USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1097 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 75 MET CE :methyl -152:sc= -0.202 (180deg=-1.25) USER MOD Set 1.2: A 95 MET CE :methyl -177:sc= 0 (180deg=-0.037) USER MOD Set 2.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 131 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 46 GLN : amide:sc=-0.00309 X(o=-0.0031,f=-0.11) USER MOD Set 3.2: A 48 HIS : no HD1:sc= 0 X(o=-0.0031,f=-0.11) USER MOD Set 4.1: A 40 TYR OH : rot -10:sc= 0.385 USER MOD Set 4.2: A 42 GLN : amide:sc= 0.33 K(o=0.71,f=-0.29) USER MOD Set 5.1: A 32 SER OG : rot 131:sc= 0.399 USER MOD Set 5.2: A 126 ASN :FLIP amide:sc= 0.376 F(o=0.042,f=0.78) USER MOD Single : A 3 SER OG : rot 180:sc= -0.0026 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 90:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -117:sc= 0.0634 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.515 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot -62:sc= 0.399 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 38 ASN : amide:sc= -0.282 X(o=-0.28,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.112 K(o=-0.11,f=-5.5!) USER MOD Single : A 58 TYR OH : rot 28:sc= -0.461 USER MOD Single : A 59 CYS SG : rot 30:sc= 0.0824 USER MOD Single : A 69 THR OG1 : rot 90:sc= 0.564 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.119) USER MOD Single : A 72 HIS : no HE2:sc= -0.787 K(o=-0.79,f=-5.6!) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.022) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= -0.0258 X(o=-0.026,f=-0.0029) USER MOD Single : A 102 ASN : amide:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc=-0.00153 X(o=-0.0015,f=-0.12) USER MOD Single : A 115 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -118:sc= 0.0291 (180deg=0) USER MOD Single : A 136 SER OG : rot 35:sc= 1.19 USER MOD Single : A 137 ASN : amide:sc= 0.58 K(o=0.58,f=-0.0028) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 3.734 -1.065 -3.682 1.00 0.00 N ATOM 2 CA GLY A -1 2.885 -0.080 -2.968 1.00 0.00 C ATOM 3 C GLY A -1 2.223 0.911 -3.917 1.00 0.00 C ATOM 4 O GLY A -1 2.604 1.017 -5.083 1.00 0.00 O ATOM 0 H1 GLY A -1 3.350 -2.021 -3.540 1.00 0.00 H new ATOM 0 H2 GLY A -1 3.744 -0.843 -4.698 1.00 0.00 H new ATOM 0 H3 GLY A -1 4.704 -1.022 -3.309 1.00 0.00 H new ATOM 0 HA2 GLY A -1 2.116 -0.608 -2.404 1.00 0.00 H new ATOM 0 HA3 GLY A -1 3.493 0.464 -2.245 1.00 0.00 H new ATOM 8 N GLY A 0 1.231 1.654 -3.417 1.00 0.00 N ATOM 9 CA GLY A 0 0.424 2.639 -4.142 1.00 0.00 C ATOM 10 C GLY A 0 0.162 3.900 -3.308 1.00 0.00 C ATOM 11 O GLY A 0 0.374 3.902 -2.094 1.00 0.00 O ATOM 0 H GLY A 0 0.954 1.579 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 0 0.934 2.915 -5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -0.527 2.189 -4.426 1.00 0.00 H new ATOM 15 N ALA A 1 -0.270 4.975 -3.969 1.00 0.00 N ATOM 16 CA ALA A 1 -0.462 6.307 -3.378 1.00 0.00 C ATOM 17 C ALA A 1 -1.349 7.225 -4.257 1.00 0.00 C ATOM 18 O ALA A 1 -1.793 6.833 -5.340 1.00 0.00 O ATOM 19 CB ALA A 1 0.930 6.902 -3.136 1.00 0.00 C ATOM 0 H ALA A 1 -0.504 4.945 -4.961 1.00 0.00 H new ATOM 0 HA ALA A 1 -1.003 6.221 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.830 7.894 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.488 6.258 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.463 6.977 -4.084 1.00 0.00 H new ATOM 25 N LEU A 2 -1.592 8.456 -3.787 1.00 0.00 N ATOM 26 CA LEU A 2 -2.501 9.444 -4.382 1.00 0.00 C ATOM 27 C LEU A 2 -1.728 10.682 -4.869 1.00 0.00 C ATOM 28 O LEU A 2 -0.693 11.034 -4.297 1.00 0.00 O ATOM 29 CB LEU A 2 -3.541 9.892 -3.334 1.00 0.00 C ATOM 30 CG LEU A 2 -4.448 8.840 -2.664 1.00 0.00 C ATOM 31 CD1 LEU A 2 -5.114 7.900 -3.671 1.00 0.00 C ATOM 32 CD2 LEU A 2 -3.751 8.060 -1.554 1.00 0.00 C ATOM 0 H LEU A 2 -1.139 8.806 -2.943 1.00 0.00 H new ATOM 0 HA LEU A 2 -2.997 8.976 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.002 10.411 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.190 10.626 -3.812 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.242 9.417 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.739 7.182 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -5.730 8.480 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -4.347 7.367 -4.233 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.446 7.337 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.888 7.535 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -3.420 8.749 -0.777 1.00 0.00 H new ATOM 44 N SER A 3 -2.215 11.361 -5.911 1.00 0.00 N ATOM 45 CA SER A 3 -1.581 12.586 -6.433 1.00 0.00 C ATOM 46 C SER A 3 -1.720 13.770 -5.463 1.00 0.00 C ATOM 47 O SER A 3 -2.578 13.767 -4.578 1.00 0.00 O ATOM 48 CB SER A 3 -2.182 12.933 -7.800 1.00 0.00 C ATOM 49 OG SER A 3 -1.440 13.967 -8.422 1.00 0.00 O ATOM 0 H SER A 3 -3.055 11.083 -6.418 1.00 0.00 H new ATOM 0 HA SER A 3 -0.514 12.392 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.187 12.048 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.219 13.245 -7.679 1.00 0.00 H new ATOM 0 HG SER A 3 -1.836 14.175 -9.294 1.00 0.00 H new ATOM 55 N TYR A 4 -0.919 14.824 -5.657 1.00 0.00 N ATOM 56 CA TYR A 4 -1.039 16.092 -4.922 1.00 0.00 C ATOM 57 C TYR A 4 -2.479 16.631 -4.934 1.00 0.00 C ATOM 58 O TYR A 4 -3.002 17.037 -3.900 1.00 0.00 O ATOM 59 CB TYR A 4 -0.086 17.125 -5.541 1.00 0.00 C ATOM 60 CG TYR A 4 -0.135 18.495 -4.890 1.00 0.00 C ATOM 61 CD1 TYR A 4 -1.062 19.456 -5.339 1.00 0.00 C ATOM 62 CD2 TYR A 4 0.740 18.810 -3.831 1.00 0.00 C ATOM 63 CE1 TYR A 4 -1.131 20.718 -4.720 1.00 0.00 C ATOM 64 CE2 TYR A 4 0.672 20.069 -3.203 1.00 0.00 C ATOM 65 CZ TYR A 4 -0.264 21.030 -3.650 1.00 0.00 C ATOM 66 OH TYR A 4 -0.325 22.257 -3.065 1.00 0.00 O ATOM 0 H TYR A 4 -0.159 14.822 -6.337 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.771 15.908 -3.882 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.933 16.743 -5.479 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.323 17.231 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.722 19.223 -6.161 1.00 0.00 H new ATOM 0 HD2 TYR A 4 1.466 18.083 -3.499 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.848 21.449 -5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 4 1.334 20.300 -2.381 1.00 0.00 H new ATOM 0 HH TYR A 4 0.337 22.309 -2.344 1.00 0.00 H new ATOM 76 N GLU A 5 -3.133 16.582 -6.099 1.00 0.00 N ATOM 77 CA GLU A 5 -4.494 17.104 -6.328 1.00 0.00 C ATOM 78 C GLU A 5 -5.585 16.413 -5.496 1.00 0.00 C ATOM 79 O GLU A 5 -6.700 16.926 -5.388 1.00 0.00 O ATOM 80 CB GLU A 5 -4.860 16.970 -7.812 1.00 0.00 C ATOM 81 CG GLU A 5 -3.846 17.663 -8.722 1.00 0.00 C ATOM 82 CD GLU A 5 -4.402 17.809 -10.150 1.00 0.00 C ATOM 83 OE1 GLU A 5 -4.293 16.851 -10.953 1.00 0.00 O ATOM 84 OE2 GLU A 5 -4.964 18.884 -10.478 1.00 0.00 O ATOM 0 H GLU A 5 -2.723 16.167 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.463 18.147 -6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -4.920 15.914 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.848 17.397 -7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.602 18.646 -8.320 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.919 17.089 -8.745 1.00 0.00 H new ATOM 91 N THR A 6 -5.279 15.248 -4.925 1.00 0.00 N ATOM 92 CA THR A 6 -6.185 14.501 -4.040 1.00 0.00 C ATOM 93 C THR A 6 -6.345 15.211 -2.689 1.00 0.00 C ATOM 94 O THR A 6 -5.463 15.154 -1.828 1.00 0.00 O ATOM 95 CB THR A 6 -5.722 13.049 -3.864 1.00 0.00 C ATOM 96 OG1 THR A 6 -5.645 12.411 -5.127 1.00 0.00 O ATOM 97 CG2 THR A 6 -6.708 12.239 -3.025 1.00 0.00 C ATOM 0 H THR A 6 -4.381 14.786 -5.064 1.00 0.00 H new ATOM 0 HA THR A 6 -7.166 14.472 -4.514 1.00 0.00 H new ATOM 0 HB THR A 6 -4.752 13.086 -3.368 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.746 12.530 -5.499 1.00 0.00 H new ATOM 0 HG21 THR A 6 -6.345 11.216 -2.923 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.802 12.691 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.682 12.231 -3.515 1.00 0.00 H new ATOM 105 N GLU A 7 -7.469 15.908 -2.499 1.00 0.00 N ATOM 106 CA GLU A 7 -7.754 16.662 -1.271 1.00 0.00 C ATOM 107 C GLU A 7 -8.401 15.784 -0.191 1.00 0.00 C ATOM 108 O GLU A 7 -9.325 15.009 -0.466 1.00 0.00 O ATOM 109 CB GLU A 7 -8.669 17.865 -1.544 1.00 0.00 C ATOM 110 CG GLU A 7 -8.170 18.758 -2.688 1.00 0.00 C ATOM 111 CD GLU A 7 -8.878 20.128 -2.725 1.00 0.00 C ATOM 112 OE1 GLU A 7 -10.104 20.209 -2.465 1.00 0.00 O ATOM 113 OE2 GLU A 7 -8.211 21.143 -3.041 1.00 0.00 O ATOM 0 H GLU A 7 -8.212 15.966 -3.196 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.789 17.016 -0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.670 17.505 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.753 18.462 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.096 18.911 -2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.327 18.247 -3.638 1.00 0.00 H new ATOM 120 N ILE A 8 -7.948 15.960 1.051 1.00 0.00 N ATOM 121 CA ILE A 8 -8.328 15.168 2.225 1.00 0.00 C ATOM 122 C ILE A 8 -8.888 16.125 3.277 1.00 0.00 C ATOM 123 O ILE A 8 -8.198 17.044 3.711 1.00 0.00 O ATOM 124 CB ILE A 8 -7.107 14.395 2.786 1.00 0.00 C ATOM 125 CG1 ILE A 8 -6.341 13.576 1.726 1.00 0.00 C ATOM 126 CG2 ILE A 8 -7.510 13.491 3.967 1.00 0.00 C ATOM 127 CD1 ILE A 8 -7.169 12.547 0.954 1.00 0.00 C ATOM 0 H ILE A 8 -7.275 16.692 1.278 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.081 14.429 1.949 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.420 15.165 3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.897 14.268 1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.519 13.057 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.631 12.963 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.930 14.102 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.254 12.768 3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.531 12.031 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.592 11.823 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.975 13.053 0.423 1.00 0.00 H new ATOM 139 N LEU A 9 -10.152 15.939 3.664 1.00 0.00 N ATOM 140 CA LEU A 9 -10.762 16.714 4.750 1.00 0.00 C ATOM 141 C LEU A 9 -10.079 16.411 6.104 1.00 0.00 C ATOM 142 O LEU A 9 -9.972 15.248 6.509 1.00 0.00 O ATOM 143 CB LEU A 9 -12.285 16.455 4.762 1.00 0.00 C ATOM 144 CG LEU A 9 -13.110 17.652 5.281 1.00 0.00 C ATOM 145 CD1 LEU A 9 -14.543 17.594 4.752 1.00 0.00 C ATOM 146 CD2 LEU A 9 -13.218 17.734 6.793 1.00 0.00 C ATOM 0 H LEU A 9 -10.777 15.254 3.239 1.00 0.00 H new ATOM 0 HA LEU A 9 -10.609 17.780 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.612 16.210 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -12.492 15.584 5.384 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.565 18.525 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.105 18.447 5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.530 17.623 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.017 16.671 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.814 18.604 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.696 16.831 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.221 17.826 7.225 1.00 0.00 H new ATOM 158 N THR A 10 -9.648 17.458 6.818 1.00 0.00 N ATOM 159 CA THR A 10 -9.003 17.390 8.144 1.00 0.00 C ATOM 160 C THR A 10 -9.721 18.251 9.186 1.00 0.00 C ATOM 161 O THR A 10 -10.409 19.217 8.854 1.00 0.00 O ATOM 162 CB THR A 10 -7.511 17.786 8.095 1.00 0.00 C ATOM 163 OG1 THR A 10 -7.335 19.156 7.811 1.00 0.00 O ATOM 164 CG2 THR A 10 -6.707 16.982 7.075 1.00 0.00 C ATOM 0 H THR A 10 -9.741 18.415 6.478 1.00 0.00 H new ATOM 0 HA THR A 10 -9.075 16.345 8.445 1.00 0.00 H new ATOM 0 HB THR A 10 -7.136 17.561 9.093 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.378 19.366 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.668 17.310 7.091 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.758 15.922 7.326 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.121 17.140 6.079 1.00 0.00 H new ATOM 172 N VAL A 11 -9.560 17.904 10.468 1.00 0.00 N ATOM 173 CA VAL A 11 -10.129 18.683 11.592 1.00 0.00 C ATOM 174 C VAL A 11 -9.255 19.895 11.943 1.00 0.00 C ATOM 175 O VAL A 11 -9.765 20.952 12.319 1.00 0.00 O ATOM 176 CB VAL A 11 -10.339 17.807 12.848 1.00 0.00 C ATOM 177 CG1 VAL A 11 -11.147 18.530 13.935 1.00 0.00 C ATOM 178 CG2 VAL A 11 -11.086 16.504 12.543 1.00 0.00 C ATOM 0 H VAL A 11 -9.035 17.080 10.763 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.101 19.043 11.256 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.329 17.591 13.197 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.267 17.873 14.796 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.620 19.434 14.239 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -12.128 18.797 13.542 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.205 15.929 13.461 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -12.068 16.736 12.130 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.517 15.919 11.820 1.00 0.00 H new ATOM 188 N GLU A 12 -7.934 19.761 11.793 1.00 0.00 N ATOM 189 CA GLU A 12 -6.958 20.812 12.130 1.00 0.00 C ATOM 190 C GLU A 12 -6.952 22.000 11.154 1.00 0.00 C ATOM 191 O GLU A 12 -6.601 23.115 11.554 1.00 0.00 O ATOM 192 CB GLU A 12 -5.551 20.194 12.187 1.00 0.00 C ATOM 193 CG GLU A 12 -5.176 19.732 13.602 1.00 0.00 C ATOM 194 CD GLU A 12 -4.980 20.917 14.569 1.00 0.00 C ATOM 195 OE1 GLU A 12 -3.931 21.604 14.497 1.00 0.00 O ATOM 196 OE2 GLU A 12 -5.868 21.167 15.421 1.00 0.00 O ATOM 0 H GLU A 12 -7.503 18.911 11.430 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.258 21.213 13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.501 19.345 11.505 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.821 20.925 11.840 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.957 19.076 13.987 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.259 19.145 13.559 1.00 0.00 H new ATOM 203 N TYR A 13 -7.366 21.784 9.898 1.00 0.00 N ATOM 204 CA TYR A 13 -7.382 22.815 8.850 1.00 0.00 C ATOM 205 C TYR A 13 -8.649 22.783 7.988 1.00 0.00 C ATOM 206 O TYR A 13 -9.314 23.813 7.847 1.00 0.00 O ATOM 207 CB TYR A 13 -6.142 22.657 7.953 1.00 0.00 C ATOM 208 CG TYR A 13 -4.844 23.129 8.582 1.00 0.00 C ATOM 209 CD1 TYR A 13 -4.611 24.512 8.727 1.00 0.00 C ATOM 210 CD2 TYR A 13 -3.870 22.203 9.006 1.00 0.00 C ATOM 211 CE1 TYR A 13 -3.407 24.972 9.293 1.00 0.00 C ATOM 212 CE2 TYR A 13 -2.664 22.660 9.572 1.00 0.00 C ATOM 213 CZ TYR A 13 -2.430 24.045 9.715 1.00 0.00 C ATOM 214 OH TYR A 13 -1.259 24.483 10.256 1.00 0.00 O ATOM 0 H TYR A 13 -7.704 20.877 9.577 1.00 0.00 H new ATOM 0 HA TYR A 13 -7.371 23.780 9.356 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -6.038 21.607 7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.305 23.211 7.029 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.359 25.221 8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.048 21.143 8.897 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.231 26.032 9.404 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.918 21.950 9.897 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.700 23.714 10.493 1.00 0.00 H new ATOM 224 N GLY A 14 -8.984 21.630 7.405 1.00 0.00 N ATOM 225 CA GLY A 14 -10.091 21.480 6.458 1.00 0.00 C ATOM 226 C GLY A 14 -9.686 20.697 5.210 1.00 0.00 C ATOM 227 O GLY A 14 -8.882 19.771 5.259 1.00 0.00 O ATOM 0 H GLY A 14 -8.484 20.758 7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.920 20.971 6.950 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.451 22.466 6.164 1.00 0.00 H new ATOM 231 N LEU A 15 -10.279 21.064 4.080 1.00 0.00 N ATOM 232 CA LEU A 15 -10.016 20.512 2.750 1.00 0.00 C ATOM 233 C LEU A 15 -8.674 21.024 2.198 1.00 0.00 C ATOM 234 O LEU A 15 -8.560 22.193 1.813 1.00 0.00 O ATOM 235 CB LEU A 15 -11.177 20.957 1.842 1.00 0.00 C ATOM 236 CG LEU A 15 -12.527 20.321 2.216 1.00 0.00 C ATOM 237 CD1 LEU A 15 -13.662 21.101 1.555 1.00 0.00 C ATOM 238 CD2 LEU A 15 -12.546 18.852 1.793 1.00 0.00 C ATOM 0 H LEU A 15 -10.993 21.792 4.062 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.949 19.425 2.793 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.270 22.042 1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.938 20.703 0.809 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.665 20.363 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -14.617 20.649 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.641 22.135 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.538 21.076 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.505 18.409 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.403 18.782 0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.744 18.317 2.301 1.00 0.00 H new ATOM 250 N LEU A 16 -7.660 20.157 2.155 1.00 0.00 N ATOM 251 CA LEU A 16 -6.334 20.465 1.610 1.00 0.00 C ATOM 252 C LEU A 16 -5.645 19.257 0.925 1.00 0.00 C ATOM 253 O LEU A 16 -6.006 18.107 1.194 1.00 0.00 O ATOM 254 CB LEU A 16 -5.471 21.146 2.686 1.00 0.00 C ATOM 255 CG LEU A 16 -5.513 20.617 4.125 1.00 0.00 C ATOM 256 