USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 113 ASN :FLIP amide:sc= -0.0868 F(o=-1.7,f=-1.1) USER MOD Set 1.2: A 116 THR OG1 : rot 180:sc= -1.02 USER MOD Set 2.1: A 11 TYR OH : rot 37:sc= 0.264 USER MOD Set 2.2: A 106 THR OG1 : rot 84:sc= 1.55 USER MOD Set 3.1: A 42 CYS SG : rot 100:sc= -0.449 USER MOD Set 3.2: A 62 CYS SG : rot 179:sc=-0.00304 USER MOD Single : A 3 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.83) USER MOD Single : A 6 SER OG : rot -82:sc= 0.438 USER MOD Single : A 7 GLN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.234 K(o=-0.23,f=-1.4) USER MOD Single : A 14 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.8!) USER MOD Single : A 16 LYS NZ :NH3+ -107:sc= 1.22 (180deg=-0.252) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 25 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0887) USER MOD Single : A 27 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00679) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.784 (180deg=0.783) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.19) USER MOD Single : A 41 THR OG1 : rot 82:sc= 1.13 USER MOD Single : A 47 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.1) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.545 USER MOD Single : A 54 LYS NZ :NH3+ -136:sc= 1.23 (180deg=0.0813) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0149 K(o=-0.015,f=-0.97) USER MOD Single : A 69 THR OG1 : rot 73:sc= 1.17 USER MOD Single : A 74 LYS NZ :NH3+ -133:sc= 0.0152 (180deg=-0.318) USER MOD Single : A 78 THR OG1 : rot -36:sc= 0.00574 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -101:sc= 0.0851 USER MOD Single : A 84 ASN : amide:sc= 0.437 K(o=0.44,f=-0.36) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= -0.032 (180deg=-0.125) USER MOD Single : A 92 LYS NZ :NH3+ -142:sc= 1.07 (180deg=0.22) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0236) USER MOD Single : A 96 ASN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : A 98 GLN : amide:sc= -1.19 K(o=-1.2,f=-9.1!) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.0536 K(o=-0.054,f=-1.2) USER MOD Single : A 111 LYS NZ :NH3+ -144:sc= 0.693 (180deg=-0.00334) USER MOD Single : A 112 SER OG : rot -43:sc= 0.021 USER MOD Single : A 114 SER OG : rot 94:sc= 1.05 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HE2:sc= 1.1 K(o=1.1,f=-4!) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 122 HIS : no HD1:sc= -0.217 K(o=-0.22,f=-4.5!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 124 HIS :FLIP no HE2:sc= -0.634 F(o=-1.6,f=-0.63) USER MOD Single : A 125 HIS : no HE2:sc= 0.765 K(o=0.77,f=-3.4!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.559 0.406 1.082 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.595 0.778 1.066 1.00 25.00 O HETATM 3 C2 MYR A 1 1.074 -0.668 0.152 1.00 25.00 C HETATM 4 C3 MYR A 1 0.445 -2.056 0.465 1.00 25.00 C HETATM 5 C4 MYR A 1 1.033 -2.669 1.763 1.00 25.00 C HETATM 6 C5 MYR A 1 0.384 -4.037 2.096 1.00 25.00 C HETATM 7 C6 MYR A 1 1.149 -4.768 3.243 1.00 25.00 C HETATM 8 C7 MYR A 1 0.257 -5.122 4.468 1.00 25.00 C HETATM 9 C8 MYR A 1 0.053 -3.915 5.432 1.00 25.00 C HETATM 10 C9 MYR A 1 -0.499 -4.343 6.820 1.00 25.00 C HETATM 11 C10 MYR A 1 -2.032 -4.609 6.831 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.459 -5.164 8.213 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.995 -5.301 8.353 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.355 -5.978 9.706 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.856 -5.889 10.010 1.00 25.00 C HETATM 0 H143 MYR A 1 -6.155 -4.842 10.063 1.00 25.00 H new HETATM 0 H142 MYR A 1 -6.417 -6.387 9.220 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.063 -6.374 10.964 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.052 -7.025 9.680 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.793 -5.503 10.510 1.00 25.00 H new HETATM 0 H122 MYR A 1 -4.461 -4.318 8.295 1.00 25.00 H new HETATM 0 H121 MYR A 1 -4.391 -5.891 7.527 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.996 -6.139 8.368 1.00 25.00 H new HETATM 0 H111 MYR A 1 -2.084 -4.505 8.996 1.00 25.00 H new HETATM 0 H102 MYR A 1 -2.572 -3.687 6.617 1.00 25.00 H new HETATM 0 H101 MYR A 1 -2.293 -5.320 6.047 1.00 25.00 H new HETATM 0 H92 MYR A 1 0.019 -5.245 7.144 1.00 25.00 H new HETATM 0 H91 MYR A 1 -0.269 -3.565 7.548 1.00 25.00 H new HETATM 0 H82 MYR A 1 1.003 -3.398 5.567 1.00 25.00 H new HETATM 0 H81 MYR A 1 -0.635 -3.203 4.976 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.715 -5.469 4.117 1.00 25.00 H new HETATM 0 H71 MYR A 1 0.711 -5.947 5.017 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.587 -5.684 2.848 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.974 -4.138 3.576 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.655 -3.886 2.388 1.00 25.00 H new HETATM 0 H51 MYR A 1 0.377 -4.664 1.205 1.00 25.00 H new HETATM 0 H42 MYR A 1 2.110 -2.795 1.651 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.877 -1.981 2.594 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.635 -1.952 0.568 1.00 25.00 H new HETATM 0 H31 MYR A 1 0.622 -2.733 -0.371 1.00 25.00 H new HETATM 0 H22 MYR A 1 0.852 -0.393 -0.879 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.159 -0.733 0.238 1.00 25.00 H new ATOM 43 N GLY A 2 1.470 0.953 1.910 1.00 25.00 N ATOM 44 CA GLY A 2 1.155 2.017 2.856 1.00 25.00 C ATOM 45 C GLY A 2 0.654 3.244 2.135 1.00 25.00 C ATOM 46 O GLY A 2 -0.324 3.856 2.541 1.00 25.00 O ATOM 0 HA2 GLY A 2 0.400 1.671 3.562 1.00 25.00 H new ATOM 0 HA3 GLY A 2 2.043 2.268 3.437 1.00 25.00 H new ATOM 50 N GLN A 3 1.295 3.581 1.028 1.00 25.00 N ATOM 51 CA GLN A 3 0.885 4.742 0.248 1.00 25.00 C ATOM 52 C GLN A 3 -0.494 4.539 -0.395 1.00 25.00 C ATOM 53 O GLN A 3 -1.190 5.496 -0.680 1.00 25.00 O ATOM 54 CB GLN A 3 1.955 5.063 -0.807 1.00 25.00 C ATOM 55 CG GLN A 3 2.024 4.091 -2.006 1.00 25.00 C ATOM 56 CD GLN A 3 1.249 4.602 -3.210 1.00 25.00 C ATOM 57 OE1 GLN A 3 1.375 5.753 -3.580 1.00 25.00 O ATOM 58 NE2 GLN A 3 0.465 3.753 -3.820 1.00 25.00 N ATOM 0 H GLN A 3 2.095 3.074 0.650 1.00 25.00 H new ATOM 0 HA GLN A 3 0.791 5.593 0.922 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.774 6.068 -1.187 1.00 25.00 H new ATOM 0 HB3 GLN A 3 2.929 5.078 -0.318 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.066 3.937 -2.286 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.628 3.121 -1.707 1.00 25.00 H new ATOM 0 HE21 GLN A 3 0.387 2.795 -3.478 1.00 25.00 H new ATOM 0 HE22 GLN A 3 -0.068 4.048 -4.638 1.00 25.00 H new ATOM 67 N GLU A 4 -0.890 3.291 -0.605 1.00 25.00 N ATOM 68 CA GLU A 4 -2.171 2.973 -1.226 1.00 25.00 C ATOM 69 C GLU A 4 -3.303 2.939 -0.197 1.00 25.00 C ATOM 70 O GLU A 4 -4.398 3.462 -0.426 1.00 25.00 O ATOM 71 CB GLU A 4 -2.041 1.604 -1.896 1.00 25.00 C ATOM 72 CG GLU A 4 -3.300 1.096 -2.536 1.00 25.00 C ATOM 73 CD GLU A 4 -3.764 1.992 -3.658 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.959 2.293 -4.554 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.935 2.421 -3.622 1.00 25.00 O ATOM 0 H GLU A 4 -0.336 2.473 -0.351 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.418 3.745 -1.955 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.261 1.659 -2.655 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.711 0.880 -1.151 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.131 0.090 -2.921 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.085 1.021 -1.783 1.00 25.00 H new ATOM 82 N LEU A 5 -3.045 2.311 0.939 1.00 25.00 N ATOM 83 CA LEU A 5 -4.071 2.145 1.964 1.00 25.00 C ATOM 84 C LEU A 5 -4.510 3.507 2.512 1.00 25.00 C ATOM 85 O LEU A 5 -5.702 3.752 2.655 1.00 25.00 O ATOM 86 CB LEU A 5 -3.557 1.218 3.072 1.00 25.00 C ATOM 87 CG LEU A 5 -3.363 -0.262 2.674 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.655 -1.012 3.802 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.683 -0.957 2.343 1.00 25.00 C ATOM 0 H LEU A 5 -2.139 1.908 1.177 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.951 1.679 1.521 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.604 1.606 3.431 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.254 1.261 3.909 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.753 -0.277 1.771 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.520 -2.055 3.517 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.681 -0.558 3.986 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.258 -0.959 4.709 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.490 -1.994 2.070 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.338 -0.927 3.214 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.164 -0.446 1.509 1.00 25.00 H new ATOM 101 N SER A 6 -3.567 4.420 2.721 1.00 25.00 N ATOM 102 CA SER A 6 -3.887 5.810 3.064 1.00 25.00 C ATOM 103 C SER A 6 -4.740 6.581 2.043 1.00 25.00 C ATOM 104 O SER A 6 -5.347 7.580 2.407 1.00 25.00 O ATOM 105 CB SER A 6 -2.591 6.596 3.258 1.00 25.00 C ATOM 106 OG SER A 6 -1.744 6.480 2.128 1.00 25.00 O ATOM 0 H SER A 6 -2.568 4.225 2.659 1.00 25.00 H new ATOM 0 HA SER A 6 -4.488 5.730 3.970 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.823 7.646 3.435 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.071 6.231 4.144 1.00 25.00 H new ATOM 0 HG SER A 6 -1.237 5.643 2.184 1.00 25.00 H new ATOM 112 N GLN A 7 -4.776 6.159 0.784 1.00 25.00 N ATOM 113 CA GLN A 7 -5.567 6.872 -0.232 1.00 25.00 C ATOM 114 C GLN A 7 -6.968 6.282 -0.322 1.00 25.00 C ATOM 115 O GLN A 7 -7.900 6.913 -0.810 1.00 25.00 O ATOM 116 CB GLN A 7 -4.898 6.780 -1.607 1.00 25.00 C ATOM 117 CG GLN A 7 -3.608 7.574 -1.712 1.00 25.00 C ATOM 118 CD GLN A 7 -2.994 7.478 -3.093 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.432 8.135 -4.019 1.00 25.00 O ATOM 120 NE2 GLN A 7 -1.983 6.664 -3.230 1.00 25.00 N ATOM 0 H GLN A 7 -4.277 5.339 0.438 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.628 7.918 0.067 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -4.690 5.734 -1.831 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.596 7.135 -2.365 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.805 8.619 -1.475 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -2.896 7.208 -0.972 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.645 6.131 -2.429 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.530 6.561 -4.138 1.00 25.00 H new ATOM 129 N HIS A 8 -7.119 5.062 0.163 1.00 25.00 N ATOM 130 CA HIS A 8 -8.413 4.392 0.132 1.00 25.00 C ATOM 131 C HIS A 8 -9.228 4.832 1.343 1.00 25.00 C ATOM 132 O HIS A 8 -9.148 4.221 2.394 1.00 25.00 O ATOM 133 CB HIS A 8 -8.209 2.872 0.126 1.00 25.00 C ATOM 134 CG HIS A 8 -8.342 2.259 -1.235 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.329 2.279 -2.197 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.372 1.603 -1.837 1.00 25.00 C ATOM 137 CE1 HIS A 8 -7.762 1.669 -3.290 1.00 25.00 C ATOM 138 NE2 HIS A 8 -8.984 1.254 -3.095 1.00 25.00 N ATOM 0 H HIS A 8 -6.367 4.515 0.582 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.956 4.663 -0.774 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.220 2.644 0.524 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.936 2.413 0.796 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.406 2.696 -2.077 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.334 1.395 -1.392 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -7.194 1.536 -4.199 1.00 25.00 H new ATOM 146 N GLU A 9 -10.024 5.882 1.200 1.00 25.00 N ATOM 147 CA GLU A 9 -10.812 6.419 2.324 1.00 25.00 C ATOM 148 C GLU A 9 -11.730 5.380 2.982 1.00 25.00 C ATOM 149 O GLU A 9 -11.909 5.387 4.195 1.00 25.00 O ATOM 150 CB GLU A 9 -11.644 7.613 1.867 1.00 25.00 C ATOM 151 CG GLU A 9 -10.799 8.794 1.421 1.00 25.00 C ATOM 152 CD GLU A 9 -11.639 10.037 1.190 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.605 9.963 0.402 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.352 11.078 1.822 1.00 25.00 O ATOM 0 H GLU A 9 -10.148 6.385 0.322 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.087 6.727 3.078 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.289 7.305 1.044 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.295 7.928 2.682 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -10.041 9.003 2.176 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -10.272 8.537 0.502 1.00 25.00 H new ATOM 161 N ARG A 10 -12.229 4.434 2.195 1.00 25.00 N ATOM 162 CA ARG A 10 -13.039 3.314 2.713 1.00 25.00 C ATOM 163 C ARG A 10 -12.274 2.538 3.794 1.00 25.00 C ATOM 164 O ARG A 10 -12.842 2.098 4.794 1.00 25.00 O ATOM 165 CB ARG A 10 -13.385 2.378 1.542 1.00 25.00 C ATOM 166 CG ARG A 10 -14.285 1.185 1.884 1.00 25.00 C ATOM 167 CD ARG A 10 -14.449 0.304 0.641 1.00 25.00 C ATOM 168 NE ARG A 10 -15.145 -0.971 0.907 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.581 -2.178 0.879 1.00 25.00 C ATOM 170 NH1 ARG A 10 -13.311 -2.363 0.640 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.314 -3.234 1.084 1.00 25.00 N ATOM 0 H ARG A 10 -12.090 4.412 1.185 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.950 3.707 3.165 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.873 2.965 0.764 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -12.455 1.998 1.119 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -13.849 0.607 2.699 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.259 1.535 2.227 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.002 0.859 -0.117 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -13.464 0.091 0.225 1.00 25.00 H new ATOM 0 HE ARG A 10 -16.139 -0.924 1.131 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -12.703 -1.563 0.464 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -12.926 -3.308 0.629 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.313 -3.134 1.264 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -14.889 -4.161 1.064 1.00 25.00 H new ATOM 185 N TYR A 11 -10.976 2.403 3.588 1.00 25.00 N ATOM 186 CA TYR A 11 -10.098 1.715 4.521 1.00 25.00 C ATOM 187 C TYR A 11 -9.689 2.657 5.650 1.00 25.00 C ATOM 188 O TYR A 11 -9.693 2.276 6.813 1.00 25.00 O ATOM 189 CB TYR A 11 -8.860 1.236 3.763 1.00 25.00 C ATOM 190 CG TYR A 11 -7.940 0.346 4.558 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.265 -1.001 4.784 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.725 0.840 5.071 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.391 -1.853 5.500 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.840 -0.011 5.789 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.184 -1.352 5.991 1.00 25.00 C ATOM 196 OH TYR A 11 -5.337 -2.173 6.692 1.00 25.00 O ATOM 0 H TYR A 11 -10.498 2.769 2.765 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.618 0.862 4.957 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.182 0.698 2.871 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.298 2.107 3.425 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.197 -1.393 4.405 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.462 1.876 4.918 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.657 -2.887 5.666 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.909 0.375 6.176 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.360 -3.073 6.305 1.00 25.00 H new ATOM 206 N VAL A 12 -9.356 3.894 5.302 1.00 25.00 N ATOM 207 CA VAL A 12 -8.913 4.891 6.285 1.00 25.00 C ATOM 208 C VAL A 12 -9.968 5.151 7.356 1.00 25.00 C ATOM 209 O VAL A 12 -9.634 5.203 8.530 1.00 25.00 O ATOM 210 CB VAL A 12 -8.537 6.241 5.597 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.168 7.321 6.634 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.354 6.043 4.654 1.00 25.00 C ATOM 0 H VAL A 12 -9.383 4.238 4.342 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.028 4.472 6.765 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.411 6.573 5.038 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -7.912 8.247 6.119 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.017 7.496 7.295 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.314 6.984 7.222 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.103 6.992 4.181 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.495 5.680 5.219 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.618 5.315 3.887 1.00 25.00 H new ATOM 222 N GLU A 13 -11.232 5.291 6.980 1.00 25.00 N ATOM 223 CA GLU A 13 -12.287 5.554 7.965 1.00 25.00 C ATOM 224 C GLU A 13 -12.392 4.418 8.971 1.00 25.00 C ATOM 225 O GLU A 13 -12.567 4.640 10.170 1.00 25.00 O ATOM 226 CB GLU A 13 -13.651 5.729 7.284 1.00 25.00 C ATOM 227 CG GLU A 13 -13.839 7.070 6.575 1.00 25.00 C ATOM 228 CD GLU A 13 -13.801 8.264 7.529 1.00 25.00 C ATOM 229 OE1 GLU A 13 -13.956 8.091 8.758 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.514 9.379 7.055 1.00 25.00 O ATOM 0 H GLU A 13 -11.555 5.229 6.014 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.016 