USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 864 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN : amide:sc= -16.3! C(o=-15!,f=-25!) USER MOD Set 1.2: A 37 THR OG1 : rot 98:sc= 0.97 USER MOD Set 2.1: A 20 HIS : no HD1:sc= -44.7! C(o=-1.2e+02!,f=-1.3e+02!) USER MOD Set 2.2: A 21 SER OG : rot 4:sc= -3.64! USER MOD Set 2.3: A 38 HIS : no HE2:sc= -76.5! C(o=-1.2e+02!,f=-1.3e+02!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -66:sc= -0.125 USER MOD Single : A 16 TYR OH : rot 89:sc= -10.3! USER MOD Single : A 22 THR OG1 : rot -130:sc= -4.27! USER MOD Single : A 24 SER OG : rot -170:sc= -7.98! USER MOD Single : A 26 MET CE :methyl 156:sc= 0 (180deg=-0.237) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -15.1! (180deg=-17!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 143:sc= -0.283 (180deg=-1.57!) USER MOD Single : A 41 LYS NZ :NH3+ -150:sc= -4.4! (180deg=-6.47!) USER MOD Single : A 44 ASN : amide:sc= -29.1! C(o=-29!,f=-22!) USER MOD Single : A 47 LYS NZ :NH3+ -131:sc= -7.41! (180deg=-11.9!) USER MOD Single : A 49 LYS NZ :NH3+ 139:sc= -0.162 (180deg=-1.55!) USER MOD Single : A 51 THR OG1 : rot 80:sc= 0.24 USER MOD Single : A 56 LYS NZ :NH3+ 144:sc= -0.124 (180deg=-1.24) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 63 HIS : no HE2:sc= -17! C(o=-17!,f=-23!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -9.01! C(o=-9!,f=-6.8!) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= -0.217 (180deg=-1.68!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -53.3! C(o=-53!,f=-54!) USER MOD Single : A 76 THR OG1 : rot 126:sc= -0.866 USER MOD Single : A 81 ASN : amide:sc= -4! C(o=-4!,f=-10!) USER MOD Single : A 84 LYS NZ :NH3+ -128:sc=-0.000231 (180deg=-0.617) USER MOD Single : A 85 GLN : amide:sc= -5.23! C(o=-5.2!,f=-3.1!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 88:sc= -2.51! USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -4.89! K(o=-4.9!,f=-0.09) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0.346 (180deg=0.175) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HD1:sc= -7.25! C(o=-7.2!,f=-3.1!) USER MOD Single : A 118 HIS : no HD1:sc= -3.4! K(o=-3.4!,f=0.68) USER MOD Single : A 119 HIS : no HD1:sc= -0.269 X(o=-0.27,f=-0.56) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -149:sc= -0.477 (180deg=-1.72) USER MOD ----------------------------------------------------------------- ATOM 26 N GLN A 4 -2.776 -3.091 8.143 1.00 1.00 N ATOM 27 CA GLN A 4 -2.737 -1.753 7.487 1.00 1.00 C ATOM 28 C GLN A 4 -3.069 -1.878 5.997 1.00 1.00 C ATOM 29 O GLN A 4 -3.398 -2.941 5.511 1.00 1.00 O ATOM 30 CB GLN A 4 -1.303 -1.260 7.677 1.00 1.00 C ATOM 31 CG GLN A 4 -1.102 -0.821 9.129 1.00 1.00 C ATOM 32 CD GLN A 4 -0.011 0.250 9.192 1.00 1.00 C ATOM 33 OE1 GLN A 4 -0.301 1.421 9.333 1.00 1.00 O ATOM 34 NE2 GLN A 4 1.241 -0.105 9.092 1.00 1.00 N ATOM 0 HA GLN A 4 -3.466 -1.065 7.915 1.00 1.00 H new ATOM 0 HB2 GLN A 4 -0.598 -2.052 7.425 1.00 1.00 H new ATOM 0 HB3 GLN A 4 -1.101 -0.427 7.003 1.00 1.00 H new ATOM 0 HG2 GLN A 4 -2.035 -0.429 9.534 1.00 1.00 H new ATOM 0 HG3 GLN A 4 -0.822 -1.677 9.743 1.00 1.00 H new ATOM 0 HE21 GLN A 4 1.484 -1.088 8.974 1.00 1.00 H new ATOM 0 HE22 GLN A 4 1.976 0.601 9.132 1.00 1.00 H new ATOM 43 N ILE A 5 -2.976 -0.798 5.270 1.00 1.00 N ATOM 44 CA ILE A 5 -3.278 -0.851 3.810 1.00 1.00 C ATOM 45 C ILE A 5 -2.023 -0.488 3.008 1.00 1.00 C ATOM 46 O ILE A 5 -1.780 0.662 2.698 1.00 1.00 O ATOM 47 CB ILE A 5 -4.378 0.189 3.597 1.00 1.00 C ATOM 48 CG1 ILE A 5 -4.059 1.021 2.354 1.00 1.00 C ATOM 49 CG2 ILE A 5 -4.457 1.108 4.816 1.00 1.00 C ATOM 50 CD1 ILE A 5 -3.707 2.449 2.773 1.00 1.00 C ATOM 0 H ILE A 5 -2.704 0.119 5.623 1.00 1.00 H new ATOM 0 HA ILE A 5 -3.592 -1.842 3.481 1.00 1.00 H new ATOM 0 HB ILE A 5 -5.333 -0.318 3.462 1.00 1.00 H new ATOM 0 HG12 ILE A 5 -3.227 0.575 1.809 1.00 1.00 H new ATOM 0 HG13 ILE A 5 -4.915 1.029 1.679 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -5.242 1.849 4.663 1.00 1.00 H new ATOM 0 HG22 ILE A 5 -4.684 0.517 5.703 1.00 1.00 H new ATOM 0 HG23 ILE A 5 -3.501 1.614 4.952 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -3.480 3.042 1.887 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -4.552 2.892 3.300 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -2.838 2.431 3.431 1.00 1.00 H new ATOM 62 N TYR A 6 -1.219 -1.464 2.682 1.00 1.00 N ATOM 63 CA TYR A 6 0.030 -1.188 1.913 1.00 1.00 C ATOM 64 C TYR A 6 -0.290 -0.604 0.533 1.00 1.00 C ATOM 65 O TYR A 6 -1.419 -0.617 0.084 1.00 1.00 O ATOM 66 CB TYR A 6 0.713 -2.548 1.771 1.00 1.00 C ATOM 67 CG TYR A 6 1.504 -2.845 3.023 1.00 1.00 C ATOM 68 CD1 TYR A 6 0.877 -2.803 4.273 1.00 1.00 C ATOM 69 CD2 TYR A 6 2.865 -3.163 2.932 1.00 1.00 C ATOM 70 CE1 TYR A 6 1.610 -3.077 5.434 1.00 1.00 C ATOM 71 CE2 TYR A 6 3.598 -3.438 4.094 1.00 1.00 C ATOM 72 CZ TYR A 6 2.970 -3.396 5.344 1.00 1.00 C ATOM 73 OH TYR A 6 3.692 -3.667 6.488 1.00 1.00 O ATOM 0 H TYR A 6 -1.374 -2.445 2.916 1.00 1.00 H new ATOM 0 HA TYR A 6 0.662 -0.457 2.417 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -0.032 -3.326 1.605 1.00 1.00 H new ATOM 0 HB3 TYR A 6 1.372 -2.548 0.903 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -0.173 -2.559 4.342 1.00 1.00 H new ATOM 0 HD2 TYR A 6 3.349 -3.196 1.967 1.00 1.00 H new ATOM 0 HE1 TYR A 6 1.126 -3.042 6.399 1.00 1.00 H new ATOM 0 HE2 TYR A 6 4.648 -3.682 4.025 1.00 1.00 H new ATOM 0 HH TYR A 6 4.620 -3.871 6.248 1.00 1.00 H new ATOM 83 N SER A 7 0.707 -0.096 -0.140 1.00 1.00 N ATOM 84 CA SER A 7 0.482 0.487 -1.494 1.00 1.00 C ATOM 85 C SER A 7 1.237 -0.331 -2.547 1.00 1.00 C ATOM 86 O SER A 7 2.278 -0.896 -2.276 1.00 1.00 O ATOM 87 CB SER A 7 1.045 1.906 -1.412 1.00 1.00 C ATOM 88 OG SER A 7 -0.010 2.813 -1.120 1.00 1.00 O ATOM 0 H SER A 7 1.671 -0.060 0.191 1.00 1.00 H new ATOM 0 HA SER A 7 -0.570 0.483 -1.779 1.00 1.00 H new ATOM 0 HB2 SER A 7 1.812 1.961 -0.640 1.00 1.00 H new ATOM 0 HB3 SER A 7 1.522 2.176 -2.354 1.00 1.00 H new ATOM 0 HG SER A 7 0.347 3.724 -1.065 1.00 1.00 H new ATOM 94 N ALA A 8 0.722 -0.402 -3.745 1.00 1.00 N ATOM 95 CA ALA A 8 1.418 -1.188 -4.806 1.00 1.00 C ATOM 96 C ALA A 8 1.132 -0.592 -6.188 1.00 1.00 C ATOM 97 O ALA A 8 0.159 0.111 -6.384 1.00 1.00 O ATOM 98 CB ALA A 8 0.834 -2.597 -4.701 1.00 1.00 C ATOM 0 H ALA A 8 -0.146 0.048 -4.035 1.00 1.00 H new ATOM 0 HA ALA A 8 2.500 -1.182 -4.678 1.00 1.00 H new ATOM 0 HB1 ALA A 8 1.296 -3.239 -5.451 1.00 1.00 H new ATOM 0 HB2 ALA A 8 1.031 -3.000 -3.707 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -0.242 -2.558 -4.870 1.00 1.00 H new ATOM 104 N ARG A 9 1.973 -0.870 -7.148 1.00 1.00 N ATOM 105 CA ARG A 9 1.751 -0.323 -8.518 1.00 1.00 C ATOM 106 C ARG A 9 1.695 -1.464 -9.538 1.00 1.00 C ATOM 107 O ARG A 9 2.685 -2.113 -9.812 1.00 1.00 O ATOM 108 CB ARG A 9 2.958 0.577 -8.786 1.00 1.00 C ATOM 109 CG ARG A 9 3.713 0.068 -10.017 1.00 1.00 C ATOM 110 CD ARG A 9 3.756 1.168 -11.081 1.00 1.00 C ATOM 111 NE ARG A 9 2.355 1.661 -11.181 1.00 1.00 N ATOM 112 CZ ARG A 9 1.998 2.412 -12.188 1.00 1.00 C ATOM 113 NH1 ARG A 9 2.868 2.728 -13.106 1.00 1.00 N ATOM 114 NH2 ARG A 9 0.770 2.846 -12.276 1.00 1.00 N ATOM 0 H ARG A 9 2.804 -1.452 -7.043 1.00 1.00 H new ATOM 0 HA ARG A 9 0.811 0.223 -8.598 1.00 1.00 H new ATOM 0 HB2 ARG A 9 2.630 1.604 -8.946 1.00 1.00 H new ATOM 0 HB3 ARG A 9 3.619 0.585 -7.919 1.00 1.00 H new ATOM 0 HG2 ARG A 9 4.726 -0.225 -9.740 1.00 1.00 H new ATOM 0 HG3 ARG A 9 3.223 -0.820 -10.416 1.00 1.00 H new ATOM 0 HD2 ARG A 9 4.437 1.969 -10.793 1.00 1.00 H new ATOM 0 HD3 ARG A 9 4.107 0.779 -12.037 1.00 1.00 H new ATOM 0 HE ARG A 9 1.674 1.412 -10.463 1.00 1.00 H new ATOM 0 HH11 ARG A 9 3.827 2.389 -13.038 1.00 1.00 H new ATOM 0 HH12 ARG A 9 2.589 3.315 -13.893 1.00 1.00 H new ATOM 0 HH21 ARG A 9 0.089 2.599 -11.558 1.00 1.00 H new ATOM 0 HH22 ARG A 9 0.492 3.433 -13.063 1.00 1.00 H new ATOM 127 N TYR A 10 0.543 -1.717 -10.099 1.00 1.00 N ATOM 128 CA TYR A 10 0.429 -2.820 -11.098 1.00 1.00 C ATOM 129 C TYR A 10 -0.570 -2.446 -12.197 1.00 1.00 C ATOM 130 O TYR A 10 -1.334 -1.510 -12.066 1.00 1.00 O ATOM 131 CB TYR A 10 -0.081 -4.021 -10.301 1.00 1.00 C ATOM 132 CG TYR A 10 1.084 -4.729 -9.652 1.00 1.00 C ATOM 133 CD1 TYR A 10 2.013 -5.417 -10.442 1.00 1.00 C ATOM 134 CD2 TYR A 10 1.236 -4.698 -8.261 1.00 1.00 C ATOM 135 CE1 TYR A 10 3.093 -6.074 -9.841 1.00 1.00 C ATOM 136 CE2 TYR A 10 2.316 -5.355 -7.659 1.00 1.00 C ATOM 137 CZ TYR A 10 3.245 -6.043 -8.450 1.00 1.00 C ATOM 138 OH TYR A 10 4.310 -6.691 -7.856 1.00 1.00 O ATOM 0 H TYR A 10 -0.322 -1.210 -9.910 1.00 1.00 H new ATOM 0 HA TYR A 10 1.379 -3.026 -11.592 1.00 1.00 H new ATOM 0 HB2 TYR A 10 -0.789 -3.692 -9.540 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.616 -4.706 -10.959 1.00 1.00 H new ATOM 0 HD1 TYR A 10 1.896 -5.441 -11.515 1.00 1.00 H new ATOM 0 HD2 TYR A 10 0.520 -4.167 -7.652 1.00 1.00 H new ATOM 0 HE1 TYR A 10 3.809 -6.605 -10.451 1.00 1.00 H new ATOM 0 HE2 TYR A 10 2.433 -5.331 -6.586 1.00 1.00 H new ATOM 0 HH TYR A 10 4.267 -6.569 -6.885 1.00 1.00 H new ATOM 148 N SER A 11 -0.572 -3.178 -13.278 1.00 1.00 N ATOM 149 CA SER A 11 -1.524 -2.876 -14.388 1.00 1.00 C ATOM 150 C SER A 11 -1.352 -1.433 -14.873 1.00 1.00 C ATOM 151 O SER A 11 -2.298 -0.793 -15.285 1.00 1.00 O ATOM 152 CB SER A 11 -2.912 -3.074 -13.780 1.00 1.00 C ATOM 153 OG SER A 11 -3.518 -1.805 -13.573 1.00 1.00 O ATOM 0 H SER A 11 0.045 -3.974 -13.442 1.00 1.00 H new ATOM 0 HA SER A 11 -1.358 -3.517 -15.254 1.00 1.00 H new ATOM 0 HB2 SER A 11 -3.529 -3.681 -14.443 1.00 1.00 H new ATOM 0 HB3 SER A 11 -2.835 -3.612 -12.835 1.00 1.00 H new ATOM 0 HG SER A 11 -3.019 -1.312 -12.888 1.00 1.00 H new ATOM 159 N GLY A 12 -0.154 -0.918 -14.836 1.00 1.00 N ATOM 160 CA GLY A 12 0.068 0.480 -15.304 1.00 1.00 C ATOM 161 C GLY A 12 -0.526 1.465 -14.295 1.00 1.00 C ATOM 162 O GLY A 12 -0.332 2.660 -14.393 1.00 1.00 O ATOM 0 H GLY A 12 0.679 -1.403 -14.503 1.00 1.00 H new ATOM 0 HA2 GLY A 12 1.135 0.668 -15.424 1.00 1.00 H new ATOM 0 HA3 GLY A 12 -0.393 0.624 -16.281 1.00 1.00 H new ATOM 166 N VAL A 13 -1.248 0.973 -13.326 1.00 1.00 N ATOM 167 CA VAL A 13 -1.854 1.883 -12.312 1.00 1.00 C ATOM 168 C VAL A 13 -1.557 1.369 -10.902 1.00 1.00 C ATOM 169 O VAL A 13 -1.611 0.184 -10.641 1.00 1.00 O ATOM 170 CB VAL A 13 -3.356 1.844 -12.593 1.00 1.00 C ATOM 171 CG1 VAL A 13 -3.955 3.233 -12.360 1.00 1.00 C ATOM 172 CG2 VAL A 13 -3.590 1.427 -14.047 1.00 1.00 C ATOM 0 H VAL A 13 -1.445 -0.019 -13.192 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.456 2.896 -12.372 1.00 1.00 H new ATOM 0 HB VAL A 13 -3.833 1.126 -11.926 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -5.026 3.206 -12.560 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -3.787 3.533 -11.326 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -3.479 3.951 -13.028 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -4.661 1.399 -14.250 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -3.114 2.146 -14.713 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -3.163 0.439 -14.215 1.00 1.00 H new ATOM 182 N ASP A 14 -1.237 2.247 -9.992 1.00 1.00 N ATOM 183 CA ASP A 14 -0.930 1.800 -8.604 1.00 1.00 C ATOM 184 C ASP A 14 -2.222 1.565 -7.819 1.00 1.00 C ATOM 185 O ASP A 14 -3.284 2.015 -8.200 1.00 1.00 O ATOM 186 CB ASP A 14 -0.129 2.947 -7.986 1.00 1.00 C ATOM 187 CG ASP A 14 -0.197 4.169 -8.904 1.00 1.00 C ATOM 188 OD1 ASP A 14 -1.282 4.480 -9.364 1.00 1.00 O ATOM 189 OD2 ASP A 14 0.839 4.774 -9.130 1.00 1.00 O ATOM 0 H ASP A 14 -1.175 3.253 -10.149 1.00 1.00 H new ATOM 0 HA ASP A 14 -0.378 0.860 -8.589 1.00 1.00 H new ATOM 0 HB2 ASP A 14 -0.528 3.195 -7.003 1.00 1.00 H new ATOM 0 HB3 ASP A 14 0.908 2.644 -7.842 1.00 1.00 H new ATOM 194 N VAL A 15 -2.136 0.859 -6.726 1.00 1.00 N ATOM 195 CA VAL A 15 -3.354 0.585 -5.912 1.00 1.00 C ATOM 196 C VAL A 15 -2.976 0.453 -4.433 1.00 1.00 C ATOM 197 O VAL A 15 -1.820 0.530 -4.070 1.00 1.00 O ATOM 198 CB VAL A 15 -3.899 -0.739 -6.446 1.00 1.00 C ATOM 199 CG1 VAL A 15 -2.872 -1.373 -7.387 1.00 1.00 C ATOM 200 CG2 VAL A 15 -4.171 -1.688 -5.276 1.00 1.00 C ATOM 0 H VAL A 15 -1.272 0.459 -6.360 1.00 1.00 H new ATOM 0 HA VAL A 15 -4.090 1.385 -5.984 1.00 1.00 H new ATOM 0 HB VAL A 15 -4.826 -0.556 -6.990 1.00 1.00 H new ATOM 0 HG11 VAL A 15 -3.261 -2.317 -7.767 1.00 1.00 H new ATOM 0 HG12 VAL A 15 -2.677 -0.698 -8.221 1.00 1.00 H new ATOM 0 HG13 VAL A 15 -1.945 -1.555 -6.844 1.00 1.00 H new ATOM 0 HG21 VAL A 15 -4.560 -2.633 -5.656 1.00 1.00 H new ATOM 0 HG22 VAL A 15 -3.244 -1.870 -4.732 1.00 1.00 H new ATOM 0 HG23 VAL A 15 -4.903 -1.238 -4.605 1.00 1.00 H new ATOM 210 N TYR A 16 -3.940 0.245 -3.580 1.00 1.00 N ATOM 211 CA TYR A 16 -3.632 0.097 -2.128 1.00 1.00 C ATOM 212 C TYR A 16 -3.998 -1.314 -1.665 1.00 1.00 C ATOM 213 O TYR A 16 -4.912 -1.925 -2.181 1.00 1.00 O ATOM 214 CB TYR A 16 -4.504 1.140 -1.427 1.00 1.00 C ATOM 215 CG TYR A 16 -4.901 2.210 -2.416 1.00 1.00 C ATOM 216 CD1 TYR A 16 -4.047 2.536 -3.475 1.00 1.00 C ATOM 217 CD2 TYR A 16 -6.123 2.878 -2.271 1.00 1.00 C ATOM 218 CE1 TYR A 16 -4.415 3.528 -4.392 1.00 1.00 C ATOM 219 CE2 TYR A 16 -6.491 3.871 -3.187 1.00 1.00 C ATOM 220 CZ TYR A 16 -5.637 4.197 -4.247 1.00 1.00 C ATOM 221 OH TYR A 16 -5.999 5.175 -5.150 1.00 1.00 O ATOM 0 H TYR A 16 -4.928 0.171 -3.824 1.00 1.00 H new ATOM 0 HA TYR A 16 -2.575 0.244 -1.907 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -5.393 0.666 -1.011 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.960 1.584 -0.593 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -3.103 2.022 -3.585 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -6.782 2.627 -1.453 1.00 1.00 H new ATOM 0 HE1 TYR A 16 -3.757 3.777 -5.211 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -7.434 4.386 -3.076 1.00 1.00 H new ATOM 0 HH TYR A 16 -6.478 4.766 -5.901 1.00 1.00 H new ATOM 231 N GLU A 17 -3.296 -1.841 -0.700 1.00 1.00 N ATOM 232 CA GLU A 17 -3.615 -3.217 -0.222 1.00 1.00 C ATOM 233 C GLU A 17 -3.986 -3.196 1.263 1.00 1.00 C ATOM 234 O GLU A 17 -3.258 -2.681 2.089 1.00 1.00 O ATOM 235 CB GLU A 17 -2.335 -4.024 -0.443 1.00 1.00 C ATOM 236 CG GLU A 17 -1.121 -3.098 -0.335 1.00 1.00 C ATOM 237 CD GLU A 17 -0.509 -2.895 -1.722 1.00 1.00 C ATOM 238 OE1 GLU A 17 -1.266 -2.791 -2.673 1.00 1.00 O ATOM 239 OE2 GLU A 17 0.707 -2.846 -1.810 1.00 1.00 O ATOM 0 H GLU A 17 -2.520 -1.382 -0.224 1.00 1.00 H new ATOM 0 HA GLU A 17 -4.465 -3.647 -0.753 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -2.264 -4.822 0.296 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -2.357 -4.499 -1.424 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -1.419 -2.138 0.087 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -0.382 -3.527 0.341 1.00 1.00 H new ATOM 246 N PHE A 18 -5.112 -3.758 1.604 1.00 1.00 N ATOM 247 CA PHE A 18 -5.540 -3.783 3.031 1.00 1.00 C ATOM 248 C PHE A 18 -5.984 -5.198 3.407 1.00 1.00 C ATOM 249 O PHE A 18 -6.692 -5.851 2.666 1.00 1.00 O ATOM 250 CB PHE A 18 -6.716 -2.805 3.106 1.00 1.00 C ATOM 251 CG PHE A 18 -7.292 -2.796 4.502 1.00 1.00 C ATOM 252 CD1 PHE A 18 -7.314 -3.973 5.261 1.00 1.00 C ATOM 253 CD2 PHE A 18 -7.808 -1.610 5.036 1.00 1.00 C ATOM 254 CE1 PHE A 18 -7.851 -3.961 6.555 1.00 1.00 C ATOM 255 CE2 PHE A 18 -8.345 -1.598 6.328 1.00 1.00 C ATOM 256 CZ PHE A 18 -8.367 -2.774 7.087 1.00 1.00 C ATOM 0 H PHE A 18 -5.758 -4.204 0.952 1.00 1.00 H new ATOM 0 HA PHE A 18 -4.741 -3.504 3.718 1.00 1.00 H new ATOM 0 HB2 PHE A 18 -6.384 -1.803 2.834 1.00 1.00 H new ATOM 0 HB3 PHE A 18 -7.485 -3.092 2.388 1.00 1.00 H new ATOM 0 HD1 PHE A 18 -6.917 -4.889 4.849 1.00 1.00 H new ATOM 0 HD2 PHE A 18 -7.792 -0.703 4.450 1.00 1.00 H new ATOM 0 HE1 PHE A 18 -7.867 -4.868 7.142 1.00 1.00 H new ATOM 0 HE2 PHE A 18 -8.742 -0.682 6.739 1.00 1.00 H new ATOM 0 HZ PHE A 18 -8.782 -2.765 8.084 1.00 1.00 H new ATOM 266 N ILE A 19 -5.575 -5.683 4.546 1.00 1.00 N ATOM 267 CA ILE A 19 -5.980 -7.058 4.955 1.00 1.00 C ATOM 268 C ILE A 19 -7.279 -7.004 5.759 1.00 1.00 C ATOM 269 O ILE A 19 -7.403 -6.249 6.702 1.00 1.00 O ATOM 270 CB ILE A 19 -4.831 -7.570 5.822 1.00 1.00 C ATOM 271 CG1 ILE A 19 -3.520 -7.477 5.036 1.00 1.00 C ATOM 272 CG2 ILE A 19 -5.090 -9.029 6.206 1.00 1.00 C ATOM 273 CD1 ILE A 19 -3.809 -7.620 3.541 1.00 1.00 C ATOM 0 H ILE A 19 -4.979 -5.189 5.210 1.00 1.00 H new ATOM 0 HA ILE A 19 -6.162 -7.708 4.099 1.00 1.00 H new ATOM 0 HB ILE A 19 -4.760 -6.964 6.725 1.00 1.00 H new ATOM 0 HG12 ILE A 19 -3.033 -6.522 5.233 1.00 1.00 H new ATOM 0 HG13 ILE A 19 -2.833 -8.259 5.361 1.00 1.00 H new ATOM 0 HG21 ILE A 19 -4.270 -9.394 6.824 1.00 1.00 H new ATOM 0 HG22 ILE A 19 -6.024 -9.098 6.764 1.00 1.00 H new ATOM 0 HG23 ILE A 19 -5.161 -9.636 5.303 1.00 1.00 H new ATOM 0 HD11 ILE A 19 -2.876 -7.554 2.982 1.00 1.00 H new ATOM 0 HD12 ILE A 19 -4.278 -8.586 3.352 1.00 1.00 H new ATOM 0 HD13 ILE A 19 -4.480 -6.822 3.222 1.00 1.00 H new ATOM 285 N HIS A 20 -8.251 -7.797 5.397 1.00 1.00 N ATOM 286 CA HIS A 20 -9.539 -7.779 6.149 1.00 1.00 C ATOM 287 C HIS A 20 -10.209 -9.155 6.107 1.00 1.00 C ATOM 288 O HIS A 20 -9.564 -10.177 6.227 1.00 1.00 O ATOM 289 CB HIS A 20 -10.401 -6.742 5.429 1.00 1.00 C ATOM 290 CG HIS A 20 -11.520 -6.305 6.333 1.00 1.00 C ATOM 291 ND1 HIS A 20 -12.024 -7.121 7.334 1.00 1.00 N ATOM 292 CD2 HIS A 20 -12.242 -5.139 6.401 1.00 1.00 C ATOM 293 CE1 HIS A 20 -13.006 -6.442 7.955 1.00 1.00 C ATOM 294 NE2 HIS A 20 -13.180 -5.229 7.426 1.00 1.00 N ATOM 0 H HIS A 20 -8.210 -8.453 4.617 1.00 1.00 H new ATOM 0 HA HIS A 20 -9.394 -7.535 7.201 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -9.793 -5.883 5.144 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -10.806 -7.165 4.510 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -12.103 -4.283 5.758 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -13.583 -6.831 8.781 1.00 1.00 H new ATOM 0 HE2 HIS A 20 -13.855 -4.520 7.711 1.00 1.00 H new ATOM 302 N SER A 21 -11.502 -9.184 5.926 1.00 1.00 N ATOM 303 CA SER A 21 -12.218 -10.490 5.869 1.00 1.00 C ATOM 304 C SER A 21 -11.791 -11.265 4.623 1.00 1.00 C ATOM 305 O SER A 21 -11.681 -12.476 4.637 1.00 1.00 O ATOM 306 CB SER A 21 -13.700 -10.127 5.794 1.00 1.00 C ATOM 307 OG SER A 21 -13.956 -9.019 6.648 1.00 1.00 O ATOM 0 H SER A 21 -12.093 -8.360 5.815 1.00 1.00 H new ATOM 0 HA SER A 21 -11.999 -11.122 6.730 1.00 1.00 H new ATOM 0 HB2 SER A 21 -13.975 -9.881 4.768 1.00 1.00 H new ATOM 0 HB3 SER A 21 -14.311 -10.979 6.092 1.00 1.00 H new ATOM 0 HG SER A 21 -13.115 -8.710 7.044 1.00 1.00 H new ATOM 313 N THR A 22 -11.539 -10.573 3.546 1.00 1.00 N ATOM 314 CA THR A 22 -11.106 -11.264 2.300 1.00 1.00 C ATOM 315 C THR A 22 -9.580 -11.264 2.224 1.00 1.00 C ATOM 316 O THR A 22 -8.998 -11.477 1.179 1.00 1.00 O ATOM 317 CB THR A 22 -11.703 -10.440 1.159 1.00 1.00 C ATOM 318 OG1 THR A 22 -12.249 -11.315 0.181 1.00 1.00 O ATOM 319 CG2 THR A 22 -10.612 -9.578 0.522 1.00 1.00 C ATOM 0 H THR A 22 -11.614 -9.558 3.476 1.00 1.00 H new ATOM 0 HA THR A 22 -11.435 -12.302 2.258 1.00 1.00 H new ATOM 0 HB THR A 22 -12.489 -9.794 1.550 1.00 1.00 H new ATOM 0 HG1 THR A 22 -11.919 -11.061 -0.706 1.00 1.00 H new ATOM 0 HG21 THR A 22 -11.040 -8.992 -0.291 1.00 1.00 H new ATOM 0 HG22 THR A 22 -10.194 -8.907 1.272 1.00 1.00 H new ATOM 0 HG23 THR A 22 -9.823 -10.220 0.130 1.00 1.00 H new ATOM 327 N GLY A 23 -8.929 -11.012 3.326 1.00 1.00 N ATOM 328 CA GLY A 23 -7.442 -10.979 3.320 1.00 1.00 C ATOM 329 C GLY A 23 -6.981 -9.541 3.089 1.00 1.00 C ATOM 330 O GLY A 23 -7.169 -8.682 3.926 1.00 1.00 O ATOM 0 H GLY A 23 -9.364 -10.828 4.230 1.00 1.00 H new ATOM 0 HA2 GLY A 23 -7.053 -11.352 4.267 1.00 1.00 H new ATOM 0 HA3 GLY A 23 -7.053 -11.630 2.537 1.00 1.00 H new ATOM 334 N SER A 24 -6.386 -9.268 1.960 1.00 1.00 N ATOM 335 CA SER A 24 -5.920 -7.879 1.679 1.00 1.00 C ATOM 336 C SER A 24 -6.799 -7.228 0.609 1.00 1.00 C ATOM 337 O SER A 24 -7.342 -7.890 -0.251 1.00 1.00 O ATOM 338 CB SER A 24 -4.488 -8.038 1.172 1.00 1.00 C ATOM 339 OG SER A 24 -3.750 -6.861 1.473 1.00 1.00 O