CD1 LEU A 16 -5.310 19.117 4.198 1.00 0.00 C ATOM 257 CD2 LEU A 16 -4.367 21.283 4.882 1.00 0.00 C ATOM 0 H LEU A 16 -7.738 19.202 2.505 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.465 21.175 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.435 21.103 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.753 22.198 2.715 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.492 20.841 4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.349 18.795 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.096 18.616 3.633 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.339 18.860 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.361 20.933 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.420 21.028 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.501 22.365 4.867 1.00 0.00 H new ATOM 269 N PRO A 17 -4.686 19.493 0.006 1.00 0.00 N ATOM 270 CA PRO A 17 -4.019 18.446 -0.777 1.00 0.00 C ATOM 271 C PRO A 17 -3.115 17.543 0.078 1.00 0.00 C ATOM 272 O PRO A 17 -2.278 18.033 0.840 1.00 0.00 O ATOM 273 CB PRO A 17 -3.216 19.196 -1.849 1.00 0.00 C ATOM 274 CG PRO A 17 -2.997 20.589 -1.277 1.00 0.00 C ATOM 275 CD PRO A 17 -4.247 20.812 -0.440 1.00 0.00 C ATOM 0 HA PRO A 17 -4.749 17.763 -1.212 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.267 18.699 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.761 19.238 -2.792 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.091 20.640 -0.672 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.898 21.338 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.034 21.459 0.411 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.024 21.302 -1.026 1.00 0.00 H new ATOM 283 N ILE A 18 -3.226 16.217 -0.093 1.00 0.00 N ATOM 284 CA ILE A 18 -2.373 15.226 0.595 1.00 0.00 C ATOM 285 C ILE A 18 -0.877 15.452 0.351 1.00 0.00 C ATOM 286 O ILE A 18 -0.066 15.266 1.260 1.00 0.00 O ATOM 287 CB ILE A 18 -2.780 13.783 0.222 1.00 0.00 C ATOM 288 CG1 ILE A 18 -2.072 12.769 1.149 1.00 0.00 C ATOM 289 CG2 ILE A 18 -2.531 13.452 -1.259 1.00 0.00 C ATOM 290 CD1 ILE A 18 -2.652 11.354 1.060 1.00 0.00 C ATOM 0 H ILE A 18 -3.914 15.795 -0.717 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.540 15.369 1.663 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.857 13.707 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.012 12.736 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.143 13.119 2.179 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.837 12.425 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.109 14.131 -1.886 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.470 13.565 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.108 10.695 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.705 11.374 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.556 10.985 0.039 1.00 0.00 H new ATOM 302 N GLY A 19 -0.499 15.911 -0.844 1.00 0.00 N ATOM 303 CA GLY A 19 0.906 16.141 -1.177 1.00 0.00 C ATOM 304 C GLY A 19 1.546 17.230 -0.320 1.00 0.00 C ATOM 305 O GLY A 19 2.698 17.088 0.077 1.00 0.00 O ATOM 0 H GLY A 19 -1.149 16.131 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.462 15.212 -1.050 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.985 16.419 -2.228 1.00 0.00 H new ATOM 309 N LYS A 20 0.790 18.268 0.064 1.00 0.00 N ATOM 310 CA LYS A 20 1.277 19.333 0.954 1.00 0.00 C ATOM 311 C LYS A 20 1.445 18.842 2.394 1.00 0.00 C ATOM 312 O LYS A 20 2.375 19.258 3.080 1.00 0.00 O ATOM 313 CB LYS A 20 0.323 20.535 0.853 1.00 0.00 C ATOM 314 CG LYS A 20 0.883 21.803 1.514 1.00 0.00 C ATOM 315 CD LYS A 20 0.019 23.021 1.159 1.00 0.00 C ATOM 316 CE LYS A 20 0.605 24.292 1.787 1.00 0.00 C ATOM 317 NZ LYS A 20 -0.119 25.511 1.335 1.00 0.00 N ATOM 0 H LYS A 20 -0.177 18.394 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 20 2.272 19.644 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.116 20.740 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.627 20.278 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.912 21.674 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.909 21.969 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.035 23.134 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.000 22.868 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.553 24.219 2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.659 24.376 1.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.304 26.351 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.048 25.594 0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.120 25.442 1.609 1.00 0.00 H new ATOM 331 N ILE A 21 0.597 17.906 2.832 1.00 0.00 N ATOM 332 CA ILE A 21 0.679 17.274 4.156 1.00 0.00 C ATOM 333 C ILE A 21 1.933 16.409 4.249 1.00 0.00 C ATOM 334 O ILE A 21 2.635 16.468 5.252 1.00 0.00 O ATOM 335 CB ILE A 21 -0.584 16.432 4.465 1.00 0.00 C ATOM 336 CG1 ILE A 21 -1.879 17.275 4.465 1.00 0.00 C ATOM 337 CG2 ILE A 21 -0.457 15.699 5.813 1.00 0.00 C ATOM 338 CD1 ILE A 21 -3.151 16.421 4.331 1.00 0.00 C ATOM 0 H ILE A 21 -0.179 17.559 2.268 1.00 0.00 H new ATOM 0 HA ILE A 21 0.737 18.066 4.902 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.655 15.701 3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.931 17.852 5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.840 17.991 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.361 15.118 5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.404 15.031 5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.324 16.428 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.027 17.070 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.118 15.864 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.210 15.723 5.166 1.00 0.00 H new ATOM 350 N VAL A 22 2.241 15.632 3.210 1.00 0.00 N ATOM 351 CA VAL A 22 3.364 14.683 3.202 1.00 0.00 C ATOM 352 C VAL A 22 4.705 15.355 2.867 1.00 0.00 C ATOM 353 O VAL A 22 5.717 15.022 3.481 1.00 0.00 O ATOM 354 CB VAL A 22 3.041 13.532 2.237 1.00 0.00 C ATOM 355 CG1 VAL A 22 4.199 12.550 2.064 1.00 0.00 C ATOM 356 CG2 VAL A 22 1.826 12.741 2.756 1.00 0.00 C ATOM 0 H VAL A 22 1.713 15.641 2.337 1.00 0.00 H new ATOM 0 HA VAL A 22 3.486 14.284 4.209 1.00 0.00 H new ATOM 0 HB VAL A 22 2.838 13.994 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.907 11.761 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.067 13.077 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.450 12.110 3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.601 11.926 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.052 12.332 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.964 13.404 2.827 1.00 0.00 H new ATOM 366 N GLU A 23 4.731 16.344 1.967 1.00 0.00 N ATOM 367 CA GLU A 23 5.947 17.123 1.658 1.00 0.00 C ATOM 368 C GLU A 23 6.428 17.973 2.843 1.00 0.00 C ATOM 369 O GLU A 23 7.626 18.243 2.956 1.00 0.00 O ATOM 370 CB GLU A 23 5.719 18.046 0.447 1.00 0.00 C ATOM 371 CG GLU A 23 5.706 17.300 -0.894 1.00 0.00 C ATOM 372 CD GLU A 23 7.136 16.988 -1.379 1.00 0.00 C ATOM 373 OE1 GLU A 23 7.710 15.944 -0.982 1.00 0.00 O ATOM 374 OE2 GLU A 23 7.709 17.799 -2.149 1.00 0.00 O ATOM 0 H GLU A 23 3.913 16.631 1.430 1.00 0.00 H new ATOM 0 HA GLU A 23 6.720 16.389 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.771 18.570 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.502 18.804 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.145 16.371 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.190 17.902 -1.642 1.00 0.00 H new ATOM 381 N LYS A 24 5.506 18.369 3.737 1.00 0.00 N ATOM 382 CA LYS A 24 5.788 19.248 4.891 1.00 0.00 C ATOM 383 C LYS A 24 5.557 18.567 6.254 1.00 0.00 C ATOM 384 O LYS A 24 5.738 19.203 7.294 1.00 0.00 O ATOM 385 CB LYS A 24 4.987 20.560 4.754 1.00 0.00 C ATOM 386 CG LYS A 24 5.145 21.297 3.409 1.00 0.00 C ATOM 387 CD LYS A 24 6.565 21.804 3.100 1.00 0.00 C ATOM 388 CE LYS A 24 7.119 22.809 4.123 1.00 0.00 C ATOM 389 NZ LYS A 24 6.360 24.092 4.133 1.00 0.00 N ATOM 0 H LYS A 24 4.528 18.085 3.680 1.00 0.00 H new ATOM 0 HA LYS A 24 6.853 19.479 4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.931 20.338 4.905 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.288 21.234 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.834 20.627 2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.463 22.147 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.239 20.949 3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.564 22.270 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.087 22.364 5.118 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.166 23.012 3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.773 24.734 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.411 24.533 3.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.366 23.905 4.375 1.00 0.00 H new ATOM 403 N ARG A 25 5.191 17.275 6.247 1.00 0.00 N ATOM 404 CA ARG A 25 4.878 16.411 7.409 1.00 0.00 C ATOM 405 C ARG A 25 3.940 17.094 8.414 1.00 0.00 C ATOM 406 O ARG A 25 4.253 17.237 9.599 1.00 0.00 O ATOM 407 CB ARG A 25 6.171 15.835 8.019 1.00 0.00 C ATOM 408 CG ARG A 25 6.930 14.938 7.016 1.00 0.00 C ATOM 409 CD ARG A 25 8.389 15.369 6.818 1.00 0.00 C ATOM 410 NE ARG A 25 9.250 14.955 7.946 1.00 0.00 N ATOM 411 CZ ARG A 25 10.557 15.137 8.043 1.00 0.00 C ATOM 412 NH1 ARG A 25 11.235 15.815 7.157 1.00 0.00 N ATOM 413 NH2 ARG A 25 11.220 14.631 9.045 1.00 0.00 N ATOM 0 H ARG A 25 5.098 16.765 5.368 1.00 0.00 H new ATOM 0 HA ARG A 25 4.303 15.553 7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.818 16.652 8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.926 15.257 8.910 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.905 13.906 7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.416 14.960 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.772 14.937 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.434 16.452 6.707 1.00 0.00 H new ATOM 0 HE ARG A 25 8.792 14.483 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.758 16.226 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.242 15.933 7.267 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.731 14.091 9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.227 14.775 9.114 1.00 0.00 H new ATOM 427 N ILE A 26 2.811 17.594 7.899 1.00 0.00 N ATOM 428 CA ILE A 26 1.850 18.415 8.651 1.00 0.00 C ATOM 429 C ILE A 26 1.054 17.532 9.621 1.00 0.00 C ATOM 430 O ILE A 26 0.355 16.603 9.209 1.00 0.00 O ATOM 431 CB ILE A 26 0.914 19.214 7.708 1.00 0.00 C ATOM 432 CG1 ILE A 26 1.746 20.041 6.700 1.00 0.00 C ATOM 433 CG2 ILE A 26 -0.015 20.128 8.529 1.00 0.00 C ATOM 434 CD1 ILE A 26 0.927 20.873 5.705 1.00 0.00 C ATOM 0 H ILE A 26 2.533 17.438 6.930 1.00 0.00 H new ATOM 0 HA ILE A 26 2.408 19.150 9.231 1.00 0.00 H new ATOM 0 HB ILE A 26 0.297 18.512 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.401 20.711 7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.388 19.362 6.139 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.667 20.684 7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.621 19.521 9.202 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.585 20.827 9.112 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.601 21.415 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.292 20.213 5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.305 21.583 6.250 1.00 0.00 H new ATOM 446 N GLU A 27 1.154 17.830 10.915 1.00 0.00 N ATOM 447 CA GLU A 27 0.401 17.147 11.973 1.00 0.00 C ATOM 448 C GLU A 27 -1.082 17.548 11.924 1.00 0.00 C ATOM 449 O GLU A 27 -1.445 18.680 12.253 1.00 0.00 O ATOM 450 CB GLU A 27 1.007 17.437 13.359 1.00 0.00 C ATOM 451 CG GLU A 27 2.468 16.975 13.462 1.00 0.00 C ATOM 452 CD GLU A 27 2.970 16.957 14.918 1.00 0.00 C ATOM 453 OE1 GLU A 27 2.861 17.990 15.624 1.00 0.00 O ATOM 454 OE2 GLU A 27 3.497 15.911 15.369 1.00 0.00 O ATOM 0 H GLU A 27 1.769 18.564 11.267 1.00 0.00 H new ATOM 0 HA GLU A 27 0.469 16.073 11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.951 18.507 13.562 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.415 16.936 14.125 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.563 15.977 13.034 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.100 17.637 12.870 1.00 0.00 H new ATOM 461 N CYS A 28 -1.940 16.617 11.493 1.00 0.00 N ATOM 462 CA CYS A 28 -3.382 16.839 11.344 1.00 0.00 C ATOM 463 C CYS A 28 -4.235 15.582 11.598 1.00 0.00 C ATOM 464 O CYS A 28 -3.761 14.445 11.563 1.00 0.00 O ATOM 465 CB CYS A 28 -3.672 17.457 9.960 1.00 0.00 C ATOM 466 SG CYS A 28 -2.935 16.486 8.607 1.00 0.00 S ATOM 0 H CYS A 28 -1.648 15.675 11.234 1.00 0.00 H new ATOM 0 HA CYS A 28 -3.681 17.540 12.123 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.750 17.524 9.812 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -3.282 18.475 9.929 1.00 0.00 H new ATOM 0 HG CYS A 28 -1.642 16.466 8.742 1.00 0.00 H new ATOM 472 N THR A 29 -5.520 15.817 11.860 1.00 0.00 N ATOM 473 CA THR A 29 -6.554 14.794 12.106 1.00 0.00 C ATOM 474 C THR A 29 -7.326 14.511 10.813 1.00 0.00 C ATOM 475 O THR A 29 -7.489 15.415 10.002 1.00 0.00 O ATOM 476 CB THR A 29 -7.552 15.285 13.178 1.00 0.00 C ATOM 477 OG1 THR A 29 -6.966 16.198 14.084 1.00 0.00 O ATOM 478 CG2 THR A 29 -8.141 14.163 14.027 1.00 0.00 C ATOM 0 H THR A 29 -5.892 16.765 11.910 1.00 0.00 H new ATOM 0 HA THR A 29 -6.061 13.886 12.454 1.00 0.00 H new ATOM 0 HB THR A 29 -8.338 15.760 12.591 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.635 16.482 14.741 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.832 14.584 14.757 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.674 13.462 13.385 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.338 13.640 14.547 1.00 0.00 H new ATOM 486 N VAL A 30 -7.871 13.308 10.632 1.00 0.00 N ATOM 487 CA VAL A 30 -8.612 12.877 9.421 1.00 0.00 C ATOM 488 C VAL A 30 -9.943 12.216 9.788 1.00 0.00 C ATOM 489 O VAL A 30 -10.173 11.928 10.962 1.00 0.00 O ATOM 490 CB VAL A 30 -7.763 11.939 8.531 1.00 0.00 C ATOM 491 CG1 VAL A 30 -6.470 12.618 8.078 1.00 0.00 C ATOM 492 CG2 VAL A 30 -7.414 10.599 9.196 1.00 0.00 C ATOM 0 H VAL A 30 -7.814 12.575 11.339 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.827 13.776 8.843 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.396 11.724 7.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.897 11.931 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.711 13.513 7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.879 12.894 8.951 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.818 9.997 8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.844 10.782 10.107 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.332 10.066 9.443 1.00 0.00 H new ATOM 502 N TYR A 31 -10.798 11.945 8.795 1.00 0.00 N ATOM 503 CA TYR A 31 -12.138 11.364 8.958 1.00 0.00 C ATOM 504 C TYR A 31 -12.219 9.972 8.314 1.00 0.00 C ATOM 505 O TYR A 31 -11.646 9.749 7.246 1.00 0.00 O ATOM 506 CB TYR A 31 -13.195 12.283 8.315 1.00 0.00 C ATOM 507 CG TYR A 31 -13.492 13.575 9.056 1.00 0.00 C ATOM 508 CD1 TYR A 31 -12.716 14.728 8.830 1.00 0.00 C ATOM 509 CD2 TYR A 31 -14.594 13.639 9.932 1.00 0.00 C ATOM 510 CE1 TYR A 31 -13.033 15.932 9.489 1.00 0.00 C ATOM 511 CE2 TYR A 31 -14.929 14.846 10.574 1.00 0.00 C ATOM 512 CZ TYR A 31 -14.147 15.999 10.351 1.00 0.00 C ATOM 513 OH TYR A 31 -14.477 17.175 10.948 1.00 0.00 O ATOM 0 H TYR A 31 -10.568 12.131 7.819 1.00 0.00 H new ATOM 0 HA TYR A 31 -12.333 11.268 10.026 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -12.865 12.533 7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -14.124 11.722 8.217 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -11.877 14.689 8.151 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -15.187 12.754 10.112 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.420 16.808 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.782 14.889 11.235 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.271 17.046 11.508 1.00 0.00 H new ATOM 523 N SER A 32 -12.941 9.048 8.949 1.00 0.00 N ATOM 524 CA SER A 32 -13.112 7.653 8.507 1.00 0.00 C ATOM 525 C SER A 32 -14.291 6.992 9.241 1.00 0.00 C ATOM 526 O SER A 32 -14.579 7.373 10.373 1.00 0.00 O ATOM 527 CB SER A 32 -11.829 6.882 8.851 1.00 0.00 C ATOM 528 OG SER A 32 -11.941 5.513 8.598 1.00 0.00 O ATOM 0 H SER A 32 -13.442 9.251 9.814 1.00 0.00 H new ATOM 0 HA SER A 32 -13.310 7.637 7.435 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.999 7.288 8.272 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.589 7.035 9.903 1.00 0.00 H new ATOM 0 HG SER A 32 -11.167 5.212 8.077 1.00 0.00 H new ATOM 534 N VAL A 33 -14.961 5.989 8.652 1.00 0.00 N ATOM 535 CA VAL A 33 -15.959 5.173 9.380 1.00 0.00 C ATOM 536 C VAL A 33 -15.316 4.061 10.219 1.00 0.00 C ATOM 537 O VAL A 33 -14.235 3.563 9.895 1.00 0.00 O ATOM 538 CB VAL A 33 -17.032 4.546 8.472 1.00 0.00 C ATOM 539 CG1 VAL A 33 -17.916 5.614 7.826 1.00 0.00 C ATOM 540 CG2 VAL A 33 -16.456 3.644 7.381 1.00 0.00 C ATOM 0 H VAL A 33 -14.834 5.720 7.676 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.448 5.890 10.040 1.00 0.00 H