6.476 8.480 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.786 4.927 6.558 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.434 5.616 8.034 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.059 7.189 5.823 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.793 7.065 6.047 1.00 25.00 H new ATOM 237 N GLN A 14 -12.242 3.194 8.498 1.00 25.00 N ATOM 238 CA GLN A 14 -12.311 2.044 9.371 1.00 25.00 C ATOM 239 C GLN A 14 -11.042 2.027 10.249 1.00 25.00 C ATOM 240 O GLN A 14 -11.104 1.771 11.452 1.00 25.00 O ATOM 241 CB GLN A 14 -12.511 0.792 8.494 1.00 25.00 C ATOM 242 CG GLN A 14 -11.431 -0.265 8.557 1.00 25.00 C ATOM 243 CD GLN A 14 -11.361 -0.940 9.906 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.302 -1.059 10.503 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.488 -1.372 10.393 1.00 25.00 N ATOM 0 H GLN A 14 -12.072 2.974 7.516 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.155 2.075 10.060 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.457 0.328 8.775 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -12.610 1.115 7.458 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -11.616 -1.015 7.788 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.467 0.191 8.332 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.351 -1.253 9.863 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.508 -1.829 11.305 1.00 25.00 H new ATOM 254 N LEU A 15 -9.909 2.392 9.666 1.00 25.00 N ATOM 255 CA LEU A 15 -8.639 2.451 10.387 1.00 25.00 C ATOM 256 C LEU A 15 -8.624 3.542 11.452 1.00 25.00 C ATOM 257 O LEU A 15 -7.871 3.445 12.417 1.00 25.00 O ATOM 258 CB LEU A 15 -7.476 2.649 9.404 1.00 25.00 C ATOM 259 CG LEU A 15 -6.637 1.418 9.007 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.534 1.190 10.028 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.458 0.136 8.843 1.00 25.00 C ATOM 0 H LEU A 15 -9.841 2.655 8.683 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.518 1.498 10.902 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.883 3.083 8.491 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.800 3.388 9.834 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.214 1.643 8.028 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.946 0.319 9.740 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.888 2.067 10.067 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.976 1.021 11.010 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.798 -0.685 8.563 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.954 -0.101 9.784 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.207 0.281 8.065 1.00 25.00 H new ATOM 273 N LYS A 16 -9.461 4.566 11.313 1.00 25.00 N ATOM 274 CA LYS A 16 -9.562 5.605 12.349 1.00 25.00 C ATOM 275 C LYS A 16 -10.039 4.971 13.641 1.00 25.00 C ATOM 276 O LYS A 16 -9.666 5.415 14.722 1.00 25.00 O ATOM 277 CB LYS A 16 -10.529 6.728 11.948 1.00 25.00 C ATOM 278 CG LYS A 16 -10.020 7.648 10.841 1.00 25.00 C ATOM 279 CD LYS A 16 -11.082 8.663 10.455 1.00 25.00 C ATOM 280 CE LYS A 16 -10.659 9.471 9.229 1.00 25.00 C ATOM 281 NZ LYS A 16 -11.727 10.448 8.818 1.00 25.00 N ATOM 0 H LYS A 16 -10.073 4.704 10.509 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.574 6.048 12.477 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.469 6.281 11.625 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.749 7.331 12.829 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.121 8.165 11.176 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.742 7.056 9.969 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.021 8.149 10.248 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.265 9.337 11.292 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -9.736 10.009 9.447 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.445 8.794 8.402 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.188 10.113 7.948 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.435 10.528 9.576 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -11.298 11.380 8.646 1.00 25.00 H new ATOM 295 N GLN A 17 -10.829 3.914 13.538 1.00 25.00 N ATOM 296 CA GLN A 17 -11.262 3.188 14.724 1.00 25.00 C ATOM 297 C GLN A 17 -10.109 2.324 15.221 1.00 25.00 C ATOM 298 O GLN A 17 -9.780 2.337 16.401 1.00 25.00 O ATOM 299 CB GLN A 17 -12.465 2.290 14.415 1.00 25.00 C ATOM 300 CG GLN A 17 -13.659 3.025 13.808 1.00 25.00 C ATOM 301 CD GLN A 17 -14.811 2.087 13.511 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.896 1.003 14.063 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.689 2.496 12.634 1.00 25.00 N ATOM 0 H GLN A 17 -11.181 3.542 12.656 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.559 3.910 15.485 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.150 1.504 13.729 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.784 1.801 15.335 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.993 3.803 14.494 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.350 3.522 12.889 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.583 3.410 12.194 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.481 1.901 12.389 1.00 25.00 H new ATOM 312 N ALA A 18 -9.485 1.580 14.318 1.00 25.00 N ATOM 313 CA ALA A 18 -8.413 0.658 14.690 1.00 25.00 C ATOM 314 C ALA A 18 -7.225 1.351 15.385 1.00 25.00 C ATOM 315 O ALA A 18 -6.725 0.862 16.396 1.00 25.00 O ATOM 316 CB ALA A 18 -7.935 -0.103 13.450 1.00 25.00 C ATOM 0 H ALA A 18 -9.701 1.595 13.321 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.829 -0.036 15.420 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.136 -0.790 13.730 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.766 -0.667 13.026 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.562 0.605 12.710 1.00 25.00 H new ATOM 322 N LEU A 19 -6.792 2.498 14.870 1.00 25.00 N ATOM 323 CA LEU A 19 -5.670 3.226 15.476 1.00 25.00 C ATOM 324 C LEU A 19 -6.003 3.635 16.914 1.00 25.00 C ATOM 325 O LEU A 19 -5.158 3.561 17.800 1.00 25.00 O ATOM 326 CB LEU A 19 -5.308 4.483 14.656 1.00 25.00 C ATOM 327 CG LEU A 19 -4.057 4.344 13.766 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.368 3.748 12.395 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.357 5.686 13.557 1.00 25.00 C ATOM 0 H LEU A 19 -7.192 2.943 14.044 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.812 2.554 15.482 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.157 4.743 14.024 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.155 5.315 15.343 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.400 3.662 14.305 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.449 3.674 11.813 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.799 2.755 12.519 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.078 4.389 11.872 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.481 5.545 12.925 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.043 6.383 13.076 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.047 6.089 14.521 1.00 25.00 H new ATOM 341 N LYS A 20 -7.240 4.055 17.148 1.00 25.00 N ATOM 342 CA LYS A 20 -7.656 4.500 18.485 1.00 25.00 C ATOM 343 C LYS A 20 -7.899 3.352 19.450 1.00 25.00 C ATOM 344 O LYS A 20 -7.608 3.473 20.629 1.00 25.00 O ATOM 345 CB LYS A 20 -8.955 5.304 18.396 1.00 25.00 C ATOM 346 CG LYS A 20 -8.837 6.629 17.665 1.00 25.00 C ATOM 347 CD LYS A 20 -10.218 7.260 17.535 1.00 25.00 C ATOM 348 CE LYS A 20 -10.179 8.533 16.705 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.554 9.137 16.598 1.00 25.00 N ATOM 0 H LYS A 20 -7.973 4.099 16.440 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.832 5.105 18.863 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.708 4.695 17.896 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.318 5.494 19.406 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.169 7.298 18.208 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.401 6.475 16.678 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.902 6.547 17.075 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.610 7.484 18.527 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.495 9.250 17.160 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.794 8.313 15.709 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.508 10.006 16.028 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.197 8.458 16.143 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.908 9.365 17.549 1.00 25.00 H new ATOM 363 N THR A 21 -8.469 2.261 18.965 1.00 25.00 N ATOM 364 CA THR A 21 -8.857 1.144 19.835 1.00 25.00 C ATOM 365 C THR A 21 -7.663 0.423 20.447 1.00 25.00 C ATOM 366 O THR A 21 -7.794 -0.220 21.479 1.00 25.00 O ATOM 367 CB THR A 21 -9.721 0.107 19.081 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.098 -0.226 17.842 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.109 0.661 18.770 1.00 25.00 C ATOM 0 H THR A 21 -8.676 2.118 17.977 1.00 25.00 H new ATOM 0 HA THR A 21 -9.437 1.598 20.639 1.00 25.00 H new ATOM 0 HB THR A 21 -9.816 -0.770 19.722 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.647 -0.884 17.367 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.691 -0.093 18.240 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.614 0.921 19.700 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.015 1.551 18.148 1.00 25.00 H new ATOM 377 N ARG A 22 -6.482 0.576 19.859 1.00 25.00 N ATOM 378 CA ARG A 22 -5.278 -0.001 20.460 1.00 25.00 C ATOM 379 C ARG A 22 -4.860 0.802 21.699 1.00 25.00 C ATOM 380 O ARG A 22 -4.089 0.329 22.519 1.00 25.00 O ATOM 381 CB ARG A 22 -4.132 -0.054 19.436 1.00 25.00 C ATOM 382 CG ARG A 22 -3.046 -1.096 19.770 1.00 25.00 C ATOM 383 CD ARG A 22 -3.488 -2.509 19.403 1.00 25.00 C ATOM 384 NE ARG A 22 -3.008 -3.516 20.367 1.00 25.00 N ATOM 385 CZ ARG A 22 -3.679 -3.961 21.425 1.00 25.00 C ATOM 386 NH1 ARG A 22 -4.878 -3.530 21.739 1.00 25.00 N ATOM 387 NH2 ARG A 22 -3.135 -4.867 22.184 1.00 25.00 N ATOM 0 H ARG A 22 -6.330 1.082 18.987 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.504 -1.021 20.771 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.546 -0.277 18.453 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.670 0.931 19.371 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.129 -0.851 19.234 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.814 -1.052 20.834 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.576 -2.545 19.355 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.117 -2.756 18.408 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.079 -3.906 20.208 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -5.334 -2.824 21.161 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -5.354 -3.901 22.561 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.206 -5.226 21.964 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -3.637 -5.218 22.999 1.00 25.00 H new ATOM 401 N GLY A 23 -5.356 2.030 21.811 1.00 25.00 N ATOM 402 CA GLY A 23 -5.022 2.892 22.938 1.00 25.00 C ATOM 403 C GLY A 23 -3.671 3.562 22.773 1.00 25.00 C ATOM 404 O GLY A 23 -3.216 4.327 23.626 1.00 25.00 O ATOM 0 H GLY A 23 -5.992 2.451 21.133 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.792 3.655 23.049 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.023 2.303 23.855 1.00 25.00 H new ATOM 408 N VAL A 24 -3.013 3.263 21.666 1.00 25.00 N ATOM 409 CA VAL A 24 -1.675 3.770 21.404 1.00 25.00 C ATOM 410 C VAL A 24 -1.802 5.091 20.663 1.00 25.00 C ATOM 411 O VAL A 24 -2.551 5.204 19.697 1.00 25.00 O ATOM 412 CB VAL A 24 -0.849 2.749 20.563 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.578 3.262 20.316 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.778 1.396 21.292 1.00 25.00 C ATOM 0 H VAL A 24 -3.387 2.667 20.928 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.148 3.919 22.346 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.350 2.626 19.603 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.131 2.530 19.727 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.536 4.207 19.774 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.081 3.414 21.271 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.199 0.691 20.695 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.299 1.530 22.262 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.786 1.007 21.436 1.00 25.00 H new ATOM 424 N LYS A 25 -1.066 6.097 21.110 1.00 25.00 N ATOM 425 CA LYS A 25 -1.074 7.395 20.440 1.00 25.00 C ATOM 426 C LYS A 25 -0.114 7.340 19.254 1.00 25.00 C ATOM 427 O LYS A 25 1.036 7.748 19.360 1.00 25.00 O ATOM 428 CB LYS A 25 -0.660 8.498 21.422 1.00 25.00 C ATOM 429 CG LYS A 25 -1.677 8.708 22.556 1.00 25.00 C ATOM 430 CD LYS A 25 -1.283 9.863 23.491 1.00 25.00 C ATOM 431 CE LYS A 25 -0.128 9.498 24.441 1.00 25.00 C ATOM 432 NZ LYS A 25 -0.535 8.452 25.455 1.00 25.00 N ATOM 0 H LYS A 25 -0.459 6.044 21.928 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.078 7.623 20.082 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.309 8.248 21.853 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.534 9.433 20.877 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.658 8.910 22.127 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.766 7.789 23.136 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -0.995 10.727 22.892 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.151 10.159 24.080 1.00 25.00 H new ATOM 0 HE2 LYS A 25 0.717 9.129 23.859 1.00 25.00 H new ATOM 0 HE3 LYS A 25 0.210 10.394 24.961 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 0.202 8.371 26.185 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -1.433 8.730 25.899 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -0.654 7.535 24.979 1.00 25.00 H new ATOM 446 N VAL A 26 -0.604 6.845 18.128 1.00 25.00 N ATOM 447 CA VAL A 26 0.192 6.738 16.901 1.00 25.00 C ATOM 448 C VAL A 26 -0.311 7.723 15.864 1.00 25.00 C ATOM 449 O VAL A 26 -1.504 8.014 15.778 1.00 25.00 O ATOM 450 CB VAL A 26 0.136 5.310 16.271 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.360 4.500 16.684 1.00 25.00 C ATOM 452 CG2 VAL A 26 -1.150 4.575 16.670 1.00 25.00 C ATOM 0 H VAL A 26 -1.561 6.505 18.032 1.00 25.00 H new ATOM 0 HA VAL A 26 1.222 6.955 17.185 1.00 25.00 H new ATOM 0 HB VAL A 26 0.136 5.421 15.187 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.307 3.507 16.237 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.263 5.005 16.341 1.00 25.00 H new ATOM 0 HG13 VAL A 26 1.386 4.408 17.770 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -1.159 3.584 16.216 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -1.191 4.477 17.755 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -2.015 5.141 16.324 1.00 25.00 H new ATOM 462 N LYS A 27 0.608 8.235 15.060 1.00 25.00 N ATOM 463 CA LYS A 27 0.256 9.158 13.987 1.00 25.00 C ATOM 464 C LYS A 27 -0.126 8.311 12.784 1.00 25.00 C ATOM 465 O LYS A 27 0.598 7.398 12.429 1.00 25.00 O ATOM 466 CB LYS A 27 1.454 10.062 13.663 1.00 25.00 C ATOM 467 CG LYS A 27 1.129 11.232 12.738 1.00 25.00 C ATOM 468 CD LYS A 27 2.395 12.039 12.435 1.00 25.00 C ATOM 469 CE LYS A 27 2.097 13.305 11.619 1.00 25.00 C ATOM 470 NZ LYS A 27 1.382 14.358 12.433 1.00 25.00 N ATOM 0 H LYS A 27 1.604 8.028 15.129 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.573 9.805 14.274 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.861 10.454 14.595 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.236 9.458 13.203 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.696 10.861 11.809 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.382 11.875 13.203 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.878 12.318 13.371 1.00 25.00 H new ATOM 0 HD3 LYS A 27 3.100 11.413 11.887 1.00 25.00 H new ATOM 0 HE2 LYS A 27 3.031 13.717 11.237 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.488 13.042 10.754 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 1.248 15.212 11.855 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.455 13.994 12.