ATOM 0 H SER A 24 -6.202 -9.946 1.220 1.00 1.00 H new ATOM 0 HA SER A 24 -5.973 -7.241 2.561 1.00 1.00 H new ATOM 0 HB2 SER A 24 -4.019 -8.904 1.638 1.00 1.00 H new ATOM 0 HB3 SER A 24 -4.488 -8.216 0.097 1.00 1.00 H new ATOM 0 HG SER A 24 -2.884 -6.892 1.015 1.00 1.00 H new ATOM 345 N ILE A 25 -6.936 -5.931 0.655 1.00 1.00 N ATOM 346 CA ILE A 25 -7.772 -5.231 -0.360 1.00 1.00 C ATOM 347 C ILE A 25 -6.891 -4.329 -1.227 1.00 1.00 C ATOM 348 O ILE A 25 -6.171 -3.485 -0.731 1.00 1.00 O ATOM 349 CB ILE A 25 -8.764 -4.394 0.449 1.00 1.00 C ATOM 350 CG1 ILE A 25 -9.016 -5.068 1.800 1.00 1.00 C ATOM 351 CG2 ILE A 25 -10.083 -4.284 -0.317 1.00 1.00 C ATOM 352 CD1 ILE A 25 -9.786 -4.110 2.711 1.00 1.00 C ATOM 0 H ILE A 25 -6.504 -5.325 1.353 1.00 1.00 H new ATOM 0 HA ILE A 25 -8.280 -5.925 -1.030 1.00 1.00 H new ATOM 0 HB ILE A 25 -8.352 -3.398 0.609 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -9.583 -5.988 1.659 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -8.069 -5.345 2.263 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -10.790 -3.687 0.260 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -9.906 -3.806 -1.280 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -10.495 -5.280 -0.477 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -9.966 -4.589 3.673 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -9.202 -3.202 2.861 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -10.740 -3.855 2.248 1.00 1.00 H new ATOM 364 N MET A 26 -6.932 -4.506 -2.518 1.00 1.00 N ATOM 365 CA MET A 26 -6.087 -3.661 -3.411 1.00 1.00 C ATOM 366 C MET A 26 -6.927 -2.565 -4.074 1.00 1.00 C ATOM 367 O MET A 26 -7.934 -2.831 -4.699 1.00 1.00 O ATOM 368 CB MET A 26 -5.542 -4.627 -4.464 1.00 1.00 C ATOM 369 CG MET A 26 -4.326 -5.365 -3.902 1.00 1.00 C ATOM 370 SD MET A 26 -3.452 -6.199 -5.249 1.00 1.00 S ATOM 371 CE MET A 26 -1.779 -6.016 -4.583 1.00 1.00 C ATOM 0 H MET A 26 -7.512 -5.197 -2.994 1.00 1.00 H new ATOM 0 HA MET A 26 -5.292 -3.155 -2.863 1.00 1.00 H new ATOM 0 HB2 MET A 26 -6.313 -5.342 -4.751 1.00 1.00 H new ATOM 0 HB3 MET A 26 -5.264 -4.080 -5.365 1.00 1.00 H new ATOM 0 HG2 MET A 26 -3.660 -4.662 -3.402 1.00 1.00 H new ATOM 0 HG3 MET A 26 -4.642 -6.092 -3.154 1.00 1.00 H new ATOM 0 HE1 MET A 26 -1.136 -6.792 -4.997 1.00 1.00 H new ATOM 0 HE2 MET A 26 -1.385 -5.036 -4.853 1.00 1.00 H new ATOM 0 HE3 MET A 26 -1.807 -6.109 -3.497 1.00 1.00 H new ATOM 381 N LYS A 27 -6.516 -1.333 -3.941 1.00 1.00 N ATOM 382 CA LYS A 27 -7.285 -0.216 -4.561 1.00 1.00 C ATOM 383 C LYS A 27 -6.478 0.412 -5.702 1.00 1.00 C ATOM 384 O LYS A 27 -5.265 0.341 -5.728 1.00 1.00 O ATOM 385 CB LYS A 27 -7.495 0.794 -3.433 1.00 1.00 C ATOM 386 CG LYS A 27 -6.564 0.458 -2.266 1.00 1.00 C ATOM 387 CD LYS A 27 -7.049 -0.818 -1.577 1.00 1.00 C ATOM 388 CE LYS A 27 -7.575 -0.478 -0.181 1.00 1.00 C ATOM 389 NZ LYS A 27 -8.468 -1.614 0.181 1.00 1.00 N ATOM 0 H LYS A 27 -5.680 -1.051 -3.429 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.230 -0.552 -4.988 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -7.295 1.803 -3.793 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -8.533 0.774 -3.101 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -5.544 0.324 -2.627 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -6.544 1.283 -1.554 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -7.835 -1.287 -2.169 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -6.233 -1.537 -1.504 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -6.759 -0.374 0.534 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -8.119 0.467 -0.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -9.182 -1.290 0.864 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -8.943 -1.969 -0.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -7.904 -2.377 0.606 1.00 1.00 H new ATOM 402 N ARG A 28 -7.141 1.023 -6.647 1.00 1.00 N ATOM 403 CA ARG A 28 -6.408 1.650 -7.784 1.00 1.00 C ATOM 404 C ARG A 28 -6.091 3.118 -7.474 1.00 1.00 C ATOM 405 O ARG A 28 -6.900 3.836 -6.921 1.00 1.00 O ATOM 406 CB ARG A 28 -7.362 1.544 -8.975 1.00 1.00 C ATOM 407 CG ARG A 28 -6.557 1.545 -10.276 1.00 1.00 C ATOM 408 CD ARG A 28 -6.834 0.253 -11.050 1.00 1.00 C ATOM 409 NE ARG A 28 -6.927 -0.807 -10.009 1.00 1.00 N ATOM 410 CZ ARG A 28 -6.361 -1.967 -10.206 1.00 1.00 C ATOM 411 NH1 ARG A 28 -5.712 -2.196 -11.314 1.00 1.00 N ATOM 412 NH2 ARG A 28 -6.444 -2.897 -9.294 1.00 1.00 N ATOM 0 H ARG A 28 -8.156 1.115 -6.681 1.00 1.00 H new ATOM 0 HA ARG A 28 -5.454 1.159 -7.979 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -7.953 0.631 -8.901 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -8.063 2.379 -8.968 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.827 2.410 -10.882 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -5.493 1.629 -10.057 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -7.759 0.326 -11.622 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -6.035 0.040 -11.760 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.433 -0.627 -9.142 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -5.647 -1.469 -12.026 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -5.270 -3.102 -11.468 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -6.951 -2.718 -8.427 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -6.002 -3.803 -9.448 1.00 1.00 H new ATOM 425 N LYS A 29 -4.919 3.565 -7.832 1.00 1.00 N ATOM 426 CA LYS A 29 -4.544 4.985 -7.569 1.00 1.00 C ATOM 427 C LYS A 29 -5.371 5.928 -8.446 1.00 1.00 C ATOM 428 O LYS A 29 -5.677 7.041 -8.064 1.00 1.00 O ATOM 429 CB LYS A 29 -3.065 5.080 -7.931 1.00 1.00 C ATOM 430 CG LYS A 29 -2.215 4.680 -6.723 1.00 1.00 C ATOM 431 CD LYS A 29 -2.578 5.564 -5.527 1.00 1.00 C ATOM 432 CE LYS A 29 -1.701 6.817 -5.534 1.00 1.00 C ATOM 433 NZ LYS A 29 -2.624 7.930 -5.889 1.00 1.00 N ATOM 0 H LYS A 29 -4.202 3.007 -8.297 1.00 1.00 H new ATOM 0 HA LYS A 29 -4.730 5.272 -6.534 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.844 4.428 -8.776 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.820 6.096 -8.240 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -2.383 3.631 -6.478 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -1.156 4.786 -6.959 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.630 5.844 -5.574 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -2.436 5.013 -4.597 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -1.240 6.982 -4.560 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -0.892 6.729 -6.259 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.095 8.825 -5.914 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -3.043 7.749 -6.