new ATOM 0 HB VAL A 33 -17.633 3.922 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.662 5.134 7.192 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -18.417 6.190 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -17.300 6.279 7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -17.268 3.237 6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -15.788 4.224 6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -15.900 2.827 7.840 1.00 0.00 H new ATOM 550 N ASP A 34 -16.018 3.634 11.271 1.00 0.00 N ATOM 551 CA ASP A 34 -15.681 2.476 12.114 1.00 0.00 C ATOM 552 C ASP A 34 -16.424 1.183 11.700 1.00 0.00 C ATOM 553 O ASP A 34 -17.165 1.147 10.711 1.00 0.00 O ATOM 554 CB ASP A 34 -15.935 2.835 13.595 1.00 0.00 C ATOM 555 CG ASP A 34 -17.400 2.830 14.043 1.00 0.00 C ATOM 556 OD1 ASP A 34 -18.305 2.895 13.182 1.00 0.00 O ATOM 557 OD2 ASP A 34 -17.648 2.710 15.265 1.00 0.00 O ATOM 0 H ASP A 34 -16.872 4.102 11.574 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.624 2.253 11.971 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -15.382 2.133 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.520 3.825 13.785 1.00 0.00 H new ATOM 562 N ASN A 35 -16.250 0.114 12.487 1.00 0.00 N ATOM 563 CA ASN A 35 -16.954 -1.171 12.316 1.00 0.00 C ATOM 564 C ASN A 35 -18.492 -1.086 12.482 1.00 0.00 C ATOM 565 O ASN A 35 -19.201 -2.023 12.105 1.00 0.00 O ATOM 566 CB ASN A 35 -16.363 -2.203 13.295 1.00 0.00 C ATOM 567 CG ASN A 35 -14.935 -2.602 12.955 1.00 0.00 C ATOM 568 OD1 ASN A 35 -14.609 -2.957 11.829 1.00 0.00 O ATOM 569 ND2 ASN A 35 -14.034 -2.570 13.913 1.00 0.00 N ATOM 0 H ASN A 35 -15.604 0.114 13.277 1.00 0.00 H new ATOM 0 HA ASN A 35 -16.795 -1.479 11.283 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -16.388 -1.793 14.304 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.992 -3.094 13.297 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.070 -2.840 13.716 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.299 -2.275 14.853 1.00 0.00 H new ATOM 576 N ASN A 36 -19.014 0.024 13.018 1.00 0.00 N ATOM 577 CA ASN A 36 -20.446 0.306 13.161 1.00 0.00 C ATOM 578 C ASN A 36 -20.982 1.220 12.032 1.00 0.00 C ATOM 579 O ASN A 36 -22.191 1.466 11.970 1.00 0.00 O ATOM 580 CB ASN A 36 -20.692 0.939 14.548 1.00 0.00 C ATOM 581 CG ASN A 36 -20.166 0.104 15.706 1.00 0.00 C ATOM 582 OD1 ASN A 36 -20.710 -0.934 16.057 1.00 0.00 O ATOM 583 ND2 ASN A 36 -19.103 0.538 16.347 1.00 0.00 N ATOM 0 H ASN A 36 -18.428 0.778 13.377 1.00 0.00 H new ATOM 0 HA ASN A 36 -20.993 -0.633 13.078 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -20.221 1.922 14.577 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -21.763 1.095 14.681 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -18.732 0.009 17.137 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -18.649 1.403 16.055 1.00 0.00 H new ATOM 590 N GLY A 37 -20.116 1.734 11.145 1.00 0.00 N ATOM 591 CA GLY A 37 -20.478 2.648 10.058 1.00 0.00 C ATOM 592 C GLY A 37 -20.578 4.125 10.471 1.00 0.00 C ATOM 593 O GLY A 37 -21.325 4.876 9.838 1.00 0.00 O ATOM 0 H GLY A 37 -19.119 1.518 11.167 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -19.739 2.556 9.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -21.435 2.335 9.641 1.00 0.00 H new ATOM 597 N ASN A 38 -19.865 4.559 11.519 1.00 0.00 N ATOM 598 CA ASN A 38 -19.933 5.923 12.061 1.00 0.00 C ATOM 599 C ASN A 38 -18.635 6.675 11.761 1.00 0.00 C ATOM 600 O ASN A 38 -17.554 6.224 12.140 1.00 0.00 O ATOM 601 CB ASN A 38 -20.184 5.880 13.580 1.00 0.00 C ATOM 602 CG ASN A 38 -21.606 5.486 13.922 1.00 0.00 C ATOM 603 OD1 ASN A 38 -22.484 6.322 14.103 1.00 0.00 O ATOM 604 ND2 ASN A 38 -21.884 4.208 14.019 1.00 0.00 N ATOM 0 H ASN A 38 -19.212 3.960 12.024 1.00 0.00 H new ATOM 0 HA ASN A 38 -20.761 6.449 11.585 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -19.494 5.172 14.039 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -19.969 6.859 14.008 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -22.832 3.908 14.245 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -21.152 3.514 13.868 1.00 0.00 H new ATOM 611 N ILE A 39 -18.747 7.820 11.077 1.00 0.00 N ATOM 612 CA ILE A 39 -17.611 8.671 10.713 1.00 0.00 C ATOM 613 C ILE A 39 -17.007 9.291 11.987 1.00 0.00 C ATOM 614 O ILE A 39 -17.566 10.232 12.560 1.00 0.00 O ATOM 615 CB ILE A 39 -17.993 9.747 9.672 1.00 0.00 C ATOM 616 CG1 ILE A 39 -18.764 9.165 8.465 1.00 0.00 C ATOM 617 CG2 ILE A 39 -16.696 10.417 9.172 1.00 0.00 C ATOM 618 CD1 ILE A 39 -19.364 10.255 7.577 1.00 0.00 C ATOM 0 H ILE A 39 -19.644 8.186 10.757 1.00 0.00 H new ATOM 0 HA ILE A 39 -16.856 8.050 10.231 1.00 0.00 H new ATOM 0 HB ILE A 39 -18.655 10.465 10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.091 8.546 7.872 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -19.561 8.514 8.826 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.942 11.181 8.435 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.177 10.877 10.013 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -16.052 9.666 8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -19.895 9.794 6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -20.059 10.858 8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -18.567 10.891 7.192 1.00 0.00 H new ATOM 630 N TYR A 40 -15.876 8.752 12.434 1.00 0.00 N ATOM 631 CA TYR A 40 -15.069 9.257 13.548 1.00 0.00 C ATOM 632 C TYR A 40 -13.850 10.048 13.034 1.00 0.00 C ATOM 633 O TYR A 40 -13.629 10.157 11.822 1.00 0.00 O ATOM 634 CB TYR A 40 -14.659 8.083 14.459 1.00 0.00 C ATOM 635 CG TYR A 40 -13.624 7.136 13.876 1.00 0.00 C ATOM 636 CD1 TYR A 40 -12.253 7.384 14.067 1.00 0.00 C ATOM 637 CD2 TYR A 40 -14.025 5.992 13.159 1.00 0.00 C ATOM 638 CE1 TYR A 40 -11.291 6.529 13.503 1.00 0.00 C ATOM 639 CE2 TYR A 40 -13.059 5.120 12.624 1.00 0.00 C ATOM 640 CZ TYR A 40 -11.691 5.403 12.764 1.00 0.00 C ATOM 641 OH TYR A 40 -10.753 4.600 12.198 1.00 0.00 O ATOM 0 H TYR A 40 -15.477 7.913 12.013 1.00 0.00 H new ATOM 0 HA TYR A 40 -15.664 9.954 14.139 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -14.270 8.489 15.393 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -15.552 7.510 14.708 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.938 8.236 14.650 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -15.076 5.784 13.020 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -10.240 6.738 13.638 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -13.372 4.228 12.102 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.873 5.026 12.268 1.00 0.00 H new ATOM 651 N THR A 41 -13.037 10.582 13.954 1.00 0.00 N ATOM 652 CA THR A 41 -11.798 11.314 13.639 1.00 0.00 C ATOM 653 C THR A 41 -10.575 10.767 14.383 1.00 0.00 C ATOM 654 O THR A 41 -10.668 10.350 15.541 1.00 0.00 O ATOM 655 CB THR A 41 -11.945 12.824 13.894 1.00 0.00 C ATOM 656 OG1 THR A 41 -12.479 13.090 15.177 1.00 0.00 O ATOM 657 CG2 THR A 41 -12.856 13.479 12.858 1.00 0.00 C ATOM 0 H THR A 41 -13.222 10.518 14.955 1.00 0.00 H new ATOM 0 HA THR A 41 -11.627 11.157 12.574 1.00 0.00 H new ATOM 0 HB THR A 41 -10.940 13.241 13.822 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.557 14.059 15.305 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.938 14.545 13.068 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.436 13.336 11.862 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.845 13.023 12.903 1.00 0.00 H new ATOM 665 N GLN A 42 -9.417 10.762 13.712 1.00 0.00 N ATOM 666 CA GLN A 42 -8.150 10.192 14.213 1.00 0.00 C ATOM 667 C GLN A 42 -6.920 10.997 13.752 1.00 0.00 C ATOM 668 O GLN A 42 -6.925 11.502 12.626 1.00 0.00 O ATOM 669 CB GLN A 42 -8.034 8.717 13.767 1.00 0.00 C ATOM 670 CG GLN A 42 -8.016 8.505 12.235 1.00 0.00 C ATOM 671 CD GLN A 42 -8.066 7.047 11.761 1.00 0.00 C ATOM 672 OE1 GLN A 42 -8.123 6.086 12.519 1.00 0.00 O ATOM 673 NE2 GLN A 42 -8.064 6.821 10.464 1.00 0.00 N ATOM 0 H GLN A 42 -9.328 11.164 12.779 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.168 10.246 15.302 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.122 8.294 14.189 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.869 8.157 14.188 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.864 9.036 11.804 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.114 8.967 11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.017 7.603 9.810 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.109 5.864 10.113 1.00 0.00 H new ATOM 682 N PRO A 43 -5.863 11.136 14.576 1.00 0.00 N ATOM 683 CA PRO A 43 -4.634 11.829 14.189 1.00 0.00 C ATOM 684 C PRO A 43 -3.787 11.001 13.205 1.00 0.00 C ATOM 685 O PRO A 43 -3.767 9.767 13.262 1.00 0.00 O ATOM 686 CB PRO A 43 -3.883 12.070 15.503 1.00 0.00 C ATOM 687 CG PRO A 43 -4.328 10.911 16.390 1.00 0.00 C ATOM 688 CD PRO A 43 -5.772 10.671 15.955 1.00 0.00 C ATOM 0 HA PRO A 43 -4.852 12.759 13.663 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.803 12.069 15.353 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.143 13.033 15.942 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.709 10.027 16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.263 11.166 17.448 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.030 9.614 16.028 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.467 11.214 16.596 1.00 0.00 H new ATOM 696 N VAL A 44 -3.047 11.682 12.322 1.00 0.00 N ATOM 697 CA VAL A 44 -2.011 11.068 11.471 1.00 0.00 C ATOM 698 C VAL A 44 -0.924 10.402 12.331 1.00 0.00 C ATOM 699 O VAL A 44 -0.493 10.965 13.343 1.00 0.00 O ATOM 700 CB VAL A 44 -1.422 12.109 10.493 1.00 0.00 C ATOM 701 CG1 VAL A 44 -0.658 13.260 11.163 1.00 0.00 C ATOM 702 CG2 VAL A 44 -0.485 11.452 9.476 1.00 0.00 C ATOM 0 H VAL A 44 -3.149 12.686 12.174 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.471 10.284 10.870 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.299 12.534 10.005 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.281 13.940 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.328 13.801 11.832 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.178 12.858 11.735 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.088 12.212 8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.338 10.966 10.000 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.037 10.710 8.899 1.00 0.00 H new ATOM 712 N ALA A 45 -0.473 9.207 11.938 1.00 0.00 N ATOM 713 CA ALA A 45 0.602 8.490 12.630 1.00 0.00 C ATOM 714 C ALA A 45 1.985 8.750 12.002 1.00 0.00 C ATOM 715 O ALA A 45 2.986 8.804 12.720 1.00 0.00 O ATOM 716 CB ALA A 45 0.267 6.993 12.637 1.00 0.00 C ATOM 0 H ALA A 45 -0.844 8.709 11.129 1.00 0.00 H new ATOM 0 HA ALA A 45 0.665 8.862 13.653 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.058 6.445 13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.678 6.834 13.156 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.183 6.634 11.611 1.00 0.00 H new ATOM 722 N GLN A 46 2.039 8.910 10.672 1.00 0.00 N ATOM 723 CA GLN A 46 3.257 9.133 9.877 1.00 0.00 C ATOM 724 C GLN A 46 2.941 9.581 8.434 1.00 0.00 C ATOM 725 O GLN A 46 1.777 9.651 8.036 1.00 0.00 O ATOM 726 CB GLN A 46 4.156 7.884 9.902 1.00 0.00 C ATOM 727 CG GLN A 46 3.480 6.559 9.533 1.00 0.00 C ATOM 728 CD GLN A 46 4.240 5.400 10.163 1.00 0.00 C ATOM 729 OE1 GLN A 46 4.979 4.662 9.524 1.00 0.00 O ATOM 730 NE2 GLN A 46 4.120 5.234 11.465 1.00 0.00 N ATOM 0 H GLN A 46 1.198 8.887 10.095 1.00 0.00 H new ATOM 0 HA GLN A 46 3.804 9.955 10.339 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.988 8.047 9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.580 7.786 10.901 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.446 6.559 9.879 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.454 6.443 8.450 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.506 5.846 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.641 4.494 11.935 1.00 0.00 H new ATOM 739 N TRP A 47 3.976 9.840 7.631 1.00 0.00 N ATOM 740 CA TRP A 47 3.875 10.343 6.254 1.00 0.00 C ATOM 741 C TRP A 47 4.783 9.524 5.321 1.00 0.00 C ATOM 742 O TRP A 47 5.930 9.231 5.671 1.00 0.00 O ATOM 743 CB TRP A 47 4.272 11.831 6.232 1.00 0.00 C ATOM 744 CG TRP A 47 3.525 12.728 7.174 1.00 0.00 C ATOM 745 CD1 TRP A 47 2.467 13.507 6.854 1.00 0.00 C ATOM 746 CD2 TRP A 47 3.760 12.947 8.601 1.00 0.00 C ATOM 747 NE1 TRP A 47 2.016 14.174 7.977 1.00 0.00 N ATOM 748 CE2 TRP A 47 2.763 13.845 9.087 1.00 0.00 C ATOM 749 CE3 TRP A 47 4.707 12.471 9.536 1.00 0.00 C ATOM 750 CZ2 TRP A 47 2.692 14.225 10.432 1.00 0.00 C ATOM 751 CZ3 TRP A 47 4.635 12.839 10.896 1.00 0.00 C ATOM 752 CH2 TRP A 47 3.623 13.706 11.346 1.00 0.00 C ATOM 0 H TRP A 47 4.941 9.701 7.930 1.00 0.00 H new ATOM 0 HA TRP A 47 2.849 10.241 5.900 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.336 11.906 6.458 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.135 12.208 5.218 1.00 0.00 H new ATOM 0 HD1 TRP A 47 2.038 13.595 5.867 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.231 14.826 7.983 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.498 11.815 9.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.927 14.912 10.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.361 12.453 11.596 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.562 13.972 12.391 1.00 0.00 H new ATOM 763 N HIS A 48 4.283 9.178 4.133 1.00 0.00 N ATOM 764 CA HIS A 48 4.983 8.355 3.140 1.00 0.00 C ATOM 765 C HIS A 48 5.010 9.041 1.765 1.00 0.00 C ATOM 766 O HIS A 48 3.983 9.217 1.102 1.00 0.00 O ATOM 767 CB HIS A 48 4.339 6.964 3.023 1.00 0.00 C ATOM 768 CG HIS A 48 4.181 6.209 4.320 1.00 0.00 C ATOM 769 ND1 HIS A 48 5.187 5.656 5.083 1.00 0.00 N ATOM 770 CD2 HIS A 48 2.995 5.884 4.923 1.00 0.00 C ATOM 771 CE1 HIS A 48 4.621 5.011 6.117 1.00 0.00 C ATOM 772 NE2 HIS A 48 3.280 5.118 6.062 1.00 0.00 N ATOM 0 H HIS A 48 3.355 9.469 3.825 1.00 0.00 H new ATOM 0 HA HIS A 48 6.010 8.235 3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 48 3.356 7.076 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 48 4.940 6.361 2.343 1.00 0.00 H new ATOM 0 HD2 HIS A 48 2.011 6.168 4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 48 5.165 4.481 6.885 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.607 4.721 6.717 1.00 0.00 H new ATOM 780 N ASP A 49 6.213 9.394 1.318 1.00 0.00 N ATOM 781 CA ASP A 49 6.487 10.018 0.024 1.00 0.00 C ATOM 782 C ASP A 49 7.134 8.999 -0.919 1.00 0.00 C ATOM 783 O ASP A 49 8.279 8.571 -0.738 1.00 0.00 O ATOM 784 CB ASP A 49 7.341 11.290 0.187 1.00 0.00 C ATOM 785 CG ASP A 49 8.702 11.083 0.881 1.00 0.00 C ATOM 786 OD1 ASP A 49 8.737 10.787 2.101 1.00 0.00 O ATOM 787 OD2 ASP A 49 9.755 11.279 0.224 1.00 0.00 O ATOM 0 H ASP A 49 7.059 9.247 1.869 1.00 0.00 H new ATOM 0 HA ASP A 49 5.545 10.336 -0.423 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.516 11.720 -0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.768 12.022 0.757 1.00 0.00 H new ATOM 792 N ARG A 50 6.354 8.565 -1.914 1.00 0.00 N ATOM 793 CA ARG A 50 6.746 7.531 -2.884 1.00 0.00 C ATOM 794 C ARG A 50 7.670 8.066 -3.977 1.00 0.00 C ATOM 795 O ARG A 50 8.490 7.326 -4.520 1.00 0.00 O ATOM 796 CB ARG A 50 5.479 6.955 -3.508 1.00 0.00 C ATOM 797 CG ARG A 50 4.499 6.365 -2.474 1.00 0.00 C ATOM 798 CD ARG A 50 5.105 5.269 -1.585 1.00 0.00 C ATOM 799 NE ARG A 50 5.628 4.139 -2.383 1.00 0.00 N ATOM 800 CZ ARG A 50 6.288 3.081 -1.949 1.00 0.00 C ATOM 801 NH1 ARG A 50 6.536 2.876 -0.688 1.00 0.00 N ATOM 802 NH2 ARG A 50 6.712 2.203 -2.811 1.00 0.00 N ATOM 0 H ARG A 50 5.414 8.928 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 50 7.307 6.761 -2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.972 7.738 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.755 6.178 -4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.131 7.170 -1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.637 5.955 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.910 5.692 -0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.348 4.904 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 50 5.459 4.182 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.217 3.547 0.010 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.050 2.044 -0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.533 2.338 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.223 1.380 -2.491 1.00 0.00 H new ATOM 816 N GLY A 51 7.524 9.351 -4.296 1.00 0.00 N ATOM 817 CA GLY A 51 8.408 10.107 -5.185 1.00 0.00 C ATOM 818 C GLY A 51 7.937 10.154 -6.638 1.00 0.00 C ATOM 819 O GLY A 51 7.929 11.231 -7.228 1.00 0.00 O ATOM 0 H GLY A 51 6.758 9.916 -3.