594 OH TYR A 40 -1.323 3.008 0.720 1.00 0.00 O ATOM 0 H TYR A 40 -7.100 2.716 0.340 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.117 2.461 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.008 3.245 -3.184 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.620 4.372 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.059 1.795 -2.654 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.449 4.727 0.109 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.938 1.642 -1.428 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.326 4.582 1.327 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.341 3.627 1.480 1.00 0.00 H new ATOM 604 N ILE A 41 -7.029 0.265 -2.897 1.00 0.00 N ATOM 605 CA ILE A 41 -6.578 -1.097 -3.109 1.00 0.00 C ATOM 606 C ILE A 41 -5.352 -1.108 -4.012 1.00 0.00 C ATOM 607 O ILE A 41 -5.443 -0.793 -5.199 1.00 0.00 O ATOM 608 CB ILE A 41 -7.684 -1.960 -3.748 1.00 0.00 C ATOM 609 CG1 ILE A 41 -8.973 -1.872 -2.927 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.222 -3.406 -3.866 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.145 -2.617 -3.537 1.00 0.00 C ATOM 0 H ILE A 41 -7.561 0.655 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.326 -1.517 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.889 -1.579 -4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.784 -2.268 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.245 -0.823 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.012 -4.005 -4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.329 -3.453 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.993 -3.797 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.020 -2.506 -2.896 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.363 -2.207 -4.523 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.895 -3.674 -3.631 1.00 0.00 H new ATOM 623 N TYR A 42 -4.215 -1.456 -3.441 1.00 0.00 N ATOM 624 CA TYR A 42 -2.967 -1.505 -4.178 1.00 0.00 C ATOM 625 C TYR A 42 -2.628 -2.951 -4.527 1.00 0.00 C ATOM 626 O TYR A 42 -2.531 -3.809 -3.648 1.00 0.00 O ATOM 627 CB TYR A 42 -1.842 -0.880 -3.343 1.00 0.00 C ATOM 628 CG TYR A 42 -0.596 -0.559 -4.136 1.00 0.00 C ATOM 629 CD1 TYR A 42 0.308 -1.552 -4.487 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.331 0.740 -4.543 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.441 -1.258 -5.220 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.797 1.043 -5.279 1.00 0.00 C ATOM 633 CZ TYR A 42 1.679 0.040 -5.615 1.00 0.00 C ATOM 634 OH TYR A 42 2.804 0.336 -6.349 1.00 0.00 O ATOM 0 H TYR A 42 -4.130 -1.712 -2.457 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.074 -0.937 -5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.212 0.035 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.580 -1.563 -2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.122 -2.571 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.020 1.529 -4.279 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.137 -2.041 -5.482 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.987 2.060 -5.589 1.00 0.00 H new ATOM 0 HH TYR A 42 3.164 -0.486 -6.742 1.00 0.00 H new ATOM 644 N TYR A 43 -2.476 -3.224 -5.807 1.00 0.00 N ATOM 645 CA TYR A 43 -2.105 -4.555 -6.258 1.00 0.00 C ATOM 646 C TYR A 43 -0.596 -4.621 -6.460 1.00 0.00 C ATOM 647 O TYR A 43 -0.063 -3.958 -7.354 1.00 0.00 O ATOM 648 CB TYR A 43 -2.821 -4.900 -7.567 1.00 0.00 C ATOM 649 CG TYR A 43 -4.333 -4.811 -7.493 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.983 -3.594 -7.660 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.109 -5.940 -7.265 1.00 0.00 C ATOM 652 CE1 TYR A 43 -6.360 -3.505 -7.604 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.489 -5.858 -7.208 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.109 -4.639 -7.377 1.00 0.00 C ATOM 655 OH TYR A 43 -8.483 -4.553 -7.329 1.00 0.00 O ATOM 0 H TYR A 43 -2.603 -2.543 -6.556 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.404 -5.279 -5.500 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.467 -4.228 -8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.542 -5.911 -7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.401 -2.702 -7.837 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.628 -6.897 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.848 -2.551 -7.738 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.078 -6.746 -7.032 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.861 -5.442 -7.162 1.00 0.00 H new ATOM 665 N LEU A 44 0.090 -5.394 -5.623 1.00 0.00 N ATOM 666 CA LEU A 44 1.540 -5.516 -5.730 1.00 0.00 C ATOM 667 C LEU A 44 1.930 -6.158 -7.054 1.00 0.00 C ATOM 668 O LEU A 44 1.173 -6.955 -7.609 1.00 0.00 O ATOM 669 CB LEU A 44 2.136 -6.316 -4.562 1.00 0.00 C ATOM 670 CG LEU A 44 2.296 -5.546 -3.246 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.972 -5.443 -2.506 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.349 -6.203 -2.367 1.00 0.00 C ATOM 0 H LEU A 44 -0.330 -5.940 -4.871 1.00 0.00 H new ATOM 0 HA LEU A 44 1.951 -4.507 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.503 -7.185 -4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.114 -6.692 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 44 2.626 -4.535 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.116 -4.892 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.247 -4.920 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.602 -6.443 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.448 -5.642 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.049 -7.227 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.305 -6.212 -2.890 1.00 0.00 H new ATOM 684 N ALA A 45 3.107 -5.776 -7.554 1.00 0.00 N ATOM 685 CA ALA A 45 3.630 -6.239 -8.843 1.00 0.00 C ATOM 686 C ALA A 45 2.879 -5.618 -10.014 1.00 0.00 C ATOM 687 O ALA A 45 3.489 -5.021 -10.898 1.00 0.00 O ATOM 688 CB ALA A 45 3.629 -7.761 -8.945 1.00 0.00 C ATOM 0 H ALA A 45 3.731 -5.130 -7.071 1.00 0.00 H new ATOM 0 HA ALA A 45 4.666 -5.905 -8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.024 -8.061 -9.916 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.252 -8.179 -8.155 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.610 -8.132 -8.838 1.00 0.00 H new ATOM 694 N THR A 46 1.560 -5.746 -10.009 1.00 0.00 N ATOM 695 CA THR A 46 0.726 -5.187 -11.060 1.00 0.00 C ATOM 696 C THR A 46 0.779 -3.657 -11.040 1.00 0.00 C ATOM 697 O THR A 46 0.608 -3.003 -12.075 1.00 0.00 O ATOM 698 CB THR A 46 -0.731 -5.666 -10.897 1.00 0.00 C ATOM 699 OG1 THR A 46 -0.749 -7.083 -10.675 1.00 0.00 O ATOM 700 CG2 THR A 46 -1.554 -5.337 -12.131 1.00 0.00 C ATOM 0 H THR A 46 1.042 -6.237 -9.281 1.00 0.00 H new ATOM 0 HA THR A 46 1.109 -5.534 -12.020 1.00 0.00 H new ATOM 0 HB THR A 46 -1.168 -5.150 -10.042 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.887 -7.263 -9.722 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.577 -5.686 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.557 -4.259 -12.290 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.119 -5.831 -13.000 1.00 0.00 H new ATOM 708 N GLU A 47 1.010 -3.103 -9.848 1.00 0.00 N ATOM 709 CA GLU A 47 1.183 -1.661 -9.656 1.00 0.00 C ATOM 710 C GLU A 47 -0.116 -0.896 -9.887 1.00 0.00 C ATOM 711 O GLU A 47 -0.106 0.330 -9.991 1.00 0.00 O ATOM 712 CB GLU A 47 2.291 -1.109 -10.562 1.00 0.00 C ATOM 713 CG GLU A 47 3.679 -1.618 -10.205 1.00 0.00 C ATOM 714 CD GLU A 47 4.109 -1.204 -8.811 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.577 -1.760 -7.832 1.00 0.00 O ATOM 716 OE2 GLU A 47 4.982 -0.323 -8.686 1.00 0.00 O ATOM 0 H GLU A 47 1.083 -3.643 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 47 1.478 -1.515 -8.617 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.070 -1.375 -11.596 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.287 -0.020 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.694 -2.705 -10.278 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.399 -1.240 -10.931 1.00 0.00 H new ATOM 723 N ASN A 48 -1.231 -1.612 -9.952 1.00 0.00 N ATOM 724 CA ASN A 48 -2.526 -0.969 -10.119 1.00 0.00 C ATOM 725 C ASN A 48 -3.066 -0.515 -8.777 1.00 0.00 C ATOM 726 O ASN A 48 -3.002 -1.244 -7.786 1.00 0.00 O ATOM 727 CB ASN A 48 -3.541 -1.892 -10.800 1.00 0.00 C ATOM 728 CG ASN A 48 -3.292 -2.034 -12.288 1.00 0.00 C ATOM 729 OD1 ASN A 48 -2.668 -1.174 -12.903 1.00 0.00 O ATOM 730 ND2 ASN A 48 -3.803 -3.102 -12.880 1.00 0.00 N ATOM 0 H ASN A 48 -1.265 -2.630 -9.892 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.376 -0.103 -10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.502 -2.876 -10.333 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.546 -1.502 -10.639 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.685 -3.234 -13.885 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.315 -3.793 -12.332 1.00 0.00 H new ATOM 737 N VAL A 49 -3.583 0.700 -8.748 1.00 0.00 N ATOM 738 CA VAL A 49 -4.132 1.267 -7.531 1.00 0.00 C ATOM 739 C VAL A 49 -5.600 1.612 -7.733 1.00 0.00 C ATOM 740 O VAL A 49 -5.944 2.362 -8.640 1.00 0.00 O ATOM 741 CB VAL A 49 -3.375 2.544 -7.104 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.728 2.926 -5.676 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.872 2.370 -7.260 1.00 0.00 C ATOM 0 H VAL A 49 -3.634 1.316 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.023 0.519 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.687 3.354 -7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.184 3.828 -5.396 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.800 3.111 -5.603 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.454 2.113 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.366 3.285 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.535 1.541 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.637 2.159 -8.303 1.00 0.00 H new ATOM 753 N HIS A 50 -6.459 1.039 -6.906 1.00 0.00 N ATOM 754 CA HIS A 50 -7.886 1.335 -6.955 1.00 0.00 C ATOM 755 C HIS A 50 -8.297 2.133 -5.727 1.00 0.00 C ATOM 756 O HIS A 50 -8.601 1.566 -4.678 1.00 0.00 O ATOM 757 CB HIS A 50 -8.713 0.046 -7.053 1.00 0.00 C ATOM 758 CG HIS A 50 -8.697 -0.590 -8.410 1.00 0.00 C ATOM 759 ND1 HIS A 50 -7.675 -0.858 -9.259 1.00 0.00 N flip ATOM 760 CD2 HIS A 50 -9.837 -1.042 -9.036 1.00 0.00 C flip ATOM 761 CE1 HIS A 50 -8.216 -1.460 -10.364 1.00 0.00 C flip ATOM 762 NE2 HIS A 50 -9.521 -1.560 -10.206 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.194 0.363 -6.189 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.081 1.930 -7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.336 -0.671 -6.323 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.745 0.267 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.836 -0.981 -8.631 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.662 -1.799 -11.227 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.174 -1.968 -10.875 1.00 0.00 H new ATOM 771 N ILE A 51 -8.280 3.449 -5.853 1.00 0.00 N ATOM 772 CA ILE A 51 -8.560 4.330 -4.729 1.00 0.00 C ATOM 773 C ILE A 51 -10.037 4.678 -4.648 1.00 0.00 C ATOM 774 O ILE A 51 -10.528 5.510 -5.411 1.00 0.00 O ATOM 775 CB ILE A 51 -7.756 5.637 -4.841 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.274 5.324 -5.023 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.978 6.511 -3.612 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.440 6.545 -5.306 1.00 0.00 C ATOM 0 H ILE A 51 -8.074 3.934 -6.726 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.267 3.791 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 51 -8.104 6.190 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.899 4.837 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.157 4.614 -5.842 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.401 7.430 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.037 6.755 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.655 5.974 -2.720 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.397 6.253 -5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.790 7.021 -6.222 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.528 7.246 -4.476 1.00 0.00 H new ATOM 790 N VAL A 52 -10.748 4.037 -3.738 1.00 0.00 N ATOM 791 CA VAL A 52 -12.132 4.385 -3.499 1.00 0.00 C ATOM 792 C VAL A 52 -12.189 5.506 -2.472 1.00 0.00 C ATOM 793 O VAL A 52 -11.979 5.273 -1.281 1.00 0.00 O ATOM 794 CB VAL A 52 -12.967 3.186 -3.002 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.445 3.549 -2.963 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.737 1.966 -3.879 1.00 0.00 C ATOM 0 H VAL A 52 -10.391 3.278 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.563 4.705 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.644 2.940 -1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -15.021 2.693 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.595 4.391 -2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.779 3.823 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.336 1.134 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.028 2.195 -4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.682 1.693 -3.853 1.00 0.00 H new ATOM 806 N LEU A 53 -12.444 6.720 -2.953 1.00 0.00 N ATOM 807 CA LEU A 53 -12.447 7.915 -2.108 1.00 0.00 C ATOM 808 C LEU A 53 -13.335 7.732 -0.890 1.00 0.00 C ATOM 809 O LEU A 53 -12.900 7.893 0.246 1.00 0.00 O ATOM 810 CB LEU A 53 -12.943 9.112 -2.912 1.00 0.00 C ATOM 811 CG LEU A 53 -12.155 9.413 -4.182 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.786 10.581 -4.919 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.696 9.700 -3.852 1.00 0.00 C ATOM 0 H LEU A 53 -12.654 6.905 -3.934 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.426 8.086 -1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.985 8.941 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.920 9.994 -2.272 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.184 8.538 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.217 10.790 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.813 10.331 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.781 11.462 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.150 9.912 -4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.636 10.562 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.256 8.832 -3.361 1.00 0.00 H new ATOM 825 N LYS A 54 -14.581 7.401 -1.147 1.00 0.00 N ATOM 826 CA LYS A 54 -15.558 7.158 -0.101 1.00 0.00 C ATOM 827 C LYS A 54 -16.546 6.122 -0.607 1.00 0.00 C ATOM 828 O LYS A 54 -16.627 5.009 -0.089 1.00 0.00 O ATOM 829 CB LYS A 54 -16.262 8.474 0.269 1.00 0.00 C ATOM 830 CG LYS A 54 -17.475 8.313 1.175 1.00 0.00 C ATOM 831 CD LYS A 54 -18.031 9.664 1.618 1.00 0.00 C ATOM 832 CE LYS A 54 -18.361 10.573 0.437 1.00 0.00 C ATOM 833 NZ LYS A 54 -19.446 10.025 -0.423 1.00 0.00 N ATOM 0 H LYS A 54 -14.950 7.291 -2.092 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.075 6.780 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.543 9.129 0.760 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.574 8.974 -0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.250 7.755 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.199 7.727 2.052 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.930 9.506 2.214 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.305 10.159 2.262 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -18.658 11.553 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -17.464 10.720 -0.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.515 10.588 -1.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -19.231 9.037 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -20.350 10.068 0.089 1.00 0.00 H new ATOM 847 N ASN A 55 -17.272 6.505 -1.643 1.00 0.00 N ATOM 848 CA ASN A 55 -18.154 5.591 -2.364 1.00 0.00 C ATOM 849 C ASN A 55 -18.593 6.254 -3.662 1.00 0.00 C ATOM 850 O ASN A 55 -19.564 5.851 -4.304 1.00 0.00 O ATOM 851 CB ASN A 55 -19.376 5.215 -1.513 1.00 0.00 C ATOM 852 CG ASN A 55 -20.319 6.379 -1.262 1.00 0.00 C ATOM 853 OD1 ASN A 55 -19.910 7.537 -1.222 1.00 0.00 O ATOM 854 ND2 ASN A 55 -21.588 6.068 -1.066 1.00 0.00 N ATOM 0 H ASN A 55 -17.270 7.456 -2.011 1.00 0.00 H new ATOM 0 HA ASN A 55 -17.613 4.671 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.923 4.415 -2.011 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.035 4.821 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -22.269 6.802 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -21.887 5.094 -1.108 1.00 0.00 H new ATOM 861 N ASP A 56 -17.825 7.257 -4.053 1.00 0.00 N ATOM 862 CA ASP A 56 -18.180 8.130 -5.151 1.00 0.00 C ATOM 863 C ASP A 56 -17.472 7.683 -6.412 1.00 0.00 C ATOM 864 O ASP A 56 -18.075 7.097 -7.308 1.00 0.00 O ATOM 865 CB ASP A 56 -17.784 9.573 -4.815 1.00 0.00 C ATOM 866 CG ASP A 56 -18.134 9.958 -3.390 1.00 0.00 C ATOM 867 OD1 ASP A 56 -17.466 9.457 -2.458 1.00 0.00 O ATOM 868 OD2 ASP A 56 -19.077 10.755 -3.194 1.00 0.00 O ATOM 0 H ASP A 56 -16.934 7.487 -3.613 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.257 8.083 -5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.712 9.696 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.285 10.253 -5.504 1.00 0.00 H new ATOM 873 N ASN A 57 -16.176 7.938 -6.460 1.00 0.00 N ATOM 874 CA ASN A 57 -15.371 7.565 -7.606 1.00 0.00 C ATOM 875 C ASN A 57 -14.143 6.793 -7.151 1.00 0.00 C ATOM 876 O ASN A 57 -13.692 6.937 -6.008 1.00 0.00 O ATOM 877 CB ASN A 57 -14.950 8.813 -8.388 1.00 0.00 C ATOM 878 CG ASN A 57 -14.321 8.482 -9.732 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.685 7.496 -10.372 1.00 0.00 O ATOM 880 ND2 ASN A 57 -13.377 9.300 -10.169 1.00 0.00 N ATOM 0 H ASN A 57 -15.659 8.404 -5.715 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.966 6.928 -8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.822 9.448 -8.547 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.241 9.388 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.924 9.123 -11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.103 10.107 -9.609 1.00 0.00 H new ATOM 887 N THR A 58 -13.620 5.967 -8.037 1.00 0.00 N ATOM 888 CA THR A 58 -12.435 5.190 -7.748 1.00 0.00 C ATOM 889 C THR A 58 -11.295 5.598 -8.675 1.00 0.00 C ATOM 890 O THR A 58 -11.407 5.496 -9.898 1.00 0.00 O ATOM 891 CB THR A 58 -12.705 3.684 -7.900 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.851 3.310 -7.118 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.498 2.872 -7.454 1.00 0.00 C ATOM 0 H THR A 58 -14.003 5.818 -8.970 1.00 0.00 H new ATOM 0 HA THR A 58 -12.153 5.389 -6.714 1.00 0.00 H new ATOM 0 HB THR A 58 -12.898 3.475 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.018 2.350 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.711 1.809 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.635 3.138 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.282 3.086 -6.407 1.00 0.00 H new ATOM 901 N VAL A 59 -10.211 6.071 -8.086 1.00 0.00 N ATOM 902 CA VAL A 59 -9.049 6.494 -8.844 1.00 0.00 C ATOM 903 C VAL A 59 -8.201 5.281 -9.201 1.00 0.00 C ATOM 904 O VAL A 59 -7.669 4.611 -8.314 1.00 0.00 O ATOM 905 CB VAL A 59 -8.188 7.494 -8.047 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.210 8.207 -8.967 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.058 8.496 -7.303 1.00 0.00 C ATOM 0 H VAL A 59 -10.112 6.172 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.402 6.988 -9.749 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.618 6.933 -7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.611 8.909 -8.387 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.555 7.475 -9.440 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.762 8.749 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.424 9.189 -6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.665 9.052 -8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.710 7.967 -6.608 1.00 0.00 H new ATOM 917 N LEU A 60 -8.099 4.983 -10.487 1.00 0.00 N ATOM 918 CA LEU A 60 -7.310 3.848 -10.938 1.00 0.00 C ATOM 919 C LEU A 60 -5.957 4.336 -11.444 1.00 0.00 C ATOM 920 O LEU A 60 -5.878 5.046 -12.448 1.00 0.00 O ATOM 921 CB LEU A 60 -8.063 3.076 -12.032 1.00 0.00 C ATOM 922 CG LEU A 60 -7.607 1.627 -12.264 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.639 0.880 -13.090 1.00 0.00 C ATOM 924 CD2 LEU A 60 -6.252 1.569 -12.958 1.00 0.00 C ATOM 0 H LEU A 60 -8.551 5.510 -11.234 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.144 3.167 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.123 3.067 -11.779 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.963 3.623 -12.970 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.507 1.152 -11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.305 -0.146 -13.248 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.593 0.874 -12.562 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.761 1.375 -14.054 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.963 0.528 -13.105 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.317 2.068 -13.925 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.506 2.069 -12.341 1.00 0.00 H new ATOM 936 N LEU A 61 -4.904 3.967 -10.731 1.00 0.00 N ATOM 937 CA LEU A 61 -3.554 4.380 -11.088 1.00 0.00 C ATOM 938 C LEU A 61 -2.699 3.169 -11.419 1.00 0.00 C ATOM 939 O LEU A 61 -3.060 2.037 -11.099 1.00 0.00 O ATOM 940 CB LEU A 61 -2.896 5.127 -9.927 1.00 0.00 C ATOM 941 CG LEU A 61 -3.755 6.190 -9.253 1.00 0.00 C ATOM 942 CD1 LEU A 61 -3.085 6.665 -7.978 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.992 7.358 -10.194 1.00 0.00 C ATOM 0 H LEU A 61 -4.958 3.380 -9.899 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.627 5.034 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.595 4.398 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.985 5.601 -10.294 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.721 5.752 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.705 7.425 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.958 5.823 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.110 7.090 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.607 8.107 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.036 7.801 -10.473 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.504 7.006 -11.090 1.00 0.00 H new ATOM 955 N LYS A 62 -1.568 3.421 -12.055 1.00 0.00 N ATOM 956 CA LYS A 62 -0.548 2.406 -12.241 1.00 0.00 C ATOM 957 C LYS A 62 0.797 2.996 -11.839 1.00 0.00 C ATOM 958 O LYS A 62 1.272 3.941 -12.467 1.00 0.00 O ATOM 959 CB LYS A 62 -0.513 1.913 -13.694 1.00 0.00 C ATOM 960 CG LYS A 62 0.432 0.739 -13.919 1.00 0.00 C ATOM 961 CD LYS A 62 0.443 0.289 -15.373 1.00 0.00 C ATOM 962 CE LYS A 62 -0.902 -0.276 -15.812 1.00 0.00 C ATOM 963 NZ LYS A 62 -1.250 -1.535 -15.102 1.00 0.00 N ATOM 0 H LYS A 62 -1.333 4.329 -12.454 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.777 1.543 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.519 1.621 -13.994 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.215 2.738 -14.341 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.441 1.023 -13.619 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.133 -0.095 -13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.706 1.133 -16.011 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.215 -0.468 -15.511 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.680 0.466 -15.632 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.881 -0.462 -16.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.562 -2.248 -15.