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.380 7.994 -5.178 1.00 1.00 H new ATOM 446 N LYS A 30 -5.725 5.495 -9.625 1.00 1.00 N ATOM 447 CA LYS A 30 -6.520 6.368 -10.537 1.00 1.00 C ATOM 448 C LYS A 30 -7.631 7.082 -9.764 1.00 1.00 C ATOM 449 O LYS A 30 -7.615 8.287 -9.609 1.00 1.00 O ATOM 450 CB LYS A 30 -7.117 5.415 -11.574 1.00 1.00 C ATOM 451 CG LYS A 30 -6.121 5.215 -12.717 1.00 1.00 C ATOM 452 CD LYS A 30 -6.505 6.116 -13.892 1.00 1.00 C ATOM 453 CE LYS A 30 -5.869 5.579 -15.176 1.00 1.00 C ATOM 454 NZ LYS A 30 -6.540 4.273 -15.421 1.00 1.00 N ATOM 0 H LYS A 30 -5.498 4.573 -9.997 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.909 7.145 -10.996 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -7.352 4.457 -11.110 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -8.053 5.820 -11.960 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.112 5.450 -12.379 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.117 4.171 -13.031 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.589 6.151 -13.998 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.169 7.136 -13.706 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -6.023 6.264 -16.009 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -4.792 5.454 -15.061 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -6.679 4.141 -16.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.947 3.503 -15.050 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.463 4.261 -14.941 1.00 1.00 H new ATOM 467 N ASP A 31 -8.597 6.353 -9.277 1.00 1.00 N ATOM 468 CA ASP A 31 -9.705 7.002 -8.517 1.00 1.00 C ATOM 469 C ASP A 31 -9.686 6.545 -7.058 1.00 1.00 C ATOM 470 O ASP A 31 -10.694 6.559 -6.379 1.00 1.00 O ATOM 471 CB ASP A 31 -10.987 6.537 -9.209 1.00 1.00 C ATOM 472 CG ASP A 31 -12.177 7.329 -8.665 1.00 1.00 C ATOM 473 OD1 ASP A 31 -12.028 7.941 -7.619 1.00 1.00 O ATOM 474 OD2 ASP A 31 -13.217 7.311 -9.301 1.00 1.00 O ATOM 0 H ASP A 31 -8.668 5.340 -9.371 1.00 1.00 H new ATOM 0 HA ASP A 31 -9.618 8.088 -8.509 1.00 1.00 H new ATOM 0 HB2 ASP A 31 -10.904 6.680 -10.286 1.00 1.00 H new ATOM 0 HB3 ASP A 31 -11.138 5.471 -9.040 1.00 1.00 H new ATOM 479 N ASP A 32 -8.548 6.136 -6.568 1.00 1.00 N ATOM 480 CA ASP A 32 -8.471 5.677 -5.152 1.00 1.00 C ATOM 481 C ASP A 32 -9.650 4.752 -4.839 1.00 1.00 C ATOM 482 O ASP A 32 -10.416 4.991 -3.927 1.00 1.00 O ATOM 483 CB ASP A 32 -8.553 6.954 -4.316 1.00 1.00 C ATOM 484 CG ASP A 32 -7.181 7.256 -3.709 1.00 1.00 C ATOM 485 OD1 ASP A 32 -6.395 7.914 -4.371 1.00 1.00 O ATOM 486 OD2 ASP A 32 -6.941 6.826 -2.594 1.00 1.00 O ATOM 0 H ASP A 32 -7.670 6.100 -7.086 1.00 1.00 H new ATOM 0 HA ASP A 32 -7.560 5.116 -4.945 1.00 1.00 H new ATOM 0 HB2 ASP A 32 -8.879 7.788 -4.938 1.00 1.00 H new ATOM 0 HB3 ASP A 32 -9.294 6.837 -3.526 1.00 1.00 H new ATOM 491 N TRP A 33 -9.801 3.697 -5.592 1.00 1.00 N ATOM 492 CA TRP A 33 -10.929 2.755 -5.342 1.00 1.00 C ATOM 493 C TRP A 33 -10.479 1.634 -4.402 1.00 1.00 C ATOM 494 O TRP A 33 -9.302 1.364 -4.260 1.00 1.00 O ATOM 495 CB TRP A 33 -11.295 2.188 -6.714 1.00 1.00 C ATOM 496 CG TRP A 33 -10.582 2.949 -7.784 1.00 1.00 C ATOM 497 CD1 TRP A 33 -9.239 3.014 -7.930 1.00 1.00 C ATOM 498 CD2 TRP A 33 -11.149 3.750 -8.862 1.00 1.00 C ATOM 499 NE1 TRP A 33 -8.945 3.805 -9.027 1.00 1.00 N ATOM 500 CE2 TRP A 33 -10.090 4.281 -9.635 1.00 1.00 C ATOM 501 CE3 TRP A 33 -12.467 4.064 -9.240 1.00 1.00 C ATOM 502 CZ2 TRP A 33 -10.329 5.096 -10.743 1.00 1.00 C ATOM 503 CZ3 TRP A 33 -12.712 4.883 -10.354 1.00 1.00 C ATOM 504 CH2 TRP A 33 -11.645 5.397 -11.104 1.00 1.00 C ATOM 0 H TRP A 33 -9.191 3.446 -6.370 1.00 1.00 H new ATOM 0 HA TRP A 33 -11.779 3.249 -4.870 1.00 1.00 H new ATOM 0 HB2 TRP A 33 -11.026 1.133 -6.765 1.00 1.00 H new ATOM 0 HB3 TRP A 33 -12.372 2.250 -6.867 1.00 1.00 H new ATOM 0 HD1 TRP A 33 -8.514 2.528 -7.294 1.00 1.00 H new ATOM 0 HE1 TRP A 33 -7.999 4.011 -9.347 1.00 1.00 H new ATOM 0 HE3 TRP A 33 -13.296 3.672 -8.669 1.00 1.00 H new ATOM 0 HZ2 TRP A 33 -9.503 5.491 -11.317 1.00 1.00 H new ATOM 0 HZ3 TRP A 33 -13.728 5.118 -10.635 1.00 1.00 H new ATOM 0 HH2 TRP A 33 -11.840 6.025 -11.960 1.00 1.00 H new ATOM 515 N VAL A 34 -11.406 0.976 -3.763 1.00 1.00 N ATOM 516 CA VAL A 34 -11.033 -0.131 -2.838 1.00 1.00 C ATOM 517 C VAL A 34 -11.834 -1.389 -3.183 1.00 1.00 C ATOM 518 O VAL A 34 -12.934 -1.313 -3.693 1.00 1.00 O ATOM 519 CB VAL A 34 -11.402 0.377 -1.444 1.00 1.00 C ATOM 520 CG1 VAL A 34 -12.825 -0.068 -1.098 1.00 1.00 C ATOM 521 CG2 VAL A 34 -10.425 -0.198 -0.417 1.00 1.00 C ATOM 0 H VAL A 34 -12.407 1.157 -3.841 1.00 1.00 H new ATOM 0 HA VAL A 34 -9.978 -0.394 -2.906 1.00 1.00 H new ATOM 0 HB VAL A 34 -11.348 1.466 -1.428 1.00 1.00 H new ATOM 0 HG11 VAL A 34 -13.088 0.294 -0.104 1.00 1.00 H new ATOM 0 HG12 VAL A 34 -13.522 0.341 -1.829 1.00 1.00 H new ATOM 0 HG13 VAL A 34 -12.880 -1.157 -1.114 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -10.687 0.164 0.577 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -10.479 -1.287 -0.433 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -9.411 0.118 -0.662 1.00 1.00 H new ATOM 531 N ASN A 35 -11.294 -2.545 -2.911 1.00 1.00 N ATOM 532 CA ASN A 35 -12.033 -3.801 -3.230 1.00 1.00 C ATOM 533 C ASN A 35 -13.350 -3.851 -2.453 1.00 1.00 C ATOM 534 O ASN A 35 -13.384 -4.212 -1.293 1.00 1.00 O ATOM 535 CB ASN A 35 -11.103 -4.930 -2.785 1.00 1.00 C ATOM 536 CG ASN A 35 -11.793 -6.277 -3.010 1.00 1.00 C ATOM 537 OD1 ASN A 35 -12.653 -6.399 -3.859 1.00 1.00 O ATOM 538 ND2 ASN A 35 -11.447 -7.302 -2.279 1.00 1.00 N ATOM 0 H ASN A 35 -10.377 -2.675 -2.484 1.00 1.00 H new ATOM 0 HA ASN A 35 -12.287 -3.875 -4.288 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -10.169 -4.889 -3.346 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -10.847 -4.811 -1.732 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -11.899 -8.205 -2.421 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -10.725 -7.199 -1.566 1.00 1.00 H new ATOM 545 N ALA A 36 -14.436 -3.495 -3.083 1.00 1.00 N ATOM 546 CA ALA A 36 -15.752 -3.525 -2.381 1.00 1.00 C ATOM 547 C ALA A 36 -15.865 -4.787 -1.522 1.00 1.00 C ATOM 548 O ALA A 36 -16.642 -4.843 -0.590 1.00 1.00 O ATOM 549 CB ALA A 36 -16.796 -3.542 -3.497 1.00 1.00 C ATOM 0 H ALA A 36 -14.470 -3.184 -4.054 1.00 1.00 H new ATOM 0 HA ALA A 36 -15.883 -2.674 -1.713 1.00 1.00 H new ATOM 0 HB1 ALA A 36 -17.795 -3.564 -3.061 1.00 1.00 H new ATOM 0 HB2 ALA A 36 -16.688 -2.647 -4.110 1.00 1.00 H new ATOM 0 HB3 ALA A 36 -16.651 -4.427 -4.117 1.00 1.00 H new ATOM 555 N THR A 37 -15.094 -5.799 -1.819 1.00 1.00 N ATOM 556 CA THR A 37 -15.164 -7.046 -1.003 1.00 1.00 C ATOM 557 C THR A 37 -14.729 -6.744 0.430 1.00 