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.498 11.126 -4.810 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.404 9.666 -5.151 1.00 0.00 H new ATOM 823 N GLU A 52 7.523 9.011 -7.206 1.00 0.00 N ATOM 824 CA GLU A 52 7.184 8.838 -8.631 1.00 0.00 C ATOM 825 C GLU A 52 6.810 7.383 -8.967 1.00 0.00 C ATOM 826 O GLU A 52 7.657 6.499 -9.092 1.00 0.00 O ATOM 827 CB GLU A 52 8.287 9.359 -9.573 1.00 0.00 C ATOM 828 CG GLU A 52 9.688 8.759 -9.365 1.00 0.00 C ATOM 829 CD GLU A 52 10.784 9.542 -10.116 1.00 0.00 C ATOM 830 OE1 GLU A 52 10.588 9.921 -11.297 1.00 0.00 O ATOM 831 OE2 GLU A 52 11.877 9.761 -9.537 1.00 0.00 O ATOM 0 H GLU A 52 7.410 8.151 -6.669 1.00 0.00 H new ATOM 0 HA GLU A 52 6.301 9.454 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.980 9.167 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.355 10.441 -9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.920 8.747 -8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.690 7.723 -9.703 1.00 0.00 H new ATOM 838 N GLN A 53 5.509 7.131 -9.109 1.00 0.00 N ATOM 839 CA GLN A 53 4.946 5.835 -9.514 1.00 0.00 C ATOM 840 C GLN A 53 3.893 5.976 -10.628 1.00 0.00 C ATOM 841 O GLN A 53 3.442 7.073 -10.940 1.00 0.00 O ATOM 842 CB GLN A 53 4.350 5.154 -8.277 1.00 0.00 C ATOM 843 CG GLN A 53 5.400 5.000 -7.164 1.00 0.00 C ATOM 844 CD GLN A 53 4.867 4.358 -5.904 1.00 0.00 C ATOM 845 OE1 GLN A 53 5.507 3.549 -5.243 1.00 0.00 O ATOM 846 NE2 GLN A 53 3.735 4.820 -5.426 1.00 0.00 N ATOM 0 H GLN A 53 4.795 7.840 -8.942 1.00 0.00 H new ATOM 0 HA GLN A 53 5.746 5.222 -9.930 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.508 5.739 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.961 4.173 -8.551 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.230 4.403 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.801 5.983 -6.918 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.191 5.494 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.399 4.505 -4.516 1.00 0.00 H new ATOM 855 N GLU A 54 3.524 4.856 -11.254 1.00 0.00 N ATOM 856 CA GLU A 54 2.599 4.783 -12.397 1.00 0.00 C ATOM 857 C GLU A 54 1.140 5.153 -12.045 1.00 0.00 C ATOM 858 O GLU A 54 0.386 4.346 -11.494 1.00 0.00 O ATOM 859 CB GLU A 54 2.730 3.401 -13.074 1.00 0.00 C ATOM 860 CG GLU A 54 2.556 2.167 -12.168 1.00 0.00 C ATOM 861 CD GLU A 54 2.974 0.885 -12.909 1.00 0.00 C ATOM 862 OE1 GLU A 54 2.199 0.380 -13.758 1.00 0.00 O ATOM 863 OE2 GLU A 54 4.088 0.363 -12.647 1.00 0.00 O ATOM 0 H GLU A 54 3.872 3.940 -10.972 1.00 0.00 H new ATOM 0 HA GLU A 54 2.891 5.550 -13.114 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.992 3.343 -13.874 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.713 3.343 -13.542 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.157 2.284 -11.266 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.516 2.087 -11.850 1.00 0.00 H new ATOM 870 N VAL A 55 0.731 6.389 -12.357 1.00 0.00 N ATOM 871 CA VAL A 55 -0.594 6.955 -12.040 1.00 0.00 C ATOM 872 C VAL A 55 -1.577 6.775 -13.201 1.00 0.00 C ATOM 873 O VAL A 55 -1.238 6.959 -14.373 1.00 0.00 O ATOM 874 CB VAL A 55 -0.491 8.455 -11.686 1.00 0.00 C ATOM 875 CG1 VAL A 55 -1.802 9.016 -11.128 1.00 0.00 C ATOM 876 CG2 VAL A 55 0.562 8.707 -10.604 1.00 0.00 C ATOM 0 H VAL A 55 1.331 7.048 -12.854 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.970 6.408 -11.175 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.229 8.945 -12.624 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.676 10.073 -10.895 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.592 8.900 -11.869 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.073 8.475 -10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.606 9.773 -10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.295 8.158 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.536 8.370 -10.959 1.00 0.00 H new ATOM 886 N PHE A 56 -2.830 6.485 -12.859 1.00 0.00 N ATOM 887 CA PHE A 56 -3.944 6.262 -13.776 1.00 0.00 C ATOM 888 C PHE A 56 -5.094 7.229 -13.459 1.00 0.00 C ATOM 889 O PHE A 56 -5.393 7.521 -12.298 1.00 0.00 O ATOM 890 CB PHE A 56 -4.380 4.792 -13.688 1.00 0.00 C ATOM 891 CG PHE A 56 -3.336 3.823 -14.221 1.00 0.00 C ATOM 892 CD1 PHE A 56 -2.205 3.495 -13.448 1.00 0.00 C ATOM 893 CD2 PHE A 56 -3.487 3.257 -15.500 1.00 0.00 C ATOM 894 CE1 PHE A 56 -1.217 2.639 -13.962 1.00 0.00 C ATOM 895 CE2 PHE A 56 -2.514 2.368 -16.000 1.00 0.00 C ATOM 896 CZ PHE A 56 -1.366 2.083 -15.243 1.00 0.00 C ATOM 0 H PHE A 56 -3.110 6.395 -11.882 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.634 6.463 -14.801 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.597 4.546 -12.649 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.307 4.661 -14.247 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.097 3.904 -12.454 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.350 3.504 -16.100 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.342 2.408 -13.372 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.652 1.906 -16.966 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.599 1.437 -15.645 1.00 0.00 H new ATOM 906 N GLU A 57 -5.730 7.748 -14.510 1.00 0.00 N ATOM 907 CA GLU A 57 -6.946 8.554 -14.413 1.00 0.00 C ATOM 908 C GLU A 57 -8.063 7.738 -13.756 1.00 0.00 C ATOM 909 O GLU A 57 -8.355 6.622 -14.188 1.00 0.00 O ATOM 910 CB GLU A 57 -7.365 8.998 -15.825 1.00 0.00 C ATOM 911 CG GLU A 57 -8.627 9.872 -15.825 1.00 0.00 C ATOM 912 CD GLU A 57 -8.923 10.422 -17.235 1.00 0.00 C ATOM 913 OE1 GLU A 57 -9.190 9.621 -18.165 1.00 0.00 O ATOM 914 OE2 GLU A 57 -8.897 11.661 -17.422 1.00 0.00 O ATOM 0 H GLU A 57 -5.408 7.617 -15.469 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.758 9.434 -13.799 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.546 9.551 -16.285 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.540 8.116 -16.441 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.477 9.288 -15.474 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.499 10.700 -15.128 1.00 0.00 H new ATOM 921 N TYR A 58 -8.716 8.307 -12.745 1.00 0.00 N ATOM 922 CA TYR A 58 -9.837 7.704 -12.052 1.00 0.00 C ATOM 923 C TYR A 58 -10.992 8.719 -12.031 1.00 0.00 C ATOM 924 O TYR A 58 -11.041 9.640 -11.217 1.00 0.00 O ATOM 925 CB TYR A 58 -9.333 7.222 -10.682 1.00 0.00 C ATOM 926 CG TYR A 58 -10.378 6.849 -9.660 1.00 0.00 C ATOM 927 CD1 TYR A 58 -11.652 6.401 -10.058 1.00 0.00 C ATOM 928 CD2 TYR A 58 -10.050 6.919 -8.291 1.00 0.00 C ATOM 929 CE1 TYR A 58 -12.613 6.087 -9.089 1.00 0.00 C ATOM 930 CE2 TYR A 58 -11.019 6.631 -7.318 1.00 0.00 C ATOM 931 CZ TYR A 58 -12.311 6.251 -7.724 1.00 0.00 C ATOM 932 OH TYR A 58 -13.284 6.078 -6.803 1.00 0.00 O ATOM 0 H TYR A 58 -8.468 9.226 -12.380 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.243 6.821 -12.546 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.692 6.355 -10.843 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.707 8.006 -10.256 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.887 6.300 -11.107 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.050 7.195 -7.990 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.584 5.720 -9.388 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.775 6.700 -6.268 1.00 0.00 H new ATOM 0 HH TYR A 58 -13.951 5.448 -7.147 1.00 0.00 H new ATOM 942 N CYS A 59 -11.914 8.566 -12.984 1.00 0.00 N ATOM 943 CA CYS A 59 -13.087 9.425 -13.137 1.00 0.00 C ATOM 944 C CYS A 59 -14.367 8.646 -12.801 1.00 0.00 C ATOM 945 O CYS A 59 -14.489 7.466 -13.141 1.00 0.00 O ATOM 946 CB CYS A 59 -13.099 9.972 -14.570 1.00 0.00 C ATOM 947 SG CYS A 59 -14.453 11.168 -14.785 1.00 0.00 S ATOM 0 H CYS A 59 -11.864 7.826 -13.684 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.043 10.264 -12.443 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -12.145 10.451 -14.791 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.215 9.151 -15.278 1.00 0.00 H new ATOM 0 HG CYS A 59 -14.697 11.756 -13.651 1.00 0.00 H new ATOM 953 N LEU A 60 -15.327 9.307 -12.152 1.00 0.00 N ATOM 954 CA LEU A 60 -16.629 8.738 -11.775 1.00 0.00 C ATOM 955 C LEU A 60 -17.761 9.229 -12.689 1.00 0.00 C ATOM 956 O LEU A 60 -17.654 10.256 -13.359 1.00 0.00 O ATOM 957 CB LEU A 60 -16.932 9.085 -10.298 1.00 0.00 C ATOM 958 CG LEU A 60 -17.016 7.896 -9.318 1.00 0.00 C ATOM 959 CD1 LEU A 60 -15.793 6.997 -9.336 1.00 0.00 C ATOM 960 CD2 LEU A 60 -17.155 8.383 -7.874 1.00 0.00 C ATOM 0 H LEU A 60 -15.221 10.280 -11.865 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.574 7.656 -11.895 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.160 9.767 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -17.878 9.626 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 60 -17.887 7.334 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.928 6.185 -8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -15.661 6.582 -10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.911 7.577 -9.064 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.212 7.525 -7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.290 8.992 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -18.062 8.980 -7.777 1.00 0.00 H new ATOM 972 N GLU A 61 -18.880 8.505 -12.665 1.00 0.00 N ATOM 973 CA GLU A 61 -20.047 8.741 -13.540 1.00 0.00 C ATOM 974 C GLU A 61 -20.776 10.074 -13.258 1.00 0.00 C ATOM 975 O GLU A 61 -21.471 10.602 -14.128 1.00 0.00 O ATOM 976 CB GLU A 61 -21.018 7.554 -13.411 1.00 0.00 C ATOM 977 CG GLU A 61 -20.397 6.237 -13.906 1.00 0.00 C ATOM 978 CD GLU A 61 -21.262 5.016 -13.555 1.00 0.00 C ATOM 979 OE1 GLU A 61 -21.354 4.662 -12.354 1.00 0.00 O ATOM 980 OE2 GLU A 61 -21.808 4.371 -14.486 1.00 0.00 O ATOM 0 H GLU A 61 -19.011 7.720 -12.027 1.00 0.00 H new ATOM 0 HA GLU A 61 -19.675 8.822 -14.561 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -21.317 7.443 -12.369 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -21.923 7.764 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -20.262 6.285 -14.987 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -19.407 6.117 -13.466 1.00 0.00 H new ATOM 987 N ASP A 62 -20.587 10.644 -12.062 1.00 0.00 N ATOM 988 CA ASP A 62 -21.045 11.995 -11.698 1.00 0.00 C ATOM 989 C ASP A 62 -20.167 13.113 -12.300 1.00 0.00 C ATOM 990 O ASP A 62 -20.658 14.218 -12.548 1.00 0.00 O ATOM 991 CB ASP A 62 -21.063 12.103 -10.166 1.00 0.00 C ATOM 992 CG ASP A 62 -21.449 13.506 -9.668 1.00 0.00 C ATOM 993 OD1 ASP A 62 -22.650 13.867 -9.735 1.00 0.00 O ATOM 994 OD2 ASP A 62 -20.554 14.239 -9.181 1.00 0.00 O ATOM 0 H ASP A 62 -20.100 10.170 -11.301 1.00 0.00 H new ATOM 0 HA ASP A 62 -22.043 12.137 -12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -21.767 11.374 -9.764 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -20.078 11.843 -9.777 1.00 0.00 H new ATOM 999 N GLY A 63 -18.878 12.834 -12.542 1.00 0.00 N ATOM 1000 CA GLY A 63 -17.903 13.788 -13.091 1.00 0.00 C ATOM 1001 C GLY A 63 -16.736 14.120 -12.150 1.00 0.00 C ATOM 1002 O GLY A 63 -15.860 14.907 -12.522 1.00 0.00 O ATOM 0 H GLY A 63 -18.474 11.916 -12.357 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.500 13.383 -14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.422 14.712 -13.345 1.00 0.00 H new ATOM 1006 N SER A 64 -16.706 13.536 -10.943 1.00 0.00 N ATOM 1007 CA SER A 64 -15.555 13.622 -10.026 1.00 0.00 C ATOM 1008 C SER A 64 -14.279 13.070 -10.683 1.00 0.00 C ATOM 1009 O SER A 64 -14.340 12.122 -11.474 1.00 0.00 O ATOM 1010 CB SER A 64 -15.840 12.868 -8.718 1.00 0.00 C ATOM 1011 OG SER A 64 -16.866 13.501 -7.971 1.00 0.00 O ATOM 0 H SER A 64 -17.482 12.988 -10.572 1.00 0.00 H new ATOM 0 HA SER A 64 -15.397 14.676 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 64 -16.131 11.842 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 64 -14.930 12.817 -8.120 1.00 0.00 H new ATOM 0 HG SER A 64 -17.027 12.999 -7.145 1.00 0.00 H new ATOM 1017 N LEU A 65 -13.126 13.650 -10.338 1.00 0.00 N ATOM 1018 CA LEU A 65 -11.834 13.381 -10.983 1.00 0.00 C ATOM 1019 C LEU A 65 -10.740 13.174 -9.926 1.00 0.00 C ATOM 1020 O LEU A 65 -10.530 14.013 -9.044 1.00 0.00 O ATOM 1021 CB LEU A 65 -11.489 14.550 -11.936 1.00 0.00 C ATOM 1022 CG LEU A 65 -10.745 14.183 -13.236 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.531 13.272 -13.037 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -11.693 13.510 -14.225 1.00 0.00 C ATOM 0 H LEU A 65 -13.062 14.336 -9.585 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.898 12.463 -11.567 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -12.416 15.056 -12.205 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.881 15.269 -11.387 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.376 15.133 -13.623 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -9.069 13.065 -14.002 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.808 13.766 -12.387 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.850 12.335 -12.580 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.150 13.259 -15.136 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.097 12.600 -13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.510 14.190 -14.466 1.00 0.00 H new ATOM 1036 N ILE A 66 -10.065 12.032 -10.019 1.00 0.00 N ATOM 1037 CA ILE A 66 -9.109 11.493 -9.049 1.00 0.00 C ATOM 1038 C ILE A 66 -7.905 10.925 -9.828 1.00 0.00 C ATOM 1039 O ILE A 66 -8.040 10.491 -10.975 1.00 0.00 O ATOM 1040 CB ILE A 66 -9.799 10.415 -8.156 1.00 0.00 C ATOM 1041 CG1 ILE A 66 -11.151 10.887 -7.550 1.00 0.00 C ATOM 1042 CG2 ILE A 66 -8.854 9.978 -7.019 1.00 0.00 C ATOM 1043 CD1 ILE A 66 -12.034 9.781 -6.955 1.00 0.00 C ATOM 0 H ILE A 66 -10.176 11.417 -10.825 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.754 12.274 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.019 9.574 -8.813 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.943 11.620 -6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.717 11.400 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -9.348 9.226 -6.404 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -7.943 9.557 -7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.602 10.841 -6.403 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -12.951 10.220 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -12.283 9.057 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.496 9.280 -6.150 1.00 0.00 H new ATOM 1055 N ARG A 67 -6.712 10.942 -9.221 1.00 0.00 N ATOM 1056 CA ARG A 67 -5.461 10.447 -9.822 1.00 0.00 C ATOM 1057 C ARG A 67 -4.672 9.631 -8.795 1.00 0.00 C ATOM 1058 O ARG A 67 -4.176 10.175 -7.807 1.00 0.00 O ATOM 1059 CB ARG A 67 -4.653 11.629 -10.392 1.00 0.00 C ATOM 1060 CG ARG A 67 -5.361 12.265 -11.603 1.00 0.00 C ATOM 1061 CD ARG A 67 -4.468 13.271 -12.340 1.00 0.00 C ATOM 1062 NE ARG A 67 -4.963 13.499 -13.715 1.00 0.00 N ATOM 1063 CZ ARG A 67 -5.834 14.407 -14.124 1.00 0.00 C ATOM 1064 NH1 ARG A 67 -6.325 15.314 -13.328 1.00 0.00 N ATOM 1065 NH2 ARG A 67 -6.235 14.414 -15.365 1.00 0.00 N ATOM 0 H ARG A 67 -6.584 11.308 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.685 9.779 -10.653 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.510 12.381 -9.616 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.662 11.285 -10.688 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.667 11.480 -12.295 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.269 12.767 -11.268 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.447 14.214 -11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.444 12.899 -12.374 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.587 12.882 -14.435 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.040 15.342 -12.349 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.995 15.996 -13.684 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.877 13.719 -16.021 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.907 15.114 -15.680 1.00 0.00 H new ATOM 1079 N ALA A 68 -4.593 8.322 -9.027 1.00 0.00 N ATOM 1080 CA ALA A 68 -3.982 7.337 -8.129 1.00 0.00 C ATOM 1081 C ALA A 68 -3.268 6.223 -8.915 1.00 0.00 C ATOM 1082 O ALA A 68 -3.529 5.999 -10.098 1.00 0.00 O ATOM 1083 CB ALA A 68 -5.087 6.754 -7.234 1.00 0.00 C ATOM 0 H ALA A 68 -4.966 7.900 -9.877 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.223 7.825 -7.518 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.655 6.017 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.546 7.555 -6.655 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.844 6.276 -7.855 1.00 0.00 H new ATOM 1089 N THR A 69 -2.357 5.507 -8.258 1.00 0.00 N ATOM 1090 CA THR A 69 -1.700 4.309 -8.814 1.00 0.00 C ATOM 1091 C THR A 69 -2.631 3.099 -8.810 1.00 0.00 C ATOM 1092 O THR A 69 -3.416 2.938 -7.875 1.00 0.00 O ATOM 1093 CB THR A 69 -0.483 3.922 -7.966 1.00 0.00 C ATOM 1094 OG1 THR A 69 -0.850 3.935 -6.607 1.00 0.00 O ATOM 1095 CG2 THR A 69 0.684 4.880 -8.139 1.00 0.00 C ATOM 0 H THR A 69 -2.046 5.739 -7.315 1.00 0.00 H new ATOM 0 HA THR A 69 -1.414 4.564 -9.835 1.00 0.00 H new ATOM 0 HB THR A 69 -0.165 2.933 -8.297 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.180 3.049 -6.349 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.517 4.556 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.996 4.889 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.378 5.883 -7.843 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.452 2.166 -9.752 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.213 0.895 -9.768 1.00 0.00 C ATOM 1105 C LYS A 70 -2.969 -0.016 -8.557 1.00 0.00 C ATOM 1106 O LYS A 70 -3.786 -0.886 -8.270 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.959 0.121 -11.073 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.879 0.633 -12.189 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.485 0.129 -13.583 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.971 -1.271 -13.958 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.092 -2.366 -13.454 1.00 0.00 N ATOM 0 H LYS A 70 -1.786 2.261 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.260 1.193 -9.707 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.917 0.233 -11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.131 -0.943 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.903 0.325 -11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.867 1.723 -12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.867 0.833 -14.322 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.398 0.146 -13.658 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.977 -1.414 -13.564 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.040 -1.343 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.326 -3.252 -13.