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.415 -1.889 -14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.017 -1.351 -14.424 1.00 0.00 H new ATOM 1039 N ILE A 67 6.537 -4.700 -11.174 1.00 0.00 N ATOM 1040 CA ILE A 67 7.731 -4.794 -10.361 1.00 0.00 C ATOM 1041 C ILE A 67 7.572 -5.903 -9.331 1.00 0.00 C ATOM 1042 O ILE A 67 6.454 -6.212 -8.931 1.00 0.00 O ATOM 1043 CB ILE A 67 8.014 -3.440 -9.673 1.00 0.00 C ATOM 1044 CG1 ILE A 67 9.457 -3.367 -9.175 1.00 0.00 C ATOM 1045 CG2 ILE A 67 7.042 -3.204 -8.524 1.00 0.00 C ATOM 1046 CD1 ILE A 67 9.907 -1.956 -8.886 1.00 0.00 C ATOM 0 HA ILE A 67 8.581 -5.036 -10.999 1.00 0.00 H new ATOM 0 HB ILE A 67 7.870 -2.654 -10.414 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.555 -3.967 -8.270 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.117 -3.808 -9.922 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.260 -2.245 -8.054 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.021 -3.197 -8.906 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.148 -4.001 -7.788 1.00 0.00 H new ATOM 0 HD11 ILE A 67 10.939 -1.968 -8.536 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.839 -1.359 -9.795 1.00 0.00 H new ATOM 0 HD13 ILE A 67 9.268 -1.521 -8.118 1.00 0.00 H new ATOM 1058 N VAL A 68 8.686 -6.510 -8.928 1.00 0.00 N ATOM 1059 CA VAL A 68 8.673 -7.612 -7.966 1.00 0.00 C ATOM 1060 C VAL A 68 8.133 -8.889 -8.622 1.00 0.00 C ATOM 1061 O VAL A 68 7.394 -8.827 -9.606 1.00 0.00 O ATOM 1062 CB VAL A 68 7.840 -7.258 -6.708 1.00 0.00 C ATOM 1063 CG1 VAL A 68 7.893 -8.372 -5.673 1.00 0.00 C ATOM 1064 CG2 VAL A 68 8.319 -5.951 -6.091 1.00 0.00 C ATOM 0 H VAL A 68 9.618 -6.255 -9.256 1.00 0.00 H new ATOM 0 HA VAL A 68 9.701 -7.786 -7.647 1.00 0.00 H new ATOM 0 HB VAL A 68 6.805 -7.139 -7.028 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.298 -8.090 -4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.493 -9.289 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.926 -8.536 -5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.719 -5.723 -5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.366 -6.047 -5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.215 -5.146 -6.818 1.00 0.00 H new ATOM 1074 N SER A 69 8.529 -10.039 -8.102 1.00 0.00 N ATOM 1075 CA SER A 69 8.078 -11.308 -8.646 1.00 0.00 C ATOM 1076 C SER A 69 6.845 -11.815 -7.899 1.00 0.00 C ATOM 1077 O SER A 69 5.978 -12.451 -8.495 1.00 0.00 O ATOM 1078 CB SER A 69 9.201 -12.342 -8.560 1.00 0.00 C ATOM 1079 OG SER A 69 8.835 -13.565 -9.179 1.00 0.00 O ATOM 0 H SER A 69 9.161 -10.119 -7.305 1.00 0.00 H new ATOM 0 HA SER A 69 7.807 -11.155 -9.691 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.098 -11.946 -9.037 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.450 -12.523 -7.514 1.00 0.00 H new ATOM 0 HG SER A 69 9.576 -14.203 -9.107 1.00 0.00 H new ATOM 1085 N VAL A 70 6.777 -11.507 -6.600 1.00 0.00 N ATOM 1086 CA VAL A 70 5.717 -12.003 -5.719 1.00 0.00 C ATOM 1087 C VAL A 70 5.869 -13.507 -5.474 1.00 0.00 C ATOM 1088 O VAL A 70 6.117 -14.282 -6.394 1.00 0.00 O ATOM 1089 CB VAL A 70 4.309 -11.684 -6.274 1.00 0.00 C ATOM 1090 CG1 VAL A 70 3.216 -12.305 -5.415 1.00 0.00 C ATOM 1091 CG2 VAL A 70 4.109 -10.176 -6.374 1.00 0.00 C ATOM 0 H VAL A 70 7.455 -10.907 -6.131 1.00 0.00 H new ATOM 0 HA VAL A 70 5.821 -11.483 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 70 4.238 -12.120 -7.270 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.240 -12.060 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.341 -13.388 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.283 -11.912 -4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.114 -9.966 -6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.211 -9.729 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.859 -9.753 -7.042 1.00 0.00 H new ATOM 1101 N LYS A 71 5.744 -13.911 -4.219 1.00 0.00 N ATOM 1102 CA LYS A 71 5.942 -15.300 -3.846 1.00 0.00 C ATOM 1103 C LYS A 71 4.842 -15.747 -2.890 1.00 0.00 C ATOM 1104 O LYS A 71 4.525 -15.046 -1.935 1.00 0.00 O ATOM 1105 CB LYS A 71 7.318 -15.467 -3.199 1.00 0.00 C ATOM 1106 CG LYS A 71 7.736 -16.912 -2.995 1.00 0.00 C ATOM 1107 CD LYS A 71 9.080 -16.993 -2.296 1.00 0.00 C ATOM 1108 CE LYS A 71 9.525 -18.430 -2.114 1.00 0.00 C ATOM 1109 NZ LYS A 71 10.698 -18.531 -1.208 1.00 0.00 N ATOM 0 H LYS A 71 5.506 -13.295 -3.442 1.00 0.00 H new ATOM 0 HA LYS A 71 5.895 -15.924 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.062 -14.969 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.318 -14.960 -2.234 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.982 -17.433 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.792 -17.418 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.826 -16.450 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.016 -16.505 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.701 -19.018 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 71 9.776 -18.859 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.974 -19.529 -1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.492 -17.991 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.450 -18.145 -0.275 1.00 0.00 H new ATOM 1123 N PHE A 72 4.278 -16.919 -3.138 1.00 0.00 N ATOM 1124 CA PHE A 72 3.139 -17.403 -2.360 1.00 0.00 C ATOM 1125 C PHE A 72 3.566 -18.058 -1.047 1.00 0.00 C ATOM 1126 O PHE A 72 2.897 -18.967 -0.552 1.00 0.00 O ATOM 1127 CB PHE A 72 2.306 -18.382 -3.191 1.00 0.00 C ATOM 1128 CG PHE A 72 1.515 -17.717 -4.281 1.00 0.00 C ATOM 1129 CD1 PHE A 72 0.310 -17.095 -3.994 1.00 0.00 C ATOM 1130 CD2 PHE A 72 1.973 -17.712 -5.588 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -0.424 -16.480 -4.988 1.00 0.00 C ATOM 1132 CE2 PHE A 72 1.244 -17.096 -6.588 1.00 0.00 C ATOM 1133 CZ PHE A 72 0.044 -16.480 -6.287 1.00 0.00 C ATOM 0 H PHE A 72 4.588 -17.556 -3.872 1.00 0.00 H new ATOM 0 HA PHE A 72 2.532 -16.534 -2.105 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.968 -19.125 -3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.623 -18.917 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.059 -17.092 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 72 2.909 -18.194 -5.828 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.362 -16.000 -4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.612 -17.096 -7.603 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.527 -15.999 -7.067 1.00 0.00 H new ATOM 1143 N SER A 73 4.653 -17.573 -0.461 1.00 0.00 N ATOM 1144 CA SER A 73 5.071 -18.034 0.853 1.00 0.00 C ATOM 1145 C SER A 73 4.317 -17.254 1.923 1.00 0.00 C ATOM 1146 O SER A 73 4.904 -16.510 2.711 1.00 0.00 O ATOM 1147 CB SER A 73 6.580 -17.881 1.021 1.00 0.00 C ATOM 1148 OG SER A 73 7.271 -18.615 0.026 1.00 0.00 O ATOM 0 H SER A 73 5.258 -16.863 -0.874 1.00 0.00 H new ATOM 0 HA SER A 73 4.836 -19.093 0.957 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.853 -16.828 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.878 -18.229 2.010 1.00 0.00 H new ATOM 0 HG SER A 73 8.179 -18.814 0.338 1.00 0.00 H new ATOM 1154 N LYS A 74 3.005 -17.446 1.915 1.00 0.00 N ATOM 1155 CA LYS A 74 2.079 -16.709 2.765 1.00 0.00 C ATOM 1156 C LYS A 74 2.405 -16.900 4.241 1.00 0.00 C ATOM 1157 O LYS A 74 2.256 -17.997 4.784 1.00 0.00 O ATOM 1158 CB LYS A 74 0.658 -17.184 2.468 1.00 0.00 C ATOM 1159 CG LYS A 74 0.336 -17.191 0.981 1.00 0.00 C ATOM 1160 CD LYS A 74 -0.988 -17.875 0.692 1.00 0.00 C ATOM 1161 CE LYS A 74 -1.116 -18.215 -0.784 1.00 0.00 C ATOM 1162 NZ LYS A 74 -2.380 -18.937 -1.091 1.00 0.00 N ATOM 0 H LYS A 74 2.547 -18.127 1.310 1.00 0.00 H new ATOM 0 HA LYS A 74 2.170 -15.644 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.525 -18.189 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.051 -16.538 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.303 -16.166 0.612 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.133 -17.700 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.068 -18.785 1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.810 -17.225 0.992 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.073 -17.297 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.267 -18.828 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.383 -19.221 -2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.451 -19.783 -0.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.190 -18.312 -0.906 1.00 0.00 H new ATOM 1176 N ASP A 75 2.849 -15.830 4.886 1.00 0.00 N ATOM 1177 CA ASP A 75 3.220 -15.885 6.296 1.00 0.00 C ATOM 1178 C ASP A 75 2.922 -14.562 6.989 1.00 0.00 C ATOM 1179 O ASP A 75 3.359 -13.499 6.544 1.00 0.00 O ATOM 1180 CB ASP A 75 4.701 -16.234 6.446 1.00 0.00 C ATOM 1181 CG ASP A 75 5.122 -16.327 7.894 1.00 0.00 C ATOM 1182 OD1 ASP A 75 4.878 -17.373 8.526 1.00 0.00 O ATOM 1183 OD2 ASP A 75 5.699 -15.355 8.412 1.00 0.00 O ATOM 0 H ASP A 75 2.962 -14.912 4.456 1.00 0.00 H new ATOM 0 HA ASP A 75 2.624 -16.664 6.771 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.901 -17.184 5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.303 -15.478 5.942 1.00 0.00 H new ATOM 1188 N ARG A 76 2.178 -14.638 8.083 1.00 0.00 N ATOM 1189 CA ARG A 76 1.768 -13.460 8.838 1.00 0.00 C ATOM 1190 C ARG A 76 2.954 -12.816 9.558 1.00 0.00 C ATOM 1191 O ARG A 76 3.036 -11.591 9.668 1.00 0.00 O ATOM 1192 CB ARG A 76 0.694 -13.865 9.852 1.00 0.00 C ATOM 1193 CG ARG A 76 0.214 -12.737 10.746 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.710 -13.260 11.832 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.010 -12.243 12.836 1.00 0.00 N ATOM 1196 CZ ARG A 76 -0.371 -12.136 14.001 1.00 0.00 C ATOM 1197 NH1 ARG A 76 0.585 -13.001 14.322 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -0.701 -11.172 14.851 1.00 0.00 N ATOM 0 H ARG A 76 1.841 -15.518 8.473 1.00 0.00 H new ATOM 0 HA ARG A 76 1.366 -12.723 8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.161 -14.273 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.087 -14.666 10.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.070 -12.239 11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.308 -11.991 10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.639 -13.608 11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.249 -14.121 12.316 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.753 -11.574 12.634 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.832 -13.751 13.676 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.071 -12.916 15.214 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.443 -10.514 14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.213 -11.089 15.743 1.00 0.00 H new ATOM 1212 N HIS A 77 3.876 -13.645 10.030 1.00 0.00 N ATOM 1213 CA HIS A 77 5.007 -13.163 10.818 1.00 0.00 C ATOM 1214 C HIS A 77 5.964 -12.340 9.962 1.00 0.00 C ATOM 1215 O HIS A 77 6.483 -11.322 10.413 1.00 0.00 O ATOM 1216 CB HIS A 77 5.740 -14.341 11.461 1.00 0.00 C ATOM 1217 CG HIS A 77 6.897 -13.951 12.333 1.00 0.00 C ATOM 1218 ND1 HIS A 77 6.745 -13.340 13.557 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.228 -14.101 12.153 1.00 0.00 C ATOM 1220 CE1 HIS A 77 7.933 -13.135 14.093 1.00 0.00 C ATOM 1221 NE2 HIS A 77 8.854 -13.590 13.263 1.00 0.00 N ATOM 0 H HIS A 77 3.865 -14.654 9.882 1.00 0.00 H new ATOM 0 HA HIS A 77 4.623 -12.514 11.605 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.029 -14.914 12.056 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.101 -15.002 10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.711 -14.542 11.293 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.121 -12.672 15.051 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.862 -13.566 13.420 1.00 0.00 H new ATOM 1230 N LEU A 78 6.189 -12.780 8.729 1.00 0.00 N ATOM 1231 CA LEU A 78 7.065 -12.065 7.806 1.00 0.00 C ATOM 1232 C LEU A 78 6.521 -10.667 7.524 1.00 0.00 C ATOM 1233 O LEU A 78 7.285 -9.717 7.356 1.00 0.00 O ATOM 1234 CB LEU A 78 7.229 -12.847 6.498 1.00 0.00 C ATOM 1235 CG LEU A 78 8.239 -12.257 5.507 1.00 0.00 C ATOM 1236 CD1 LEU A 78 9.614 -12.148 6.144 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.308 -13.113 4.250 1.00 0.00 C ATOM 0 H LEU A 78 5.776 -13.630 8.344 1.00 0.00 H new ATOM 0 HA LEU A 78 8.045 -11.968 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.533 -13.866 6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.258 -12.911 6.007 1.00 0.00 H new ATOM 0 HG LEU A 78 7.906 -11.256 5.233 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.316 -11.727 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.559 -11.500 7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.954 -13.138 6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.029 -12.682 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.619 -14.124 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.326 -13.147 3.779 1.00 0.00 H new ATOM 1249 N ILE A 79 5.197 -10.545 7.484 1.00 0.00 N ATOM 1250 CA ILE A 79 4.553 -9.250 7.319 1.00 0.00 C ATOM 1251 C ILE A 79 4.918 -8.345 8.491 1.00 0.00 C ATOM 1252 O ILE A 79 5.293 -7.186 8.307 1.00 0.00 O ATOM 1253 CB ILE A 79 3.017 -9.391 7.242 1.00 0.00 C ATOM 1254 CG1 ILE A 79 2.631 -10.344 6.109 1.00 0.00 C ATOM 1255 CG2 ILE A 79 2.369 -8.028 7.041 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.150 -10.647 6.039 1.00 0.00 C ATOM 0 H ILE A 79 4.550 -11.330 7.564 1.00 0.00 H new ATOM 0 HA ILE A 79 4.905 -8.814 6.384 1.00 0.00 H new ATOM 0 HB ILE A 79 2.655 -9.807 8.