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.950 14.593 13.272 1.00 25.00 H new ATOM 484 N PHE A 28 -1.242 8.627 12.149 1.00 25.00 N ATOM 485 CA PHE A 28 -1.713 7.871 10.982 1.00 25.00 C ATOM 486 C PHE A 28 -0.663 7.764 9.893 1.00 25.00 C ATOM 487 O PHE A 28 -0.386 6.681 9.402 1.00 25.00 O ATOM 488 CB PHE A 28 -2.941 8.579 10.395 1.00 25.00 C ATOM 489 CG PHE A 28 -4.155 7.713 10.300 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.259 6.727 9.302 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.222 7.895 11.194 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.420 5.924 9.200 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.381 7.108 11.100 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.485 6.124 10.098 1.00 25.00 C ATOM 0 H PHE A 28 -1.847 9.404 12.417 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.950 6.863 11.322 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.175 9.448 11.010 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.693 8.949 9.400 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.445 6.581 8.607 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.150 8.650 11.963 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.488 5.162 8.437 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.193 7.257 11.796 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.380 5.524 10.019 1.00 25.00 H new ATOM 504 N ALA A 29 -0.067 8.895 9.540 1.00 25.00 N ATOM 505 CA ALA A 29 0.943 8.926 8.493 1.00 25.00 C ATOM 506 C ALA A 29 2.116 8.007 8.837 1.00 25.00 C ATOM 507 O ALA A 29 2.665 7.355 7.968 1.00 25.00 O ATOM 508 CB ALA A 29 1.435 10.366 8.287 1.00 25.00 C ATOM 0 H ALA A 29 -0.266 9.802 9.963 1.00 25.00 H new ATOM 0 HA ALA A 29 0.494 8.566 7.568 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.191 10.383 7.502 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.596 10.999 7.997 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.867 10.739 9.215 1.00 25.00 H new ATOM 514 N ASP A 30 2.484 7.953 10.110 1.00 25.00 N ATOM 515 CA ASP A 30 3.600 7.113 10.532 1.00 25.00 C ATOM 516 C ASP A 30 3.204 5.642 10.551 1.00 25.00 C ATOM 517 O ASP A 30 3.987 4.798 10.172 1.00 25.00 O ATOM 518 CB ASP A 30 4.100 7.521 11.917 1.00 25.00 C ATOM 519 CG ASP A 30 5.436 6.876 12.264 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.318 6.811 11.376 1.00 25.00 O ATOM 521 OD2 ASP A 30 5.623 6.480 13.427 1.00 25.00 O ATOM 0 H ASP A 30 2.033 8.474 10.862 1.00 25.00 H new ATOM 0 HA ASP A 30 4.402 7.254 9.808 1.00 25.00 H new ATOM 0 HB2 ASP A 30 4.201 8.605 11.959 1.00 25.00 H new ATOM 0 HB3 ASP A 30 3.359 7.241 12.665 1.00 25.00 H new ATOM 526 N LEU A 31 1.986 5.321 10.965 1.00 25.00 N ATOM 527 CA LEU A 31 1.583 3.917 10.999 1.00 25.00 C ATOM 528 C LEU A 31 1.559 3.356 9.583 1.00 25.00 C ATOM 529 O LEU A 31 2.160 2.323 9.287 1.00 25.00 O ATOM 530 CB LEU A 31 0.226 3.715 11.670 1.00 25.00 C ATOM 531 CG LEU A 31 0.259 2.504 12.632 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.047 2.372 13.355 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.568 1.176 11.933 1.00 25.00 C ATOM 0 H LEU A 31 1.278 5.987 11.273 1.00 25.00 H new ATOM 0 HA LEU A 31 2.317 3.379 11.599 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.049 4.614 12.221 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.540 3.560 10.910 1.00 25.00 H new ATOM 0 HG LEU A 31 1.070 2.706 13.331 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.006 1.515 14.027 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.237 3.277 13.932 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.850 2.228 12.632 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.575 0.371 12.668 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.195 0.974 11.181 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.544 1.237 11.452 1.00 25.00 H new ATOM 545 N LEU A 32 0.905 4.084 8.694 1.00 25.00 N ATOM 546 CA LEU A 32 0.860 3.700 7.278 1.00 25.00 C ATOM 547 C LEU A 32 2.246 3.586 6.656 1.00 25.00 C ATOM 548 O LEU A 32 2.480 2.724 5.823 1.00 25.00 O ATOM 549 CB LEU A 32 0.049 4.713 6.471 1.00 25.00 C ATOM 550 CG LEU A 32 -1.455 4.435 6.333 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.741 3.200 5.514 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.137 4.285 7.620 1.00 25.00 C ATOM 0 H LEU A 32 0.398 4.941 8.917 1.00 25.00 H new ATOM 0 HA LEU A 32 0.387 2.719 7.245 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.174 5.693 6.931 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.478 4.773 5.471 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.842 5.318 5.824 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.818 3.049 5.447 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.329 3.324 4.512 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.282 2.333 5.990 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.196 4.091 7.450 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.699 3.452 8.169 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.025 5.201 8.200 1.00 25.00 H new ATOM 564 N LYS A 33 3.188 4.416 7.076 1.00 25.00 N ATOM 565 CA LYS A 33 4.547 4.324 6.544 1.00 25.00 C ATOM 566 C LYS A 33 5.218 2.980 6.860 1.00 25.00 C ATOM 567 O LYS A 33 6.058 2.524 6.094 1.00 25.00 O ATOM 568 CB LYS A 33 5.386 5.523 7.017 1.00 25.00 C ATOM 569 CG LYS A 33 6.301 5.302 8.227 1.00 25.00 C ATOM 570 CD LYS A 33 7.742 4.996 7.858 1.00 25.00 C ATOM 571 CE LYS A 33 8.473 4.433 9.075 1.00 25.00 C ATOM 572 NZ LYS A 33 8.441 5.380 10.248 1.00 25.00 N ATOM 0 H LYS A 33 3.046 5.149 7.770 1.00 25.00 H new ATOM 0 HA LYS A 33 4.481 4.365 5.457 1.00 25.00 H new ATOM 0 HB2 LYS A 33 6.004 5.854 6.182 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.705 6.340 7.253 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.278 6.192 8.856 1.00 25.00 H new ATOM 0 HG3 LYS A 33 5.906 4.480 8.824 1.00 25.00 H new ATOM 0 HD2 LYS A 33 7.774 4.279 7.038 1.00 25.00 H new ATOM 0 HD3 LYS A 33 8.239 5.901 7.509 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.018 3.485 9.363 1.00 25.00 H new ATOM 0 HE3 LYS A 33 9.509 4.222 8.809 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.920 4.942 11.061 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 8.928 6.263 9.994 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.454 5.589 10.499 1.00 25.00 H new ATOM 586 N PHE A 34 4.821 2.309 7.935 1.00 25.00 N ATOM 587 CA PHE A 34 5.372 0.982 8.221 1.00 25.00 C ATOM 588 C PHE A 34 4.738 -0.051 7.300 1.00 25.00 C ATOM 589 O PHE A 34 5.376 -1.031 6.951 1.00 25.00 O ATOM 590 CB PHE A 34 5.191 0.597 9.693 1.00 25.00 C ATOM 591 CG PHE A 34 6.108 1.352 10.610 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.452 0.956 10.753 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.649 2.473 11.316 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.331 1.677 11.592 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.518 3.212 12.147 1.00 25.00 C ATOM 596 CZ PHE A 34 7.862 2.815 12.287 1.00 25.00 C ATOM 0 H PHE A 34 4.136 2.648 8.611 1.00 25.00 H new ATOM 0 HA PHE A 34 6.445 1.010 8.032 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.158 0.782 9.987 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.369 -0.472 9.808 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.815 0.092 10.216 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.616 2.775 11.223 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.357 1.360 11.702 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.153 4.081 12.675 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.531 3.377 12.922 1.00 25.00 H new ATOM 606 N PHE A 35 3.524 0.201 6.832 1.00 25.00 N ATOM 607 CA PHE A 35 2.893 -0.688 5.851 1.00 25.00 C ATOM 608 C PHE A 35 3.581 -0.493 4.495 1.00 25.00 C ATOM 609 O PHE A 35 3.673 -1.412 3.693 1.00 25.00 O ATOM 610 CB PHE A 35 1.389 -0.405 5.710 1.00 25.00 C ATOM 611 CG PHE A 35 0.578 -0.608 6.984 1.00 25.00 C ATOM 612 CD1 PHE A 35 1.122 -1.217 8.144 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.764 -0.186 7.016 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.335 -1.381 9.306 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.557 -0.349 8.178 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.006 -0.951 9.320 1.00 25.00 C ATOM 0 H PHE A 35 2.957 1.003 7.108 1.00 25.00 H new ATOM 0 HA PHE A 35 3.005 -1.716 6.195 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.257 0.623 5.372 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.984 -1.051 4.931 1.00 25.00 H new ATOM 0 HD1 PHE A 35 2.147 -1.558 8.139 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.197 0.271 6.138 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.763 -1.838 10.186 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.583 -0.011 8.185 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.608 -1.084 10.206 1.00 25.00 H new ATOM 626 N ASP A 36 4.105 0.701 4.260 1.00 25.00 N ATOM 627 CA ASP A 36 4.846 0.982 3.025 1.00 25.00 C ATOM 628 C ASP A 36 6.197 0.274 3.091 1.00 25.00 C ATOM 629 O ASP A 36 6.687 -0.265 2.103 1.00 25.00 O ATOM 630 CB ASP A 36 5.047 2.494 2.853 1.00 25.00 C ATOM 631 CG ASP A 36 4.888 2.949 1.406 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.962 2.445 0.726 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.622 3.872 0.978 1.00 25.00 O ATOM 0 H ASP A 36 4.035 1.492 4.901 1.00 25.00 H new ATOM 0 HA ASP A 36 4.280 0.616 2.168 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.329 3.025 3.477 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.041 2.767 3.208 1.00 25.00 H new ATOM 638 N PHE A 37 6.760 0.224 4.292 1.00 25.00 N ATOM 639 CA PHE A 37 8.022 -0.471 4.532 1.00 25.00 C ATOM 640 C PHE A 37 7.862 -1.978 4.322 1.00 25.00 C ATOM 641 O PHE A 37 8.791 -2.638 3.856 1.00 25.00 O ATOM 642 CB PHE A 37 8.523 -0.170 5.951 1.00 25.00 C ATOM 643 CG PHE A 37 9.907 -0.695 6.234 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.026 -0.153 5.573 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.102 -1.725 7.173 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.334 -0.637 5.844 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.405 -2.217 7.453 1.00 25.00 C ATOM 648 CZ PHE A 37 12.519 -1.670 6.785 1.00 25.00 C ATOM 0 H PHE A 37 6.360 0.660 5.123 1.00 25.00 H new ATOM 0 HA PHE A 37 8.760 -0.111 3.816 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.515 0.909 6.107 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.827 -0.601 6.671 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.888 0.639 4.852 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.251 -2.147 7.687 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.185 -0.214 5.330 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.542 -3.008 8.176 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.512 -2.041 6.994 1.00 25.00 H new ATOM 658 N VAL A 38 6.670 -2.513 4.580 1.00 25.00 N ATOM 659 CA VAL A 38 6.405 -3.924 4.280 1.00 25.00 C ATOM 660 C VAL A 38 6.577 -4.128 2.811 1.00 25.00 C ATOM 661 O VAL A 38 7.239 -5.055 2.394 1.00 25.00 O ATOM 662 CB VAL A 38 4.940 -4.386 4.578 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.714 -5.861 4.145 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.628 -4.236 6.005 1.00 25.00 C ATOM 0 H VAL A 38 5.885 -2.005 4.988 1.00 25.00 H new ATOM 0 HA VAL A 38 7.090 -4.491 4.910 1.00 25.00 H new ATOM 0 HB VAL A 38 4.272 -3.749 3.998 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.687 -6.152 4.365 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.897 -5.958 3.075 1.00 25.00 H new ATOM 0 HG13 VAL A 38 5.399 -6.509 4.691 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.605 -4.563 6.190 1.00 25.00 H new ATOM 0 HG22 VAL A 38 5.315 -4.844 6.594 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.732 -3.190 6.292 1.00 25.00 H new ATOM 674 N LYS A 39 5.933 -3.293 2.012 1.00 25.00 N ATOM 675 CA LYS A 39 5.888 -3.560 0.591 1.00 25.00 C ATOM 676 C LYS A 39 7.274 -3.464 -0.038 1.00 25.00 C ATOM 677 O LYS A 39 7.634 -4.268 -0.890 1.00 25.00 O ATOM 678 CB LYS A 39 4.921 -2.606 -0.120 1.00 25.00 C ATOM 679 CG LYS A 39 4.709 -2.951 -1.602 1.00 25.00 C ATOM 680 CD LYS A 39 3.607 -2.100 -2.219 1.00 25.00 C ATOM 681 CE LYS A 39 3.268 -2.542 -3.642 1.00 25.00 C ATOM 682 NZ LYS A 39 4.271 -2.103 -4.677 1.00 25.00 N ATOM 0 H LYS A 39 5.448 -2.448 2.315 1.00 25.00 H new ATOM 0 HA LYS A 39 5.525 -4.580 0.466 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.959 -2.626 0.392 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.302 -1.588 -0.042 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.639 -2.797 -2.149 1.00 25.00 H new ATOM 0 HG3 LYS A 39 4.453 -4.006 -1.698 1.00 25.00 H new ATOM 0 HD2 LYS A 39 2.713 -2.160 -1.599 1.00 25.00 H new ATOM 0 HD3 LYS A 39 3.919 -1.056 -2.229 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.190 -3.629 -3.665 1.00 25.00 H new ATOM 0 HE3 LYS A 39 2.288 -2.147 -3.910 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 4.018 -2.511 -5.600 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 4.269 -1.065 -4.744 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 5.219 -2.430 -4.402 1.00 25.00 H new ATOM 696 N ASP A 40 8.046 -2.474 0.389 1.00 25.00 N ATOM 697 CA ASP A 40 9.378 -2.242 -0.178 1.00 25.00 C ATOM 698 C ASP A 40 10.378 -3.346 0.198 1.00 25.00 C ATOM 699 O ASP A 40 11.348 -3.574 -0.522 1.00 25.00 O ATOM 700 CB ASP A 40 9.912 -0.876 0.281 1.00 25.00 C ATOM 701 CG ASP A 40 10.554 -0.081 -0.859 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.949 0.016 -1.946 1.00 25.00 O ATOM 703 OD2 ASP A 40 11.651 0.490 -0.671 1.00 25.00 O ATOM 0 H ASP A 40 7.779 -1.818 1.123 1.00 25.00 H new ATOM 0 HA ASP A 40 9.273 -2.256 -1.263 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.094 -0.295 0.708 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.646 -1.025 1.073 1.00 25.00 H new ATOM 708 N THR A 41 10.133 -4.028 1.314 1.00 25.00 N ATOM 709 CA THR A 41 11.011 -5.119 1.776 1.00 25.00 C ATOM 710 C THR A 41 10.487 -6.505 1.365 1.00 25.00 C ATOM 711 O THR A 41 11.254 -7.426 1.105 1.00 25.00 O ATOM 712 CB THR A 41 11.149 -5.093 3.329 1.00 25.00 C ATOM 713 OG1 THR A 41 11.350 -3.745 3.766 1.00 25.00 O ATOM 714 CG2 THR A 41 12.336 -5.914 3.797 1.00 25.00 C ATOM 0 H THR A 41 9.334 -3.850 1.922 1.00 25.00 H new ATOM 0 HA THR A 41 11.978 -4.954 1.302 1.00 25.00 H new ATOM 0 HB THR A 41 10.235 -5.514 3.748 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.486 -3.287 3.821 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.401 -5.873 4.884 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.210 -6.949 3.480 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.251 -5.511 3.363 1.00 25.00 H new ATOM 722 N CYS A 42 9.171 -6.643 1.336 1.00 25.00 N ATOM 723 CA CYS A 42 8.497 -7.910 1.050 1.00 25.00 C ATOM 724 C CYS A 42 7.584 -7.756 -0.170 1.00 25.00 C ATOM 725 O CYS A 42 6.364 -7.632 -0.025 1.00 25.00 O ATOM 726 CB CYS A 42 7.647 -8.315 2.265 1.00 25.00 C ATOM 727 SG CYS A 42 8.461 -8.023 3.838 1.00 25.00 S ATOM 0 H CYS A 42 8.528 -5.871 1.512 1.00 25.00 H new ATOM 0 HA CYS A 42 9.246 -8.675 0.844 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.708 -7.761 2.242 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.395 -9.373 2.186 1.00 25.00 H new ATOM 0 HG CYS A 42 8.016 -6.918 4.358 1.00 25.00 H new ATOM 733 N PRO A 43 8.150 -7.772 -1.387 1.00 25.00 N ATOM 734 CA PRO A 43 7.288 -7.536 -2.554 1.00 25.00 C ATOM 735 C PRO A 43 6.337 -8.692 -2.841 1.00 25.00 C ATOM 736 O PRO A 43 5.334 -8.532 -3.522 1.00 25.00 O ATOM 737 CB PRO A 43 8.296 -7.348 -3.688 1.00 25.00 C ATOM 738 CG PRO A 43 9.462 -8.182 -3.277 1.00 25.00 C ATOM 739 CD PRO A 43 9.556 -7.978 -1.786 1.00 25.00 C ATOM 0 HA PRO A 43 6.623 -6.685 -2.408 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.887 -7.677 -4.644 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.575 -6.301 -3.804 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.308 -9.232 -3.526 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.375 -7.865 -3.781 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.994 -8.843 -1.288 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.176 -7.118 -1.535 1.00 25.00 H new ATOM 747 N TRP A 44 6.643 -9.858 -2.295 1.00 25.00 N ATOM 748 CA TRP A 44 5.793 -11.023 -2.464 1.00 25.00 C ATOM 749 C TRP A 44 4.563 -10.991 -1.566 1.00 25.00 C ATOM 750 O TRP A 44 3.574 -11.633 -1.871 1.00 25.00 O ATOM 751 CB TRP A 44 6.595 -12.294 -2.178 1.00 25.00 C ATOM 752 CG TRP A 44 7.652 -12.119 -1.113 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.472 -11.763 0.186 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.074 -12.309 -1.261 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.655 -11.715 0.865 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.668 -12.052 0.012 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.907 -12.677 -2.337 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.055 -12.158 0.231 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.306 -12.784 -2.119 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.862 -12.523 -0.833 1.00 25.00 C ATOM 0 H TRP A 44 7.476 -10.022 -1.730 1.00 25.00 H new ATOM 0 HA TRP A 44 5.444 -11.014 -3.496 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.910 -13.084 -1.871 1.00 25.00 H new ATOM 0 HB3 TRP A 44 7.072 -12.627 -3.100 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.511 -11.545 0.627 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.765 -11.468 1.848 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.487 -12.875 -3.312 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.479 -11.960 1.204 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.955 -13.066 -2.935 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.928 -12.611 -0.686 1.00 25.00 H new ATOM 771 N PHE A 45 4.616 -10.262 -0.457 1.00 25.00 N ATOM 772 CA PHE A 45 3.503 -10.274 0.500 1.00 25.00 C ATOM 773 C PHE A 45 2.185 -9.744 -0.085 1.00 25.00 C ATOM 774 O PHE A 45 1.161 -10.426 0.013 1.00 25.00 O ATOM 775 CB PHE A 45 3.858 -9.502 1.777 1.00 25.00 C ATOM 776 CG PHE A 45 2.751 -9.504 2.802 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.733 -8.530 2.758 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.702 -10.490 3.803 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.676 -8.542 3.697 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.652 -10.496 4.758 1.00 25.00 C ATOM 781 CZ PHE A 45 0.640 -9.524 4.699 1.00 25.00 C ATOM 0 H PHE A 45 5.400 -9.664 -0.196 1.00 25.00 H new ATOM 0 HA PHE A 45 3.342 -11.324 0.745 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.754 -9.937 2.219 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.100 -8.472 1.515 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.761 -7.764 1.997 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.469 -11.249 3.846 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.103 -7.796 3.643 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.631 -11.249 5.531 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.163 -9.532 5.422 1.00 25.00 H new ATOM 791 N PRO A 46 2.177 -8.539 -0.706 1.00 25.00 N ATOM 792 CA PRO A 46 0.851 -8.161 -1.208 1.00 25.00 C ATOM 793 C PRO A 46 0.378 -9.025 -2.378 1.00 25.00 C ATOM 794 O PRO A 46 -0.820 -9.177 -2.593 1.00 25.00 O ATOM 795 CB PRO A 46 1.045 -6.699 -1.624 1.00 25.00 C ATOM 796 CG PRO A 46 2.471 -6.599 -1.972 1.00 25.00 C ATOM 797 CD PRO A 46 3.172 -7.479 -0.982 1.00 25.00 C ATOM 0 HA PRO A 46 0.073 -8.303 -0.458 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.411 -6.441 -2.472 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.786 -6.018 -0.813 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.653 -6.931 -2.994 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.823 -5.570 -1.904 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.095 -7.890 -1.392 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.440 -6.933 -0.077 1.00 25.00 H new ATOM 805 N GLN A 47 1.317 -9.644 -3.083 1.00 25.00 N ATOM 806 CA GLN A 47 0.998 -10.517 -4.207 1.00 25.00 C ATOM 807 C GLN A 47 0.352 -11.834 -3.760 1.00 25.00 C ATOM 808 O GLN A 47 -0.245 -12.534 -4.569 1.00 25.00 O ATOM 809 CB GLN A 47 2.264 -10.803 -5.024 1.00 25.00 C ATOM 810 CG GLN A 47 2.377 -9.975 -6.315 1.00 25.00 C ATOM 811 CD GLN A 47 2.869 -8.550 -6.087 1.00 25.00 C ATOM 812 OE1 GLN A 47 2.357 -7.822 -5.257 1.00 25.00 O ATOM 813 NE2 GLN A 47 3.857 -8.151 -6.844 1.00 25.00 N ATOM 0 H GLN A 47 2.315 -9.556 -2.894 1.00 25.00 H new ATOM 0 HA GLN A 47 0.269 -9.994 -4.826 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.137 -10.607 -4.402 1.00 25.00 H new ATOM 0 HB3 GLN A 47 2.286 -11.862 -5.281 1.00 25.00 H new ATOM 0 HG2 GLN A 47 3.057 -10.479 -7.002 1.00 25.00 H new ATOM 0 HG3 GLN A 47 1.402 -9.940 -6.801 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.263 -8.787 -7.530 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.222 -7.203 -6.749 1.00 25.00 H new ATOM 822 N GLU A 48 0.448 -12.168 -2.478 1.00 25.00 N ATOM 823 CA GLU A 48 -0.220 -13.370 -1.968 1.00 25.00 C ATOM 824 C GLU A 48 -1.717 -13.102 -1.820 1.00 25.00 C ATOM 825 O GLU A 48 -2.517 -14.032 -1.721 1.00 25.00 O ATOM 826 CB GLU A 48 0.348 -13.804 -0.613 1.00 25.00 C ATOM 827 CG GLU A 48 1.821 -14.184 -0.657 1.00 25.00 C ATOM 828 CD GLU A 48 2.201 -15.161 0.436 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.703 -16.312 0.403 1.00 25.00 O ATOM 830 OE2 GLU A 48 3.004 -14.808 1.329 1.00 25.00 O ATOM 0 H GLU A 48 0.970 -11.638 -1.780 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.047 -14.174 -2.684 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.213 -12.994 0.103 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.226 -14.654 -0.245 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.051 -14.623 -1.628 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.428 -13.284 -0.562 1.00 25.00 H new ATOM 837 N GLY A 49 -2.080 -11.823 -1.775 1.00 25.00 N ATOM 838 CA GLY A 49 -3.476 -11.413 -1.678 1.00 25.00 C ATOM 839 C GLY A 49 -4.227 -11.958 -0.478 1.00 25.00 C ATOM 840 O GLY A 49 -5.446 -12.044 -0.510 1.00 25.00 O ATOM 0 H GLY A 49 -1.419 -11.047 -1.805 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.517 -10.324 -1.648 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.994 -11.727 -2.584 1.00 25.00 H new ATOM 844 N THR A 50 -3.511 -12.366 0.560 1.00 25.00 N ATOM 845 CA THR A 50 -4.133 -12.990 1.726 1.00 25.00 C ATOM 846 C THR A 50 -3.574 -12.399 3.009 1.00 25.00 C ATOM 847 O THR A 50 -2.356 -12.296 3.163 1.00 25.00 O ATOM 848 CB THR A 50 -3.859 -14.508 1.745 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.197 -15.083 0.480 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.682 -15.208 2.821 1.00 25.00 C ATOM 0 H THR A 50 -2.497 -12.277 0.621 1.00 25.00 H new ATOM 0 HA THR A 50 -5.205 -12.805 1.661 1.00 25.00 H new ATOM 0 HB THR A 50 -2.799 -14.645 1.958 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.578 -14.754 -0.205 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.465 -16.276 2.807 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.427 -14.798 3.798 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.743 -15.051 2.627 1.00 25.00 H new ATOM 858 N ILE A 51 -4.447 -12.039 3.940 1.00 25.00 N ATOM 859 CA ILE A 51 -4.013 -11.494 5.224 1.00 25.00 C ATOM 860 C ILE A 51 -4.314 -12.500 6.318 1.00 25.00 C ATOM 861 O ILE A 51 -5.458 -12.825 6.615 1.00 25.00 O ATOM 862 CB ILE A 51 -4.700 -10.151 5.554 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.484 -9.126 4.433 1.00 25.00 C ATOM 864 CG2 ILE A 51 -4.184 -9.578 6.914 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.045 -8.724 4.124 1.00 25.00 C ATOM 0 H ILE A 51 -5.459 -12.113 3.833 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.942 -11.304 5.160 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.769 -10.344 5.641 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.927 -9.525 3.520 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -5.039 -8.224 4.689 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.683 -8.632 7.123 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.400 -10.287 7.713 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -3.108 -9.415 6.855 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.037 -7.996 3.313 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.592 -8.284 5.012 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.477 -9.605 3.826 1.00 25.00 H new ATOM 877 N ASP A 52 -3.249 -12.999 6.909 1.00 25.00 N ATOM 878 CA ASP A 52 -3.329 -13.982 7.985 1.00 25.00 C ATOM 879 C ASP A 52 -2.039 -13.891 8.762 1.00 25.00 C ATOM 880 O ASP A 52 -1.046 -13.384 8.249 1.00 25.00 O ATOM 881 CB ASP A 52 -3.456 -15.394 7.425 1.00 25.00 C ATOM 882 CG ASP A 52 -3.529 -16.443 8.509 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.238 -16.255 9.513 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.732 -17.392 8.433 1.00 25.00 O ATOM 0 H ASP A 52 -2.295 -12.737 6.660 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.201 -13.779 8.607 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.349 -15.456 6.804 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.603 -15.603 6.779 1.00 25.00 H new ATOM 889 N ILE A 53 -2.026 -14.422 9.969 1.00 25.00 N ATOM 890 CA ILE A 53 -0.836 -14.403 10.800 1.00 25.00 C ATOM 891 C ILE A 53 0.287 -15.236 10.184 1.00 25.00 C ATOM 892 O ILE A 53 1.454 -14.904 10.339 1.00 25.00 O ATOM 893 CB ILE A 53 -1.192 -14.882 12.236 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.069 -14.551 13.241 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.515 -16.395 12.281 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.136 -13.057 13.501 1.00 25.00 C ATOM 0 H ILE A 53 -2.832 -14.875 10.399 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.465 -13.380 10.862 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.089 -14.336 12.527 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.290 -15.044 14.188 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.866 -14.974 12.873 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.758 -16.685 13.303 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.366 -16.605 11.633 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.649 -16.962 11.939 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.944 -12.920 14.219 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.392 -12.557 12.567 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.782 -12.628 13.902 1.00 25.00 H new ATOM 908 N LYS A 54 -0.052 -16.282 9.435 1.00 25.00 N ATOM 909 CA LYS A 54 0.969 -17.122 8.799 1.00 25.00 C ATOM 910 C LYS A 54 1.635 -16.352 7.669 1.00 25.00 C ATOM 911 O LYS A 54 2.831 -16.476 7.446 1.00 25.00 O ATOM 912 CB LYS A 54 0.350 -18.415 8.261 1.00 25.00 C ATOM 913 CG LYS A 54 -0.337 -19.257 9.343 1.00 25.00 C ATOM 914 CD LYS A 54 -1.130 -20.411 8.732 1.00 25.00 C ATOM 915 CE LYS A 54 -2.273 -20.842 9.657 1.00 25.00 C ATOM 916 NZ LYS A 54 -3.427 -19.863 9.605 1.00 25.00 N ATOM 0 H LYS A 54 -1.014 -16.569 9.252 1.00 25.00 H new ATOM 0 HA LYS A 54 1.717 -17.387 9.546 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.377 -18.167 7.488 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.129 -19.012 7.786 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.412 -19.652 10.029 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.004 -18.625 9.929 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.534 -20.108 7.766 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -0.467 -21.256 8.549 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.622 -21.833 9.368 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -1.905 -20.919 10.680 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.767 -19.675 10.570 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -3.108 -18.973 9.171 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.200 -20.267 9.038 1.00 25.00 H new ATOM 930 N ARG A 55 0.863 -15.513 6.993 1.00 25.00 N ATOM 931 CA ARG A 55 1.410 -14.656 5.940 1.00 25.00 C ATOM 932 C ARG A 55 2.227 -13.547 6.586 1.00 25.00 C ATOM 933 O ARG A 55 3.297 -13.195 6.115 1.00 25.00 O ATOM 934 CB ARG A 55 0.281 -14.048 5.095 1.00 25.00 C ATOM 935 CG ARG A 55 0.243 -14.571 3.670 1.00 25.00 C ATOM 936 CD ARG A 55 -0.606 -15.830 3.539 1.00 25.00 C ATOM 937 NE ARG A 55 -0.440 -16.401 2.196 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.265 -17.242 1.589 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.360 -17.691 2.147 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.966 -17.633 0.386 1.00 25.00 N ATOM 0 H ARG A 55 -0.139 -15.404 7.150 1.00 25.00 H new ATOM 0 HA ARG A 55 2.043 -15.253 5.283 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.675 -14.256 5.576 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.397 -12.964 5.073 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.154 -13.798 3.012 1.00 25.00 H new ATOM 0 HG3 ARG A 55 1.259 -14.784 3.336 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.311 -16.559 4.294 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -1.655 -15.593 3.717 1.00 25.00 H new ATOM 0 HE ARG A 55 0.394 -16.122 1.679 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.610 -17.394 3.090 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.963 -18.338 1.639 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -0.116 -17.293 -0.064 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.581 -18.280 -0.108 1.00 25.00 H new ATOM 954 N TRP A 56 1.723 -13.023 7.692 1.00 25.00 N ATOM 955 CA TRP A 56 2.386 -11.941 8.415 1.00 25.00 C ATOM 956 C TRP A 56 3.761 -12.349 8.939 1.00 25.00 C ATOM 957 O TRP A 56 4.648 -11.507 9.049 1.00 25.00 O ATOM 958 CB TRP A 56 1.490 -11.471 9.565 1.00 25.00 C ATOM 959 CG TRP A 56 1.883 -10.137 10.140 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.203 -9.861 11.428 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.992 -8.875 9.442 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.503 -8.541 11.602 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.398 -7.900 10.401 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.793 -8.470 8.106 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.625 -6.552 10.057 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.016 -7.112 7.758 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.435 -6.169 8.742 1.00 25.00 C ATOM 0 H TRP A 56 0.848 -13.331 8.115 1.00 25.00 H new ATOM 0 HA TRP A 56 2.548 -11.121 7.715 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.461 -11.413 9.210 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.512 -12.218 10.358 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.219 -10.596 12.219 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.763 -8.104 12.486 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.476 -9.182 7.359 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.940 -5.836 10.802 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.867 -6.790 6.738 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.606 -5.142 8.456 1.00 25.00 H new ATOM 978 N ARG A 57 3.963 -13.641 9.198 1.00 25.00 N ATOM 979 CA ARG A 57 5.286 -14.142 9.625 1.00 25.00 C ATOM 980 C ARG A 57 6.349 -13.700 8.671 1.00 25.00 C ATOM 981 O ARG A 57 7.354 -13.145 9.068 1.00 25.00 O ATOM 982 CB ARG A 57 5.361 -15.681 9.657 1.00 25.00 C ATOM 983 CG ARG A 57 4.378 -16.377 10.551 1.00 25.00 C ATOM 984 CD ARG A 57 4.362 -15.829 11.958 1.00 25.00 C ATOM 985 NE ARG A 57 5.013 -16.744 12.918 1.00 25.00 N ATOM 986 CZ ARG A 57 6.328 -16.828 13.137 1.00 25.00 C ATOM 987 NH1 ARG A 57 7.211 -16.097 12.498 1.00 25.00 N ATOM 988 NH2 ARG A 57 6.765 -17.676 14.027 1.00 25.00 N ATOM 0 H ARG A 57 3.242 -14.359 9.123 1.00 25.00 H new ATOM 0 HA ARG A 57 5.436 -13.740 10.627 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.221 -16.051 8.641 1.00 25.00 H new ATOM 0 HB3 ARG A 57 6.366 -15.968 9.965 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.380 -16.288 10.122 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.617 -17.440 10.585 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.869 -14.864 11.977 1.00 25.00 H new ATOM 0 HD3 ARG A 57 3.331 -15.654 12.267 1.00 25.00 H new ATOM 0 HE ARG A 57 4.408 -17.363 13.458 1.00 25.00 H new ATOM 0 HH11 ARG A 57 6.904 -15.425 11.795 1.00 25.00 H new ATOM 0 HH12 ARG A 57 8.204 -16.201 12.704 1.00 25.00 H new ATOM 0 HH21 ARG A 57 6.106 -18.260 14.541 1.00 25.00 H new ATOM 0 HH22 ARG A 57 7.766 -17.755 14.208 1.00 25.00 H new ATOM 1002 N ARG A 58 6.080 -13.938 7.402 1.00 25.00 N ATOM 1003 CA ARG A 58 7.039 -13.651 6.328 1.00 25.00 C ATOM 1004 C ARG A 58 7.525 -12.215 6.322 1.00 25.00 C ATOM 1005 O ARG A 58 8.637 -11.953 5.914 1.00 25.00 O ATOM 1006 CB ARG A 58 6.434 -13.989 4.963 1.00 25.00 C ATOM 1007 CG ARG A 58 6.329 -15.483 4.712 1.00 25.00 C ATOM 1008 CD ARG A 58 5.689 -15.775 3.364 1.00 25.00 C ATOM 1009 NE ARG A 58 5.966 -17.160 2.945 1.00 25.00 N ATOM 1010 CZ ARG A 58 5.456 -17.753 1.871 1.00 25.00 C ATOM 1011 NH1 ARG A 58 4.600 -17.164 1.082 1.00 25.00 N ATOM 1012 NH2 ARG A 58 5.818 -18.973 1.590 1.00 25.00 N ATOM 0 H ARG A 58 5.198 -14.334 7.077 1.00 25.00 H new ATOM 0 HA ARG A 58 7.905 -14.283 6.523 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.442 -13.544 4.892 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.043 -13.537 4.180 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.322 -15.931 4.750 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.740 -15.946 5.504 1.00 25.00 H new ATOM 0 HD2 ARG A 58 4.612 -15.617 3.425 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.071 -15.080 2.616 1.00 25.00 H new ATOM 0 HE ARG A 58 6.600 -17.708 3.526 1.00 25.00 H new ATOM 0 HH11 ARG A 58 4.297 -16.210 1.279 1.00 25.00 H new ATOM 0 HH12 ARG A 58 4.234 -17.657 0.268 1.00 25.00 H new ATOM 0 HH21 ARG A 58 6.484 -19.459 2.191 1.00 25.00 H new ATOM 0 HH22 ARG A 58 5.436 -19.442 0.769 1.00 25.00 H new ATOM 1026 N VAL A 59 6.709 -11.286 6.793 1.00 25.00 N ATOM 1027 CA VAL A 59 7.113 -9.883 6.850 1.00 25.00 C ATOM 1028 C VAL A 59 8.169 -9.671 7.932 1.00 25.00 C ATOM 1029 O VAL A 59 9.156 -8.967 7.732 1.00 25.00 O ATOM 1030 CB VAL A 59 5.895 -8.979 7.155 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.299 -7.518 7.177 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.808 -9.210 6.125 1.00 25.00 C ATOM 0 H VAL A 59 5.768 -11.472 7.140 1.00 25.00 H new ATOM 0 HA VAL A 59 7.530 -9.617 5.879 1.00 25.00 H new ATOM 0 HB VAL A 59 5.510 -9.239 8.141 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.426 -6.902 7.393 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.054 -7.361 7.947 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.708 -7.239 6.206 