1.00 C ATOM 558 O THR A 37 -15.423 -7.050 1.378 1.00 1.00 O ATOM 559 CB THR A 37 -14.193 -8.022 -1.667 1.00 1.00 C ATOM 560 OG1 THR A 37 -14.413 -8.027 -3.070 1.00 1.00 O ATOM 561 CG2 THR A 37 -14.424 -9.426 -1.105 1.00 1.00 C ATOM 0 H THR A 37 -14.423 -5.817 -2.587 1.00 1.00 H new ATOM 0 HA THR A 37 -16.172 -7.458 -0.958 1.00 1.00 H new ATOM 0 HB THR A 37 -13.167 -7.714 -1.464 1.00 1.00 H new ATOM 0 HG1 THR A 37 -13.758 -7.443 -3.506 1.00 1.00 H new ATOM 0 HG21 THR A 37 -13.733 -10.125 -1.576 1.00 1.00 H new ATOM 0 HG22 THR A 37 -14.255 -9.419 -0.028 1.00 1.00 H new ATOM 0 HG23 THR A 37 -15.449 -9.736 -1.309 1.00 1.00 H new ATOM 569 N HIS A 38 -13.591 -6.127 0.592 1.00 1.00 N ATOM 570 CA HIS A 38 -13.126 -5.787 1.964 1.00 1.00 C ATOM 571 C HIS A 38 -14.186 -4.920 2.640 1.00 1.00 C ATOM 572 O HIS A 38 -14.341 -4.923 3.845 1.00 1.00 O ATOM 573 CB HIS A 38 -11.830 -5.002 1.765 1.00 1.00 C ATOM 574 CG HIS A 38 -12.026 -3.585 2.226 1.00 1.00 C ATOM 575 ND1 HIS A 38 -11.783 -2.498 1.401 1.00 1.00 N ATOM 576 CD2 HIS A 38 -12.444 -3.059 3.424 1.00 1.00 C ATOM 577 CE1 HIS A 38 -12.054 -1.385 2.106 1.00 1.00 C ATOM 578 NE2 HIS A 38 -12.460 -1.670 3.346 1.00 1.00 N ATOM 0 H HIS A 38 -12.966 -5.845 -0.163 1.00 1.00 H new ATOM 0 HA HIS A 38 -12.963 -6.664 2.591 1.00 1.00 H new ATOM 0 HB2 HIS A 38 -11.020 -5.469 2.325 1.00 1.00 H new ATOM 0 HB3 HIS A 38 -11.541 -5.017 0.714 1.00 1.00 H new ATOM 0 HD1 HIS A 38 -11.458 -2.535 0.435 1.00 1.00 H new ATOM 0 HD2 HIS A 38 -12.719 -3.636 4.295 1.00 1.00 H new ATOM 0 HE1 HIS A 38 -11.955 -0.383 1.717 1.00 1.00 H new ATOM 586 N ILE A 39 -14.928 -4.186 1.857 1.00 1.00 N ATOM 587 CA ILE A 39 -16.000 -3.320 2.420 1.00 1.00 C ATOM 588 C ILE A 39 -17.310 -4.108 2.482 1.00 1.00 C ATOM 589 O ILE A 39 -18.009 -4.102 3.475 1.00 1.00 O ATOM 590 CB ILE A 39 -16.117 -2.159 1.433 1.00 1.00 C ATOM 591 CG1 ILE A 39 -15.178 -1.030 1.863 1.00 1.00 C ATOM 592 CG2 ILE A 39 -17.556 -1.646 1.410 1.00 1.00 C ATOM 593 CD1 ILE A 39 -13.934 -1.041 0.973 1.00 1.00 C ATOM 0 H ILE A 39 -14.836 -4.150 0.842 1.00 1.00 H new ATOM 0 HA ILE A 39 -15.782 -2.974 3.430 1.00 1.00 H new ATOM 0 HB ILE A 39 -15.842 -2.502 0.436 1.00 1.00 H new ATOM 0 HG12 ILE A 39 -15.686 -0.069 1.785 1.00 1.00 H new ATOM 0 HG13 ILE A 39 -14.893 -1.156 2.908 1.00 1.00 H new ATOM 0 HG21 ILE A 39 -17.636 -0.818 0.705 1.00 1.00 H new ATOM 0 HG22 ILE A 39 -18.224 -2.450 1.102 1.00 1.00 H new ATOM 0 HG23 ILE A 39 -17.836 -1.303 2.406 1.00 1.00 H new ATOM 0 HD11 ILE A 39 -13.262 -0.238 1.276 1.00 1.00 H new ATOM 0 HD12 ILE A 39 -13.423 -1.999 1.074 1.00 1.00 H new ATOM 0 HD13 ILE A 39 -14.229 -0.894 -0.066 1.00 1.00 H new ATOM 605 N LEU A 40 -17.638 -4.796 1.421 1.00 1.00 N ATOM 606 CA LEU A 40 -18.893 -5.601 1.405 1.00 1.00 C ATOM 607 C LEU A 40 -18.606 -7.022 1.893 1.00 1.00 C ATOM 608 O LEU A 40 -19.278 -7.541 2.763 1.00 1.00 O ATOM 609 CB LEU A 40 -19.339 -5.614 -0.057 1.00 1.00 C ATOM 610 CG LEU A 40 -20.607 -4.773 -0.213 1.00 1.00 C ATOM 611 CD1 LEU A 40 -21.501 -4.963 1.014 1.00 1.00 C ATOM 612 CD2 LEU A 40 -20.225 -3.297 -0.341 1.00 1.00 C ATOM 0 H LEU A 40 -17.089 -4.835 0.562 1.00 1.00 H new ATOM 0 HA LEU A 40 -19.661 -5.187 2.058 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -18.547 -5.218 -0.693 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -19.527 -6.637 -0.382 1.00 1.00 H new ATOM 0 HG LEU A 40 -21.145 -5.090 -1.106 1.00 1.00 H new ATOM 0 HD11 LEU A 40 -22.404 -4.363 0.902 1.00 1.00 H new ATOM 0 HD12 LEU A 40 -21.773 -6.015 1.107 1.00 1.00 H new ATOM 0 HD13 LEU A 40 -20.964 -4.647 1.908 1.00 1.00 H new ATOM 0 HD21 LEU A 40 -21.127 -2.696 -0.452 1.00 1.00 H new ATOM 0 HD22 LEU A 40 -19.687 -2.982 0.553 1.00 1.00 H new ATOM 0 HD23 LEU A 40 -19.588 -3.160 -1.215 1.00 1.00 H new ATOM 624 N LYS A 41 -17.601 -7.652 1.346 1.00 1.00 N ATOM 625 CA LYS A 41 -17.261 -9.036 1.781 1.00 1.00 C ATOM 626 C LYS A 41 -16.770 -9.018 3.229 1.00 1.00 C ATOM 627 O LYS A 41 -16.871 -9.995 3.945 1.00 1.00 O ATOM 628 CB LYS A 41 -16.142 -9.486 0.840 1.00 1.00 C ATOM 629 CG LYS A 41 -14.832 -9.589 1.622 1.00 1.00 C ATOM 630 CD LYS A 41 -14.442 -11.062 1.771 1.00 1.00 C ATOM 631 CE LYS A 41 -15.707 -11.916 1.880 1.00 1.00 C ATOM 632 NZ LYS A 41 -15.702 -12.432 3.276 1.00 1.00 N ATOM 0 H LYS A 41 -17.001 -7.267 0.616 1.00 1.00 H new ATOM 0 HA LYS A 41 -18.118 -9.708 1.740 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -16.390 -10.450 0.397 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -16.034 -8.776 0.020 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -14.043 -9.043 1.104 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -14.945 -9.130 2.604 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -13.848 -11.380 0.914 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -13.822 -11.197 2.657 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -16.601 -11.325 1.680 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -15.696 -12.732 1.157 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -16.175 -13.358 3.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -14.721 -12.534 3.605 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -16.207 -11.765 3.894 1.00 1.00 H new ATOM 645 N ALA A 42 -16.248 -7.906 3.667 1.00 1.00 N ATOM 646 CA ALA A 42 -15.760 -7.815 5.070 1.00 1.00 C ATOM 647 C ALA A 42 -16.940 -7.959 6.032 1.00 1.00 C ATOM 648 O ALA A 42 -16.786 -8.355 7.170 1.00 1.00 O ATOM 649 CB ALA A 42 -15.135 -6.426 5.188 1.00 1.00 C ATOM 0 H ALA A 42 -16.139 -7.056 3.113 1.00 1.00 H new ATOM 0 HA ALA A 42 -15.043 -8.598 5.316 1.00 1.00 H new ATOM 0 HB1 ALA A 42 -14.751 -6.284 6.198 1.00 1.00 H new ATOM 0 HB2 ALA A 42 -14.317 -6.333 4.473 1.00 1.00 H new ATOM 0 HB3 ALA A 42 -15.890 -5.668 4.977 1.00 1.00 H new ATOM 655 N ALA A 43 -18.120 -7.636 5.577 1.00 1.00 N ATOM 656 CA ALA A 43 -19.316 -7.749 6.459 1.00 1.00 C ATOM 657 C ALA A 43 -20.406 -8.579 5.773 1.00 1.00 C ATOM 658 O ALA A 43 -21.490 -8.747 6.297 1.00 1.00 O ATOM 659 CB ALA A 43 -19.790 -6.311 6.669 1.00 1.00 C ATOM 0 H ALA A 43 -18.307 -7.299 4.633 1.00 1.00 H new ATOM 0 HA ALA A 43 -19.087 -8.245 7.402 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -20.671 -6.308 7.311 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -18.996 -5.731 7.140 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -20.041 -5.866 5.706 1.00 1.00 H new ATOM 665 N ASN A 44 -20.131 -9.100 4.608 1.00 1.00 N ATOM 666 CA ASN A 44 -21.159 -9.915 3.900 1.00 1.00 C ATOM 667 C ASN A 44 -20.515 -11.144 3.253 1.00 1.00 C ATOM 668 O ASN A 44 -21.104 -11.795 2.413 1.00 1.00 O ATOM 669 CB ASN A 44 -21.732 -8.986 2.829 1.00 1.00 C ATOM 670 CG ASN A 44 -20.882 -9.084 