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.948 -9.912 5.160 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.178 -11.279 6.232 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.286 -8.144 6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.624 -7.377 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.732 -7.586 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.957 -11.329 5.211 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.829 -11.110 6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.596 -9.721 5.884 1.00 0.00 H new ATOM 1268 N GLU A 80 4.823 -8.904 9.692 1.00 0.00 N ATOM 1269 CA GLU A 80 5.202 -8.199 10.911 1.00 0.00 C ATOM 1270 C GLU A 80 6.671 -7.782 10.850 1.00 0.00 C ATOM 1271 O GLU A 80 7.009 -6.620 11.088 1.00 0.00 O ATOM 1272 CB GLU A 80 4.968 -9.114 12.118 1.00 0.00 C ATOM 1273 CG GLU A 80 5.329 -8.491 13.457 1.00 0.00 C ATOM 1274 CD GLU A 80 5.369 -9.519 14.569 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.296 -10.004 14.978 1.00 0.00 O ATOM 1276 OE2 GLU A 80 6.480 -9.865 15.025 1.00 0.00 O ATOM 0 H GLU A 80 4.483 -9.853 9.848 1.00 0.00 H new ATOM 0 HA GLU A 80 4.592 -7.301 11.009 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.918 -9.407 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.551 -10.026 11.986 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.300 -8.003 13.380 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.602 -7.717 13.705 1.00 0.00 H new ATOM 1283 N THR A 81 7.530 -8.740 10.512 1.00 0.00 N ATOM 1284 CA THR A 81 8.962 -8.503 10.416 1.00 0.00 C ATOM 1285 C THR A 81 9.275 -7.389 9.417 1.00 0.00 C ATOM 1286 O THR A 81 10.081 -6.500 9.698 1.00 0.00 O ATOM 1287 CB THR A 81 9.699 -9.793 10.003 1.00 0.00 C ATOM 1288 OG1 THR A 81 9.326 -10.865 10.880 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.208 -9.603 10.052 1.00 0.00 C ATOM 0 H THR A 81 7.252 -9.698 10.298 1.00 0.00 H new ATOM 0 HA THR A 81 9.309 -8.191 11.401 1.00 0.00 H new ATOM 0 HB THR A 81 9.414 -10.034 8.979 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.416 -11.159 10.668 1.00 0.00 H new ATOM 0 HG21 THR A 81 11.701 -10.529 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.496 -8.804 9.369 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.509 -9.340 11.066 1.00 0.00 H new ATOM 1297 N THR A 82 8.621 -7.427 8.262 1.00 0.00 N ATOM 1298 CA THR A 82 8.837 -6.423 7.230 1.00 0.00 C ATOM 1299 C THR A 82 8.329 -5.053 7.686 1.00 0.00 C ATOM 1300 O THR A 82 8.982 -4.031 7.470 1.00 0.00 O ATOM 1301 CB THR A 82 8.141 -6.823 5.915 1.00 0.00 C ATOM 1302 OG1 THR A 82 8.534 -8.150 5.544 1.00 0.00 O ATOM 1303 CG2 THR A 82 8.497 -5.859 4.791 1.00 0.00 C ATOM 0 H THR A 82 7.937 -8.143 8.018 1.00 0.00 H new ATOM 0 HA THR A 82 9.911 -6.361 7.053 1.00 0.00 H new ATOM 0 HB THR A 82 7.064 -6.785 6.076 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.124 -8.796 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.992 -6.166 3.875 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.179 -4.852 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.575 -5.869 4.631 1.00 0.00 H new ATOM 1311 N SER A 83 7.172 -5.046 8.338 1.00 0.00 N ATOM 1312 CA SER A 83 6.591 -3.819 8.861 1.00 0.00 C ATOM 1313 C SER A 83 7.523 -3.187 9.897 1.00 0.00 C ATOM 1314 O SER A 83 7.749 -1.973 9.894 1.00 0.00 O ATOM 1315 CB SER A 83 5.221 -4.119 9.477 1.00 0.00 C ATOM 1316 OG SER A 83 4.615 -2.948 9.997 1.00 0.00 O ATOM 0 H SER A 83 6.616 -5.882 8.517 1.00 0.00 H new ATOM 0 HA SER A 83 6.462 -3.109 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.571 -4.561 8.722 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.333 -4.856 10.273 1.00 0.00 H new ATOM 0 HG SER A 83 3.644 -3.000 9.875 1.00 0.00 H new ATOM 1322 N ASN A 84 8.080 -4.014 10.773 1.00 0.00 N ATOM 1323 CA ASN A 84 9.010 -3.534 11.785 1.00 0.00 C ATOM 1324 C ASN A 84 10.351 -3.172 11.160 1.00 0.00 C ATOM 1325 O ASN A 84 11.051 -2.290 11.652 1.00 0.00 O ATOM 1326 CB ASN A 84 9.194 -4.573 12.893 1.00 0.00 C ATOM 1327 CG ASN A 84 7.982 -4.654 13.801 1.00 0.00 C ATOM 1328 OD1 ASN A 84 7.249 -3.678 13.956 1.00 0.00 O ATOM 1329 ND2 ASN A 84 7.769 -5.804 14.418 1.00 0.00 N ATOM 0 H ASN A 84 7.904 -5.018 10.802 1.00 0.00 H new ATOM 0 HA ASN A 84 8.587 -2.633 12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.379 -5.550 12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.074 -4.321 13.484 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.974 -5.905 15.049 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.400 -6.590 14.263 1.00 0.00 H new ATOM 1336 N LYS A 85 10.697 -3.843 10.069 1.00 0.00 N ATOM 1337 CA LYS A 85 11.903 -3.520 9.316 1.00 0.00 C ATOM 1338 C LYS A 85 11.854 -2.064 8.864 1.00 0.00 C ATOM 1339 O LYS A 85 12.812 -1.311 9.038 1.00 0.00 O ATOM 1340 CB LYS A 85 12.032 -4.436 8.095 1.00 0.00 C ATOM 1341 CG LYS A 85 13.356 -4.300 7.361 1.00 0.00 C ATOM 1342 CD LYS A 85 14.446 -5.145 7.998 1.00 0.00 C ATOM 1343 CE LYS A 85 14.155 -6.627 7.834 1.00 0.00 C ATOM 1344 NZ LYS A 85 15.231 -7.474 8.404 1.00 0.00 N ATOM 0 H LYS A 85 10.157 -4.618 9.684 1.00 0.00 H new ATOM 0 HA LYS A 85 12.769 -3.671 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.910 -5.471 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.219 -4.218 7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.227 -4.598 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.663 -3.254 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.407 -4.907 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.526 -4.902 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.210 -6.866 8.321 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.035 -6.857 6.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.991 -8.477 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.129 -7.265 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.329 -7.274 9.420 1.00 0.00 H new ATOM 1358 N LEU A 86 10.716 -1.674 8.306 1.00 0.00 N ATOM 1359 CA LEU A 86 10.520 -0.320 7.812 1.00 0.00 C ATOM 1360 C LEU A 86 10.443 0.677 8.961 1.00 0.00 C ATOM 1361 O LEU A 86 11.130 1.695 8.952 1.00 0.00 O ATOM 1362 CB LEU A 86 9.240 -0.239 6.983 1.00 0.00 C ATOM 1363 CG LEU A 86 8.929 1.144 6.405 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.948 1.525 5.339 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.519 1.182 5.842 1.00 0.00 C ATOM 0 H LEU A 86 9.908 -2.284 8.184 1.00 0.00 H new ATOM 0 HA LEU A 86 11.376 -0.067 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.312 -0.952 6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.402 -0.553 7.605 1.00 0.00 H new ATOM 0 HG LEU A 86 8.994 1.875 7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.708 2.511 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.945 1.544 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.921 0.793 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.316 2.173 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.423 0.439 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.804 0.962 6.635 1.00 0.00 H new ATOM 1377 N LYS A 87 9.620 0.373 9.958 1.00 0.00 N ATOM 1378 CA LYS A 87 9.394 1.299 11.064 1.00 0.00 C ATOM 1379 C LYS A 87 10.643 1.480 11.928 1.00 0.00 C ATOM 1380 O LYS A 87 10.741 2.446 12.683 1.00 0.00 O ATOM 1381 CB LYS A 87 8.206 0.845 11.926 1.00 0.00 C ATOM 1382 CG LYS A 87 6.862 1.007 11.228 1.00 0.00 C ATOM 1383 CD LYS A 87 5.690 0.886 12.198 1.00 0.00 C ATOM 1384 CE LYS A 87 5.044 -0.493 12.164 1.00 0.00 C ATOM 1385 NZ LYS A 87 5.906 -1.547 12.757 1.00 0.00 N ATOM 0 H LYS A 87 9.100 -0.502 10.024 1.00 0.00 H new ATOM 0 HA LYS A 87 9.157 2.268 10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.342 -0.201 12.199 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.198 1.418 12.853 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.825 1.979 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.766 0.251 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.037 1.096 13.210 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.942 1.640 11.954 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.097 -0.459 12.703 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.814 -0.756 11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.315 -2.345 13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.590 -1.877 12.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.417 -1.158 13.575 1.00 0.00 H new ATOM 1399 N SER A 88 11.591 0.564 11.819 1.00 0.00 N ATOM 1400 CA SER A 88 12.819 0.658 12.591 1.00 0.00 C ATOM 1401 C SER A 88 13.967 1.214 11.739 1.00 0.00 C ATOM 1402 O SER A 88 14.542 2.252 12.067 1.00 0.00 O ATOM 1403 CB SER A 88 13.188 -0.712 13.167 1.00 0.00 C ATOM 1404 OG SER A 88 14.229 -0.606 14.122 1.00 0.00 O ATOM 0 H SER A 88 11.535 -0.250 11.206 1.00 0.00 H new ATOM 0 HA SER A 88 12.651 1.351 13.416 1.00 0.00 H new ATOM 0 HB2 SER A 88 12.310 -1.162 13.631 1.00 0.00 H new ATOM 0 HB3 SER A 88 13.498 -1.376 12.360 1.00 0.00 H new ATOM 0 HG SER A 88 14.442 -1.496 14.474 1.00 0.00 H new ATOM 1410 N ARG A 89 14.283 0.539 10.634 1.00 0.00 N ATOM 1411 CA ARG A 89 15.449 0.900 9.825 1.00 0.00 C ATOM 1412 C ARG A 89 15.135 1.992 8.813 1.00 0.00 C ATOM 1413 O ARG A 89 16.035 2.706 8.378 1.00 0.00 O ATOM 1414 CB ARG A 89 15.993 -0.319 9.074 1.00 0.00 C ATOM 1415 CG ARG A 89 17.066 -1.106 9.814 1.00 0.00 C ATOM 1416 CD ARG A 89 16.537 -1.751 11.083 1.00 0.00 C ATOM 1417 NE ARG A 89 16.865 -0.980 12.284 1.00 0.00 N ATOM 1418 CZ ARG A 89 17.155 -1.536 13.465 1.00 0.00 C ATOM 1419 NH1 ARG A 89 17.191 -2.859 13.586 1.00 0.00 N ATOM 1420 NH2 ARG A 89 17.419 -0.776 14.521 1.00 0.00 N ATOM 0 H ARG A 89 13.752 -0.256 10.279 1.00 0.00 H new ATOM 0 HA ARG A 89 16.198 1.276 10.522 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.163 -0.989 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 89 16.401 0.014 8.120 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.466 -1.878 9.156 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.893 -0.441 10.065 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.455 -1.858 11.008 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.951 -2.755 11.176 1.00 0.00 H new ATOM 0 HE ARG A 89 16.873 0.038 12.216 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.997 -3.450 12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.412 -3.283 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.402 0.240 14.435 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.639 -1.208 15.418 1.00 0.00 H new ATOM 1434 N GLU A 90 13.864 2.120 8.442 1.00 0.00 N ATOM 1435 CA GLU A 90 13.459 3.007 7.353 1.00 0.00 C ATOM 1436 C GLU A 90 14.233 2.666 6.084 1.00 0.00 C ATOM 1437 O GLU A 90 15.180 3.358 5.709 1.00 0.00 O ATOM 1438 CB GLU A 90 13.666 4.480 7.720 1.00 0.00 C ATOM 1439 CG GLU A 90 12.876 4.926 8.936 1.00 0.00 C ATOM 1440 CD GLU A 90 13.128 6.378 9.282 1.00 0.00 C ATOM 1441 OE1 GLU A 90 14.099 6.657 10.020 1.00 0.00 O ATOM 1442 OE2 GLU A 90 12.355 