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.097 -2.123 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.240 -2.487 -12.432 1.00 0.00 H new ATOM 1125 N ASP A 71 -1.868 0.194 -7.840 1.00 0.00 N ATOM 1126 CA ASP A 71 -1.463 -0.561 -6.651 1.00 0.00 C ATOM 1127 C ASP A 71 -2.177 -0.083 -5.372 1.00 0.00 C ATOM 1128 O ASP A 71 -2.148 -0.770 -4.350 1.00 0.00 O ATOM 1129 CB ASP A 71 0.052 -0.386 -6.477 1.00 0.00 C ATOM 1130 CG ASP A 71 0.849 -0.981 -7.647 1.00 0.00 C ATOM 1131 OD1 ASP A 71 1.147 -2.199 -7.617 1.00 0.00 O ATOM 1132 OD2 ASP A 71 1.187 -0.232 -8.597 1.00 0.00 O ATOM 0 H ASP A 71 -1.202 0.928 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 71 -1.738 -1.605 -6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.284 0.675 -6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 71 0.366 -0.862 -5.548 1.00 0.00 H new ATOM 1137 N HIS A 72 -2.801 1.102 -5.415 1.00 0.00 N ATOM 1138 CA HIS A 72 -3.491 1.697 -4.274 1.00 0.00 C ATOM 1139 C HIS A 72 -4.884 1.055 -4.105 1.00 0.00 C ATOM 1140 O HIS A 72 -5.640 0.933 -5.078 1.00 0.00 O ATOM 1141 CB HIS A 72 -3.611 3.212 -4.510 1.00 0.00 C ATOM 1142 CG HIS A 72 -4.256 3.921 -3.353 1.00 0.00 C ATOM 1143 ND1 HIS A 72 -5.597 3.914 -3.070 1.00 0.00 N ATOM 1144 CD2 HIS A 72 -3.635 4.571 -2.317 1.00 0.00 C ATOM 1145 CE1 HIS A 72 -5.770 4.481 -1.875 1.00 0.00 C ATOM 1146 NE2 HIS A 72 -4.607 4.907 -1.370 1.00 0.00 N ATOM 0 H HIS A 72 -2.838 1.678 -6.256 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.927 1.518 -3.358 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.619 3.630 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -4.194 3.392 -5.414 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.334 3.541 -3.668 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -2.579 4.786 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.724 4.583 -1.380 1.00 0.00 H new ATOM 1154 N LYS A 73 -5.243 0.666 -2.876 1.00 0.00 N ATOM 1155 CA LYS A 73 -6.521 0.006 -2.546 1.00 0.00 C ATOM 1156 C LYS A 73 -7.595 1.004 -2.099 1.00 0.00 C ATOM 1157 O LYS A 73 -7.313 2.008 -1.451 1.00 0.00 O ATOM 1158 CB LYS A 73 -6.254 -1.077 -1.482 1.00 0.00 C ATOM 1159 CG LYS A 73 -5.484 -2.260 -2.100 1.00 0.00 C ATOM 1160 CD LYS A 73 -4.648 -3.042 -1.082 1.00 0.00 C ATOM 1161 CE LYS A 73 -3.768 -4.048 -1.835 1.00 0.00 C ATOM 1162 NZ LYS A 73 -4.417 -5.380 -1.996 1.00 0.00 N ATOM 0 H LYS A 73 -4.643 0.802 -2.062 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.922 -0.463 -3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.681 -0.652 -0.658 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.199 -1.427 -1.066 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.194 -2.938 -2.573 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.828 -1.886 -2.886 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.028 -2.360 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.299 -3.562 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.526 -3.646 -2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.826 -4.171 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.814 -5.991 -2.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.548 -5.818 -1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.343 -5.262 -2.455 1.00 0.00 H new ATOM 1176 N PHE A 74 -8.856 0.729 -2.415 1.00 0.00 N ATOM 1177 CA PHE A 74 -9.979 1.621 -2.096 1.00 0.00 C ATOM 1178 C PHE A 74 -11.103 0.872 -1.380 1.00 0.00 C ATOM 1179 O PHE A 74 -11.275 -0.334 -1.567 1.00 0.00 O ATOM 1180 CB PHE A 74 -10.499 2.291 -3.370 1.00 0.00 C ATOM 1181 CG PHE A 74 -9.624 3.393 -3.945 1.00 0.00 C ATOM 1182 CD1 PHE A 74 -8.524 3.079 -4.769 1.00 0.00 C ATOM 1183 CD2 PHE A 74 -9.940 4.741 -3.690 1.00 0.00 C ATOM 1184 CE1 PHE A 74 -7.740 4.109 -5.323 1.00 0.00 C ATOM 1185 CE2 PHE A 74 -9.140 5.769 -4.221 1.00 0.00 C ATOM 1186 CZ PHE A 74 -8.041 5.453 -5.039 1.00 0.00 C ATOM 0 H PHE A 74 -9.135 -0.122 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 74 -9.616 2.392 -1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -10.632 1.524 -4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -11.485 2.707 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -8.282 2.047 -4.976 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.800 4.987 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -6.907 3.867 -5.966 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.370 6.801 -4.000 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.428 6.242 -5.449 1.00 0.00 H new ATOM 1196 N MET A 75 -11.861 1.601 -0.552 1.00 0.00 N ATOM 1197 CA MET A 75 -12.880 1.025 0.326 1.00 0.00 C ATOM 1198 C MET A 75 -14.251 1.033 -0.362 1.00 0.00 C ATOM 1199 O MET A 75 -14.917 2.070 -0.465 1.00 0.00 O ATOM 1200 CB MET A 75 -12.870 1.736 1.688 1.00 0.00 C ATOM 1201 CG MET A 75 -13.434 0.823 2.782 1.00 0.00 C ATOM 1202 SD MET A 75 -13.136 1.420 4.468 1.00 0.00 S ATOM 1203 CE MET A 75 -14.435 2.672 4.615 1.00 0.00 C ATOM 0 H MET A 75 -11.782 2.615 -0.474 1.00 0.00 H new ATOM 0 HA MET A 75 -12.648 -0.022 0.523 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.852 2.030 1.942 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.461 2.650 1.631 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.508 0.713 2.631 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.994 -0.169 2.676 1.00 0.00 H new ATOM 0 HE1 MET A 75 -14.119 3.443 5.317 1.00 0.00 H new ATOM 0 HE2 MET A 75 -14.618 3.122 3.639 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.351 2.205 4.977 1.00 0.00 H new ATOM 1213 N THR A 76 -14.654 -0.120 -0.899 1.00 0.00 N ATOM 1214 CA THR A 76 -15.938 -0.286 -1.607 1.00 0.00 C ATOM 1215 C THR A 76 -17.137 -0.197 -0.664 1.00 0.00 C ATOM 1216 O THR A 76 -16.982 -0.184 0.557 1.00 0.00 O ATOM 1217 CB THR A 76 -16.001 -1.621 -2.357 1.00 0.00 C ATOM 1218 OG1 THR A 76 -15.892 -2.702 -1.458 1.00 0.00 O ATOM 1219 CG2 THR A 76 -14.880 -1.714 -3.381 1.00 0.00 C ATOM 0 H THR A 76 -14.099 -0.975 -0.858 1.00 0.00 H new ATOM 0 HA THR A 76 -15.990 0.536 -2.320 1.00 0.00 H new ATOM 0 HB THR A 76 -16.963 -1.670 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.936 -3.546 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.942 -2.669 -3.903 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.976 -0.901 -4.100 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.918 -1.639 -2.875 1.00 0.00 H new ATOM 1227 N VAL A 77 -18.352 -0.182 -1.223 1.00 0.00 N ATOM 1228 CA VAL A 77 -19.605 -0.166 -0.444 1.00 0.00 C ATOM 1229 C VAL A 77 -19.729 -1.269 0.621 1.00 0.00 C ATOM 1230 O VAL A 77 -20.371 -1.056 1.649 1.00 0.00 O ATOM 1231 CB VAL A 77 -20.850 -0.215 -1.349 1.00 0.00 C ATOM 1232 CG1 VAL A 77 -21.039 1.114 -2.077 1.00 0.00 C ATOM 1233 CG2 VAL A 77 -20.814 -1.348 -2.382 1.00 0.00 C ATOM 0 H VAL A 77 -18.499 -0.181 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 77 -19.555 0.785 0.086 1.00 0.00 H new ATOM 0 HB VAL A 77 -21.690 -0.409 -0.682 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -21.924 1.059 -2.711 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -21.165 1.914 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -20.163 1.319 -2.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -21.723 -1.321 -2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -19.946 -1.223 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -20.748 -2.307 -1.868 1.00 0.00 H new ATOM 1243 N ASP A 78 -19.103 -2.431 0.400 1.00 0.00 N ATOM 1244 CA ASP A 78 -19.093 -3.556 1.349 1.00 0.00 C ATOM 1245 C ASP A 78 -17.958 -3.466 2.393 1.00 0.00 C ATOM 1246 O ASP A 78 -17.938 -4.241 3.353 1.00 0.00 O ATOM 1247 CB ASP A 78 -18.979 -4.871 0.564 1.00 0.00 C ATOM 1248 CG ASP A 78 -20.202 -5.129 -0.330 1.00 0.00 C ATOM 1249 OD1 ASP A 78 -21.329 -5.273 0.204 1.00 0.00 O ATOM 1250 OD2 ASP A 78 -20.035 -5.219 -1.569 1.00 0.00 O ATOM 0 H ASP A 78 -18.581 -2.621 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 78 -20.028 -3.517 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -18.081 -4.846 -0.053 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -18.863 -5.699 1.263 1.00 0.00 H new ATOM 1255 N GLY A 79 -17.009 -2.538 2.218 1.00 0.00 N ATOM 1256 CA GLY A 79 -15.858 -2.339 3.107 1.00 0.00 C ATOM 1257 C GLY A 79 -14.611 -3.144 2.710 1.00 0.00 C ATOM 1258 O GLY A 79 -13.664 -3.227 3.495 1.00 0.00 O ATOM 0 H GLY A 79 -17.021 -1.887 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.603 -1.279 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -16.145 -2.612 4.122 1.00 0.00 H new ATOM 1262 N GLN A 80 -14.602 -3.751 1.515 1.00 0.00 N ATOM 1263 CA GLN A 80 -13.430 -4.456 0.973 1.00 0.00 C ATOM 1264 C GLN A 80 -12.292 -3.470 0.652 1.00 0.00 C ATOM 1265 O GLN A 80 -12.535 -2.286 0.441 1.00 0.00 O ATOM 1266 CB GLN A 80 -13.809 -5.261 -0.283 1.00 0.00 C ATOM 1267 CG GLN A 80 -14.966 -6.249 -0.063 1.00 0.00 C ATOM 1268 CD GLN A 80 -15.164 -7.161 -1.274 1.00 0.00 C ATOM 1269 OE1 GLN A 80 -14.434 -8.120 -1.488 1.00 0.00 O ATOM 1270 NE2 GLN A 80 -16.147 -6.905 -2.117 1.00 0.00 N ATOM 0 H GLN A 80 -15.411 -3.767 0.894 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.077 -5.150 1.736 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -14.082 -4.568 -1.078 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.934 -5.812 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.765 -6.855 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -15.885 -5.697 0.132 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -16.765 -6.110 -1.954 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -16.289 -7.502 -2.932 1.00 0.00 H new ATOM 1279 N MET A 81 -11.053 -3.966 0.575 1.00 0.00 N ATOM 1280 CA MET A 81 -9.819 -3.179 0.411 1.00 0.00 C ATOM 1281 C MET A 81 -9.025 -3.699 -0.799 1.00 0.00 C ATOM 1282 O MET A 81 -7.995 -4.364 -0.659 1.00 0.00 O ATOM 1283 CB MET A 81 -9.002 -3.216 1.715 1.00 0.00 C ATOM 1284 CG MET A 81 -9.669 -2.431 2.853 1.00 0.00 C ATOM 1285 SD MET A 81 -9.063 -2.869 4.505 1.00 0.00 S ATOM 1286 CE MET A 81 -10.080 -4.346 4.800 1.00 0.00 C ATOM 0 H MET A 81 -10.871 -4.968 0.627 1.00 0.00 H new ATOM 0 HA MET A 81 -10.062 -2.136 0.211 1.00 0.00 H new ATOM 0 HB2 MET A 81 -8.866 -4.252 2.025 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.009 -2.806 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 81 -9.508 -1.366 2.689 1.00 0.00 H new ATOM 0 HG3 MET A 81 -10.745 -2.600 2.815 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.844 -4.760 5.780 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.135 -4.074 4.765 1.00 0.00 H new ATOM 0 HE3 MET A 81 -9.871 -5.091 4.032 1.00 0.00 H new ATOM 1296 N LEU A 82 -9.552 -3.440 -1.999 1.00 0.00 N ATOM 1297 CA LEU A 82 -9.071 -4.007 -3.271 1.00 0.00 C ATOM 1298 C LEU A 82 -8.436 -2.910 -4.148 1.00 0.00 C ATOM 1299 O LEU A 82 -8.859 -1.751 -4.060 1.00 0.00 O ATOM 1300 CB LEU A 82 -10.246 -4.681 -4.018 1.00 0.00 C ATOM 1301 CG LEU A 82 -11.159 -5.592 -3.175 1.00 0.00 C ATOM 1302 CD1 LEU A 82 -12.261 -6.191 -4.048 1.00 0.00 C ATOM 1303 CD2 LEU A 82 -10.410 -6.744 -2.500 1.00 0.00 C ATOM 0 H LEU A 82 -10.347 -2.813 -2.120 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.308 -4.755 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -10.861 -3.899 -4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.836 -5.271 -4.838 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.575 -4.955 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.899 -6.832 -3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.859 -5.389 -4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.812 -6.780 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.112 -7.346 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.938 -7.366 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.646 -6.341 -1.835 1.00 0.00 H new ATOM 1315 N PRO A 83 -7.433 -3.236 -4.989 1.00 0.00 N ATOM 1316 CA PRO A 83 -6.798 -2.262 -5.873 1.00 0.00 C ATOM 1317 C PRO A 83 -7.797 -1.758 -6.915 1.00 0.00 C ATOM 1318 O PRO A 83 -8.684 -2.497 -7.341 1.00 0.00 O ATOM 1319 CB PRO A 83 -5.609 -2.982 -6.519 1.00 0.00 C ATOM 1320 CG PRO A 83 -6.010 -4.456 -6.471 1.00 0.00 C ATOM 1321 CD PRO A 83 -6.883 -4.565 -5.220 1.00 0.00 C ATOM 0 HA PRO A 83 -6.457 -1.381 -5.330 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.444 -2.645 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -4.685 -2.800 -5.971 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.558 -4.749 -7.366 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.137 -5.105 -6.405 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.679 -5.296 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.296 -4.897 -4.364 1.00 0.00 H new ATOM 1329 N ILE A 84 -7.650 -0.512 -7.366 1.00 0.00 N ATOM 1330 CA ILE A 84 -8.577 0.088 -8.338 1.00 0.00 C ATOM 1331 C ILE A 84 -8.686 -0.682 -9.672 1.00 0.00 C ATOM 1332 O ILE A 84 -9.752 -0.719 -10.288 1.00 0.00 O ATOM 1333 CB ILE A 84 -8.234 1.576 -8.520 1.00 0.00 C ATOM 1334 CG1 ILE A 84 -9.411 2.244 -9.233 1.00 0.00 C ATOM 1335 CG2 ILE A 84 -6.896 1.788 -9.240 1.00 0.00 C ATOM 1336 CD1 ILE A 84 -9.336 3.763 -9.284 1.00 0.00 C ATOM 0 H ILE A 84 -6.894 0.108 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.583 0.010 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.091 2.044 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.467 1.861 -10.252 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -10.335 1.955 -8.732 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.703 2.856 -9.342 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.095 1.328 -8.662 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.938 1.331 -10.229 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -10.209 4.153 -9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -9.313 4.160 -8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.432 4.065 -9.813 1.00 0.00 H new ATOM 1348 N ASP A 85 -7.619 -1.378 -10.066 1.00 0.00 N ATOM 1349 CA ASP A 85 -7.610 -2.336 -11.183 1.00 0.00 C ATOM 1350 C ASP A 85 -8.682 -3.439 -11.041 1.00 0.00 C ATOM 1351 O ASP A 85 -9.287 -3.859 -12.030 1.00 0.00 O ATOM 1352 CB ASP A 85 -6.214 -2.964 -11.250 1.00 0.00 C ATOM 1353 CG ASP A 85 -6.103 -4.034 -12.350 1.00 0.00 C ATOM 1354 OD1 ASP A 85 -6.079 -3.668 -13.548 1.00 0.00 O ATOM 1355 OD2 ASP A 85 -5.973 -5.236 -12.014 1.00 0.00 O ATOM 0 H ASP A 85 -6.712 -1.292 -9.608 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.850 -1.799 -12.100 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.476 -2.183 -11.431 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.974 -3.412 -10.286 1.00 0.00 H new ATOM 1360 N GLU A 86 -8.953 -3.877 -9.809 1.00 0.00 N ATOM 1361 CA GLU A 86 -9.995 -4.859 -9.492 1.00 0.00 C ATOM 1362 C GLU A 86 -11.399 -4.231 -9.555 1.00 0.00 C ATOM 1363 O GLU A 86 -12.344 -4.865 -10.033 1.00 0.00 O ATOM 1364 CB GLU A 86 -9.738 -5.428 -8.081 1.00 0.00 C ATOM 1365 CG GLU A 86 -10.431 -6.773 -7.824 1.00 0.00 C ATOM 1366 CD GLU A 86 -9.452 -7.964 -7.878 1.00 0.00 C ATOM 1367 OE1 GLU A 86 -8.739 -8.139 -8.895 1.00 0.00 O ATOM 1368 OE2 GLU A 86 -9.400 -8.751 -6.901 1.00 0.00 O ATOM 0 H GLU A 86 -8.444 -3.553 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.956 -5.658 -10.233 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.664 -5.549 -7.937 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.079 -4.706 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.914 -6.748 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -11.217 -6.920 -8.564 1.00 0.00 H new ATOM 1375 N ILE A 87 -11.539 -2.975 -9.107 1.00 0.00 N ATOM 1376 CA ILE A 87 -12.817 -2.256 -9.026 1.00 0.00 C ATOM 1377 C ILE A 87 -13.343 -1.964 -10.436 1.00 0.00 C ATOM 1378 O ILE A 87 -14.542 -2.103 -10.684 1.00 0.00 O ATOM 1379 CB ILE A 87 -12.627 -0.963 -8.194 1.00 0.00 C ATOM 1380 CG1 ILE A 87 -12.102 -1.320 -6.780 1.00 0.00 C ATOM 1381 CG2 ILE A 87 -13.904 -0.102 -8.085 1.00 0.00 C ATOM 1382 CD1 ILE A 87 -11.804 -0.118 -5.883 1.00 0.00 C ATOM 0 H ILE A 87 -10.748 -2.419 -8.784 1.00 0.00 H new ATOM 0 HA ILE A 87 -13.563 -2.871 -8.523 1.00 0.00 H new ATOM 0 HB ILE