1.560 1.00 1.00 C ATOM 671 OD1 ASN A 44 -21.402 -9.274 0.479 1.00 1.00 O ATOM 672 ND2 ASN A 44 -19.586 -8.962 1.648 1.00 1.00 N ATOM 0 H ASN A 44 -19.243 -8.997 4.118 1.00 1.00 H new ATOM 0 HA ASN A 44 -21.929 -10.283 4.578 1.00 1.00 H new ATOM 0 HB2 ASN A 44 -22.764 -9.259 2.610 1.00 1.00 H new ATOM 0 HB3 ASN A 44 -21.744 -7.959 3.193 1.00 1.00 H new ATOM 0 HD21 ASN A 44 -19.010 -9.026 0.809 1.00 1.00 H new ATOM 0 HD22 ASN A 44 -19.149 -8.802 2.556 1.00 1.00 H new ATOM 679 N PHE A 45 -19.310 -11.466 3.636 1.00 1.00 N ATOM 680 CA PHE A 45 -18.633 -12.653 3.037 1.00 1.00 C ATOM 681 C PHE A 45 -18.767 -12.618 1.513 1.00 1.00 C ATOM 682 O PHE A 45 -19.772 -12.194 0.979 1.00 1.00 O ATOM 683 CB PHE A 45 -19.370 -13.863 3.614 1.00 1.00 C ATOM 684 CG PHE A 45 -20.455 -13.392 4.553 1.00 1.00 C ATOM 685 CD1 PHE A 45 -20.115 -12.805 5.778 1.00 1.00 C ATOM 686 CD2 PHE A 45 -21.802 -13.542 4.197 1.00 1.00 C ATOM 687 CE1 PHE A 45 -21.122 -12.369 6.648 1.00 1.00 C ATOM 688 CE2 PHE A 45 -22.807 -13.106 5.068 1.00 1.00 C ATOM 689 CZ PHE A 45 -22.468 -12.519 6.294 1.00 1.00 C ATOM 0 H PHE A 45 -18.766 -10.961 4.335 1.00 1.00 H new ATOM 0 HA PHE A 45 -17.567 -12.682 3.263 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -19.804 -14.456 2.809 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -18.671 -14.509 4.145 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -19.077 -12.689 6.052 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -22.064 -13.994 3.252 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -20.860 -11.917 7.593 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -23.845 -13.222 4.795 1.00 1.00 H new ATOM 0 HZ PHE A 45 -23.244 -12.183 6.965 1.00 1.00 H new ATOM 699 N ALA A 46 -17.762 -13.058 0.807 1.00 1.00 N ATOM 700 CA ALA A 46 -17.838 -13.044 -0.682 1.00 1.00 C ATOM 701 C ALA A 46 -18.498 -14.324 -1.196 1.00 1.00 C ATOM 702 O ALA A 46 -17.850 -15.325 -1.426 1.00 1.00 O ATOM 703 CB ALA A 46 -16.387 -12.957 -1.155 1.00 1.00 C ATOM 0 H ALA A 46 -16.893 -13.426 1.195 1.00 1.00 H new ATOM 0 HA ALA A 46 -18.437 -12.213 -1.054 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -16.360 -12.942 -2.245 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -15.932 -12.045 -0.768 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -15.833 -13.822 -0.790 1.00 1.00 H new ATOM 709 N LYS A 47 -19.785 -14.286 -1.382 1.00 1.00 N ATOM 710 CA LYS A 47 -20.514 -15.481 -1.890 1.00 1.00 C ATOM 711 C LYS A 47 -21.515 -15.034 -2.951 1.00 1.00 C ATOM 712 O LYS A 47 -21.468 -13.913 -3.419 1.00 1.00 O ATOM 713 CB LYS A 47 -21.235 -16.060 -0.672 1.00 1.00 C ATOM 714 CG LYS A 47 -20.313 -15.992 0.548 1.00 1.00 C ATOM 715 CD LYS A 47 -21.014 -16.619 1.754 1.00 1.00 C ATOM 716 CE LYS A 47 -22.470 -16.925 1.397 1.00 1.00 C ATOM 717 NZ LYS A 47 -23.014 -15.642 0.872 1.00 1.00 N ATOM 0 H LYS A 47 -20.370 -13.470 -1.202 1.00 1.00 H new ATOM 0 HA LYS A 47 -19.856 -16.220 -2.346 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -22.152 -15.502 -0.480 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -21.525 -17.093 -0.865 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -19.381 -16.518 0.342 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -20.053 -14.956 0.763 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -20.501 -17.534 2.051 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -20.972 -15.940 2.606 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -22.536 -17.717 0.651 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -23.028 -17.263 2.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -23.919 -15.432 1.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -22.339 -14.874 1.064 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -23.164 -15.722 -0.154 1.00 1.00 H new ATOM 730 N ALA A 48 -22.431 -15.879 -3.335 1.00 1.00 N ATOM 731 CA ALA A 48 -23.417 -15.447 -4.361 1.00 1.00 C ATOM 732 C ALA A 48 -24.027 -14.126 -3.906 1.00 1.00 C ATOM 733 O ALA A 48 -24.486 -13.328 -4.698 1.00 1.00 O ATOM 734 CB ALA A 48 -24.473 -16.553 -4.400 1.00 1.00 C ATOM 0 H ALA A 48 -22.538 -16.833 -2.990 1.00 1.00 H new ATOM 0 HA ALA A 48 -22.979 -15.296 -5.348 1.00 1.00 H new ATOM 0 HB1 ALA A 48 -25.236 -16.302 -5.137 1.00 1.00 H new ATOM 0 HB2 ALA A 48 -24.001 -17.497 -4.673 1.00 1.00 H new ATOM 0 HB3 ALA A 48 -24.936 -16.649 -3.418 1.00 1.00 H new ATOM 740 N LYS A 49 -23.997 -13.879 -2.624 1.00 1.00 N ATOM 741 CA LYS A 49 -24.534 -12.597 -2.100 1.00 1.00 C ATOM 742 C LYS A 49 -23.629 -11.449 -2.557 1.00 1.00 C ATOM 743 O LYS A 49 -24.085 -10.474 -3.121 1.00 1.00 O ATOM 744 CB LYS A 49 -24.492 -12.741 -0.579 1.00 1.00 C ATOM 745 CG LYS A 49 -25.876 -13.144 -0.065 1.00 1.00 C ATOM 746 CD LYS A 49 -26.886 -12.042 -0.397 1.00 1.00 C ATOM 747 CE LYS A 49 -27.649 -11.650 0.870 1.00 1.00 C ATOM 748 NZ LYS A 49 -26.605 -11.152 1.809 1.00 1.00 N ATOM 0 H LYS A 49 -23.622 -14.513 -1.918 1.00 1.00 H new ATOM 0 HA LYS A 49 -25.542 -12.383 -2.454 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -23.754 -13.491 -0.295 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -24.183 -11.801 -0.123 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -26.185 -14.084 -0.521 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -25.842 -13.308 1.012 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -26.371 -11.173 -0.807 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -27.582 -12.390 -1.160 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -28.392 -10.880 0.661 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -28.183 -12.503 1.289 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -26.959 -10.310 2.307 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -26.378 -11.894 2.