7.250 8.824 1.00 0.00 O ATOM 0 H GLU A 90 13.092 1.618 8.882 1.00 0.00 H new ATOM 0 HA GLU A 90 12.394 2.855 7.177 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.726 4.653 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 90 13.385 5.100 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 90 11.812 4.778 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 90 13.141 4.300 9.788 1.00 0.00 H new ATOM 1449 N ILE A 91 13.853 1.559 5.460 1.00 0.00 N ATOM 1450 CA ILE A 91 14.514 1.094 4.248 1.00 0.00 C ATOM 1451 C ILE A 91 14.040 1.869 3.013 1.00 0.00 C ATOM 1452 O ILE A 91 14.312 3.059 2.877 1.00 0.00 O ATOM 1453 CB ILE A 91 14.311 -0.426 4.044 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.850 -0.826 4.306 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.252 -1.206 4.955 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.566 -2.293 4.061 1.00 0.00 C ATOM 0 H ILE A 91 13.087 0.964 5.775 1.00 0.00 H new ATOM 0 HA ILE A 91 15.580 1.282 4.374 1.00 0.00 H new ATOM 0 HB ILE A 91 14.544 -0.669 3.007 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.596 -0.583 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.199 -0.228 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.101 -2.275 4.804 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.284 -0.948 4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.044 -0.954 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.516 -2.500 4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.787 -2.538 3.022 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.190 -2.899 4.718 1.00 0.00 H new ATOM 1468 N THR A 92 13.345 1.198 2.107 1.00 0.00 N ATOM 1469 CA THR A 92 12.819 1.840 0.913 1.00 0.00 C ATOM 1470 C THR A 92 11.557 1.113 0.450 1.00 0.00 C ATOM 1471 O THR A 92 11.367 -0.066 0.758 1.00 0.00 O ATOM 1472 CB THR A 92 13.883 1.881 -0.211 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.094 2.467 0.291 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.402 2.692 -1.408 1.00 0.00 C ATOM 0 H THR A 92 13.132 0.203 2.177 1.00 0.00 H new ATOM 0 HA THR A 92 12.561 2.871 1.154 1.00 0.00 H new ATOM 0 HB THR A 92 14.062 0.856 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.766 2.490 -0.422 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.175 2.699 -2.177 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.494 2.243 -1.810 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.193 3.715 -1.094 1.00 0.00 H new ATOM 1482 N PHE A 93 10.698 1.830 -0.272 1.00 0.00 N ATOM 1483 CA PHE A 93 9.387 1.327 -0.677 1.00 0.00 C ATOM 1484 C PHE A 93 9.500 0.037 -1.497 1.00 0.00 C ATOM 1485 O PHE A 93 8.639 -0.842 -1.417 1.00 0.00 O ATOM 1486 CB PHE A 93 8.658 2.408 -1.484 1.00 0.00 C ATOM 1487 CG PHE A 93 7.176 2.191 -1.617 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.357 2.252 -0.503 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.602 1.946 -2.854 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.992 2.068 -0.616 1.00 0.00 C ATOM 1491 CE2 PHE A 93 5.237 1.759 -2.974 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.433 1.821 -1.852 1.00 0.00 C ATOM 0 H PHE A 93 10.892 2.778 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 93 8.819 1.089 0.222 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.830 3.375 -1.011 1.00 0.00 H new ATOM 0 HB3 PHE A 93 9.096 2.458 -2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.790 2.446 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.227 1.901 -3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.365 2.118 0.262 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.800 1.565 -3.943 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.367 1.676 -1.943 1.00 0.00 H new ATOM 1502 N GLN A 94 10.569 -0.073 -2.277 1.00 0.00 N ATOM 1503 CA GLN A 94 10.794 -1.253 -3.106 1.00 0.00 C ATOM 1504 C GLN A 94 11.072 -2.475 -2.241 1.00 0.00 C ATOM 1505 O GLN A 94 10.356 -3.475 -2.317 1.00 0.00 O ATOM 1506 CB GLN A 94 11.965 -1.033 -4.073 1.00 0.00 C ATOM 1507 CG GLN A 94 11.666 -0.099 -5.239 1.00 0.00 C ATOM 1508 CD GLN A 94 11.399 1.333 -4.816 1.00 0.00 C ATOM 1509 OE1 GLN A 94 10.254 1.727 -4.594 1.00 0.00 O ATOM 1510 NE2 GLN A 94 12.458 2.114 -4.683 1.00 0.00 N ATOM 0 H GLN A 94 11.294 0.640 -2.353 1.00 0.00 H new ATOM 0 HA GLN A 94 9.887 -1.424 -3.686 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.810 -0.632 -3.513 1.00 0.00 H new ATOM 0 HB3 GLN A 94 12.276 -1.999 -4.471 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.508 -0.114 -5.931 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.800 -0.476 -5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 94 13.390 1.747 -4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.343 3.083 -4.386 1.00 0.00 H new ATOM 1519 N GLU A 95 12.100 -2.377 -1.407 1.00 0.00 N ATOM 1520 CA GLU A 95 12.522 -3.485 -0.552 1.00 0.00 C ATOM 1521 C GLU A 95 11.403 -3.891 0.401 1.00 0.00 C ATOM 1522 O GLU A 95 11.229 -5.072 0.711 1.00 0.00 O ATOM 1523 CB GLU A 95 13.765 -3.096 0.256 1.00 0.00 C ATOM 1524 CG GLU A 95 15.041 -2.933 -0.570 1.00 0.00 C ATOM 1525 CD GLU A 95 14.959 -1.814 -1.597 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.318 -0.786 -1.306 1.00 0.00 O ATOM 1527 OE2 GLU A 95 15.528 -1.963 -2.697 1.00 0.00 O ATOM 0 H GLU A 95 12.663 -1.533 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 95 12.762 -4.331 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.564 -2.160 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.937 -3.855 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.877 -2.739 0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.255 -3.871 -1.082 1.00 0.00 H new ATOM 1534 N TYR A 96 10.649 -2.901 0.854 1.00 0.00 N ATOM 1535 CA TYR A 96 9.530 -3.130 1.756 1.00 0.00 C ATOM 1536 C TYR A 96 8.495 -4.044 1.104 1.00 0.00 C ATOM 1537 O TYR A 96 8.010 -4.992 1.717 1.00 0.00 O ATOM 1538 CB TYR A 96 8.892 -1.790 2.141 1.00 0.00 C ATOM 1539 CG TYR A 96 7.789 -1.897 3.170 1.00 0.00 C ATOM 1540 CD1 TYR A 96 8.045 -2.394 4.438 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.494 -1.486 2.877 1.00 0.00 C ATOM 1542 CE1 TYR A 96 7.046 -2.481 5.388 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.488 -1.569 3.821 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.772 -2.067 5.075 1.00 0.00 C ATOM 1545 OH TYR A 96 4.777 -2.145 6.023 1.00 0.00 O ATOM 0 H TYR A 96 10.794 -1.922 0.609 1.00 0.00 H new ATOM 0 HA TYR A 96 9.898 -3.620 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.668 -1.129 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.490 -1.321 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.044 -2.719 4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.270 -1.095 1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.264 -2.872 6.371 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.486 -1.246 3.578 1.00 0.00 H new ATOM 0 HH TYR A 96 3.973 -2.536 5.622 1.00 0.00 H new ATOM 1555 N ARG A 97 8.180 -3.772 -0.153 1.00 0.00 N ATOM 1556 CA ARG A 97 7.161 -4.537 -0.853 1.00 0.00 C ATOM 1557 C ARG A 97 7.692 -5.881 -1.335 1.00 0.00 C ATOM 1558 O ARG A 97 6.919 -6.811 -1.544 1.00 0.00 O ATOM 1559 CB ARG A 97 6.599 -3.737 -2.022 1.00 0.00 C ATOM 1560 CG ARG A 97 5.865 -2.482 -1.586 1.00 0.00 C ATOM 1561 CD ARG A 97 5.138 -1.833 -2.746 1.00 0.00 C ATOM 1562 NE ARG A 97 6.051 -1.404 -3.805 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.734 -1.421 -5.097 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.586 -1.962 -5.479 1.00 0.00 N ATOM 1565 NH2 ARG A 97 6.567 -0.930 -6.011 1.00 0.00 N ATOM 0 H ARG A 97 8.612 -3.032 -0.706 1.00 0.00 H new ATOM 0 HA ARG A 97 6.358 -4.736 -0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 7.414 -3.460 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.919 -4.369 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.151 -2.731 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.575 -1.774 -1.158 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.414 -2.536 -3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.576 -0.972 -2.383 1.00 0.00 H new ATOM 0 HE ARG A 97 6.979 -1.075 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.954 -2.361 -4.785 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.334 -1.980 -6.467 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.462 -0.534 -5.725 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.310 -0.950 -6.998 1.00 0.00 H new ATOM 1579 N ARG A 98 9.003 -5.989 -1.511 1.00 0.00 N ATOM 1580 CA ARG A 98 9.604 -7.261 -1.903 1.00 0.00 C ATOM 1581 C ARG A 98 9.385 -8.306 -0.819 1.00 0.00 C ATOM 1582 O ARG A 98 8.982 -9.432 -1.102 1.00 0.00 O ATOM 1583 CB ARG A 98 11.102 -7.116 -2.170 1.00 0.00 C ATOM 1584 CG ARG A 98 11.436 -6.321 -3.416 1.00 0.00 C ATOM 1585 CD ARG A 98 12.929 -6.337 -3.690 1.00 0.00 C ATOM 1586 NE ARG A 98 13.300 -5.430 -4.773 1.00 0.00 N ATOM 1587 CZ ARG A 98 14.224 -4.484 -4.647 1.00 0.00 C ATOM 1588 NH1 ARG A 98 14.948 -4.424 -3.541 1.00 0.00 N ATOM 1589 NH2 ARG A 98 14.463 -3.639 -5.642 1.00 0.00 N ATOM 0 H ARG A 98 9.665 -5.222 -1.391 1.00 0.00 H new ATOM 0 HA ARG A 98 9.118 -7.580 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.568 -6.635 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.542 -8.109 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.902 -6.737 -4.270 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.096 -5.292 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 98 13.466 -6.057 -2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.239 -7.350 -3.944 1.00 0.00 H new ATOM 0 HE ARG A 98 12.826 -5.528 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 98 14.794 -5.101 -2.794 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.660 -3.701 -3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.935 -3.713 -6.512 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.174 -2.915 -5.537 1.00 0.00 H new ATOM 1603 N ASN A 99 9.641 -7.917 0.426 1.00 0.00 N ATOM 1604 CA ASN A 99 9.480 -8.822 1.559 1.00 0.00 C ATOM 1605 C ASN A 99 8.004 -9.096 1.827 1.00 0.00 C ATOM 1606 O ASN A 99 7.634 -10.194 2.242 1.00 0.00 O ATOM 1607 CB ASN A 99 10.156 -8.259 2.813 1.00 0.00 C ATOM 1608 CG ASN A 99 11.672 -8.311 2.737 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.292 -9.296 3.139 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.285 -7.250 2.230 1.00 0.00 N ATOM 0 H ASN A 99 9.961 -6.981 0.676 1.00 0.00 H new ATOM 0 HA ASN A 99 9.965 -9.764 1.305 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.839 -7.226 2.959 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.821 -8.821 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.303 -7.232 2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.739 -6.452 1.907 1.00 0.00 H new ATOM 1617 N LEU A 100 7.160 -8.099 1.578 1.00 0.00 N ATOM 1618 CA LEU A 100 5.717 -8.281 1.690 1.00 0.00 C ATOM 1619 C LEU A 100 5.221 -9.270 0.641 1.00 0.00 C ATOM 1620 O LEU A 100 4.431 -10.164 0.940 1.00 0.00 O ATOM 1621 CB LEU A 100 4.990 -6.945 1.534 1.00 0.00 C ATOM 1622 CG LEU A 100 5.092 -6.010 2.738 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.452 -4.673 2.422 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.425 -6.637 3.951 1.00 0.00 C ATOM 0 H LEU A 100 7.449 -7.161 1.299 1.00 0.00 H new ATOM 0 HA LEU A 100 5.502 -8.681 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.389 -6.431 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.937 -7.143 1.335 1.00 0.00 H new ATOM 0 HG LEU A 100 6.146 -5.848 2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.532 -4.017 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.962 -4.217 1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.401 -4.822 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.505 -5.960 4.801 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.373 -6.822 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.917 -7.580 4.190 1.00 0.00 H new ATOM 1636 N ALA A 101 5.707 -9.117 -0.583 1.00 0.00 N ATOM 1637 CA ALA A 101 5.341 -10.015 -1.666 1.00 0.00 C ATOM 1638 C ALA A 101 5.914 -11.409 -1.432 1.00 0.00 C ATOM 1639 O ALA A 101 5.404 -12.391 -1.960 1.00 0.00 O ATOM 1640 CB ALA A 101 5.813 -9.461 -2.997 1.00 0.00 C ATOM 0 H ALA A 101 6.357 -8.377 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 101 4.254 -10.095 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.531 -10.146 -3.797 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.351 -8.489 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.897 -9.349 -2.981 1.00 0.00 H new ATOM 1646 N LYS A 102 6.985 -11.477 -0.643 1.00 0.00 N ATOM 1647 CA LYS A 102 7.562 -12.753 -0.226 1.00 0.00 C ATOM 1648 C LYS A 102 6.647 -13.448 0.778 1.00 0.00 C ATOM 1649 O LYS A 102 6.703 -14.665 0.943 1.00 0.00 O ATOM 1650 CB LYS A 102 8.944 -12.543 0.403 1.00 0.00 C ATOM 1651 CG LYS A 102 10.084 -12.458 -0.600 1.00 0.00 C ATOM 1652 CD LYS A 102 10.321 -13.798 -1.281 1.00 0.00 C ATOM 1653 CE LYS A 102 11.650 -13.833 -2.018 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.712 -12.856 -3.138 1.00 0.00 N ATOM 0 H LYS A 102 7.473 -10.659 -0.278 1.00 0.00 H new ATOM 0 HA LYS A 102 7.667 -13.380 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.926 -11.626 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.144 -13.362 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.855 -11.701 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.995 -12.139 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.298 -14.593 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 102 9.511 -13.996 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.456 -13.625 -1.315 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.818 -14.837 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 12.639 -12.922 -3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.961 -13.068 -3.