A 87 -11.896 -0.356 -8.728 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -12.838 -1.952 -6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.193 -1.912 -6.884 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -13.694 0.786 -7.489 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -14.226 0.198 -9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -14.694 -0.682 -7.607 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.442 -0.467 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -11.043 0.506 -6.352 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.714 0.465 -5.741 1.00 0.00 H new ATOM 1394 N PHE A 88 -12.457 -1.621 -11.377 1.00 0.00 N ATOM 1395 CA PHE A 88 -12.824 -1.351 -12.772 1.00 0.00 C ATOM 1396 C PHE A 88 -13.399 -2.582 -13.504 1.00 0.00 C ATOM 1397 O PHE A 88 -14.342 -2.439 -14.284 1.00 0.00 O ATOM 1398 CB PHE A 88 -11.606 -0.776 -13.508 1.00 0.00 C ATOM 1399 CG PHE A 88 -11.874 -0.370 -14.948 1.00 0.00 C ATOM 1400 CD1 PHE A 88 -12.644 0.776 -15.240 1.00 0.00 C ATOM 1401 CD2 PHE A 88 -11.360 -1.149 -16.001 1.00 0.00 C ATOM 1402 CE1 PHE A 88 -12.880 1.147 -16.576 1.00 0.00 C ATOM 1403 CE2 PHE A 88 -11.597 -0.777 -17.338 1.00 0.00 C ATOM 1404 CZ PHE A 88 -12.353 0.373 -17.625 1.00 0.00 C ATOM 0 H PHE A 88 -11.459 -1.522 -11.191 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.632 -0.620 -12.768 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.243 0.094 -12.960 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.807 -1.517 -13.495 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.053 1.370 -14.436 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.782 -2.035 -15.783 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -13.466 2.027 -16.796 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -11.198 -1.375 -18.144 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.529 0.662 -18.651 1.00 0.00 H new ATOM 1414 N GLU A 89 -12.884 -3.792 -13.242 1.00 0.00 N ATOM 1415 CA GLU A 89 -13.386 -5.021 -13.883 1.00 0.00 C ATOM 1416 C GLU A 89 -14.735 -5.493 -13.316 1.00 0.00 C ATOM 1417 O GLU A 89 -15.645 -5.809 -14.089 1.00 0.00 O ATOM 1418 CB GLU A 89 -12.370 -6.168 -13.756 1.00 0.00 C ATOM 1419 CG GLU A 89 -11.162 -6.003 -14.684 1.00 0.00 C ATOM 1420 CD GLU A 89 -10.366 -7.319 -14.774 1.00 0.00 C ATOM 1421 OE1 GLU A 89 -9.624 -7.664 -13.823 1.00 0.00 O ATOM 1422 OE2 GLU A 89 -10.486 -8.032 -15.803 1.00 0.00 O ATOM 0 H GLU A 89 -12.117 -3.948 -12.588 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.533 -4.762 -14.931 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.023 -6.226 -12.724 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.867 -7.112 -13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.497 -5.705 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.517 -5.206 -14.313 1.00 0.00 H new ATOM 1429 N ARG A 90 -14.886 -5.535 -11.982 1.00 0.00 N ATOM 1430 CA ARG A 90 -16.149 -5.900 -11.319 1.00 0.00 C ATOM 1431 C ARG A 90 -17.173 -4.757 -11.274 1.00 0.00 C ATOM 1432 O ARG A 90 -18.312 -4.984 -10.860 1.00 0.00 O ATOM 1433 CB ARG A 90 -15.851 -6.454 -9.917 1.00 0.00 C ATOM 1434 CG ARG A 90 -15.154 -7.821 -9.949 1.00 0.00 C ATOM 1435 CD ARG A 90 -13.629 -7.722 -9.953 1.00 0.00 C ATOM 1436 NE ARG A 90 -12.993 -9.053 -9.881 1.00 0.00 N ATOM 1437 CZ ARG A 90 -11.831 -9.400 -10.405 1.00 0.00 C ATOM 1438 NH1 ARG A 90 -11.102 -8.562 -11.090 1.00 0.00 N ATOM 1439 NH2 ARG A 90 -11.371 -10.608 -10.251 1.00 0.00 N ATOM 0 H ARG A 90 -14.132 -5.316 -11.330 1.00 0.00 H new ATOM 0 HA ARG A 90 -16.621 -6.676 -11.922 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -15.223 -5.745 -9.378 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -16.784 -6.541 -9.361 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.471 -8.403 -9.084 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.478 -8.366 -10.836 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.300 -7.211 -10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -13.302 -7.117 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.503 -9.778 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.425 -7.605 -11.235 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.209 -8.864 -11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.909 -11.295 -9.722 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.473 -10.868 -10.659 1.00 0.00 H new ATOM 1453 N GLU A 91 -16.796 -3.554 -11.720 1.00 0.00 N ATOM 1454 CA GLU A 91 -17.639 -2.348 -11.750 1.00 0.00 C ATOM 1455 C GLU A 91 -18.202 -1.984 -10.357 1.00 0.00 C ATOM 1456 O GLU A 91 -19.347 -1.540 -10.219 1.00 0.00 O ATOM 1457 CB GLU A 91 -18.716 -2.463 -12.852 1.00 0.00 C ATOM 1458 CG GLU A 91 -18.136 -2.813 -14.232 1.00 0.00 C ATOM 1459 CD GLU A 91 -19.203 -2.687 -15.335 1.00 0.00 C ATOM 1460 OE1 GLU A 91 -20.135 -3.528 -15.391 1.00 0.00 O ATOM 1461 OE2 GLU A 91 -19.121 -1.745 -16.161 1.00 0.00 O ATOM 0 H GLU A 91 -15.859 -3.384 -12.085 1.00 0.00 H new ATOM 0 HA GLU A 91 -17.010 -1.500 -12.018 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.440 -3.226 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.258 -1.520 -12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.299 -2.152 -14.455 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.744 -3.830 -14.217 1.00 0.00 H new ATOM 1468 N LEU A 92 -17.401 -2.220 -9.310 1.00 0.00 N ATOM 1469 CA LEU A 92 -17.769 -1.979 -7.911 1.00 0.00 C ATOM 1470 C LEU A 92 -17.959 -0.477 -7.647 1.00 0.00 C ATOM 1471 O LEU A 92 -17.108 0.345 -7.999 1.00 0.00 O ATOM 1472 CB LEU A 92 -16.700 -2.556 -6.957 1.00 0.00 C ATOM 1473 CG LEU A 92 -16.392 -4.048 -7.149 1.00 0.00 C ATOM 1474 CD1 LEU A 92 -15.236 -4.493 -6.253 1.00 0.00 C ATOM 1475 CD2 LEU A 92 -17.596 -4.943 -6.854 1.00 0.00 C ATOM 0 H LEU A 92 -16.457 -2.592 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 92 -18.715 -2.486 -7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -15.777 -1.991 -7.086 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -17.029 -2.398 -5.930 1.00 0.00 H new ATOM 0 HG LEU A 92 -16.123 -4.159 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.041 -5.554 -6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.343 -3.919 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.499 -4.324 -5.209 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -17.320 -5.986 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -17.912 -4.798 -5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -18.415 -4.683 -7.524 1.00 0.00 H new ATOM 1487 N ASP A 93 -19.060 -0.112 -6.994 1.00 0.00 N ATOM 1488 CA ASP A 93 -19.268 1.254 -6.515 1.00 0.00 C ATOM 1489 C ASP A 93 -18.409 1.519 -5.263 1.00 0.00 C ATOM 1490 O ASP A 93 -18.335 0.678 -4.355 1.00 0.00 O ATOM 1491 CB ASP A 93 -20.752 1.480 -6.196 1.00 0.00 C ATOM 1492 CG ASP A 93 -21.676 1.115 -7.372 1.00 0.00 C ATOM 1493 OD1 ASP A 93 -21.715 1.861 -8.377 1.00 0.00 O ATOM 1494 OD2 ASP A 93 -22.400 0.094 -7.272 1.00 0.00 O ATOM 0 H ASP A 93 -19.828 -0.749 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 93 -18.966 1.949 -7.298 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -21.027 0.885 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -20.907 2.525 -5.929 1.00 0.00 H new ATOM 1499 N LEU A 94 -17.764 2.686 -5.182 1.00 0.00 N ATOM 1500 CA LEU A 94 -17.127 3.137 -3.947 1.00 0.00 C ATOM 1501 C LEU A 94 -18.169 3.504 -2.883 1.00 0.00 C ATOM 1502 O LEU A 94 -19.285 3.937 -3.194 1.00 0.00 O ATOM 1503 CB LEU A 94 -16.258 4.361 -4.246 1.00 0.00 C ATOM 1504 CG LEU A 94 -14.846 4.055 -4.726 1.00 0.00 C ATOM 1505 CD1 LEU A 94 -13.943 3.631 -3.579 1.00 0.00 C ATOM 1506 CD2 LEU A 94 -14.681 3.055 -5.873 1.00 0.00 C ATOM 0 H LEU A 94 -17.670 3.336 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 94 -16.516 2.322 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -16.758 4.965 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -16.194 4.969 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 94 -14.550 5.016 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -12.944 3.421 -3.961 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -13.889 4.433 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -14.348 2.734 -3.110 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -13.622 2.939 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.096 2.091 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -15.207 3.422 -6.754 1.00 0.00 H new ATOM 1518 N MET A 95 -17.779 3.379 -1.614 1.00 0.00 N ATOM 1519 CA MET A 95 -18.565 3.908 -0.500 1.00 0.00 C ATOM 1520 C MET A 95 -18.503 5.450 -0.483 1.00 0.00 C ATOM 1521 O MET A 95 -17.496 6.040 -0.878 1.00 0.00 O ATOM 1522 CB MET A 95 -18.032 3.319 0.814 1.00 0.00 C ATOM 1523 CG MET A 95 -19.085 3.373 1.930 1.00 0.00 C ATOM 1524 SD MET A 95 -18.457 3.029 3.601 1.00 0.00 S ATOM 1525 CE MET A 95 -17.711 1.391 3.378 1.00 0.00 C ATOM 0 H MET A 95 -16.917 2.912 -1.331 1.00 0.00 H new ATOM 0 HA MET A 95 -19.610 3.621 -0.619 1.00 0.00 H new ATOM 0 HB2 MET A 95 -17.727 2.285 0.652 1.00 0.00 H new ATOM 0 HB3 MET A 95 -17.144 3.869 1.125 1.00 0.00 H new ATOM 0 HG2 MET A 95 -19.544 4.362 1.928 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.873 2.656 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 95 -17.333 1.030 4.334 1.00 0.00 H new ATOM 0 HE2 MET A 95 -18.462 0.697 3.000 1.00 0.00 H new ATOM 0 HE3 MET A 95 -16.889 1.459 2.665 1.00 0.00 H new ATOM 1535 N ARG A 96 -19.564 6.094 0.025 1.00 0.00 N ATOM 1536 CA ARG A 96 -19.669 7.554 0.226 1.00 0.00 C ATOM 1537 C ARG A 96 -19.991 7.928 1.681 1.00 0.00 C ATOM 1538 O ARG A 96 -20.525 7.119 2.440 1.00 0.00 O ATOM 1539 CB ARG A 96 -20.688 8.184 -0.753 1.00 0.00 C ATOM 1540 CG ARG A 96 -22.093 7.566 -0.701 1.00 0.00 C ATOM 1541 CD ARG A 96 -22.240 6.306 -1.570 1.00 0.00 C ATOM 1542 NE ARG A 96 -22.969 5.246 -0.834 1.00 0.00 N ATOM 1543 CZ ARG A 96 -24.280 5.062 -0.755 1.00 0.00 C ATOM 1544 NH1 ARG A 96 -25.139 5.838 -1.345 1.00 0.00 N ATOM 1545 NH2 ARG A 96 -24.757 4.065 -0.068 1.00 0.00 N ATOM 0 H ARG A 96 -20.405 5.598 0.319 1.00 0.00 H new ATOM 0 HA ARG A 96 -18.686 7.970 0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -20.766 9.250 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -20.302 8.091 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -22.333 7.315 0.332 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -22.821 8.309 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -22.774 6.551 -2.488 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -21.255 5.942 -1.862 1.00 0.00 H new ATOM 0 HE ARG A 96 -22.392 4.576 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -24.814 6.630 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.138 5.655 -1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -24.123 3.425 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -25.765 3.924 -0.007 1.00 0.00 H new ATOM 1559 N VAL A 97 -19.727 9.191 2.023 1.00 0.00 N ATOM 1560 CA VAL A 97 -19.969 9.802 3.354 1.00 0.00 C ATOM 1561 C VAL A 97 -21.047 10.897 3.356 1.00 0.00 C ATOM 1562 O VAL A 97 -21.550 11.260 4.419 1.00 0.00 O ATOM 1563 CB VAL A 97 -18.669 10.363 3.966 1.00 0.00 C ATOM 1564 CG1 VAL A 97 -17.603 9.276 4.132 1.00 0.00 C ATOM 1565 CG2 VAL A 97 -18.103 11.569 3.204 1.00 0.00 C ATOM 0 H VAL A 97 -19.322 9.852 1.361 1.00 0.00 H new ATOM 0 HA VAL A 97 -20.344 8.983 3.968 1.00 0.00 H new ATOM 0 HB VAL A 97 -18.949 10.726 4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -16.703 9.712 4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -17.981 8.493 4.790 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -17.365 8.848 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -17.189 11.911 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -17.881 11.279 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -18.836 12.375 3.202 1.00 0.00 H new ATOM 1575 N ASP A 98 -21.451 11.386 2.175 1.00 0.00 N ATOM 1576 CA ASP A 98 -22.462 12.446 1.998 1.00 0.00 C ATOM 1577 C ASP A 98 -23.784 11.920 1.401 1.00 0.00 C ATOM 1578 O ASP A 98 -24.656 12.698 1.007 1.00 0.00 O ATOM 1579 CB ASP A 98 -21.857 13.584 1.155 1.00 0.00 C ATOM 1580 CG ASP A 98 -20.790 14.374 1.929 1.00 0.00 C ATOM 1581 OD1 ASP A 98 -21.138 15.023 2.946 1.00 0.00 O ATOM 1582 OD2 ASP A 98 -19.611 14.386 1.503 1.00 0.00 O ATOM 0 H ASP A 98 -21.075 11.047 1.289 1.00 0.00 H new ATOM 0 HA ASP A 98 -22.729 12.833 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.414 13.168 0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -22.650 14.261 0.839 1.00 0.00 H new ATOM 1587 N ASN A 99 -23.948 10.586 1.344 1.00 0.00 N ATOM 1588 CA ASN A 99 -25.173 9.887 0.886 1.00 0.00 C ATOM 1589 C ASN A 99 -25.485 10.148 -0.597 1.00 0.00 C ATOM 1590 O ASN A 99 -26.627 10.061 -1.060 1.00 0.00 O ATOM 1591 CB ASN A 99 -26.348 10.141 1.859 1.00 0.00 C ATOM 1592 CG ASN A 99 -25.868 10.163 3.298 1.00 0.00 C ATOM 1593 OD1 ASN A 99 -26.019 11.136 4.025 1.00 0.00 O ATOM 1594 ND2 ASN A 99 -25.139 9.145 3.695 1.00 0.00 N ATOM 0 H ASN A 99 -23.210 9.939 1.624 1.00 0.00 H new ATOM 0 HA ASN A 99 -24.991 8.813 0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -26.826 11.090 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -27.102 9.363 1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -24.695 9.163 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -25.017 8.337 3.085 1.00 0.00 H new ATOM 1601 N LEU A 100 -24.411 10.454 -1.326 1.00 0.00 N ATOM 1602 CA LEU A 100 -24.367 10.541 -2.792 1.00 0.00 C ATOM 1603 C LEU A 100 -24.847 9.235 -3.464 1.00 0.00 C ATOM 1604 O LEU A 100 -24.755 8.163 -2.853 1.00 0.00 O ATOM 1605 CB LEU A 100 -22.922 10.863 -3.223 1.00 0.00 C ATOM 1606 CG LEU A 100 -22.471 12.305 -2.935 1.00 0.00 C ATOM 1607 CD1 LEU A 100 -20.995 12.439 -3.294 1.00 0.00 C ATOM 1608 CD2 LEU A 100 -23.248 13.339 -3.753 1.00 0.00 C ATOM 0 H LEU A 100 -23.509 10.657 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 100 -25.045 11.331 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -22.244 10.177 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -22.825 10.673 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 100 -22.655 12.497 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -20.663 13.458 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -20.410 11.742 -2.694 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -20.856 12.213 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -22.889 14.339 -3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -23.100 13.148 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -24.310 13.267 -3.516 1.00 0.00 H new ATOM 1620 N PRO A 101 -25.308 9.281 -4.728 1.00 0.00 N ATOM 1621 CA PRO A 101 -25.704 8.083 -5.469 1.00 0.00 C ATOM 1622 C PRO A 101 -24.495 7.161 -5.681 1.00 0.00 C ATOM 1623 O PRO A 101 -23.383 7.635 -5.925 1.00 0.00 O ATOM 1624 CB PRO A 101 -26.289 8.598 -6.788 1.00 0.00 C ATOM 1625 CG PRO A 101 -25.608 9.952 -6.995 1.00 0.00 C ATOM 1626 CD PRO A 101 -25.399 10.464 -5.571 1.00 0.00 C ATOM 0 HA PRO A 101 -26.439 7.481 -4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -26.078 7.916 -7.611 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -27.373 8.702 -6.730 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -24.663 9.849 -7.528 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -26.231 10.630 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -24.491 11.063 -5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -26.227 11.102 -5.260 1.00 0.00 H new ATOM 1634 N ASN A 102 -24.693 5.843 -5.586 1.00 0.00 N ATOM 1635 CA ASN A 102 -23.627 4.875 -5.868 1.00 0.00 C ATOM 1636 C ASN A 102 -23.231 4.919 -7.355 1.00 0.00 C ATOM 1637 O ASN A 102 -24.084 4.837 -8.246 1.00 0.00 O ATOM 1638 CB ASN A 102 -24.053 3.461 -5.448 1.00 0.00 C ATOM 1639 CG ASN A 102 -24.077 3.263 -3.944 1.00 0.00 C ATOM 1640 OD1 ASN A 102 -25.107 2.963 -3.357 1.00 0.00 O ATOM 1641 ND2 ASN A 102 -22.957 3.407 -3.261 1.00 0.00 N ATOM 0 H ASN A 102 -25.581 5.421 -5.316 1.00 0.00 H new ATOM 0 HA ASN A 102 -22.750 5.148 -5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -25.044 3.253 -5.851 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -23.370 2.736 -5.892 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -22.954 3.268 -2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -22.094 3.657 -3.744 1.00 0.00 H new ATOM 1648 N ILE A 103 -21.925 5.053 -7.595 1.00 0.00 N ATOM 1649 CA ILE A 103 -21.292 5.236 -8.906 1.00 0.00 C ATOM 1650 C ILE A 103 -19.913 4.565 -8.918 1.00 0.00 C ATOM 1651 O ILE A 103 -19.229 4.497 -7.888 1.00 0.00 O ATOM 1652 CB ILE A 103 -21.189 6.740 -9.278 1.00 0.00 C ATOM 1653 CG1 ILE A 103 -20.633 7.603 -8.118 1.00 0.00 C ATOM 1654 CG2 ILE A 103 -22.549 7.264 -9.773 1.00 0.00 C ATOM 1655 CD1 ILE A 103 -20.602 9.109 -8.395 1.00 0.00 C ATOM 0 H ILE A 103 -21.241 5.036 -6.838 1.00 0.00 H new ATOM 0 HA ILE A 103 -21.917 4.761 -9.662 1.00 0.00 H new ATOM 0 HB ILE A 103 -20.468 6.827 -10.091 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -21.237 7.424 -7.229 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -19.621 7.269 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -22.461 8.320 -10.030 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -22.857 6.701 -10.654 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -23.294 7.143 -8.986 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -20.198 9.630 -7.527 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -19.972 9.306 -9.263 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -21.614 9.463 -8.593 1.00 0.00 H new ATOM 1667 N LYS A 104 -19.493 4.097 -10.096 1.00 0.00 N ATOM 1668 CA LYS A 104 -18.227 3.383 -10.325 1.00 0.00 C ATOM 1669 C LYS A 104 -17.323 4.149 -11.295 1.00 0.00 C ATOM 1670 O LYS A 104 -17.664 5.239 -11.757 1.00 0.00 O ATOM 1671 CB LYS A 104 -18.528 1.914 -10.704 1.00 0.00 C ATOM 1672 CG LYS A 104 -19.232 1.625 -12.047 1.00 0.00 C ATOM 1673 CD LYS A 104 -18.297 1.709 -13.264 1.00 0.00 C ATOM 1674 CE LYS A 104 -18.852 0.987 -14.502 1.00 0.00 C ATOM 1675 NZ LYS A 104 -19.586 1.890 -15.429 1.00 0.00 N ATOM 0 H LYS A 104 -20.042 4.207 -10.949 1.00 0.00 H new ATOM 0 HA LYS A 104 -17.638 3.338 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -17.582 1.372 -10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -19.141 1.487 -9.911 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -19.675 0.630 -12.008 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -20.050 2.333 -12.178 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -18.123 2.757 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -17.330 1.278 -13.002 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -18.029 0.517 -15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -19.520 0.188 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -19.935 1.344 -16.