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.954 -8.570 6.347 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.191 -8.973 5.132 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.496 -10.254 6.153 1.00 25.00 H new ATOM 1042 N GLY A 60 7.961 -10.293 9.080 1.00 25.00 N ATOM 1043 CA GLY A 60 8.888 -10.145 10.185 1.00 25.00 C ATOM 1044 C GLY A 60 10.145 -10.943 9.931 1.00 25.00 C ATOM 1045 O GLY A 60 11.243 -10.504 10.253 1.00 25.00 O ATOM 0 H GLY A 60 7.164 -10.901 9.269 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.139 -9.093 10.319 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.418 -10.480 11.109 1.00 25.00 H new ATOM 1049 N ASP A 61 9.976 -12.094 9.298 1.00 25.00 N ATOM 1050 CA ASP A 61 11.095 -12.962 8.935 1.00 25.00 C ATOM 1051 C ASP A 61 11.981 -12.190 7.945 1.00 25.00 C ATOM 1052 O ASP A 61 13.206 -12.203 8.036 1.00 25.00 O ATOM 1053 CB ASP A 61 10.582 -14.264 8.283 1.00 25.00 C ATOM 1054 CG ASP A 61 9.642 -15.078 9.199 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.731 -14.984 10.447 1.00 25.00 O ATOM 1056 OD2 ASP A 61 8.773 -15.797 8.644 1.00 25.00 O ATOM 0 H ASP A 61 9.063 -12.455 9.020 1.00 25.00 H new ATOM 0 HA ASP A 61 11.662 -13.237 9.825 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.055 -14.017 7.361 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.435 -14.884 8.007 1.00 25.00 H new ATOM 1061 N CYS A 62 11.337 -11.454 7.043 1.00 25.00 N ATOM 1062 CA CYS A 62 12.041 -10.610 6.077 1.00 25.00 C ATOM 1063 C CYS A 62 12.843 -9.533 6.781 1.00 25.00 C ATOM 1064 O CYS A 62 14.017 -9.343 6.489 1.00 25.00 O ATOM 1065 CB CYS A 62 11.043 -9.909 5.156 1.00 25.00 C ATOM 1066 SG CYS A 62 11.120 -10.410 3.432 1.00 25.00 S ATOM 0 H CYS A 62 10.321 -11.424 6.960 1.00 25.00 H new ATOM 0 HA CYS A 62 12.704 -11.259 5.505 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.035 -10.095 5.528 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.211 -8.834 5.214 1.00 25.00 H new ATOM 0 HG CYS A 62 10.211 -9.774 2.754 1.00 25.00 H new ATOM 1072 N PHE A 63 12.210 -8.811 7.698 1.00 25.00 N ATOM 1073 CA PHE A 63 12.902 -7.740 8.410 1.00 25.00 C ATOM 1074 C PHE A 63 14.093 -8.300 9.165 1.00 25.00 C ATOM 1075 O PHE A 63 15.116 -7.642 9.259 1.00 25.00 O ATOM 1076 CB PHE A 63 11.993 -7.035 9.426 1.00 25.00 C ATOM 1077 CG PHE A 63 10.803 -6.311 8.825 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.813 -5.823 7.497 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.660 -6.084 9.620 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.692 -5.131 6.971 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.543 -5.382 9.106 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.559 -4.910 7.777 1.00 25.00 C ATOM 0 H PHE A 63 11.234 -8.943 7.964 1.00 25.00 H new ATOM 0 HA PHE A 63 13.217 -7.019 7.656 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.628 -7.774 10.139 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.590 -6.317 9.989 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.684 -5.979 6.877 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.637 -6.451 10.635 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.708 -4.774 5.952 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.680 -5.208 9.731 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.705 -4.381 7.379 1.00 25.00 H new ATOM 1092 N GLN A 64 13.958 -9.502 9.709 1.00 25.00 N ATOM 1093 CA GLN A 64 15.030 -10.106 10.491 1.00 25.00 C ATOM 1094 C GLN A 64 16.255 -10.381 9.633 1.00 25.00 C ATOM 1095 O GLN A 64 17.363 -10.027 10.009 1.00 25.00 O ATOM 1096 CB GLN A 64 14.545 -11.405 11.141 1.00 25.00 C ATOM 1097 CG GLN A 64 15.537 -12.004 12.124 1.00 25.00 C ATOM 1098 CD GLN A 64 15.029 -13.291 12.729 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.305 -13.284 13.713 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.396 -14.398 12.139 1.00 25.00 N ATOM 0 H GLN A 64 13.120 -10.077 9.624 1.00 25.00 H new ATOM 0 HA GLN A 64 15.314 -9.398 11.270 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.605 -11.213 11.659 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.335 -12.135 10.360 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.483 -12.191 11.615 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.739 -11.285 12.918 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.002 -14.362 11.319 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.077 -15.298 12.498 1.00 25.00 H new ATOM 1109 N ASP A 65 16.074 -10.992 8.475 1.00 25.00 N ATOM 1110 CA ASP A 65 17.224 -11.312 7.628 1.00 25.00 C ATOM 1111 C ASP A 65 17.774 -10.065 6.948 1.00 25.00 C ATOM 1112 O ASP A 65 18.978 -9.946 6.732 1.00 25.00 O ATOM 1113 CB ASP A 65 16.859 -12.382 6.600 1.00 25.00 C ATOM 1114 CG ASP A 65 16.913 -13.791 7.186 1.00 25.00 C ATOM 1115 OD1 ASP A 65 17.512 -13.968 8.279 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.377 -14.721 6.552 1.00 25.00 O ATOM 0 H ASP A 65 15.168 -11.273 8.101 1.00 25.00 H new ATOM 0 HA ASP A 65 18.010 -11.711 8.269 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.857 -12.188 6.217 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.542 -12.317 5.753 1.00 25.00 H new ATOM 1121 N TYR A 66 16.917 -9.094 6.678 1.00 25.00 N ATOM 1122 CA TYR A 66 17.375 -7.825 6.118 1.00 25.00 C ATOM 1123 C TYR A 66 18.225 -7.100 7.174 1.00 25.00 C ATOM 1124 O TYR A 66 19.262 -6.515 6.864 1.00 25.00 O ATOM 1125 CB TYR A 66 16.175 -6.974 5.693 1.00 25.00 C ATOM 1126 CG TYR A 66 16.467 -6.010 4.562 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.259 -4.864 4.760 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.943 -6.244 3.274 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.512 -3.962 3.695 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.195 -5.340 2.207 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.975 -4.204 2.434 1.00 25.00 C ATOM 1132 OH TYR A 66 17.216 -3.318 1.415 1.00 25.00 O ATOM 0 H TYR A 66 15.911 -9.154 6.834 1.00 25.00 H new ATOM 0 HA TYR A 66 17.984 -8.002 5.231 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.363 -7.636 5.391 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.821 -6.409 6.555 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.680 -4.669 5.735 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.341 -7.123 3.096 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.122 -3.087 3.863 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.786 -5.530 1.226 1.00 25.00 H new ATOM 0 HH TYR A 66 16.773 -3.630 0.599 1.00 25.00 H new ATOM 1142 N PHE A 67 17.810 -7.195 8.432 1.00 25.00 N ATOM 1143 CA PHE A 67 18.569 -6.632 9.552 1.00 25.00 C ATOM 1144 C PHE A 67 19.883 -7.394 9.737 1.00 25.00 C ATOM 1145 O PHE A 67 20.913 -6.793 9.994 1.00 25.00 O ATOM 1146 CB PHE A 67 17.728 -6.715 10.833 1.00 25.00 C ATOM 1147 CG PHE A 67 18.354 -6.047 12.029 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.352 -6.702 12.781 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.926 -4.771 12.433 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.924 -6.083 13.917 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.480 -4.148 13.571 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.486 -4.803 14.313 1.00 25.00 C ATOM 0 H PHE A 67 16.945 -7.660 8.707 1.00 25.00 H new ATOM 0 HA PHE A 67 18.800 -5.588 9.339 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.755 -6.260 10.645 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.549 -7.764 11.069 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.683 -7.687 12.486 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.163 -4.260 11.865 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.694 -6.590 14.479 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.135 -3.171 13.874 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.918 -4.326 15.180 1.00 25.00 H new ATOM 1162 N ASN A 68 19.860 -8.709 9.570 1.00 25.00 N ATOM 1163 CA ASN A 68 21.079 -9.513 9.709 1.00 25.00 C ATOM 1164 C ASN A 68 22.096 -9.138 8.632 1.00 25.00 C ATOM 1165 O ASN A 68 23.299 -9.203 8.855 1.00 25.00 O ATOM 1166 CB ASN A 68 20.764 -11.015 9.594 1.00 25.00 C ATOM 1167 CG ASN A 68 20.019 -11.552 10.795 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.185 -11.072 11.906 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.217 -12.563 10.584 1.00 25.00 N ATOM 0 H ASN A 68 19.022 -9.243 9.340 1.00 25.00 H new ATOM 0 HA ASN A 68 21.496 -9.307 10.695 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.170 -11.189 8.697 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.695 -11.568 9.473 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.704 -12.978 11.362 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.104 -12.937 9.642 1.00 25.00 H new ATOM 1176 N THR A 69 21.605 -8.757 7.463 1.00 25.00 N ATOM 1177 CA THR A 69 22.476 -8.416 6.339 1.00 25.00 C ATOM 1178 C THR A 69 23.002 -6.975 6.397 1.00 25.00 C ATOM 1179 O THR A 69 24.163 -6.723 6.078 1.00 25.00 O ATOM 1180 CB THR A 69 21.714 -8.611 5.000 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.127 -9.914 4.972 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.646 -8.503 3.801 1.00 25.00 C ATOM 0 H THR A 69 20.608 -8.675 7.264 1.00 25.00 H new ATOM 0 HA THR A 69 23.334 -9.085 6.403 1.00 25.00 H new ATOM 0 HB THR A 69 20.957 -7.829 4.940 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.357 -9.939 5.578 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.076 -8.645 2.883 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.112 -7.518 3.790 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.418 -9.269 3.870 1.00 25.00 H new ATOM 1190 N PHE A 70 22.146 -6.023 6.754 1.00 25.00 N ATOM 1191 CA PHE A 70 22.511 -4.599 6.676 1.00 25.00 C ATOM 1192 C PHE A 70 22.512 -3.825 8.004 1.00 25.00 C ATOM 1193 O PHE A 70 22.816 -2.630 8.031 1.00 25.00 O ATOM 1194 CB PHE A 70 21.568 -3.900 5.703 1.00 25.00 C ATOM 1195 CG PHE A 70 21.602 -4.463 4.309 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.647 -4.124 3.431 1.00 25.00 C ATOM 1197 CD2 PHE A 70 20.585 -5.324 3.860 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.681 -4.639 2.111 1.00 25.00 C ATOM 1199 CE2 PHE A 70 20.599 -5.837 2.542 1.00 25.00 C ATOM 1200 CZ PHE A 70 21.649 -5.494 1.665 1.00 25.00 C ATOM 0 H PHE A 70 21.202 -6.201 7.098 1.00 25.00 H new ATOM 0 HA PHE A 70 23.549 -4.593 6.342 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.550 -3.968 6.087 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.823 -2.841 5.663 1.00 25.00 H new ATOM 0 HD1 PHE A 70 23.433 -3.463 3.767 1.00 25.00 H new ATOM 0 HD2 PHE A 70 19.783 -5.597 4.530 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.493 -4.379 1.448 1.00 25.00 H new ATOM 0 HE2 PHE A 70 19.807 -6.490 2.208 1.00 25.00 H new ATOM 0 HZ PHE A 70 21.664 -5.883 0.658 1.00 25.00 H new ATOM 1210 N GLY A 71 22.195 -4.491 9.102 1.00 25.00 N ATOM 1211 CA GLY A 71 22.256 -3.862 10.414 1.00 25.00 C ATOM 1212 C GLY A 71 21.131 -2.893 10.763 1.00 25.00 C ATOM 1213 O GLY A 71 20.212 -2.648 9.962 1.00 25.00 O ATOM 0 H GLY A 71 21.893 -5.465 9.113 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.273 -4.649 11.168 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.202 -3.326 10.491 1.00 25.00 H new ATOM 1217 N PRO A 72 21.195 -2.284 11.967 1.00 25.00 N ATOM 1218 CA PRO A 72 20.164 -1.339 12.420 1.00 25.00 C ATOM 1219 C PRO A 72 20.176 -0.014 11.672 1.00 25.00 C ATOM 1220 O PRO A 72 19.203 0.734 11.693 1.00 25.00 O ATOM 1221 CB PRO A 72 20.517 -1.133 13.897 1.00 25.00 C ATOM 1222 CG PRO A 72 21.978 -1.327 13.951 1.00 25.00 C ATOM 1223 CD PRO A 72 22.241 -2.464 12.996 1.00 25.00 C ATOM 0 HA PRO A 72 19.160 -1.726 12.245 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.235 -0.137 14.239 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.997 -1.848 14.534 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.510 -0.424 13.650 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.309 -1.571 14.960 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.242 -2.408 12.568 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.159 -3.432 13.489 1.00 25.00 H new ATOM 1231 N GLU A 73 21.273 0.256 10.980 1.00 25.00 N ATOM 1232 CA GLU A 73 21.415 1.483 10.204 1.00 25.00 C ATOM 1233 C GLU A 73 20.508 1.439 8.981 1.00 25.00 C ATOM 1234 O GLU A 73 20.194 2.468 8.377 1.00 25.00 O ATOM 1235 CB GLU A 73 22.872 1.642 9.753 1.00 25.00 C ATOM 1236 CG GLU A 73 23.881 1.550 10.897 1.00 25.00 C ATOM 1237 CD GLU A 73 23.556 2.506 12.036 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.441 3.724 11.786 1.00 25.00 O ATOM 1239 OE2 GLU A 73 23.388 2.026 13.178 1.00 25.00 O ATOM 0 H GLU A 73 22.084 -0.362 10.939 1.00 25.00 H new ATOM 0 HA GLU A 73 21.131 2.330 10.828 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.101 0.873 9.015 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.986 2.605 9.256 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.902 0.529 11.278 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.879 1.769 10.516 1.00 25.00 H new ATOM 1246 N LYS A 74 20.096 0.235 8.601 1.00 25.00 N ATOM 1247 CA LYS A 74 19.255 0.055 7.423 1.00 25.00 C ATOM 1248 C LYS A 74 17.830 -0.365 7.756 1.00 25.00 C ATOM 1249 O LYS A 74 16.894 0.047 7.056 1.00 25.00 O ATOM 1250 CB LYS A 74 19.909 -0.961 6.493 1.00 25.00 C ATOM 1251 CG LYS A 74 19.321 -0.999 5.088 1.00 25.00 C ATOM 1252 CD LYS A 74 19.653 0.255 4.270 1.00 25.00 C ATOM 1253 CE LYS A 74 18.543 0.555 3.271 1.00 25.00 C ATOM 1254 NZ LYS A 74 17.303 1.040 3.984 1.00 25.00 N ATOM 0 H LYS A 74 20.330 -0.629 9.090 1.00 25.00 H new ATOM 0 HA LYS A 74 19.173 1.024 6.930 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.974 -0.738 6.422 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.820 -1.952 6.938 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.698 -1.878 4.565 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.238 -1.107 5.155 1.00 25.00 H new ATOM 0 HD2 LYS A 74 19.788 1.106 4.938 1.00 25.00 H new ATOM 0 HD3 LYS A 74 20.596 0.112 3.742 1.00 25.00 H new ATOM 0 HE2 LYS A 74 18.880 1.310 2.561 1.00 25.00 H new ATOM 0 HE3 LYS A 74 18.311 -0.342 2.696 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 16.471 0.535 3.616 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.395 0.858 5.004 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.187 2.061 3.824 1.00 25.00 H new ATOM 1268 N VAL A 75 17.646 -1.141 8.817 1.00 25.00 N ATOM 1269 CA VAL A 75 16.297 -1.500 9.269 1.00 25.00 C ATOM 1270 C VAL A 75 16.162 -1.012 10.706 1.00 25.00 C ATOM 1271 O VAL A 75 16.994 -1.330 11.546 1.00 25.00 O ATOM 1272 CB VAL A 75 16.105 -3.053 9.250 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.706 -3.462 9.762 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.312 -3.594 7.846 1.00 25.00 C ATOM 0 H VAL A 75 18.402 -1.533 9.379 1.00 25.00 H new ATOM 0 HA VAL A 75 15.552 -1.050 8.613 1.00 25.00 H new ATOM 0 HB VAL A 75 16.851 -3.481 9.920 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.611 -4.547 9.734 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.577 -3.113 10.787 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.941 -3.014 9.127 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.175 -4.675 7.849 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.588 -3.138 7.170 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.321 -3.357 7.510 1.00 25.00 H new ATOM 1284 N PRO A 76 15.070 -0.299 11.033 1.00 25.00 N ATOM 1285 CA PRO A 76 15.002 0.114 12.435 1.00 25.00 C ATOM 1286 C PRO A 76 14.512 -0.999 13.344 1.00 25.00 C ATOM 1287 O PRO A 76 13.662 -1.797 12.960 1.00 25.00 O ATOM 1288 CB PRO A 76 13.999 1.262 12.400 1.00 25.00 C ATOM 1289 CG PRO A 76 13.076 0.914 11.292 1.00 25.00 C ATOM 1290 CD PRO A 76 13.930 0.221 10.251 1.00 25.00 C ATOM 0 HA PRO A 76 15.978 0.388 12.835 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.466 1.353 13.347 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.494 2.216 12.220 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.275 0.261 11.640 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.604 1.806 10.881 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.385 -0.581 9.754 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.258 0.913 9.475 1.00 25.00 H new ATOM 1298 N VAL A 77 14.965 -1.004 14.587 1.00 25.00 N ATOM 1299 CA VAL A 77 14.490 -1.994 15.553 1.00 25.00 C ATOM 1300 C VAL A 77 13.002 -1.782 15.863 1.00 25.00 C ATOM 1301 O VAL A 77 12.298 -2.706 16.265 1.00 25.00 O ATOM 1302 CB VAL A 77 15.330 -1.966 16.863 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.784 -2.367 16.564 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.302 -0.569 17.522 1.00 25.00 C ATOM 0 H VAL A 77 15.652 -0.345 14.952 1.00 25.00 H new ATOM 0 HA VAL A 77 14.614 -2.978 15.101 1.00 25.00 H new ATOM 0 HB VAL A 77 14.888 -2.679 17.558 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.365 -2.345 17.486 