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 11.579 -11.894 -2.767 1.00 0.00 H new ATOM 1668 N ALA A 103 5.809 -12.662 1.443 1.00 0.00 N ATOM 1669 CA ALA A 103 4.891 -13.184 2.446 1.00 0.00 C ATOM 1670 C ALA A 103 3.524 -13.474 1.837 1.00 0.00 C ATOM 1671 O ALA A 103 2.566 -13.775 2.552 1.00 0.00 O ATOM 1672 CB ALA A 103 4.760 -12.204 3.602 1.00 0.00 C ATOM 0 H ALA A 103 5.747 -11.653 1.304 1.00 0.00 H new ATOM 0 HA ALA A 103 5.298 -14.122 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.071 -12.607 4.344 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.737 -12.049 4.060 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.378 -11.253 3.231 1.00 0.00 H new ATOM 1678 N GLY A 104 3.439 -13.377 0.516 1.00 0.00 N ATOM 1679 CA GLY A 104 2.203 -13.689 -0.175 1.00 0.00 C ATOM 1680 C GLY A 104 1.252 -12.511 -0.248 1.00 0.00 C ATOM 1681 O GLY A 104 0.122 -12.649 -0.722 1.00 0.00 O ATOM 0 H GLY A 104 4.206 -13.087 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.433 -14.026 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.708 -14.517 0.332 1.00 0.00 H new ATOM 1685 N VAL A 105 1.702 -11.353 0.217 1.00 0.00 N ATOM 1686 CA VAL A 105 0.873 -10.158 0.197 1.00 0.00 C ATOM 1687 C VAL A 105 0.779 -9.591 -1.214 1.00 0.00 C ATOM 1688 O VAL A 105 1.717 -8.974 -1.716 1.00 0.00 O ATOM 1689 CB VAL A 105 1.411 -9.068 1.148 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.517 -7.834 1.115 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.532 -9.608 2.569 1.00 0.00 C ATOM 0 H VAL A 105 2.633 -11.217 0.611 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.118 -10.455 0.540 1.00 0.00 H new ATOM 0 HB VAL A 105 2.404 -8.777 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.915 -7.078 1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.487 -7.433 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.491 -8.107 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.913 -8.825 3.225 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.552 -9.931 2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.218 -10.455 2.579 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.351 -9.832 -1.856 1.00 0.00 N ATOM 1702 CA PHE A 106 -0.592 -9.318 -3.193 1.00 0.00 C ATOM 1703 C PHE A 106 -1.597 -8.176 -3.142 1.00 0.00 C ATOM 1704 O PHE A 106 -1.555 -7.253 -3.957 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.110 -10.435 -4.110 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.224 -10.032 -5.557 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -0.154 -10.198 -6.420 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -2.402 -9.488 -6.051 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -0.254 -9.830 -7.750 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -2.506 -9.118 -7.377 1.00 0.00 C ATOM 1711 CZ PHE A 106 -1.433 -9.290 -8.227 1.00 0.00 C ATOM 0 H PHE A 106 -1.119 -10.382 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 106 0.349 -8.943 -3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.443 -11.293 -4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.088 -10.759 -3.755 1.00 0.00 H new ATOM 0 HD1 PHE A 106 0.769 -10.620 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -3.246 -9.353 -5.391 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.587 -9.964 -8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -3.427 -8.694 -7.749 1.00 0.00 H new ATOM 0 HZ PHE A 106 -1.515 -9.003 -9.265 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.498 -8.238 -2.169 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.541 -7.235 -2.047 1.00 0.00 C ATOM 1723 C ARG A 107 -3.250 -6.302 -0.875 1.00 0.00 C ATOM 1724 O ARG A 107 -3.428 -6.666 0.289 1.00 0.00 O ATOM 1725 CB ARG A 107 -4.908 -7.896 -1.859 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.070 -6.931 -2.037 1.00 0.00 C ATOM 1727 CD ARG A 107 -6.525 -6.864 -3.484 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.611 -7.807 -3.757 1.00 0.00 N ATOM 1729 CZ ARG A 107 -7.658 -8.623 -4.809 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -6.643 -8.692 -5.659 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -8.723 -9.386 -4.995 1.00 0.00 N ATOM 0 H ARG A 107 -2.525 -8.969 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.559 -6.652 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.010 -8.713 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.958 -8.335 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.903 -7.244 -1.407 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.773 -5.937 -1.702 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.856 -5.851 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.682 -7.080 -4.140 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.386 -7.842 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -5.814 -8.116 -5.511 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.691 -9.321 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.500 -9.347 -4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.767 -10.013 -5.798 1.00 0.00 H new ATOM 1745 N TRP A 108 -2.795 -5.107 -1.198 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.492 -4.091 -0.205 1.00 0.00 C ATOM 1747 C TRP A 108 -3.679 -3.140 -0.084 1.00 0.00 C ATOM 1748 O TRP A 108 -3.965 -2.373 -1.000 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.214 -3.343 -0.633 1.00 0.00 C ATOM 1750 CG TRP A 108 -0.759 -2.239 0.282 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.531 -1.300 0.899 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.594 -1.937 0.638 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.747 -0.448 1.631 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.563 -0.814 1.486 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.828 -2.511 0.331 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.718 -0.254 2.022 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.974 -1.954 0.862 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.911 -0.835 1.702 1.00 0.00 C ATOM 0 H TRP A 108 -2.624 -4.811 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.318 -4.544 0.771 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.406 -4.068 -0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.378 -2.922 -1.625 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.606 -1.237 0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.085 0.333 2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.886 -3.377 -0.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.672 0.610 2.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.934 -2.388 0.626 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.825 -0.424 2.105 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.391 -3.205 1.030 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.541 -2.338 1.232 1.00 0.00 C ATOM 1771 C VAL A 109 -5.325 -1.408 2.423 1.00 0.00 C ATOM 1772 O VAL A 109 -5.384 -1.834 3.576 1.00 0.00 O ATOM 1773 CB VAL A 109 -6.838 -3.152 1.450 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.030 -2.226 1.639 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.080 -4.100 0.286 1.00 0.00 C ATOM 0 H VAL A 109 -4.196 -3.843 1.802 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.650 -1.743 0.325 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.717 -3.745 2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -8.931 -2.820 1.791 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.863 -1.591 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.151 -1.603 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -7.997 -4.663 0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.175 -3.527 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.241 -4.791 0.199 1.00 0.00 H new ATOM 1785 N THR A 110 -5.066 -0.138 2.146 1.00 0.00 N ATOM 1786 CA THR A 110 -4.934 0.843 3.210 1.00 0.00 C ATOM 1787 C THR A 110 -6.283 1.499 3.468 1.00 0.00 C ATOM 1788 O THR A 110 -6.780 2.271 2.643 1.00 0.00 O ATOM 1789 CB THR A 110 -3.894 1.932 2.881 1.00 0.00 C ATOM 1790 OG1 THR A 110 -2.625 1.339 2.579 1.00 0.00 O ATOM 1791 CG2 THR A 110 -3.734 2.897 4.044 1.00 0.00 C ATOM 0 H THR A 110 -4.944 0.233 1.204 1.00 0.00 H new ATOM 0 HA THR A 110 -4.588 0.314 4.098 1.00 0.00 H new ATOM 0 HB THR A 110 -4.252 2.482 2.011 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.183 1.855 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 110 -2.995 3.656 3.788 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.690 3.377 4.253 1.00 0.00 H new ATOM 0 HG23 THR A 110 -3.402 2.351 4.927 1.00 0.00 H new ATOM 1799 N ASN A 111 -6.878 1.174 4.603 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.189 1.687 4.952 1.00 0.00 C ATOM 1801 C ASN A 111 -8.052 2.837 5.942 1.00 0.00 C ATOM 1802 O ASN A 111 -7.957 2.624 7.153 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.056 0.567 5.535 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.519 0.950 5.641 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.020 1.766 4.874 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.224 0.347 6.577 1.00 0.00 N ATOM 0 H ASN A 111 -6.470 0.553 5.302 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.676 2.063 4.052 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.962 -0.321 4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.682 0.302 6.524 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.217 0.554 6.680 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -10.776 -0.327 7.198 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.016 4.054 5.410 1.00 0.00 N ATOM 1814 CA ILE A 112 -7.872 5.256 6.226 1.00 0.00 C ATOM 1815 C ILE A 112 -9.105 5.446 7.101 1.00 0.00 C ATOM 1816 O ILE A 112 -9.036 6.040 8.175 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.647 6.506 5.338 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.338 6.368 4.553 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.634 7.782 6.172 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.111 6.260 5.435 1.00 0.00 C ATOM 0 H ILE A 112 -8.085 4.235 4.409 1.00 0.00 H new ATOM 0 HA ILE A 112 -6.998 5.132 6.865 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.477 6.575 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.397 5.485 