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -20.391 2.320 -14.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -18.946 2.639 -15.764 1.00 0.00 H new ATOM 1689 N ILE A 105 -16.144 3.594 -11.579 1.00 0.00 N ATOM 1690 CA ILE A 105 -15.148 4.184 -12.489 1.00 0.00 C ATOM 1691 C ILE A 105 -15.721 4.265 -13.918 1.00 0.00 C ATOM 1692 O ILE A 105 -15.861 3.255 -14.611 1.00 0.00 O ATOM 1693 CB ILE A 105 -13.848 3.356 -12.464 1.00 0.00 C ATOM 1694 CG1 ILE A 105 -13.257 3.194 -11.047 1.00 0.00 C ATOM 1695 CG2 ILE A 105 -12.791 3.996 -13.388 1.00 0.00 C ATOM 1696 CD1 ILE A 105 -12.383 1.950 -10.929 1.00 0.00 C ATOM 0 H ILE A 105 -15.844 2.705 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 105 -14.914 5.195 -12.155 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.112 2.360 -12.820 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -12.667 4.076 -10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -14.068 3.137 -10.321 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.877 3.402 -13.362 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.173 4.030 -14.408 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.575 5.009 -13.047 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -11.989 1.877 -9.915 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.978 1.065 -11.151 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.556 2.018 -11.636 1.00 0.00 H new ATOM 1708 N ALA A 106 -16.076 5.472 -14.344 1.00 0.00 N ATOM 1709 CA ALA A 106 -16.668 5.764 -15.649 1.00 0.00 C ATOM 1710 C ALA A 106 -15.658 5.552 -16.788 1.00 0.00 C ATOM 1711 O ALA A 106 -15.986 4.962 -17.822 1.00 0.00 O ATOM 1712 CB ALA A 106 -17.168 7.212 -15.633 1.00 0.00 C ATOM 0 H ALA A 106 -15.956 6.307 -13.770 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.497 5.080 -15.831 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -17.614 7.453 -16.598 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -17.915 7.330 -14.848 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -16.331 7.884 -15.442 1.00 0.00 H new ATOM 1718 N THR A 107 -14.421 6.005 -16.566 1.00 0.00 N ATOM 1719 CA THR A 107 -13.283 5.897 -17.495 1.00 0.00 C ATOM 1720 C THR A 107 -11.957 5.798 -16.733 1.00 0.00 C ATOM 1721 O THR A 107 -11.797 6.361 -15.643 1.00 0.00 O ATOM 1722 CB THR A 107 -13.200 7.099 -18.465 1.00 0.00 C ATOM 1723 OG1 THR A 107 -13.411 8.331 -17.805 1.00 0.00 O ATOM 1724 CG2 THR A 107 -14.221 7.016 -19.601 1.00 0.00 C ATOM 0 H THR A 107 -14.170 6.478 -15.698 1.00 0.00 H new ATOM 0 HA THR A 107 -13.452 4.989 -18.074 1.00 0.00 H new ATOM 0 HB THR A 107 -12.190 7.052 -18.873 1.00 0.00 H new ATOM 0 HG1 THR A 107 -13.349 9.064 -18.453 1.00 0.00 H new ATOM 0 HG21 THR A 107 -14.116 7.886 -20.249 1.00 0.00 H new ATOM 0 HG22 THR A 107 -14.048 6.109 -20.180 1.00 0.00 H new ATOM 0 HG23 THR A 107 -15.228 6.994 -19.184 1.00 0.00 H new ATOM 1732 N ARG A 108 -10.995 5.088 -17.337 1.00 0.00 N ATOM 1733 CA ARG A 108 -9.620 4.908 -16.848 1.00 0.00 C ATOM 1734 C ARG A 108 -8.634 4.888 -18.023 1.00 0.00 C ATOM 1735 O ARG A 108 -8.938 4.348 -19.090 1.00 0.00 O ATOM 1736 CB ARG A 108 -9.543 3.601 -16.031 1.00 0.00 C ATOM 1737 CG ARG A 108 -8.192 3.407 -15.311 1.00 0.00 C ATOM 1738 CD ARG A 108 -8.002 2.001 -14.738 1.00 0.00 C ATOM 1739 NE ARG A 108 -8.071 0.977 -15.802 1.00 0.00 N ATOM 1740 CZ ARG A 108 -7.114 0.584 -16.625 1.00 0.00 C ATOM 1741 NH1 ARG A 108 -5.886 1.009 -16.521 1.00 0.00 N ATOM 1742 NH2 ARG A 108 -7.377 -0.245 -17.592 1.00 0.00 N ATOM 0 H ARG A 108 -11.160 4.602 -18.218 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.345 5.743 -16.204 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.344 3.595 -15.292 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -9.717 2.755 -16.696 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.383 3.618 -16.010 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.112 4.134 -14.503 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.039 1.939 -14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.769 1.804 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.973 0.514 -15.916 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.635 1.669 -15.785 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.176 0.682 -17.176 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.326 -0.596 -17.719 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.634 -0.544 -18.223 1.00 0.00 H new ATOM 1756 N LYS A 109 -7.445 5.457 -17.806 1.00 0.00 N ATOM 1757 CA LYS A 109 -6.303 5.485 -18.741 1.00 0.00 C ATOM 1758 C LYS A 109 -5.002 5.755 -17.974 1.00 0.00 C ATOM 1759 O LYS A 109 -5.025 6.460 -16.965 1.00 0.00 O ATOM 1760 CB LYS A 109 -6.547 6.594 -19.791 1.00 0.00 C ATOM 1761 CG LYS A 109 -5.713 6.430 -21.077 1.00 0.00 C ATOM 1762 CD LYS A 109 -6.243 5.336 -22.024 1.00 0.00 C ATOM 1763 CE LYS A 109 -7.511 5.751 -22.791 1.00 0.00 C ATOM 1764 NZ LYS A 109 -7.215 6.706 -23.897 1.00 0.00 N ATOM 0 H LYS A 109 -7.236 5.937 -16.930 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.211 4.521 -19.242 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -7.605 6.605 -20.054 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.320 7.561 -19.343 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -5.693 7.381 -21.610 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.684 6.195 -20.805 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.463 5.077 -22.740 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.456 4.437 -21.445 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.993 4.863 -23.200 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -8.219 6.208 -22.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.099 6.957 -24.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.779 7.566 -23.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.561 6.263 -24.573 1.00 0.00 H new ATOM 1778 N TYR A 110 -3.869 5.225 -18.435 1.00 0.00 N ATOM 1779 CA TYR A 110 -2.554 5.587 -17.890 1.00 0.00 C ATOM 1780 C TYR A 110 -2.230 7.065 -18.168 1.00 0.00 C ATOM 1781 O TYR A 110 -2.319 7.512 -19.317 1.00 0.00 O ATOM 1782 CB TYR A 110 -1.467 4.678 -18.486 1.00 0.00 C ATOM 1783 CG TYR A 110 -0.078 4.903 -17.911 1.00 0.00 C ATOM 1784 CD1 TYR A 110 0.104 4.979 -16.518 1.00 0.00 C ATOM 1785 CD2 TYR A 110 1.038 5.038 -18.763 1.00 0.00 C ATOM 1786 CE1 TYR A 110 1.380 5.212 -15.979 1.00 0.00 C ATOM 1787 CE2 TYR A 110 2.327 5.232 -18.225 1.00 0.00 C ATOM 1788 CZ TYR A 110 2.502 5.318 -16.826 1.00 0.00 C ATOM 1789 OH TYR A 110 3.738 5.511 -16.291 1.00 0.00 O ATOM 0 H TYR A 110 -3.833 4.539 -19.189 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.580 5.446 -16.810 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -1.750 3.638 -18.324 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.431 4.834 -19.564 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -0.743 4.857 -15.859 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.905 4.993 -19.834 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.502 5.310 -14.910 1.00 0.00 H new ATOM 0 HE2 TYR A 110 3.180 5.315 -18.882 1.00 0.00 H new ATOM 0 HH TYR A 110 4.402 5.561 -17.010 1.00 0.00 H new ATOM 1799 N LEU A 111 -1.852 7.824 -17.134 1.00 0.00 N ATOM 1800 CA LEU A 111 -1.469 9.236 -17.273 1.00 0.00 C ATOM 1801 C LEU A 111 0.044 9.399 -17.450 1.00 0.00 C ATOM 1802 O LEU A 111 0.497 10.166 -18.305 1.00 0.00 O ATOM 1803 CB LEU A 111 -1.892 9.993 -16.006 1.00 0.00 C ATOM 1804 CG LEU A 111 -3.410 10.099 -15.823 1.00 0.00 C ATOM 1805 CD1 LEU A 111 -3.702 10.439 -14.370 1.00 0.00 C ATOM 1806 CD2 LEU A 111 -4.010 11.188 -16.715 1.00 0.00 C ATOM 0 H LEU A 111 -1.802 7.478 -16.176 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.966 9.634 -18.158 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.465 9.493 -15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.469 10.997 -16.036 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.858 9.145 -16.102 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.779 10.518 -14.224 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.305 9.654 -13.726 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.231 11.389 -14.117 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.088 11.234 -16.558 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.565 12.151 -16.463 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.805 10.956 -17.760 1.00 0.00 H new ATOM 1818 N GLY A 112 0.815 8.699 -16.616 1.00 0.00 N ATOM 1819 CA GLY A 112 2.269 8.835 -16.523 1.00 0.00 C ATOM 1820 C GLY A 112 2.792 8.588 -15.106 1.00 0.00 C ATOM 1821 O GLY A 112 2.182 7.860 -14.322 1.00 0.00 O ATOM 0 H GLY A 112 0.436 8.005 -15.971 1.00 0.00 H new ATOM 0 HA2 GLY A 112 2.741 8.131 -17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 112 2.558 9.836 -16.844 1.00 0.00 H new ATOM 1825 N LYS A 113 3.916 9.224 -14.756 1.00 0.00 N ATOM 1826 CA LYS A 113 4.689 8.951 -13.530 1.00 0.00 C ATOM 1827 C LYS A 113 4.864 10.203 -12.668 1.00 0.00 C ATOM 1828 O LYS A 113 5.830 10.960 -12.782 1.00 0.00 O ATOM 1829 CB LYS A 113 6.029 8.298 -13.881 1.00 0.00 C ATOM 1830 CG LYS A 113 6.576 7.514 -12.676 1.00 0.00 C ATOM 1831 CD LYS A 113 8.097 7.305 -12.738 1.00 0.00 C ATOM 1832 CE LYS A 113 8.565 6.415 -13.897 1.00 0.00 C ATOM 1833 NZ LYS A 113 8.252 4.978 -13.662 1.00 0.00 N ATOM 0 H LYS A 113 4.327 9.961 -15.329 1.00 0.00 H new ATOM 0 HA LYS A 113 4.121 8.246 -12.923 1.00 0.00 H new ATOM 0 HB2 LYS A 113 5.903 7.628 -14.732 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.746 9.062 -14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.325 8.046 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 113 6.083 6.543 -12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.582 8.277 -12.823 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.430 6.863 -11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 113 8.088 6.743 -14.821 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.640 6.534 -14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.585 4.414 -14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.727 4.656 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 7.224 4.859 -13.558 1.00 0.00 H new ATOM 1847 N GLN A 114 3.864 10.431 -11.832 1.00 0.00 N ATOM 1848 CA GLN A 114 3.681 11.654 -11.046 1.00 0.00 C ATOM 1849 C GLN A 114 4.112 11.418 -9.603 1.00 0.00 C ATOM 1850 O GLN A 114 4.059 10.294 -9.097 1.00 0.00 O ATOM 1851 CB GLN A 114 2.222 12.129 -11.106 1.00 0.00 C ATOM 1852 CG GLN A 114 1.741 11.905 -12.537 1.00 0.00 C ATOM 1853 CD GLN A 114 0.468 12.575 -12.950 1.00 0.00 C ATOM 1854 OE1 GLN A 114 -0.098 13.473 -12.340 1.00 0.00 O ATOM 1855 NE2 GLN A 114 0.039 12.152 -14.110 1.00 0.00 N ATOM 0 H GLN A 114 3.125 9.746 -11.672 1.00 0.00 H new ATOM 0 HA GLN A 114 4.306 12.438 -11.474 1.00 0.00 H new ATOM 0 HB2 GLN A 114 1.606 11.573 -10.400 1.00 0.00 H new ATOM 0 HB3 GLN A 114 2.147 13.182 -10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 114 2.530 12.235 -13.213 1.00 0.00 H new ATOM 0 HG3 GLN A 114 1.621 10.832 -12.688 1.00 0.00 H new ATOM 0 HE21 GLN A 114 0.533 11.402 -14.594 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -0.789 12.572 -14.532 1.00 0.00 H new ATOM 1864 N ASN A 115 4.502 12.486 -8.913 1.00 0.00 N ATOM 1865 CA ASN A 115 4.735 12.464 -7.489 1.00 0.00 C ATOM 1866 C ASN A 115 3.443 12.080 -6.752 1.00 0.00 C ATOM 1867 O ASN A 115 2.452 12.816 -6.804 1.00 0.00 O ATOM 1868 CB ASN A 115 5.283 13.839 -7.057 1.00 0.00 C ATOM 1869 CG ASN A 115 6.336 13.672 -5.988 1.00 0.00 C ATOM 1870 OD1 ASN A 115 7.420 14.238 -6.051 1.00 0.00 O ATOM 1871 ND2 ASN A 115 6.090 12.831 -5.013 1.00 0.00 N ATOM 0 H ASN A 115 4.665 13.398 -9.341 1.00 0.00 H new ATOM 0 HA ASN A 115 5.478 11.710 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 115 5.708 14.355 -7.918 1.00 0.00 H new ATOM 0 HB3 ASN A 115 4.470 14.460 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 115 6.802 12.648 -4.306 1.00 0.00 H new ATOM 0 HD22 ASN A 115 5.187 12.360 -4.961 1.00 0.00 H new ATOM 1878 N VAL A 116 3.465 10.939 -6.056 1.00 0.00 N ATOM 1879 CA VAL A 116 2.324 10.459 -5.267 1.00 0.00 C ATOM 1880 C VAL A 116 2.715 10.267 -3.802 1.00 0.00 C ATOM 1881 O VAL A 116 3.876 10.014 -3.472 1.00 0.00 O ATOM 1882 CB VAL A 116 1.665 9.214 -5.891 1.00 0.00 C ATOM 1883 CG1 VAL A 116 0.934 9.550 -7.193 1.00 0.00 C ATOM 1884 CG2 VAL A 116 2.645 8.077 -6.202 1.00 0.00 C ATOM 0 H VAL A 116 4.275 10.321 -6.023 1.00 0.00 H new ATOM 0 HA VAL A 116 1.554 11.230 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 116 0.968 8.876 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 116 0.483 8.645 -7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 116 0.155 10.286 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.643 9.959 -7.913 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.103 7.238 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.398 8.429 -6.907 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.132 7.755 -5.282 1.00 0.00 H new ATOM 1894 N TYR A 117 1.727 10.415 -2.925 1.00 0.00 N ATOM 1895 CA TYR A 117 1.879 10.526 -1.480 1.00 0.00 C ATOM 1896 C TYR A 117 0.771 9.771 -0.742 1.00 0.00 C ATOM 1897 O TYR A 117 -0.318 9.544 -1.278 1.00 0.00 O ATOM 1898 CB TYR A 117 1.781 12.007 -1.093 1.00 0.00 C ATOM 1899 CG TYR A 117 2.568 12.969 -1.955 1.00 0.00 C ATOM 1900 CD1 TYR A 117 3.913 13.253 -1.659 1.00 0.00 C ATOM 1901 CD2 TYR A 117 1.935 13.596 -3.046 1.00 0.00 C ATOM 1902 CE1 TYR A 117 4.613 14.205 -2.423 1.00 0.00 C ATOM 1903 CE2 TYR A 117 2.633 14.548 -3.813 1.00 0.00 C ATOM 1904 CZ TYR A 117 3.967 14.876 -3.483 1.00 0.00 C ATOM 1905 OH TYR A 117 4.631 15.836 -4.184 1.00 0.00 O ATOM 0 H TYR A 117 0.751 10.463 -3.218 1.00 0.00 H new ATOM 0 HA TYR A 117 2.842 10.098 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.732 12.301 -1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 117 2.116 12.116 -0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 117 4.408 12.741 -0.847 1.00 0.00 H new ATOM 0 HD2 TYR A 117 0.914 13.346 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 117 5.647 14.423 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 117 2.150 15.027 -4.652 1.00 0.00 H new ATOM 0 HH TYR A 117 4.044 16.198 -4.880 1.00 0.00 H new ATOM 1915 N ASP A 118 1.043 9.407 0.507 1.00 0.00 N ATOM 1916 CA ASP A 118 0.100 8.700 1.362 1.00 0.00 C ATOM 1917 C ASP A 118 0.449 8.945 2.840 1.00 0.00 C ATOM 1918 O ASP A 118 1.623 9.068 3.194 1.00 0.00 O ATOM 1919 CB ASP A 118 0.154 7.204 1.012 1.00 0.00 C ATOM 1920 CG ASP A 118 -1.182 6.484 1.244 1.00 0.00 C ATOM 1921 OD1 ASP A 118 -2.047 6.993 1.994 1.00 0.00 O ATOM 1922 OD2 ASP A 118 -1.334 5.376 0.678 1.00 0.00 O ATOM 0 H ASP A 118 1.937 9.598 0.959 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.914 9.066 1.199 1.00 0.00 H new ATOM 0 HB2 ASP A 118 0.444 7.091 -0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.928 6.724 1.611 1.00 0.00 H new ATOM 1927 N ILE A 119 -0.546 9.014 3.720 1.00 0.00 N ATOM 1928 CA ILE A 119 -0.330 9.129 5.170 1.00 0.00 C ATOM 1929 C ILE A 119 -0.499 7.767 5.855 1.00 0.00 C ATOM 1930 O ILE A 119 -1.352 6.957 5.476 1.00 0.00 O ATOM 1931 CB ILE A 119 -1.230 10.211 5.798 1.00 0.00 C ATOM 1932 CG1 ILE A 119 -2.723 10.033 5.454 1.00 0.00 C ATOM 1933 CG2 ILE A 119 -0.712 11.604 5.388 1.00 0.00 C ATOM 1934 CD1 ILE A 119 -3.658 10.815 6.380 1.00 0.00 C ATOM 0 H ILE A 119 -1.530 8.992 3.453 1.00 0.00 H new ATOM 0 HA ILE A 119 0.698 9.452 5.331 1.00 0.00 H new