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.805 -3.373 16.146 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.214 -1.667 15.847 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.898 -0.585 18.434 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.714 0.167 16.832 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.274 -0.302 17.766 1.00 25.00 H new ATOM 1314 N THR A 78 12.495 -0.580 15.606 1.00 25.00 N ATOM 1315 CA THR A 78 11.077 -0.305 15.833 1.00 25.00 C ATOM 1316 C THR A 78 10.207 -0.989 14.789 1.00 25.00 C ATOM 1317 O THR A 78 9.026 -1.193 15.019 1.00 25.00 O ATOM 1318 CB THR A 78 10.762 1.218 15.866 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.552 1.438 16.592 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.596 1.814 14.483 1.00 25.00 C ATOM 0 H THR A 78 13.033 0.208 15.246 1.00 25.00 H new ATOM 0 HA THR A 78 10.843 -0.714 16.816 1.00 25.00 H new ATOM 0 HB THR A 78 11.612 1.704 16.345 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.928 0.702 16.419 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.378 2.878 14.569 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.516 1.677 13.915 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.774 1.316 13.968 1.00 25.00 H new ATOM 1328 N ALA A 79 10.779 -1.390 13.658 1.00 25.00 N ATOM 1329 CA ALA A 79 9.991 -2.082 12.642 1.00 25.00 C ATOM 1330 C ALA A 79 9.463 -3.397 13.215 1.00 25.00 C ATOM 1331 O ALA A 79 8.335 -3.780 12.945 1.00 25.00 O ATOM 1332 CB ALA A 79 10.829 -2.335 11.398 1.00 25.00 C ATOM 0 H ALA A 79 11.762 -1.253 13.424 1.00 25.00 H new ATOM 0 HA ALA A 79 9.146 -1.455 12.355 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.225 -2.852 10.652 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.173 -1.384 10.992 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.690 -2.951 11.658 1.00 25.00 H new ATOM 1338 N PHE A 80 10.265 -4.057 14.037 1.00 25.00 N ATOM 1339 CA PHE A 80 9.859 -5.314 14.667 1.00 25.00 C ATOM 1340 C PHE A 80 8.808 -5.071 15.746 1.00 25.00 C ATOM 1341 O PHE A 80 7.922 -5.891 15.968 1.00 25.00 O ATOM 1342 CB PHE A 80 11.072 -5.990 15.301 1.00 25.00 C ATOM 1343 CG PHE A 80 12.166 -6.302 14.322 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.168 -7.523 13.627 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.209 -5.383 14.094 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.198 -7.829 12.715 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.245 -5.674 13.178 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.239 -6.901 12.487 1.00 25.00 C ATOM 0 H PHE A 80 11.204 -3.746 14.287 1.00 25.00 H new ATOM 0 HA PHE A 80 9.432 -5.955 13.896 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.470 -5.344 16.084 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.752 -6.914 15.782 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.372 -8.234 13.793 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.217 -4.443 14.626 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.192 -8.773 12.190 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.037 -4.959 13.009 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.027 -7.132 11.785 1.00 25.00 H new ATOM 1358 N SER A 81 8.905 -3.930 16.409 1.00 25.00 N ATOM 1359 CA SER A 81 7.954 -3.573 17.464 1.00 25.00 C ATOM 1360 C SER A 81 6.600 -3.279 16.830 1.00 25.00 C ATOM 1361 O SER A 81 5.568 -3.791 17.257 1.00 25.00 O ATOM 1362 CB SER A 81 8.450 -2.348 18.237 1.00 25.00 C ATOM 1363 OG SER A 81 7.571 -2.032 19.299 1.00 25.00 O ATOM 0 H SER A 81 9.629 -3.232 16.240 1.00 25.00 H new ATOM 0 HA SER A 81 7.860 -4.403 18.164 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.448 -2.541 18.631 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.533 -1.496 17.562 1.00 25.00 H new ATOM 0 HG SER A 81 7.908 -1.247 19.780 1.00 25.00 H new ATOM 1369 N TYR A 82 6.623 -2.507 15.754 1.00 25.00 N ATOM 1370 CA TYR A 82 5.413 -2.199 15.010 1.00 25.00 C ATOM 1371 C TYR A 82 4.827 -3.468 14.424 1.00 25.00 C ATOM 1372 O TYR A 82 3.636 -3.706 14.521 1.00 25.00 O ATOM 1373 CB TYR A 82 5.719 -1.210 13.891 1.00 25.00 C ATOM 1374 CG TYR A 82 5.444 0.213 14.295 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.161 0.758 14.115 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.446 1.020 14.883 1.00 25.00 C ATOM 1377 CE1 TYR A 82 3.876 2.096 14.501 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.165 2.359 15.270 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.880 2.884 15.068 1.00 25.00 C ATOM 1380 OH TYR A 82 4.594 4.180 15.412 1.00 25.00 O ATOM 0 H TYR A 82 7.470 -2.082 15.376 1.00 25.00 H new ATOM 0 HA TYR A 82 4.690 -1.751 15.691 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.765 -1.307 13.600 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.120 -1.459 13.015 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.381 0.152 13.678 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.435 0.615 15.040 1.00 25.00 H new ATOM 0 HE1 TYR A 82 2.886 2.502 14.356 1.00 25.00 H new ATOM 0 HE2 TYR A 82 6.937 2.968 15.717 1.00 25.00 H new ATOM 0 HH TYR A 82 4.944 4.786 14.726 1.00 25.00 H new ATOM 1390 N TRP A 83 5.675 -4.310 13.858 1.00 25.00 N ATOM 1391 CA TRP A 83 5.230 -5.576 13.292 1.00 25.00 C ATOM 1392 C TRP A 83 4.467 -6.405 14.321 1.00 25.00 C ATOM 1393 O TRP A 83 3.457 -7.035 14.002 1.00 25.00 O ATOM 1394 CB TRP A 83 6.445 -6.377 12.807 1.00 25.00 C ATOM 1395 CG TRP A 83 6.087 -7.712 12.237 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.748 -7.997 10.958 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.025 -8.976 12.938 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.467 -9.320 10.797 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.627 -9.959 11.990 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.263 -9.376 14.269 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.458 -11.314 12.332 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.110 -10.742 14.615 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.707 -11.697 13.638 1.00 25.00 C ATOM 0 H TRP A 83 6.678 -4.141 13.777 1.00 25.00 H new ATOM 0 HA TRP A 83 4.563 -5.357 12.458 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.975 -5.798 12.051 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.134 -6.519 13.640 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.706 -7.266 10.164 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.182 -9.762 9.923 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.558 -8.652 15.014 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.142 -12.036 11.594 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.301 -11.062 15.629 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.594 -12.733 13.920 1.00 25.00 H new ATOM 1414 N ASN A 84 4.942 -6.387 15.557 1.00 25.00 N ATOM 1415 CA ASN A 84 4.329 -7.163 16.634 1.00 25.00 C ATOM 1416 C ASN A 84 2.957 -6.613 17.011 1.00 25.00 C ATOM 1417 O ASN A 84 2.044 -7.376 17.317 1.00 25.00 O ATOM 1418 CB ASN A 84 5.239 -7.180 17.862 1.00 25.00 C ATOM 1419 CG ASN A 84 6.099 -8.417 17.921 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.624 -9.500 18.225 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.356 -8.272 17.611 1.00 25.00 N ATOM 0 H ASN A 84 5.755 -5.841 15.844 1.00 25.00 H new ATOM 0 HA ASN A 84 4.196 -8.182 16.271 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.878 -6.297 17.850 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.630 -7.121 18.764 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.979 -9.079 17.617 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.717 -7.351 17.362 1.00 25.00 H new ATOM 1428 N LEU A 85 2.804 -5.297 16.941 1.00 25.00 N ATOM 1429 CA LEU A 85 1.525 -4.644 17.237 1.00 25.00 C ATOM 1430 C LEU A 85 0.458 -5.075 16.228 1.00 25.00 C ATOM 1431 O LEU A 85 -0.684 -5.306 16.584 1.00 25.00 O ATOM 1432 CB LEU A 85 1.708 -3.118 17.221 1.00 25.00 C ATOM 1433 CG LEU A 85 0.514 -2.258 17.677 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.041 -0.979 18.328 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.409 -1.878 16.506 1.00 25.00 C ATOM 0 H LEU A 85 3.551 -4.653 16.681 1.00 25.00 H new ATOM 0 HA LEU A 85 1.190 -4.947 18.229 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.561 -2.874 17.855 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.970 -2.820 16.206 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.069 -2.847 18.385 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.202 -0.364 18.654 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.658 -1.236 19.189 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.639 -0.423 17.606 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.236 -1.272 16.876 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.156 -1.309 15.768 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.801 -2.784 16.043 1.00 25.00 H new ATOM 1447 N ILE A 86 0.824 -5.222 14.967 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.146 -5.697 13.982 1.00 25.00 C ATOM 1449 C ILE A 86 -0.298 -7.213 14.128 1.00 25.00 C ATOM 1450 O ILE A 86 -1.379 -7.759 13.917 1.00 25.00 O ATOM 1451 CB ILE A 86 0.241 -5.321 12.520 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.119 -3.799 12.290 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.710 -6.000 11.523 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.334 -2.982 12.692 1.00 25.00 C ATOM 0 H ILE A 86 1.757 -5.027 14.603 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.096 -5.201 14.180 1.00 25.00 H new ATOM 0 HB ILE A 86 1.269 -5.649 12.368 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.083 -3.623 11.233 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.745 -3.432 12.845 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.427 -5.727 10.506 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.647 -7.082 11.639 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.732 -5.673 11.715 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.146 -1.927 12.490 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.529 -3.119 13.756 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.200 -3.312 12.119 1.00 25.00 H new ATOM 1466 N LYS A 87 0.759 -7.901 14.538 1.00 25.00 N ATOM 1467 CA LYS A 87 0.676 -9.350 14.718 1.00 25.00 C ATOM 1468 C LYS A 87 -0.405 -9.693 15.736 1.00 25.00 C ATOM 1469 O LYS A 87 -1.192 -10.586 15.483 1.00 25.00 O ATOM 1470 CB LYS A 87 2.040 -9.950 15.116 1.00 25.00 C ATOM 1471 CG LYS A 87 1.997 -10.889 16.324 1.00 25.00 C ATOM 1472 CD LYS A 87 3.324 -11.541 16.592 1.00 25.00 C ATOM 1473 CE LYS A 87 3.256 -12.360 17.887 1.00 25.00 C ATOM 1474 NZ LYS A 87 2.159 -13.410 17.871 1.00 25.00 N ATOM 0 H LYS A 87 1.669 -7.492 14.750 1.00 25.00 H new ATOM 0 HA LYS A 87 0.400 -9.798 13.763 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.445 -10.495 14.263 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.731 -9.135 15.331 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.687 -10.328 17.206 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.245 -11.659 16.155 1.00 25.00 H new ATOM 0 HD2 LYS A 87 3.596 -12.187 15.757 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.102 -10.781 16.673 1.00 25.00 H new ATOM 0 HE2 LYS A 87 4.216 -12.849 18.051 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.093 -11.686 18.728 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 2.268 -14.039 18.692 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 1.231 -12.943 17.914 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 2.226 -13.968 16.996 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.476 -8.987 16.856 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.496 -9.298 17.863 1.00 25.00 C ATOM 1490 C GLU A 88 -2.889 -8.953 17.334 1.00 25.00 C ATOM 1491 O GLU A 88 -3.861 -9.624 17.663 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.221 -8.579 19.196 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.121 -7.066 19.081 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.945 -6.360 20.412 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.172 -6.973 21.471 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.694 -5.133 20.390 1.00 25.00 O ATOM 0 H GLU A 88 0.142 -8.211 17.093 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.453 -10.369 18.060 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.016 -8.827 19.900 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.291 -8.962 19.617 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.281 -6.815 18.434 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.021 -6.688 18.596 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.978 -7.950 16.471 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.261 -7.569 15.886 1.00 25.00 C ATOM 1505 C LEU A 89 -4.786 -8.647 14.944 1.00 25.00 C ATOM 1506 O LEU A 89 -5.976 -8.926 14.934 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.156 -6.225 15.157 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.018 -4.995 16.074 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.796 -3.746 15.218 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.256 -4.810 16.972 1.00 25.00 C ATOM 0 H LEU A 89 -2.185 -7.388 16.161 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.973 -7.462 16.705 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.297 -6.258 14.487 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.041 -6.097 14.534 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.161 -5.153 16.729 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.698 -2.874 15.865 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.886 -3.865 14.630 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.645 -3.608 14.549 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.119 -3.932 17.604 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.140 -4.675 16.349 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.385 -5.692 17.600 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.910 -9.279 14.174 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.350 -10.357 13.282 1.00 25.00 C ATOM 1524 C ILE A 90 -4.572 -11.638 14.091 1.00 25.00 C ATOM 1525 O ILE A 90 -5.543 -12.362 13.874 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.325 -10.676 12.151 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.991 -9.419 11.322 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.924 -11.753 11.208 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.736 -9.581 10.425 1.00 25.00 C ATOM 0 H ILE A 90 -2.911 -9.074 14.144 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.272 -10.010 12.815 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.408 -11.037 12.617 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.846 -9.171 10.694 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.838 -8.578 11.999 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.211 -11.980 10.415 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.134 -12.659 11.777 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.848 -11.378 10.768 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.563 -8.658 9.872 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.869 -9.799 11.048 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.893 -10.400 9.724 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.667 -11.914 15.023 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.727 -13.130 15.845 1.00 25.00 C ATOM 1543 C ASP A 91 -5.040 -13.166 16.612 1.00 25.00 C ATOM 1544 O ASP A 91 -5.706 -14.196 16.686 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.540 -13.146 16.819 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.357 -14.480 17.518 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -3.098 -14.780 18.478 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -1.367 -15.173 17.177 1.00 25.00 O ATOM 0 H ASP A 91 -2.873 -11.309 15.234 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.672 -14.009 15.203 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.628 -12.901 16.274 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.683 -12.367 17.568 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.449 -12.009 17.116 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.699 -11.891 17.854 1.00 25.00 C ATOM 1555 C LYS A 92 -7.736 -11.077 17.114 1.00 25.00 C ATOM 1556 O LYS A 92 -8.555 -10.392 17.725 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.426 -11.348 19.265 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.589 -12.312 20.133 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.305 -13.663 20.275 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.575 -14.645 21.141 1.00 25.00 C ATOM 1561 NZ LYS A 92 -6.288 -15.962 20.993 1.00 25.00 N ATOM 0 H LYS A 92 -4.930 -11.135 17.026 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.129 -12.888 17.950 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.905 -10.394 19.186 