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.227 7.229 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.474 8.641 5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.589 7.890 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.830 7.729 6.906 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.222 6.165 4.812 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.027 7.154 6.053 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.200 5.383 6.076 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.223 4.894 6.644 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.480 4.951 7.382 1.00 0.00 C ATOM 1834 C HIS A 113 -11.334 4.326 8.777 1.00 0.00 C ATOM 1835 O HIS A 113 -12.106 4.632 9.685 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.576 4.221 6.594 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.940 4.316 7.208 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -14.565 3.255 7.834 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.807 5.353 7.277 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -15.756 3.638 8.256 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.925 4.905 7.932 1.00 0.00 N ATOM 0 H HIS A 113 -10.284 4.396 5.756 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.756 5.998 7.508 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.615 4.629 5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.303 3.170 6.503 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.648 6.348 6.888 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -16.470 3.019 8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.755 5.462 8.136 1.00 0.00 H new ATOM 1850 N GLU A 114 -10.346 3.448 8.936 1.00 0.00 N ATOM 1851 CA GLU A 114 -10.142 2.752 10.204 1.00 0.00 C ATOM 1852 C GLU A 114 -8.686 2.832 10.660 1.00 0.00 C ATOM 1853 O GLU A 114 -8.311 2.205 11.658 1.00 0.00 O ATOM 1854 CB GLU A 114 -10.561 1.289 10.064 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.007 1.120 9.633 1.00 0.00 C ATOM 1856 CD GLU A 114 -12.361 -0.311 9.288 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -11.444 -1.103 8.991 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -13.560 -0.636 9.278 1.00 0.00 O ATOM 0 H GLU A 114 -9.677 3.203 8.206 1.00 0.00 H new ATOM 0 HA GLU A 114 -10.758 3.241 10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -9.912 0.800 9.337 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -10.411 0.782 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.661 1.467 10.433 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.198 1.754 8.767 1.00 0.00 H new ATOM 1865 N GLN A 115 -7.877 3.608 9.934 1.00 0.00 N ATOM 1866 CA GLN A 115 -6.446 3.750 10.228 1.00 0.00 C ATOM 1867 C GLN A 115 -5.748 2.391 10.240 1.00 0.00 C ATOM 1868 O GLN A 115 -4.844 2.144 11.046 1.00 0.00 O ATOM 1869 CB GLN A 115 -6.224 4.465 11.570 1.00 0.00 C ATOM 1870 CG GLN A 115 -6.343 5.984 11.499 1.00 0.00 C ATOM 1871 CD GLN A 115 -7.749 6.468 11.188 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -8.739 5.852 11.583 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -7.840 7.568 10.461 1.00 0.00 N ATOM 0 H GLN A 115 -8.191 4.153 9.131 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.011 4.357 9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -6.948 4.089 12.293 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -5.234 4.207 11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -6.022 6.410 12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -5.661 6.359 10.736 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -6.994 8.048 10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -8.756 7.937 10.207 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.152 1.518 9.330 1.00 0.00 N ATOM 1883 CA LYS A 116 -5.621 0.165 9.292 1.00 0.00 C ATOM 1884 C LYS A 116 -5.193 -0.232 7.883 1.00 0.00 C ATOM 1885 O LYS A 116 -5.873 0.079 6.905 1.00 0.00 O ATOM 1886 CB LYS A 116 -6.669 -0.822 9.814 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.031 -0.610 11.275 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.202 -1.476 11.699 1.00 0.00 C ATOM 1889 CE LYS A 116 -8.576 -1.222 13.150 1.00 0.00 C ATOM 1890 NZ LYS A 116 -9.018 0.181 13.381 1.00 0.00 N ATOM 0 H LYS A 116 -6.844 1.722 8.609 1.00 0.00 H new ATOM 0 HA LYS A 116 -4.738 0.135 9.931 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -7.571 -0.735 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -6.295 -1.838 9.685 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.167 -0.837 11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.277 0.439 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.060 -1.271 11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.948 -2.527 11.565 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.374 -1.905 13.442 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.719 -1.441 13.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.444 0.606 14.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -8.899 0.731 12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -10.020 0.188 13.661 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.057 -0.909 7.793 1.00 0.00 N ATOM 1905 CA ARG A 117 -3.587 -1.469 6.538 1.00 0.00 C ATOM 1906 C ARG A 117 -3.814 -2.972 6.543 1.00 0.00 C ATOM 1907 O ARG A 117 -3.234 -3.700 7.351 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.103 -1.156 6.301 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.819 0.324 6.103 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.424 0.568 5.541 1.00 0.00 C ATOM 1911 NE ARG A 117 0.633 0.109 6.445 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.935 0.139 6.154 1.00 0.00 C ATOM 1913 NH1 ARG A 117 2.354 0.670 5.011 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.813 -0.340 7.023 1.00 0.00 N ATOM 0 H ARG A 117 -3.439 -1.084 8.585 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.151 -1.013 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -1.523 -1.519 7.150 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.760 -1.704 5.424 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.561 0.748 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -1.922 0.843 7.056 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.327 0.056 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.295 1.633 5.347 1.00 0.00 H new ATOM 0 HE ARG A 117 0.356 -0.257 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.680 1.057 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.350 0.691 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 117 2.493 -0.729 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 117 3.809 -0.319 6.805 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.687 -3.423 5.660 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.059 -4.823 5.593 1.00 0.00 C ATOM 1930 C TYR A 118 -4.233 -5.547 4.540 1.00 0.00 C ATOM 1931 O TYR A 118 -4.259 -5.196 3.358 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.552 -4.957 5.288 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.455 -4.474 6.404 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.824 -3.138 6.503 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -7.939 -5.358 7.358 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.648 -2.699 7.524 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -8.766 -4.927 8.379 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.116 -3.598 8.459 1.00 0.00 C ATOM 1939 OH TYR A 118 -9.938 -3.169 9.479 1.00 0.00 O ATOM 0 H TYR A 118 -5.155 -2.832 4.973 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.857 -5.283 6.560 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.779 -4.395 4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.777 -6.003 5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.462 -2.431 5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.665 -6.401 7.302 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.923 -1.657 7.588 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.136 -5.630 9.111 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.476 -2.411 9.168 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.493 -6.554 4.981 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.649 -7.331 4.090 1.00 0.00 C ATOM 1951 C TYR A 119 -3.359 -8.608 3.660 1.00 0.00 C ATOM 1952 O TYR A 119 -3.515 -9.544 4.456 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.323 -7.667 4.775 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.511 -6.447 5.162 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.353 -5.849 4.254 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.604 -5.894 6.435 1.00 0.00 C ATOM 1957 CE1 TYR A 119 1.102 -4.739 4.601 1.00 0.00 C ATOM 1958 CE2 TYR A 119 0.140 -4.783 6.789 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.993 -4.211 5.871 1.00 0.00 C ATOM 1960 OH TYR A 119 1.737 -3.104 6.218 1.00 0.00 O ATOM 0 H TYR A 119 -3.461 -6.852 5.956 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.443 -6.734 3.201 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.525 -8.257 5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.728 -8.292 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.442 -6.258 3.258 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.269 -6.340 7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.769 -4.288 3.881 1.00 0.00 H new ATOM 0 HE2 TYR A 119 0.052 -4.366 7.781 1.00 0.00 H new ATOM 0 HH TYR A 119 1.851 -3.079 7.191 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.803 -8.630 2.410 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.485 -9.788 1.849 1.00 0.00 C ATOM 1972 C TYR A 120 -3.581 -10.530 0.871 1.00 0.00 C ATOM 1973 O TYR A 120 -2.715 -9.932 0.228 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.755 -9.377 1.095 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.856 -8.779 1.941 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -6.910 -7.415 2.187 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.857 -9.581 2.470 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -7.929 -6.867 2.937 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.880 -9.041 3.226 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.912 -7.683 3.455 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.930 -7.135 4.201 1.00 0.00 O ATOM 0 H TYR A 120 -3.701 -7.850 1.760 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.746 -10.434 2.687 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.481 -8.655 0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.151 -10.254 0.583 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -6.141 -6.772 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -7.836 -10.645 2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.957 -5.803 3.118 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -9.649 -9.679 3.635 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.541 -7.844 4.491 1.00 0.00 H new ATOM 1991 N THR A 121 -3.800 -11.829 0.754 1.00 0.00 N ATOM 1992 CA THR A 121 -3.154 -12.624 -0.276 1.00 0.00 C ATOM 1993 C THR A 121 -3.983 -12.550 -1.562 1.00 0.00 C ATOM 1994 O THR A 121 -5.062 -11.949 -1.571 1.00 0.00 O ATOM 1995 CB THR A 121 -2.982 -14.097 0.177 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.440 -14.906 -0.879 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.306 -14.684 0.641 1.00 0.00 C ATOM 0 H THR A 121 -4.424 -12.358 1.364 1.00 0.00 H new ATOM 0 HA THR A 121 -2.158 -12.221 -0.460 1.00 0.00 H new ATOM 0 HB THR A 121 -2.283 -14.098 1.013 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.125 -15.530 -1.198 1.00 0.00 H new ATOM 0 HG21 THR A 121 -4.156 -15.718 0.953 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.687 -14.103 1.481 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.025 -14.653 -0.178 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.493 -13.158 -2.635 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.200 -13.160 -3.913 1.00 0.00 C ATOM 2007 C PHE A 122 -5.530 -13.904 -3.783 1.00 0.00 C ATOM 2008 O PHE A 122 -6.450 -13.711 -4.579 