ATOM 0 HB ILE A 119 -1.172 10.107 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -2.892 10.352 4.426 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.976 8.974 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -1.346 12.373 5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 119 0.311 11.730 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.735 11.696 4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -4.692 10.644 6.081 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -3.517 10.479 7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -3.431 11.879 6.312 1.00 0.00 H new ATOM 1946 N GLY A 120 0.314 7.509 6.880 1.00 0.00 N ATOM 1947 CA GLY A 120 0.225 6.300 7.693 1.00 0.00 C ATOM 1948 C GLY A 120 -0.631 6.517 8.939 1.00 0.00 C ATOM 1949 O GLY A 120 -0.722 7.630 9.469 1.00 0.00 O ATOM 0 H GLY A 120 1.060 8.141 7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -0.199 5.492 7.097 1.00 0.00 H new ATOM 0 HA3 GLY A 120 1.226 5.987 7.990 1.00 0.00 H new ATOM 1953 N VAL A 121 -1.251 5.437 9.414 1.00 0.00 N ATOM 1954 CA VAL A 121 -2.183 5.411 10.557 1.00 0.00 C ATOM 1955 C VAL A 121 -2.065 4.053 11.263 1.00 0.00 C ATOM 1956 O VAL A 121 -2.076 3.012 10.606 1.00 0.00 O ATOM 1957 CB VAL A 121 -3.640 5.605 10.090 1.00 0.00 C ATOM 1958 CG1 VAL A 121 -4.570 5.778 11.296 1.00 0.00 C ATOM 1959 CG2 VAL A 121 -3.871 6.806 9.161 1.00 0.00 C ATOM 0 H VAL A 121 -1.117 4.514 9.000 1.00 0.00 H new ATOM 0 HA VAL A 121 -1.924 6.224 11.235 1.00 0.00 H new ATOM 0 HB VAL A 121 -3.860 4.702 9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.594 5.914 10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -4.515 4.891 11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -4.263 6.652 11.870 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.925 6.857 8.888 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -3.584 7.724 9.674 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.268 6.690 8.260 1.00 0.00 H new ATOM 1969 N GLU A 122 -1.962 4.040 12.597 1.00 0.00 N ATOM 1970 CA GLU A 122 -1.850 2.790 13.377 1.00 0.00 C ATOM 1971 C GLU A 122 -3.206 2.080 13.579 1.00 0.00 C ATOM 1972 O GLU A 122 -3.267 0.847 13.568 1.00 0.00 O ATOM 1973 CB GLU A 122 -1.227 3.091 14.749 1.00 0.00 C ATOM 1974 CG GLU A 122 0.259 3.467 14.647 1.00 0.00 C ATOM 1975 CD GLU A 122 0.862 3.869 16.007 1.00 0.00 C ATOM 1976 OE1 GLU A 122 0.571 3.216 17.042 1.00 0.00 O ATOM 1977 OE2 GLU A 122 1.659 4.838 16.057 1.00 0.00 O ATOM 0 H GLU A 122 -1.953 4.885 13.168 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.215 2.116 12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -1.774 3.907 15.222 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.335 2.219 15.393 1.00 0.00 H new ATOM 0 HG2 GLU A 122 0.817 2.623 14.241 1.00 0.00 H new ATOM 0 HG3 GLU A 122 0.374 4.292 13.944 1.00 0.00 H new ATOM 1984 N ARG A 123 -4.287 2.854 13.764 1.00 0.00 N ATOM 1985 CA ARG A 123 -5.666 2.371 13.971 1.00 0.00 C ATOM 1986 C ARG A 123 -6.246 1.734 12.700 1.00 0.00 C ATOM 1987 O ARG A 123 -6.433 0.518 12.645 1.00 0.00 O ATOM 1988 CB ARG A 123 -6.503 3.557 14.500 1.00 0.00 C ATOM 1989 CG ARG A 123 -8.023 3.355 14.667 1.00 0.00 C ATOM 1990 CD ARG A 123 -8.429 2.226 15.622 1.00 0.00 C ATOM 1991 NE ARG A 123 -8.387 0.911 14.961 1.00 0.00 N ATOM 1992 CZ ARG A 123 -8.085 -0.262 15.484 1.00 0.00 C ATOM 1993 NH1 ARG A 123 -7.860 -0.427 16.759 1.00 0.00 N ATOM 1994 NH2 ARG A 123 -8.000 -1.307 14.715 1.00 0.00 N ATOM 0 H ARG A 123 -4.225 3.872 13.774 1.00 0.00 H new ATOM 0 HA ARG A 123 -5.684 1.569 14.709 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -6.096 3.846 15.469 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -6.351 4.400 13.826 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -8.460 4.287 15.025 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -8.457 3.155 13.687 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -7.762 2.221 16.484 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -9.435 2.412 15.998 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.622 0.906 13.969 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.915 0.370 17.394 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -7.630 -1.352 17.121 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -8.166 -1.217 13.713 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.767 -2.216 15.114 1.00 0.00 H new ATOM 2008 N ASP A 124 -6.491 2.544 11.670 1.00 0.00 N ATOM 2009 CA ASP A 124 -7.148 2.136 10.422 1.00 0.00 C ATOM 2010 C ASP A 124 -6.532 2.889 9.235 1.00 0.00 C ATOM 2011 O ASP A 124 -6.569 4.120 9.171 1.00 0.00 O ATOM 2012 CB ASP A 124 -8.659 2.404 10.506 1.00 0.00 C ATOM 2013 CG ASP A 124 -9.427 1.211 11.101 1.00 0.00 C ATOM 2014 OD1 ASP A 124 -9.473 1.054 12.345 1.00 0.00 O ATOM 2015 OD2 ASP A 124 -9.987 0.411 10.313 1.00 0.00 O ATOM 0 H ASP A 124 -6.232 3.530 11.678 1.00 0.00 H new ATOM 0 HA ASP A 124 -6.996 1.067 10.273 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -8.836 3.289 11.117 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.044 2.622 9.510 1.00 0.00 H new ATOM 2020 N HIS A 125 -5.946 2.125 8.310 1.00 0.00 N ATOM 2021 CA HIS A 125 -5.150 2.567 7.159 1.00 0.00 C ATOM 2022 C HIS A 125 -5.989 3.232 6.038 1.00 0.00 C ATOM 2023 O HIS A 125 -5.880 2.854 4.870 1.00 0.00 O ATOM 2024 CB HIS A 125 -4.370 1.339 6.634 1.00 0.00 C ATOM 2025 CG HIS A 125 -3.522 0.617 7.658 1.00 0.00 C ATOM 2026 ND1 HIS A 125 -3.858 -0.541 8.331 1.00 0.00 N ATOM 2027 CD2 HIS A 125 -2.243 0.938 8.029 1.00 0.00 C ATOM 2028 CE1 HIS A 125 -2.812 -0.901 9.096 1.00 0.00 C ATOM 2029 NE2 HIS A 125 -1.796 -0.032 8.940 1.00 0.00 N ATOM 0 H HIS A 125 -6.020 1.108 8.347 1.00 0.00 H new ATOM 0 HA HIS A 125 -4.468 3.351 7.487 1.00 0.00 H new ATOM 0 HB2 HIS A 125 -5.084 0.630 6.214 1.00 0.00 H new ATOM 0 HB3 HIS A 125 -3.725 1.663 5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 125 -1.677 1.789 7.681 1.00 0.00 H new ATOM 0 HE1 HIS A 125 -2.790 -1.765 9.744 1.00 0.00 H new ATOM 0 HE2 HIS A 125 -0.883 -0.071 9.393 1.00 0.00 H new ATOM 2037 N ASN A 126 -6.886 4.167 6.364 1.00 0.00 N ATOM 2038 CA ASN A 126 -7.830 4.794 5.429 1.00 0.00 C ATOM 2039 C ASN A 126 -8.366 6.163 5.900 1.00 0.00 C ATOM 2040 O ASN A 126 -8.267 6.518 7.076 1.00 0.00 O ATOM 2041 CB ASN A 126 -8.976 3.801 5.132 1.00 0.00 C ATOM 2042 CG ASN A 126 -9.475 3.017 6.336 1.00 0.00 C ATOM 2043 OD1 ASN A 126 -10.320 3.579 7.164 1.00 0.00 O flip ATOM 2044 ND2 ASN A 126 -9.105 1.868 6.547 1.00 0.00 N flip ATOM 0 H ASN A 126 -6.980 4.521 7.316 1.00 0.00 H new ATOM 0 HA ASN A 126 -7.284 5.017 4.512 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -9.813 4.353 4.704 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -8.638 3.096 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -8.447 1.419 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -9.455 1.361 7.360 1.00 0.00 H new ATOM 2051 N PHE A 127 -8.941 6.927 4.961 1.00 0.00 N ATOM 2052 CA PHE A 127 -9.407 8.311 5.148 1.00 0.00 C ATOM 2053 C PHE A 127 -10.404 8.744 4.055 1.00 0.00 C ATOM 2054 O PHE A 127 -10.409 8.200 2.946 1.00 0.00 O ATOM 2055 CB PHE A 127 -8.195 9.268 5.164 1.00 0.00 C ATOM 2056 CG PHE A 127 -7.174 9.062 4.054 1.00 0.00 C ATOM 2057 CD1 PHE A 127 -7.471 9.423 2.724 1.00 0.00 C ATOM 2058 CD2 PHE A 127 -5.921 8.492 4.352 1.00 0.00 C ATOM 2059 CE1 PHE A 127 -6.525 9.214 1.703 1.00 0.00 C ATOM 2060 CE2 PHE A 127 -4.974 8.291 3.332 1.00 0.00 C ATOM 2061 CZ PHE A 127 -5.275 8.654 2.009 1.00 0.00 C ATOM 0 H PHE A 127 -9.101 6.586 4.013 1.00 0.00 H new ATOM 0 HA PHE A 127 -9.932 8.357 6.102 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -8.564 10.292 5.107 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -7.687 9.165 6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -8.429 9.862 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -5.687 8.208 5.367 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -6.761 9.484 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -4.013 7.857 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 127 -4.545 8.502 1.228 1.00 0.00 H new ATOM 2071 N ALA A 128 -11.232 9.747 4.359 1.00 0.00 N ATOM 2072 CA ALA A 128 -12.216 10.322 3.442 1.00 0.00 C ATOM 2073 C ALA A 128 -11.627 11.438 2.547 1.00 0.00 C ATOM 2074 O ALA A 128 -10.768 12.215 2.977 1.00 0.00 O ATOM 2075 CB ALA A 128 -13.387 10.853 4.276 1.00 0.00 C ATOM 0 H ALA A 128 -11.235 10.193 5.276 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.550 9.542 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -14.137 11.288 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.833 10.034 4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -13.026 11.615 4.966 1.00 0.00 H new ATOM 2081 N LEU A 129 -12.134 11.551 1.314 1.00 0.00 N ATOM 2082 CA LEU A 129 -11.751 12.565 0.318 1.00 0.00 C ATOM 2083 C LEU A 129 -12.767 13.730 0.254 1.00 0.00 C ATOM 2084 O LEU A 129 -13.886 13.609 0.762 1.00 0.00 O ATOM 2085 CB LEU A 129 -11.632 11.911 -1.074 1.00 0.00 C ATOM 2086 CG LEU A 129 -10.839 10.589 -1.179 1.00 0.00 C ATOM 2087 CD1 LEU A 129 -10.805 10.125 -2.636 1.00 0.00 C ATOM 2088 CD2 LEU A 129 -9.404 10.710 -0.687 1.00 0.00 C ATOM 0 H LEU A 129 -12.851 10.914 0.966 1.00 0.00 H new ATOM 0 HA LEU A 129 -10.789 12.977 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -12.640 11.728 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -11.170 12.634 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 129 -11.353 9.871 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -10.245 9.192 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -11.823 9.965 -2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -10.322 10.886 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -8.902 9.747 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.878 11.457 -1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -9.403 11.012 0.360 1.00 0.00 H new ATOM 2100 N LYS A 130 -12.423 14.829 -0.444 1.00 0.00 N ATOM 2101 CA LYS A 130 -13.308 15.992 -0.695 1.00 0.00 C ATOM 2102 C LYS A 130 -14.701 15.616 -1.212 1.00 0.00 C ATOM 2103 O LYS A 130 -15.706 16.114 -0.706 1.00 0.00 O ATOM 2104 CB LYS A 130 -12.609 16.956 -1.684 1.00 0.00 C ATOM 2105 CG LYS A 130 -13.510 18.032 -2.330 1.00 0.00 C ATOM 2106 CD LYS A 130 -14.069 19.040 -1.316 1.00 0.00 C ATOM 2107 CE LYS A 130 -15.238 19.894 -1.832 1.00 0.00 C ATOM 2108 NZ LYS A 130 -16.514 19.128 -1.899 1.00 0.00 N ATOM 0 H LYS A 130 -11.499 14.939 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.474 16.477 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -11.797 17.458 -1.159 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -12.156 16.364 -2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.939 18.568 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -14.339 17.543 -2.842 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -14.398 18.498 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -13.263 19.704 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -15.369 20.757 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -14.995 20.277 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -16.843 19.086 -2.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -16.358 18.163 -1.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -17.233 19.600 -1.314 1.00 0.00 H new ATOM 2122 N ASN A 131 -14.754 14.791 -2.260 1.00 0.00 N ATOM 2123 CA ASN A 131 -16.002 14.464 -2.962 1.00 0.00 C ATOM 2124 C ASN A 131 -16.917 13.519 -2.163 1.00 0.00 C ATOM 2125 O ASN A 131 -18.120 13.482 -2.420 1.00 0.00 O ATOM 2126 CB ASN A 131 -15.657 13.874 -4.338 1.00 0.00 C ATOM 2127 CG ASN A 131 -15.004 14.892 -5.260 1.00 0.00 C ATOM 2128 OD1 ASN A 131 -13.797 14.908 -5.450 1.00 0.00 O ATOM 2129 ND2 ASN A 131 -15.772 15.795 -5.829 1.00 0.00 N ATOM 0 H ASN A 131 -13.932 14.329 -2.648 1.00 0.00 H new ATOM 0 HA ASN A 131 -16.572 15.385 -3.083 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -14.987 13.024 -4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -16.566 13.495 -4.806 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.360 16.509 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -16.779 15.781 -5.670 1.00 0.00 H new ATOM 2136 N GLY A 132 -16.365 12.785 -1.191 1.00 0.00 N ATOM 2137 CA GLY A 132 -17.115 11.962 -0.234 1.00 0.00 C ATOM 2138 C GLY A 132 -16.658 10.502 -0.141 1.00 0.00 C ATOM 2139 O GLY A 132 -17.206 9.756 0.667 1.00 0.00 O ATOM 0 H GLY A 132 -15.356 12.745 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -17.035 12.416 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -18.169 11.981 -0.509 1.00 0.00 H new ATOM 2143 N PHE A 133 -15.705 10.067 -0.967 1.00 0.00 N ATOM 2144 CA PHE A 133 -15.267 8.662 -1.052 1.00 0.00 C ATOM 2145 C PHE A 133 -14.192 8.321 -0.003 1.00 0.00 C ATOM 2146 O PHE A 133 -13.669 9.222 0.655 1.00 0.00 O ATOM 2147 CB PHE A 133 -14.781 8.370 -2.485 1.00 0.00 C ATOM 2148 CG PHE A 133 -15.581 9.072 -3.573 1.00 0.00 C ATOM 2149 CD1 PHE A 133 -16.985 8.944 -3.625 1.00 0.00 C ATOM 2150 CD2 PHE A 133 -14.930 9.934 -4.475 1.00 0.00 C ATOM 2151 CE1 PHE A 133 -17.731 9.704 -4.544 1.00 0.00 C ATOM 2152 CE2 PHE A 133 -15.674 10.673 -5.411 1.00 0.00 C ATOM 2153 CZ PHE A 133 -17.076 10.577 -5.431 1.00 0.00 C ATOM 0 H PHE A 133 -15.205 10.685 -1.607 1.00 0.00 H new ATOM 0 HA PHE A 133 -16.117 8.018 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -13.736 8.668 -2.569 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -14.821 7.294 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -17.488 8.261 -2.957 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -13.854 10.028 -4.448 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -18.807 9.617 -4.568 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -15.167 11.316 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 133 -17.649 11.172 -6.126 1.00 0.00 H new ATOM 2163 N ILE A 134 -13.827 7.039 0.139 1.00 0.00 N ATOM 2164 CA ILE A 134 -12.782 6.571 1.071 1.00 0.00 C ATOM 2165 C ILE A 134 -11.705 5.788 0.303 1.00 0.00 C ATOM 2166 O ILE A 134 -12.004 4.955 -0.558 1.00 0.00 O ATOM 2167 CB ILE A 134 -13.358 5.720 2.234 1.00 0.00 C ATOM 2168 CG1 ILE A 134 -14.407 6.442 3.116 1.00 0.00 C ATOM 2169 CG2 ILE A 134 -12.226 5.231 3.168 1.00 0.00 C ATOM 2170 CD1 ILE A 134 -15.815 6.521 2.508 1.00 0.00 C ATOM 0 H ILE A 134 -14.254 6.284 -0.397 1.00 0.00 H new ATOM 0 HA ILE A 134 -12.331 7.453 1.525 1.00 0.00 H new ATOM 0 HB ILE A 134 -13.862 4.894 1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 134 -14.469 5.929 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 134 -14.056 7.454 3.318 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -12.652 4.637 3.976 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -11.524 4.621 2.600 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -11.703 6.091 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 134 -16.480 7.043 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 134 -15.773 7.063 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 134 -16.193 5.514 2.332 1.00 0.00 H new ATOM 2182 N ALA A 135 -10.447 6.029 0.666 1.00 0.00 N ATOM 2183 CA ALA A 135 -9.247 5.453 0.063 1.00 0.00 C ATOM 2184 C ALA A 135 -8.366 4.825 1.172 1.00 0.00 C ATOM 2185 O ALA A 135 -8.408 5.293 2.313 1.00 0.00 O ATOM 2186 CB ALA A 135 -8.565 6.606 -0.691 1.00 0.00 C ATOM 0 H ALA A 135 -10.225 6.666 1.431 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.456 4.643 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.655 6.241 -1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.243 6.995 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -8.313 7.401 0.011 1.00 0.00 H new ATOM 2192 N SER A 136 -7.606 3.757 0.876 1.00 0.00 N ATOM 2193 CA SER A 136 -6.874 2.968 1.882 1.00 0.00 C ATOM 2194 C SER A 136 -5.420 2.622 1.497 1.00 0.00 C ATOM 2195 O SER A 136 -5.137 1.985 0.478 1.00 0.00 O ATOM 2196 CB SER A 136 -7.664 1.699 2.220 1.00 0.00 C ATOM 2197 OG SER A 136 -7.016 0.944 3.227 1.00 0.00 O ATOM 0 H SER A 136 -7.481 3.414 -0.076 1.00 0.00 H new ATOM 0 HA SER A 136 -6.787 3.606 2.761 1.00 0.00 H new ATOM 0 HB2 SER A 136 -8.666 1.969 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 136 -7.780 1.090 1.323 1.00 0.00 H new ATOM 0 HG SER A 136 -6.579 1.551 3.861 1.00 0.00 H new ATOM 2203 N ASN A 137 -4.501 3.034 2.378 1.00 0.00 N ATOM 2204 CA ASN A 137 -3.048 2.839 2.310 1.00 0.00 C ATOM 2205 C ASN A 137 -2.614 1.358 2.221 1.00 0.00 C ATOM 2206 O ASN A 137 -2.994 0.547 3.099 1.00 0.00 O ATOM 2207 CB ASN A 137 -2.415 3.574 3.513 1.00 0.00 C ATOM 2208 CG ASN A 137 -0.915 3.360 3.628 1.00 0.00 C ATOM 2209 OD1 ASN A 137 -0.412 2.788 4.590 1.00 0.00 O ATOM 2210 ND2 ASN A 137 -0.155 3.808 2.660 1.00 0.00 N ATOM 0 H ASN A 137 -4.772 3.549 3.216 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.683 3.265 1.375 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.617 4.642 3.424 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -2.895 3.234 4.431 1.00 0.00 H new ATOM 0 HD21 ASN A 137 0.856 3.682 2.705 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -0.574 4.283 1.861 1.00 0.00 H new TER 2217 ASN A 137