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.376 -11.152 19.763 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.608 -12.459 19.682 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.425 -11.875 21.118 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.299 -13.495 20.690 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.442 -14.097 19.285 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.533 -14.732 20.834 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.575 -14.319 22.181 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -6.310 -16.450 21.911 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -7.261 -15.795 20.666 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.786 -16.552 20.299 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.791 -11.257 15.799 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.857 -10.654 14.983 1.00 25.00 C ATOM 1577 C LYS A 93 -10.211 -11.244 15.389 1.00 25.00 C ATOM 1578 O LYS A 93 -11.253 -10.671 15.128 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.599 -10.864 13.486 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.693 -12.315 13.016 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.248 -12.433 11.562 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.226 -13.886 11.098 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.604 -14.490 11.076 1.00 25.00 N ATOM 0 H LYS A 93 -7.117 -11.811 15.271 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.867 -9.579 15.164 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.315 -10.267 12.921 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.606 -10.483 13.246 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.070 -12.949 13.646 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.718 -12.672 13.119 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.922 -11.858 10.927 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.255 -11.999 11.448 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.789 -13.942 10.101 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.585 -14.469 11.760 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.556 -15.449 10.676 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.978 -14.538 12.045 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.232 -13.902 10.492 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.161 -12.385 16.064 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.348 -13.075 16.576 1.00 25.00 C ATOM 1599 C GLU A 94 -12.135 -12.244 17.598 1.00 25.00 C ATOM 1600 O GLU A 94 -13.352 -12.348 17.668 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.922 -14.406 17.226 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.685 -14.289 18.142 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.341 -15.586 18.864 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.358 -16.653 18.225 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.960 -15.517 20.058 1.00 25.00 O ATOM 0 H GLU A 94 -9.287 -12.867 16.276 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.008 -13.246 15.726 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.756 -14.798 17.808 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.712 -15.132 16.440 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.828 -13.976 17.545 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.862 -13.507 18.880 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.445 -11.417 18.374 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.089 -10.597 19.409 1.00 25.00 C ATOM 1614 C VAL A 95 -11.891 -9.117 19.106 1.00 25.00 C ATOM 1615 O VAL A 95 -12.243 -8.246 19.894 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.538 -10.939 20.828 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.906 -12.382 21.209 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.010 -10.764 20.889 1.00 25.00 C ATOM 0 H VAL A 95 -10.435 -11.292 18.310 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.156 -10.822 19.402 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.994 -10.248 21.537 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.515 -12.607 22.201 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.990 -12.492 21.212 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.474 -13.071 20.484 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.655 -11.010 21.890 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.539 -11.428 20.164 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.753 -9.731 20.656 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.347 -8.845 17.931 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.133 -7.478 17.461 1.00 25.00 C ATOM 1630 C ASN A 96 -11.862 -7.335 16.118 1.00 25.00 C ATOM 1631 O ASN A 96 -11.254 -7.438 15.049 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.635 -7.192 17.314 1.00 25.00 C ATOM 1633 CG ASN A 96 -8.973 -6.888 18.628 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.094 -5.792 19.154 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.255 -7.838 19.156 1.00 25.00 N ATOM 0 H ASN A 96 -11.040 -9.562 17.274 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.526 -6.756 18.177 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.148 -8.053 16.857 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.494 -6.349 16.637 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.770 -7.680 20.039 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.178 -8.740 18.686 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.193 -7.139 16.154 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.920 -7.142 14.878 1.00 25.00 C ATOM 1644 C PRO A 97 -13.645 -5.936 13.986 1.00 25.00 C ATOM 1645 O PRO A 97 -13.848 -5.996 12.775 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.385 -7.175 15.323 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.382 -6.482 16.634 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.115 -6.963 17.293 1.00 25.00 C ATOM 0 HA PRO A 97 -13.614 -7.981 14.253 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.031 -6.668 14.606 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.751 -8.198 15.414 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.384 -5.399 16.514 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.262 -6.739 17.224 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.734 -6.238 18.012 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.271 -7.896 17.834 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.153 -4.845 14.558 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.846 -3.672 13.755 1.00 25.00 C ATOM 1658 C GLN A 98 -11.638 -3.979 12.871 1.00 25.00 C ATOM 1659 O GLN A 98 -11.659 -3.680 11.692 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.671 -2.391 14.612 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.364 -2.227 15.409 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.204 -3.238 16.529 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -10.958 -4.399 16.282 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -11.350 -2.805 17.746 1.00 25.00 N ATOM 0 H GLN A 98 -12.961 -4.749 15.555 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.695 -3.449 13.109 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.768 -1.531 13.950 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.500 -2.346 15.318 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.519 -2.316 14.727 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.329 -1.222 15.830 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -11.557 -1.821 17.916 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -11.258 -3.450 18.531 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.615 -4.644 13.390 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.468 -4.963 12.545 1.00 25.00 C ATOM 1675 C VAL A 99 -9.787 -6.150 11.654 1.00 25.00 C ATOM 1676 O VAL A 99 -9.237 -6.263 10.581 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.143 -5.173 13.328 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -7.920 -4.002 14.290 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.127 -6.499 14.069 1.00 25.00 C ATOM 0 H VAL A 99 -10.552 -4.964 14.356 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.289 -4.086 11.923 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.324 -5.204 12.609 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -6.990 -4.153 14.837 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -7.861 -3.072 13.724 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.750 -3.946 14.994 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.183 -6.606 14.603 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -8.952 -6.528 14.781 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.235 -7.316 13.355 1.00 25.00 H new ATOM 1689 N MET A 100 -10.715 -7.005 12.063 1.00 25.00 N ATOM 1690 CA MET A 100 -11.143 -8.121 11.217 1.00 25.00 C ATOM 1691 C MET A 100 -11.742 -7.585 9.911 1.00 25.00 C ATOM 1692 O MET A 100 -11.498 -8.131 8.836 1.00 25.00 O ATOM 1693 CB MET A 100 -12.154 -8.994 11.966 1.00 25.00 C ATOM 1694 CG MET A 100 -12.646 -10.200 11.183 1.00 25.00 C ATOM 1695 SD MET A 100 -14.183 -9.825 10.307 1.00 25.00 S ATOM 1696 CE MET A 100 -13.903 -10.615 8.715 1.00 25.00 C ATOM 0 H MET A 100 -11.185 -6.952 12.967 1.00 25.00 H new ATOM 0 HA MET A 100 -10.279 -8.738 10.972 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.699 -9.340 12.894 1.00 25.00 H new ATOM 0 HB3 MET A 100 -13.012 -8.380 12.241 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.883 -10.510 10.469 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.806 -11.038 11.862 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.772 -10.462 8.075 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.023 -10.179 8.242 1.00 25.00 H new ATOM 0 HE3 MET A 100 -13.744 -11.683 8.862 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.455 -6.471 9.987 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.981 -5.834 8.784 1.00 25.00 C ATOM 1708 C ALA A 101 -11.833 -5.334 7.890 1.00 25.00 C ATOM 1709 O ALA A 101 -11.937 -5.344 6.665 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.904 -4.674 9.170 1.00 25.00 C ATOM 0 H ALA A 101 -12.682 -5.992 10.858 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.555 -6.569 8.220 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.293 -4.203 8.267 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.733 -5.052 9.768 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.344 -3.940 9.749 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.732 -4.917 8.501 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.576 -4.434 7.757 1.00 25.00 C ATOM 1718 C ALA A 102 -8.823 -5.602 7.117 1.00 25.00 C ATOM 1719 O ALA A 102 -8.231 -5.435 6.067 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.647 -3.634 8.672 1.00 25.00 C ATOM 0 H ALA A 102 -10.615 -4.904 9.514 1.00 25.00 H new ATOM 0 HA ALA A 102 -9.928 -3.776 6.963 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.789 -3.281 8.100 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.187 -2.780 9.081 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.303 -4.270 9.487 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.874 -6.780 7.726 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.242 -7.980 7.153 1.00 25.00 C ATOM 1728 C VAL A 103 -8.877 -8.227 5.789 1.00 25.00 C ATOM 1729 O VAL A 103 -8.181 -8.388 4.788 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.454 -9.234 8.084 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.966 -10.534 7.441 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.733 -9.033 9.418 1.00 25.00 C ATOM 0 H VAL A 103 -9.345 -6.939 8.617 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.167 -7.824 7.060 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.528 -9.324 8.245 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -8.136 -11.365 8.126 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.513 -10.709 6.515 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.901 -10.455 7.224 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.888 -9.907 10.051 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.666 -8.900 9.239 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.130 -8.149 9.917 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.203 -8.196 5.749 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.926 -8.415 4.503 1.00 25.00 C ATOM 1744 C ALA A 104 -10.670 -7.275 3.511 1.00 25.00 C ATOM 1745 O ALA A 104 -10.402 -7.515 2.340 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.427 -8.552 4.793 1.00 25.00 C ATOM 0 H ALA A 104 -10.797 -8.022 6.560 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.565 -9.338 4.048 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.965 -8.716 3.859 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.593 -9.398 5.460 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.791 -7.640 5.266 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.740 -6.037 3.983 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.539 -4.891 3.102 1.00 25.00 C ATOM 1754 C GLN A 105 -9.140 -4.843 2.509 1.00 25.00 C ATOM 1755 O GLN A 105 -8.975 -4.466 1.357 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.789 -3.582 3.842 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.257 -3.216 3.973 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.451 -1.723 4.139 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.990 -0.935 3.326 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.139 -1.329 5.178 1.00 25.00 N ATOM 0 H GLN A 105 -10.932 -5.801 4.957 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.257 -5.013 2.291 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.352 -3.651 4.838 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.270 -2.777 3.321 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.797 -3.557 3.090 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.686 -3.736 4.829 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.508 -2.016 5.835 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.307 -0.335 5.331 1.00 25.00 H new ATOM 1769 N THR A 106 -8.130 -5.209 3.280 1.00 25.00 N ATOM 1770 CA THR A 106 -6.762 -5.175 2.778 1.00 25.00 C ATOM 1771 C THR A 106 -6.642 -6.174 1.637 1.00 25.00 C ATOM 1772 O THR A 106 -6.078 -5.852 0.606 1.00 25.00 O ATOM 1773 CB THR A 106 -5.724 -5.500 3.874 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.921 -4.638 4.993 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.307 -5.279 3.380 1.00 25.00 C ATOM 0 H THR A 106 -8.226 -5.529 4.244 1.00 25.00 H new ATOM 0 HA THR A 106 -6.549 -4.163 2.432 1.00 25.00 H new ATOM 0 HB THR A 106 -5.859 -6.547 4.147 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.615 -5.011 5.575 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.603 -5.517 4.177 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.116 -5.924 2.522 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.183 -4.237 3.085 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.221 -7.360 1.783 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.212 -8.330 0.685 1.00 25.00 C ATOM 1785 C GLU A 107 -7.924 -7.800 -0.556 1.00 25.00 C ATOM 1786 O GLU A 107 -7.433 -7.974 -1.664 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.885 -9.639 1.085 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.094 -10.462 2.063 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.636 -11.876 2.212 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.477 -12.310 1.384 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.169 -12.580 3.139 1.00 25.00 O ATOM 0 H GLU A 107 -7.694 -7.673 2.631 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.160 -8.504 0.457 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.860 -9.416 1.519 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.063 -10.232 0.188 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.055 -10.508 1.737 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.101 -9.970 3.036 1.00 25.00 H new ATOM 1798 N GLU A 108 -9.068 -7.150 -0.382 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.811 -6.597 -1.523 1.00 25.00 C ATOM 1800 C GLU A 108 -8.949 -5.578 -2.262 1.00 25.00 C ATOM 1801 O GLU A 108 -8.863 -5.588 -3.491 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.090 -5.890 -1.056 1.00 25.00 C ATOM 1803 CG GLU A 108 -12.187 -6.807 -0.533 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.370 -6.010 0.013 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.156 -5.170 0.917 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.496 -6.166 -0.490 1.00 25.00 O ATOM 0 H GLU A 108 -9.504 -6.990 0.526 1.00 25.00 H new ATOM 0 HA GLU A 108 -10.072 -7.426 -2.180 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.827 -5.181 -0.271 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.490 -5.311 -1.888 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.528 -7.463 -1.335 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.784 -7.447 0.252 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.303 -4.702 -1.506 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.469 -3.659 -2.091 1.00 25.00 C ATOM 1815 C ILE A 109 -6.258 -4.291 -2.760 1.00 25.00 C ATOM 1816 O ILE A 109 -5.927 -3.919 -3.865 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.029 -2.607 -1.025 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.278 -1.866 -0.499 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.017 -1.572 -1.635 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.097 -1.188 0.857 1.00 25.00 C ATOM 0 H ILE A 109 -8.339 -4.692 -0.487 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.057 -3.128 -2.840 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.530 -3.127 -0.207 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.571 -1.112 -1.230 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.101 -2.577 -0.427 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.728 -0.852 -0.870 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.131 -2.097 -1.993 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.489 -1.049 -2.467 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.026 -0.694 1.144 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.837 -1.936 1.606 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.299 -0.449 0.791 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.628 -5.270 -2.124 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.444 -5.928 -2.692 1.00 25.00 C ATOM 1834 C LEU A 110 -4.759 -6.622 -4.007 1.00 25.00 C ATOM 1835 O LEU A 110 -3.991 -6.537 -4.957 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.891 -6.965 -1.706 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.709 -6.544 -0.814 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.835 -5.141 -0.202 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.560 -7.583 0.302 1.00 25.00 C ATOM 0 H LEU A 110 -5.912 -5.631 -1.213 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.703 -5.151 -2.878 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.708 -7.278 -1.055 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.585 -7.841 -2.277 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.828 -6.499 -1.455 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.958 -4.931 0.410 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.907 -4.401 -0.999 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.730 -5.094 0.418 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.727 -7.306 0.948 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.478 -7.621 0.889 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.369 -8.563 -0.136 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.908 -7.276 -4.081 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.315 -7.967 -5.308 1.00 25.00 C ATOM 1853 C LYS A 111 -6.566 -6.953 -6.422 1.00 25.00 C ATOM 1854 O LYS A 111 -6.266 -7.203 -7.586 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.538 -8.825 -5.034 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.168 -10.031 -4.178 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.364 -10.592 -3.484 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.922 -11.572 -2.394 1.00 25.00 C ATOM 1859 NZ LYS A 111 -9.030 -12.032 -1.481 1.00 25.00 N ATOM 0 H LYS A 111 -6.576 -7.346 -3.314 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.514 -8.627 -5.641 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.298 -8.232 -4.526 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.972 -9.160 -5.976 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.715 -10.799 -4.805 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.420 -9.740 -3.440 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.951 -9.786 -3.044 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -9.007 -11.100 -4.203 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -7.473 -12.445 -2.868 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.145 -11.101 -1.793 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.660 -12.144 -0.515 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -9.794 -11.327 -1.480 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -9.401 -12.944 -1.817 1.00 25.00 H new ATOM 1873 N SER A 112 -7.050 -5.780 -6.044 1.00 25.00 N ATOM 1874 CA SER A 112 -7.282 -4.688 -6.992 1.00 25.00 C ATOM 1875 C SER A 112 -5.997 -3.935 -7.337 1.00 25.00 C ATOM 1876 O SER A 112 -5.948 -3.179 -8.303 1.00 25.00 O ATOM 1877 CB SER A 112 -8.265 -3.696 -6.380 1.00 25.00 C ATOM 1878 OG SER A 112 -8.732 -2.773 -7.349 1.00 25.00 O ATOM 0 H SER A 112 -7.293 -5.554 -5.080 1.00 25.00 H new ATOM 0 HA SER A 112 -7.676 -5.130 -7.907 1.00 25.00 H new ATOM 0 HB2 SER A 112 -9.110 -4.235 -5.951 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.782 -3.158 -5.564 1.00 25.00 H new ATOM 0 HG SER A 112 -7.981 -2.468 -7.899 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.973 -4.115 -6.517 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.708 -3.386 -6.659 1.00 25.00 C ATOM 1886 C ASN A 113 -2.757 -4.089 -7.618 1.00 25.00 C ATOM 1887 O ASN A 113 -1.634 -3.659 -7.807 1.00 25.00 O ATOM 1888 CB ASN A 113 -3.022 -3.248 -5.285 1.00 25.00 C ATOM 1889 CG ASN A 113 -2.215 -1.973 -5.144 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -2.789 -0.868 -5.540 1.00 25.00 O flip ATOM 1891 ND2 ASN A 113 -1.119 -1.982 -4.597 1.00 25.00 N flip ATOM 0 H ASN A 113 -4.989 -4.768 -5.733 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.943 -2.402 -7.064 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -3.781 -3.278 -4.503 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -2.367 -4.104 -5.126 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -0.703 -2.866 -4.302 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -0.622 -1.106 -4.436 1.00 25.00 H new ATOM 1898 N SER A 114 -3.208 -5.188 -8.206 1.00 25.00 N ATOM 1899 CA SER A 114 -2.348 -6.069 -9.006 1.00 25.00 C ATOM 1900 C SER A 114 -1.681 -5.508 -10.254 1.00 25.00 C ATOM 1901 O SER A 114 -0.833 -6.153 -10.862 1.00 25.00 O ATOM 1902 CB SER A 114 -3.147 -7.293 -9.421 1.00 25.00 C ATOM 1903 OG SER A 114 -3.656 -7.980 -8.290 1.00 25.00 O ATOM 0 H SER A 114 -4.177 -5.500 -8.146 1.00 25.00 H new ATOM 0 HA SER A 114 -1.517 -6.270 -8.330 1.00 25.00 H new ATOM 0 HB2 SER A 114 -3.971 -6.991 -10.068 1.00 25.00 H new ATOM 0 HB3 SER A 114 -2.515 -7.963 -10.003 1.00 25.00 H new ATOM 0 HG SER A 114 -4.563 -7.664 -8.096 1.00 25.00 H new ATOM 1909 N GLN A 115 -2.067 -4.310 -10.625 1.00 25.00 N ATOM 1910 CA GLN A 115 -1.477 -3.622 -11.779 1.00 25.00 C ATOM 1911 C GLN A 115 -1.296 -2.138 -11.460 1.00 25.00 C ATOM 1912 O GLN A 115 -0.926 -1.336 -12.312 1.00 25.00 O ATOM 1913 CB GLN A 115 -2.383 -3.808 -13.004 1.00 25.00 C ATOM 1914 CG GLN A 115 -1.654 -3.685 -14.341 1.00 25.00 C ATOM 1915 CD GLN A 115 -2.558 -3.975 -15.516 1.00 25.00 C ATOM 1916 OE1 GLN A 115 -3.473 -3.226 -15.812 1.00 25.00 O ATOM 1917 NE2 GLN A 115 -2.308 -5.068 -16.189 1.00 25.00 N ATOM 0 H GLN A 115 -2.793 -3.777 -10.147 1.00 25.00 H new ATOM 0 HA GLN A 115 -0.498 -4.048 -12.000 1.00 25.00 H new ATOM 0 HB2 GLN A 115 -2.855 -4.789 -12.948 1.00 25.00 H new ATOM 0 HB3 GLN A 115 -3.182 -3.067 -12.968 1.00 25.00 H new ATOM 0 HG2 GLN A 115 -1.246 -2.679 -14.439 1.00 25.00 H new ATOM 0 HG3 GLN A 115 -0.809 -4.374 -14.357 1.00 25.00 H new ATOM 0 HE21 GLN A 115 -1.533 -5.671 -15.912 1.00 25.00 H new ATOM 0 HE22 GLN A 115 -2.888 -5.317 -16.991 1.00 25.00 H new ATOM 1926 N THR A 116 -1.619 -1.777 -10.229 1.00 25.00 N ATOM 1927 CA THR A 116 -1.677 -0.377 -9.810 1.00 25.00 C ATOM 1928 C THR A 116 -0.878 -0.164 -8.552 1.00 25.00 C ATOM 1929 O THR A 116 -1.039 0.799 -7.818 1.00 25.00 O ATOM 1930 CB THR A 116 -3.110 0.007 -9.575 1.00 25.00 C ATOM 1931 OG1 THR A 116 -3.742 -0.989 -8.772 1.00 25.00 O ATOM 1932 CG2 THR A 116 -3.833 0.056 -10.878 1.00 25.00 C ATOM 0 H THR A 116 -1.849 -2.441 -9.490 1.00 25.00 H new ATOM 0 HA THR A 116 -1.250 0.247 -10.595 1.00 25.00 H new ATOM 0 HB THR A 116 -3.138 0.979 -9.082 1.00 25.00 H new ATOM 0 HG1 THR A 116 -4.677 -0.739 -8.616 1.00 25.00 H new ATOM 0 HG21 THR A 116 -4.873 0.335 -10.707 1.00 25.00 H new ATOM 0 HG22 THR A 116 -3.362 0.793 -11.528 1.00 25.00 H new ATOM 0 HG23 THR A 116 -3.794 -0.924 -11.353 1.00 25.00 H new ATOM 1940 N ASP A 117 0.034 -1.086 -8.355 1.00 25.00 N ATOM 1941 CA ASP A 117 0.956 -1.060 -7.217 1.00 25.00 C ATOM 1942 C ASP A 117 2.135 -0.112 -7.473 1.00 25.00 C ATOM 1943 O ASP A 117 3.072 -0.010 -6.659 1.00 25.00 O ATOM 1944 CB ASP A 117 1.486 -2.470 -6.936 1.00 25.00 C ATOM 1945 CG ASP A 117 2.666 -2.840 -7.817 1.00 25.00 C ATOM 1946 OD1 ASP A 117 2.525 -2.832 -9.055 1.00 25.00 O ATOM 1947 OD2 ASP A 117 3.753 -3.129 -7.254 1.00 25.00 O ATOM 0 H ASP A 117 0.168 -1.884 -8.976 1.00 25.00 H new ATOM 0 HA ASP A 117 0.404 -0.695 -6.351 1.00 25.00 H new ATOM 0 HB2 ASP A 117 1.783 -2.540 -5.890 1.00 25.00 H new ATOM 0 HB3 ASP A 117 0.684 -3.192 -7.088 1.00 25.00 H new ATOM 1952 N LEU A 118 2.090 0.558 -8.617 1.00 25.00 N ATOM 1953 CA LEU A 118 3.158 1.446 -9.065 1.00 25.00 C ATOM 1954 C LEU A 118 2.783 2.912 -8.887 1.00 25.00 C ATOM 1955 O LEU A 118 1.679 3.323 -9.206 1.00 25.00 O ATOM 1956 CB LEU A 118 3.434 1.213 -10.556 1.00 25.00 C ATOM 1957 CG LEU A 118 3.764 -0.220 -11.005 1.00 25.00 C ATOM 1958 CD1 LEU A 118 3.868 -0.259 -12.530 1.00 25.00 C ATOM 1959 CD2 LEU A 118 5.069 -0.724 -10.381 1.00 25.00 C ATOM 0 H LEU A 118 1.305 0.501 -9.266 1.00 25.00 H new ATOM 0 HA LEU A 118 4.038 1.224 -8.461 1.00 25.00 H new ATOM 0 HB2 LEU A 118 2.560 1.547 -11.115 1.00 25.00 H new ATOM 0 HB3 LEU A 118 4.264 1.856 -10.848 1.00 25.00 H new ATOM 0 HG LEU A 118 2.962 -0.876 -10.666 1.00 25.00 H new ATOM 0 HD11 LEU A 118 4.102 -1.273 -12.853 1.00 25.00 H new ATOM 0 HD12 LEU A 118 2.919 0.051 -12.967 1.00 25.00 H new ATOM 0 HD13 LEU A 118 4.657 0.417 -12.858 1.00 25.00 H new ATOM 0 HD21 LEU A 118 5.267 -1.740 -10.723 1.00 25.00 H new ATOM 0 HD22 LEU A 118 5.891 -0.074 -10.681 1.00 25.00 H new ATOM 0 HD23 LEU A 118 4.979 -0.718 -9.295 1.00 25.00 H new ATOM 1971 N GLU A 119 3.752 3.700 -8.445 1.00 25.00 N ATOM 1972 CA GLU A 119 3.590 5.158 -8.318 1.00 25.00 C ATOM 1973 C GLU A 119 4.972 5.817 -8.394 1.00 25.00 C ATOM 1974 O GLU A 119 5.200 6.732 -9.178 1.00 25.00 O ATOM 1975 CB GLU A 119 2.860 5.504 -7.000 1.00 25.00 C ATOM 1976 CG GLU A 119 3.247 6.836 -6.322 1.00 25.00 C ATOM 1977 CD GLU A 119 3.132 8.060 -7.223 1.00 25.00 C ATOM 1978 OE1 GLU A 119 2.271 8.109 -8.115 1.00 25.00 O ATOM 1979 OE2 GLU A 119 3.977 8.970 -7.047 1.00 25.00 O ATOM 0 H GLU A 119 4.671 3.359 -8.163 1.00 25.00 H new ATOM 0 HA GLU A 119 2.976 5.541 -9.133 1.00 25.00 H new ATOM 0 HB2 GLU A 119 1.789 5.522 -7.199 1.00 25.00 H new ATOM 0 HB3 GLU A 119 3.038 4.696 -6.290 1.00 25.00 H new ATOM 0 HG2 GLU A 119 2.612 6.983 -5.448 1.00 25.00 H new ATOM 0 HG3 GLU A 119 4.273 6.761 -5.961 1.00 25.00 H new ATOM 1986 N HIS A 120 5.927 5.310 -7.623 1.00 25.00 N ATOM 1987 CA HIS A 120 7.286 5.846 -7.667 1.00 25.00 C ATOM 1988 C HIS A 120 8.328 4.760 -7.502 1.00 25.00 C ATOM 1989 O HIS A 120 8.086 3.730 -6.881 1.00 25.00 O ATOM 1990 CB HIS A 120 7.472 6.929 -6.598 1.00 25.00 C ATOM 1991 CG HIS A 120 7.656 8.302 -7.171 1.00 25.00 C ATOM 1992 ND1 HIS A 120 6.603 9.084 -7.650 1.00 25.00 N ATOM 1993 CD2 HIS A 120 8.765 9.066 -7.369 1.00 25.00 C ATOM 1994 CE1 HIS A 120 7.085 10.231 -8.100 1.00 25.00 C ATOM 1995 NE2 HIS A 120 8.381 10.243 -7.940 1.00 25.00 N ATOM 0 H HIS A 120 5.791 4.540 -6.968 1.00 25.00 H new ATOM 0 HA HIS A 120 7.428 6.291 -8.652 1.00 25.00 H new ATOM 0 HB2 HIS A 120 6.604 6.931 -5.938 1.00 25.00 H new ATOM 0 HB3 HIS A 120 8.338 6.680 -5.985 1.00 25.00 H new ATOM 0 HD1 HIS A 120 5.619 8.814 -7.653 1.00 25.00 H new ATOM 0 HD2 HIS A 120 9.777 8.787 -7.117 1.00 25.00 H new ATOM 0 HE1 HIS A 120 6.500 11.030 -8.531 1.00 25.00 H new ATOM 2003 N HIS A 121 9.493 5.003 -8.083 1.00 25.00 N ATOM 2004 CA HIS A 121 10.617 4.064 -8.053 1.00 25.00 C ATOM 2005 C HIS A 121 11.298 4.073 -6.671 1.00 25.00 C ATOM 2006 O HIS A 121 12.326 4.728 -6.496 1.00 25.00 O ATOM 2007 CB HIS A 121 11.599 4.462 -9.167 1.00 25.00 C ATOM 2008 CG HIS A 121 12.655 3.438 -9.450 1.00 25.00 C ATOM 2009 ND1 HIS A 121 13.873 3.376 -8.767 1.00 25.00 N ATOM 2010 CD2 HIS A 121 12.720 2.431 -10.362 1.00 25.00 C ATOM 2011 CE1 HIS A 121 14.596 2.383 -9.273 1.00 25.00 C ATOM 2012 NE2 HIS A 121 13.918 1.802 -10.229 1.00 25.00 N ATOM 0 H HIS A 121 9.692 5.863 -8.594 1.00 25.00 H new ATOM 0 HA HIS A 121 10.265 3.047 -8.224 1.00 25.00 H new ATOM 0 HB2 HIS A 121 11.037 4.650 -10.082 1.00 25.00 H new ATOM 0 HB3 HIS A 121 12.082 5.399 -8.892 1.00 25.00 H new ATOM 0 HD2 HIS A 121 11.949 2.174 -11.073 1.00 25.00 H new ATOM 0 HE1 HIS A 121 15.586 2.100 -8.947 1.00 25.00 H new ATOM 0 HE2 HIS A 121 14.236 1.007 -10.784 1.00 25.00 H new ATOM 2020 N HIS A 122 10.684 3.369 -5.717 1.00 25.00 N ATOM 2021 CA HIS A 122 11.072 3.340 -4.283 1.00 25.00 C ATOM 2022 C HIS A 122 10.800 4.696 -3.614 1.00 25.00 C ATOM 2023 O HIS A 122 10.440 5.671 -4.277 1.00 25.00 O ATOM 2024 CB HIS A 122 12.529 2.876 -4.056 1.00 25.00 C ATOM 2025 CG HIS A 122 12.745 1.419 -4.330 1.00 25.00 C ATOM 2026 ND1 HIS A 122 12.333 0.405 -3.460 1.00 25.00 N ATOM 2027 CD2 HIS A 122 13.338 0.761 -5.363 1.00 25.00 C ATOM 2028 CE1 HIS A 122 12.673 -0.768 -3.971 1.00 25.00 C ATOM 2029 NE2 HIS A 122 13.278 -0.578 -5.114 1.00 25.00 N ATOM 0 H HIS A 122 9.875 2.780 -5.916 1.00 25.00 H new ATOM 0 HA HIS A 122 10.443 2.589 -3.805 1.00 25.00 H new ATOM 0 HB2 HIS A 122 13.191 3.459 -4.696 1.00 25.00 H new ATOM 0 HB3 HIS A 122 12.813 3.089 -3.025 1.00 25.00 H new ATOM 0 HD2 HIS A 122 13.781 1.222 -6.233 1.00 25.00 H new ATOM 0 HE1 HIS A 122 12.481 -1.729 -3.516 1.00 25.00 H new ATOM 0 HE2 HIS A 122 13.645 -1.311 -5.720 1.00 25.00 H new ATOM 2037 N HIS A 123 10.886 4.723 -2.288 1.00 25.00 N ATOM 2038 CA HIS A 123 10.509 5.900 -1.497 1.00 25.00 C ATOM 2039 C HIS A 123 11.717 6.442 -0.727 1.00 25.00 C ATOM 2040 O HIS A 123 12.454 5.672 -0.134 1.00 25.00 O ATOM 2041 CB HIS A 123 9.405 5.480 -0.510 1.00 25.00 C ATOM 2042 CG HIS A 123 8.534 6.609 -0.046 1.00 25.00 C ATOM 2043 ND1 HIS A 123 7.224 6.803 -0.498 1.00 25.00 N ATOM 2044 CD2 HIS A 123 8.738 7.606 0.857 1.00 25.00 C ATOM 2045 CE1 HIS A 123 6.716 7.868 0.108 1.00 25.00 C ATOM 2046 NE2 HIS A 123 7.608 8.364 0.925 1.00 25.00 N ATOM 0 H HIS A 123 11.217 3.936 -1.729 1.00 25.00 H new ATOM 0 HA HIS A 123 10.150 6.688 -2.158 1.00 25.00 H new ATOM 0 HB2 HIS A 123 8.779 4.723 -0.983 1.00 25.00 H new ATOM 0 HB3 HIS A 123 9.868 5.013 0.359 1.00 25.00 H new ATOM 0 HD2 HIS A 123 9.643 7.769 1.424 1.00 25.00 H new ATOM 0 HE1 HIS A 123 5.723 8.263 -0.049 1.00 25.00 H new ATOM 0 HE2 HIS A 123 7.479 9.185 1.517 1.00 25.00 H new ATOM 2054 N HIS A 124 11.881 7.764 -0.709 1.00 25.00 N ATOM 2055 CA HIS A 124 12.985 8.431 0.018 1.00 25.00 C ATOM 2056 C HIS A 124 14.357 7.830 -0.382 1.00 25.00 C ATOM 2057 O HIS A 124 14.697 7.833 -1.558 1.00 25.00 O ATOM 2058 CB HIS A 124 12.721 8.386 1.548 1.00 25.00 C ATOM 2059 CG HIS A 124 13.623 9.275 2.359 1.00 25.00 C ATOM 2060 ND1 HIS A 124 14.558 8.989 3.309 1.00 25.00 N flip ATOM 2061 CD2 HIS A 124 13.635 10.673 2.266 1.00 25.00 C flip ATOM 2062 CE1 HIS A 124 15.104 10.153 3.748 1.00 25.00 C flip ATOM 2063 NE2 HIS A 124 14.541 11.149 3.115 1.00 25.00 N flip ATOM 0 H HIS A 124 11.259 8.411 -1.194 1.00 25.00 H new ATOM 0 HA HIS A 124 13.022 9.482 -0.268 1.00 25.00 H new ATOM 0 HB2 HIS A 124 11.686 8.672 1.735 1.00 25.00 H new ATOM 0 HB3 HIS A 124 12.836 7.359 1.894 1.00 25.00 H new ATOM 0 HD1 HIS A 124 14.807 8.055 3.636 1.00 25.00 H new ATOM 0 HD2 HIS A 124 13.012 11.266 1.613 1.00 25.00 H new ATOM 0 HE1 HIS A 124 15.877 10.241 4.497 1.00 25.00 H new ATOM 2071 N HIS A 125 15.138 7.381 0.590 1.00 25.00 N ATOM 2072 CA HIS A 125 16.475 6.838 0.391 1.00 25.00 C ATOM 2073 C HIS A 125 16.637 6.006 1.652 1.00 25.00 C ATOM 2074 O HIS A 125 15.951 6.398 2.623 1.00 25.00 O ATOM 2075 CB HIS A 125 17.519 7.971 0.342 1.00 25.00 C ATOM 2076 CG HIS A 125 18.902 7.515 -0.023 1.00 25.00 C ATOM 2077 ND1 HIS A 125 19.488 6.347 0.470 1.00 25.00 N ATOM 2078 CD2 HIS A 125 19.854 8.061 -0.828 1.00 25.00 C ATOM 2079 CE1 HIS A 125 20.716 6.239 -0.021 1.00 25.00 C ATOM 2080 NE2 HIS A 125 20.954 7.257 -0.805 1.00 25.00 N ATOM 2081 OXT HIS A 125 17.415 5.032 1.686 1.00 25.00 O ATOM 0 H HIS A 125 14.850 7.384 1.569 1.00 25.00 H new ATOM 0 HA HIS A 125 16.608 6.282 -0.537 1.00 25.00 H new ATOM 0 HB2 HIS A 125 17.193 8.720 -0.380 1.00 25.00 H new ATOM 0 HB3 HIS A 125 17.554 8.460 1.315 1.00 25.00 H new ATOM 0 HD1 HIS A 125 19.044 5.684 1.105 1.00 25.00 H new ATOM 0 HD2 HIS A 125 19.754 8.978 -1.391 1.00 25.00 H new ATOM 0 HE1 HIS A 125 21.408 5.438 0.193 1.00 25.00 H new TER 2089 HIS A 125