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.329 -13.812 -4.994 1.00 0.00 C ATOM 2010 CG PHE A 122 -3.899 -13.713 -6.383 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -3.909 -12.504 -7.057 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -4.429 -14.829 -7.012 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -4.433 -12.408 -8.332 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -4.956 -14.740 -8.286 1.00 0.00 C ATOM 2015 CZ PHE A 122 -4.959 -13.526 -8.947 1.00 0.00 C ATOM 0 H PHE A 122 -2.605 -13.659 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.407 -12.129 -4.202 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -2.344 -13.345 -4.983 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.186 -14.864 -4.745 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -3.502 -11.625 -6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.430 -15.780 -6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -4.431 -11.459 -8.847 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.365 -15.618 -8.765 1.00 0.00 H new ATOM 0 HZ PHE A 122 -5.372 -13.453 -9.942 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.623 -14.732 -2.749 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.814 -15.533 -2.480 1.00 0.00 C ATOM 2027 C ASP A 123 -7.895 -14.692 -1.798 1.00 0.00 C ATOM 2028 O ASP A 123 -8.967 -15.198 -1.460 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.453 -16.716 -1.574 1.00 0.00 C ATOM 2030 CG ASP A 123 -5.170 -17.412 -1.988 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -4.080 -16.960 -1.562 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -5.236 -18.414 -2.726 1.00 0.00 O ATOM 0 H ASP A 123 -4.873 -14.868 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.199 -15.898 -3.432 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.353 -16.363 -0.548 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.270 -17.437 -1.585 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.591 -13.407 -1.587 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.493 -12.467 -0.899 1.00 0.00 C ATOM 2039 C ASN A 124 -8.611 -12.795 0.587 1.00 0.00 C ATOM 2040 O ASN A 124 -9.508 -12.306 1.273 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.890 -12.430 -1.538 1.00 0.00 C ATOM 2042 CG ASN A 124 -9.933 -11.612 -2.816 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.127 -10.394 -2.781 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -9.768 -12.269 -3.953 1.00 0.00 N ATOM 0 H ASN A 124 -6.712 -12.985 -1.888 1.00 0.00 H new ATOM 0 HA ASN A 124 -8.047 -11.478 -1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -10.213 -13.449 -1.753 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -10.600 -12.015 -0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -9.799 -11.768 -4.841 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -9.610 -13.277 -3.941 1.00 0.00 H new ATOM 2051 N SER A 125 -7.693 -13.609 1.083 1.00 0.00 N ATOM 2052 CA SER A 125 -7.661 -13.957 2.493 1.00 0.00 C ATOM 2053 C SER A 125 -6.823 -12.940 3.263 1.00 0.00 C ATOM 2054 O SER A 125 -5.758 -12.530 2.801 1.00 0.00 O ATOM 2055 CB SER A 125 -7.080 -15.361 2.668 1.00 0.00 C ATOM 2056 OG SER A 125 -7.683 -16.272 1.766 1.00 0.00 O ATOM 0 H SER A 125 -6.957 -14.043 0.526 1.00 0.00 H new ATOM 0 HA SER A 125 -8.677 -13.944 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.003 -15.337 2.502 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.237 -15.699 3.692 1.00 0.00 H new ATOM 0 HG SER A 125 -7.296 -17.163 1.894 1.00 0.00 H new ATOM 2062 N LEU A 126 -7.312 -12.526 4.423 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.625 -11.532 5.234 1.00 0.00 C ATOM 2064 C LEU A 126 -5.627 -12.197 6.172 1.00 0.00 C ATOM 2065 O LEU A 126 -5.998 -13.026 7.005 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.643 -10.714 6.035 1.00 0.00 C ATOM 2067 CG LEU A 126 -7.060 -9.596 6.900 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.280 -8.610 6.047 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -8.168 -8.879 7.649 1.00 0.00 C ATOM 0 H LEU A 126 -8.186 -12.865 4.825 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.076 -10.864 4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.358 -10.275 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.202 -11.393 6.679 1.00 0.00 H new ATOM 0 HG LEU A 126 -6.377 -10.042 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.873 -7.822 6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.464 -9.129 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.943 -8.170 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.739 -8.086 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.870 -8.448 6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.692 -9.588 8.290 1.00 0.00 H new ATOM 2081 N LEU A 127 -4.357 -11.841 6.026 1.00 0.00 N ATOM 2082 CA LEU A 127 -3.314 -12.403 6.871 1.00 0.00 C ATOM 2083 C LEU A 127 -3.031 -11.503 8.064 1.00 0.00 C ATOM 2084 O LEU A 127 -2.915 -11.977 9.196 1.00 0.00 O ATOM 2085 CB LEU A 127 -2.013 -12.618 6.095 1.00 0.00 C ATOM 2086 CG LEU A 127 -2.038 -13.725 5.039 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -2.557 -13.196 3.712 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -0.650 -14.325 4.879 1.00 0.00 C ATOM 0 H LEU A 127 -4.027 -11.169 5.334 1.00 0.00 H new ATOM 0 HA LEU A 127 -3.682 -13.368 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.746 -11.682 5.605 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.220 -12.842 6.809 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.718 -14.509 5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.565 -14.001 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.569 -12.814 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.909 -12.393 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -0.678 -15.112 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 127 0.048 -13.548 4.567 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -0.323 -14.745 5.830 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.922 -10.204 7.814 1.00 0.00 N ATOM 2101 CA PHE A 128 -2.491 -9.284 8.853 1.00 0.00 C ATOM 2102 C PHE A 128 -3.288 -7.986 8.817 1.00 0.00 C ATOM 2103 O PHE A 128 -3.500 -7.401 7.754 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.999 -8.984 8.685 1.00 0.00 C ATOM 2105 CG PHE A 128 -0.332 -8.453 9.926 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.205 -9.327 10.857 1.00 0.00 C ATOM 2107 CD2 PHE A 128 -0.231 -7.091 10.157 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.826 -8.855 11.996 1.00 0.00 C ATOM 2109 CE2 PHE A 128 0.390 -6.611 11.296 1.00 0.00 C ATOM 2110 CZ PHE A 128 0.918 -7.493 12.217 1.00 0.00 C ATOM 0 H PHE A 128 -3.123 -9.770 6.913 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.667 -9.756 9.819 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -0.489 -9.896 8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.874 -8.259 7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.137 -10.392 10.690 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.642 -6.396 9.440 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.239 -9.548 12.713 1.00 0.00 H new ATOM 0 HE2 PHE A 128 0.462 -5.547 11.465 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.402 -7.120 13.108 1.00 0.00 H new ATOM 2120 N THR A 129 -3.745 -7.559 9.985 1.00 0.00 N ATOM 2121 CA THR A 129 -4.372 -6.257 10.138 1.00 0.00 C ATOM 2122 C THR A 129 -3.433 -5.325 10.899 1.00 0.00 C ATOM 2123 O THR A 129 -3.222 -5.485 12.100 1.00 0.00 O ATOM 2124 CB THR A 129 -5.715 -6.356 10.892 1.00 0.00 C ATOM 2125 OG1 THR A 129 -6.582 -7.287 10.226 1.00 0.00 O ATOM 2126 CG2 THR A 129 -6.395 -4.997 10.976 1.00 0.00 C ATOM 0 H THR A 129 -3.692 -8.102 10.847 1.00 0.00 H new ATOM 0 HA THR A 129 -4.571 -5.862 9.142 1.00 0.00 H new ATOM 0 HB THR A 129 -5.511 -6.704 11.905 1.00 0.00 H new ATOM 0 HG1 THR A 129 -7.432 -7.346 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 129 -7.339 -5.095 11.512 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.748 -4.298 11.506 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.586 -4.623 9.970 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.849 -4.375 10.191 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.908 -3.448 10.793 1.00 0.00 C ATOM 2136 C GLU A 130 -2.578 -2.101 11.035 1.00 0.00 C ATOM 2137 O GLU A 130 -3.364 -1.642 10.216 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.703 -3.264 9.873 1.00 0.00 C ATOM 2139 CG GLU A 130 0.421 -2.456 10.486 1.00 0.00 C ATOM 2140 CD GLU A 130 1.366 -1.912 9.443 1.00 0.00 C ATOM 2141 OE1 GLU A 130 2.251 -2.658 8.977 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.218 -0.733 9.071 1.00 0.00 O ATOM 0 H GLU A 130 -3.011 -4.225 9.195 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.575 -3.855 11.748 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.320 -4.245 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -1.030 -2.775 8.956 1.00 0.00 H new ATOM 0 HG2 GLU A 130 0.001 -1.630 11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.976 -3.081 11.186 1.00 0.00 H new ATOM 2149 N SER A 131 -2.284 -1.474 12.158 1.00 0.00 N ATOM 2150 CA SER A 131 -2.811 -0.153 12.437 1.00 0.00 C ATOM 2151 C SER A 131 -1.703 0.881 12.274 1.00 0.00 C ATOM 2152 O SER A 131 -0.647 0.773 12.900 1.00 0.00 O ATOM 2153 CB SER A 131 -3.404 -0.099 13.847 1.00 0.00 C ATOM 2154 OG SER A 131 -4.160 1.087 14.045 1.00 0.00 O ATOM 0 H SER A 131 -1.685 -1.857 12.889 1.00 0.00 H new ATOM 0 HA SER A 131 -3.610 0.072 11.730 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.040 -0.969 14.010 1.00 0.00 H new ATOM 0 HB3 SER A 131 -2.602 -0.148 14.583 1.00 0.00 H new ATOM 0 HG SER A 131 -4.418 1.460 13.176 1.00 0.00 H new ATOM 2160 N ILE A 132 -1.941 1.870 11.426 1.00 0.00 N ATOM 2161 CA ILE A 132 -0.932 2.878 11.138 1.00 0.00 C ATOM 2162 C ILE A 132 -0.925 3.978 12.192 1.00 0.00 C ATOM 2163 O ILE A 132 -1.532 5.035 12.023 1.00 0.00 O ATOM 2164 CB ILE A 132 -1.106 3.492 9.732 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -2.576 3.840 9.460 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -0.574 2.535 8.678 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -2.812 4.475 8.106 1.00 0.00 C ATOM 0 H ILE A 132 -2.821 1.996 10.926 1.00 0.00 H new ATOM 0 HA ILE A 132 0.030 2.366 11.163 1.00 0.00 H new ATOM 0 HB ILE A 132 -0.533 4.418 9.686 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -3.175 2.932 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.929 4.519 10.236 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -0.701 2.976 7.689 1.00 0.00 H new ATOM 0 HG22 ILE A 132 0.484 2.347 8.859 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.124 1.595 8.729 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -3.873 4.692 7.986 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -2.241 5.401 8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.491 3.789 7.322 1.00 0.00 H new ATOM 2179 N GLN A 133 -0.249 3.699 13.297 1.00 0.00 N ATOM 2180 CA GLN A 133 -0.106 4.646 14.387 1.00 0.00 C ATOM 2181 C GLN A 133 0.973 4.157 15.342 1.00 0.00 C ATOM 2182 O GLN A 133 1.533 3.078 15.148 1.00 0.00 O ATOM 2183 CB GLN A 133 -1.436 4.832 15.125 1.00 0.00 C ATOM 2184 CG GLN A 133 -1.996 3.550 15.724 1.00 0.00 C ATOM 2185 CD GLN A 133 -3.390 3.735 16.294 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -4.161 4.631 15.696 1.00 0.00 O flip ATOM 2187 NE2 GLN A 133 -3.775 3.075 17.257 1.00 0.00 N flip ATOM 0 H GLN A 133 0.216 2.806 13.461 1.00 0.00 H new ATOM 0 HA GLN A 133 0.186 5.614 13.980 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -1.299 5.563 15.922 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -2.169 5.248 14.433 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -2.020 2.775 14.958 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -1.329 3.199 16.511 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -3.151 2.394 17.691 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -4.718 3.208 17.622 1.00 0.00 H new