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -25.748 -10.903 1.275 1.00 1.00 H new ATOM 761 N ARG A 50 -22.345 -11.564 -2.324 1.00 1.00 N ATOM 762 CA ARG A 50 -21.414 -10.482 -2.751 1.00 1.00 C ATOM 763 C ARG A 50 -21.471 -10.319 -4.269 1.00 1.00 C ATOM 764 O ARG A 50 -21.217 -9.254 -4.798 1.00 1.00 O ATOM 765 CB ARG A 50 -20.028 -10.954 -2.310 1.00 1.00 C ATOM 766 CG ARG A 50 -19.087 -10.969 -3.517 1.00 1.00 C ATOM 767 CD ARG A 50 -18.417 -12.342 -3.624 1.00 1.00 C ATOM 768 NE ARG A 50 -17.856 -12.387 -5.004 1.00 1.00 N ATOM 769 CZ ARG A 50 -17.855 -13.509 -5.671 1.00 1.00 C ATOM 770 NH1 ARG A 50 -18.342 -14.592 -5.128 1.00 1.00 N ATOM 771 NH2 ARG A 50 -17.365 -13.549 -6.879 1.00 1.00 N ATOM 0 H ARG A 50 -21.905 -12.358 -1.858 1.00 1.00 H new ATOM 0 HA ARG A 50 -21.668 -9.516 -2.315 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -19.636 -10.293 -1.537 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -20.093 -11.951 -1.874 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -19.644 -10.752 -4.429 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -18.331 -10.191 -3.412 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -17.634 -12.459 -2.875 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -19.135 -13.146 -3.463 1.00 1.00 H new ATOM 0 HE ARG A 50 -17.473 -11.542 -5.427 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -18.723 -14.561 -4.182 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -18.341 -15.469 -5.649 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -16.983 -12.704 -7.302 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -17.364 -14.426 -7.400 1.00 1.00 H new ATOM 784 N THR A 51 -21.812 -11.363 -4.974 1.00 1.00 N ATOM 785 CA THR A 51 -21.897 -11.262 -6.457 1.00 1.00 C ATOM 786 C THR A 51 -23.048 -10.334 -6.842 1.00 1.00 C ATOM 787 O THR A 51 -22.968 -9.592 -7.801 1.00 1.00 O ATOM 788 CB THR A 51 -22.166 -12.687 -6.941 1.00 1.00 C ATOM 789 OG1 THR A 51 -21.170 -13.558 -6.422 1.00 1.00 O ATOM 790 CG2 THR A 51 -22.132 -12.725 -8.469 1.00 1.00 C ATOM 0 H THR A 51 -22.035 -12.280 -4.587 1.00 1.00 H new ATOM 0 HA THR A 51 -20.990 -10.854 -6.902 1.00 1.00 H new ATOM 0 HB THR A 51 -23.148 -13.009 -6.594 1.00 1.00 H new ATOM 0 HG1 THR A 51 -21.382 -13.779 -5.491 1.00 1.00 H new ATOM 0 HG21 THR A 51 -22.324 -13.742 -8.812 1.00 1.00 H new ATOM 0 HG22 THR A 51 -22.896 -12.057 -8.867 1.00 1.00 H new ATOM 0 HG23 THR A 51 -21.151 -12.403 -8.819 1.00 1.00 H new ATOM 798 N ARG A 52 -24.114 -10.362 -6.091 1.00 1.00 N ATOM 799 CA ARG A 52 -25.269 -9.472 -6.404 1.00 1.00 C ATOM 800 C ARG A 52 -25.119 -8.155 -5.639 1.00 1.00 C ATOM 801 O ARG A 52 -24.924 -7.106 -6.219 1.00 1.00 O ATOM 802 CB ARG A 52 -26.502 -10.238 -5.924 1.00 1.00 C ATOM 803 CG ARG A 52 -27.754 -9.390 -6.160 1.00 1.00 C ATOM 804 CD ARG A 52 -28.953 -10.306 -6.412 1.00 1.00 C ATOM 805 NE ARG A 52 -28.760 -11.454 -5.482 1.00 1.00 N ATOM 806 CZ ARG A 52 -29.743 -11.846 -4.716 1.00 1.00 C ATOM 807 NH1 ARG A 52 -30.893 -11.231 -4.764 1.00 1.00 N ATOM 808 NH2 ARG A 52 -29.574 -12.851 -3.901 1.00 1.00 N ATOM 0 H ARG A 52 -24.236 -10.962 -5.275 1.00 1.00 H new ATOM 0 HA ARG A 52 -25.337 -9.226 -7.464 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -26.585 -11.185 -6.457 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -26.406 -10.476 -4.865 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -27.944 -8.755 -5.295 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -27.603 -8.729 -7.013 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -29.893 -9.790 -6.214 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -28.985 -10.639 -7.449 1.00 1.00 H new ATOM 0 HE ARG A 52 -27.861 -11.934 -5.443 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -31.024 -10.444 -5.400 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -31.660 -11.537 -4.166 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -28.675 -13.330 -3.862 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -30.341 -13.157 -3.303 1.00 1.00 H new ATOM 821 N ILE A 53 -25.210 -8.206 -4.338 1.00 1.00 N ATOM 822 CA ILE A 53 -25.073 -6.958 -3.534 1.00 1.00 C ATOM 823 C ILE A 53 -23.866 -6.152 -4.021 1.00 1.00 C ATOM 824 O ILE A 53 -23.948 -4.957 -4.226 1.00 1.00 O ATOM 825 CB ILE A 53 -24.857 -7.435 -2.098 1.00 1.00 C ATOM 826 CG1 ILE A 53 -26.208 -7.524 -1.384 1.00 1.00 C ATOM 827 CG2 ILE A 53 -23.957 -6.442 -1.360 1.00 1.00 C ATOM 828 CD1 ILE A 53 -27.322 -7.693 -2.419 1.00 1.00 C ATOM 0 H ILE A 53 -25.373 -9.056 -3.798 1.00 1.00 H new ATOM 0 HA ILE A 53 -25.945 -6.310 -3.619 1.00 1.00 H new ATOM 0 HB ILE A 53 -24.383 -8.417 -2.108 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -26.210 -8.365 -0.691 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -26.379 -6.624 -0.793 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -23.803 -6.782 -0.336 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -22.995 -6.375 -1.869 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -24.431 -5.460 -1.349 1.00 1.00 H new ATOM 0 HD11 ILE A 53 -28.284 -7.756 -1.911 1.00 1.00 H new ATOM 0 HD12 ILE A 53 -27.324 -6.837 -3.094 1.00 1.00 H new ATOM 0 HD13 ILE A 53 -27.153 -8.606 -2.990 1.00 1.00 H new ATOM 840 N LEU A 54 -22.749 -6.798 -4.231 1.00 1.00 N ATOM 841 CA LEU A 54 -21.552 -6.061 -4.727 1.00 1.00 C ATOM 842 C LEU A 54 -21.803 -5.589 -6.162 1.00 1.00 C ATOM 843 O LEU A 54 -21.743 -4.414 -6.464 1.00 1.00 O ATOM 844 CB LEU A 54 -20.411 -7.079 -4.686 1.00 1.00 C ATOM 845 CG LEU A 54 -19.075 -6.356 -4.870 1.00 1.00 C ATOM 846 CD1 LEU A 54 -18.329 -6.312 -3.535 1.00 1.00 C ATOM 847 CD2 LEU A 54 -18.229 -7.107 -5.901 1.00 1.00 C ATOM 0 H LEU A 54 -22.615 -7.798 -4.081 1.00 1.00 H new ATOM 0 HA LEU A 54 -21.323 -5.179 -4.129 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -20.420 -7.613 -3.736 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -20.545 -7.823 -5.471 1.00 1.00 H new ATOM 0 HG LEU A 54 -19.257 -5.339 -5.217 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -17.377 -5.797 -3.667 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -18.931 -5.779 -2.799 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -18.146 -7.329 -3.187 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -17.277 -6.594 -6.034 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -18.048 -8.124 -5.552 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -18.759 -7.139 -6.853 1.00 1.00 H new ATOM 859 N GLU A 55 -22.084 -6.508 -7.043 1.00 1.00 N ATOM 860 CA GLU A 55 -22.342 -6.132 -8.463 1.00 1.00 C ATOM 861 C GLU A 55 -23.415 -5.044 -8.526 1.00 1.00 C ATOM 862 O GLU A 55 -23.278 -4.065 -9.232 1.00 1.00 O ATOM 863 CB GLU A 55 -22.838 -7.414 -9.131 1.00 1.00 C ATOM 864 CG GLU A 55 -22.080 -7.633 -10.443 1.00 1.00 C ATOM 865 CD GLU A 55 -20.577 -7.476 -10.197 1.00 1.00 C ATOM 866 OE1 GLU A 55 -20.183 -6.429 -9.712 1.00 1.00 O ATOM 867 OE2 GLU A 55 -19.848 -8.406 -10.499 1.00 1.00 O ATOM 0 H GLU A 55 -22.146 -7.506 -6.841 1.00 1.00 H new ATOM 0 HA GLU A 55 -21.454 -5.737 -8.956 1.00 1.00 H new ATOM 0 HB2 GLU A 55 -22.688 -8.265 -8.466 1.00 1.00 H new ATOM 0 HB3 GLU A 55 -23.909 -7.345 -9.324 1.00 1.00 H new ATOM 0 HG2 GLU A 55 -22.293 -8.627 -10.837 1.00 1.00 H new ATOM 0 HG3 GLU A 55 -22.414 -6.915 -11.192 1.00 1.00 H new ATOM 874 N LYS A 56 -24.480 -5.202 -7.789 1.00 1.00 N ATOM 875 CA LYS A 56 -25.555 -4.169 -7.804 1.00 1.00 C ATOM 876 C LYS A 56 -25.080 -2.919 -7.062 1.00 1.00 C ATOM 877 O LYS A 56 -25.568 -1.829 -7.282 1.00 1.00 O ATOM 878 CB LYS A 56 -26.736 -4.812 -7.079 1.00 1.00 C ATOM 879 CG LYS A 56 -27.360 -3.797 -6.120 1.00 1.00 C ATOM 880 CD LYS A 56 -27.171 -4.273 -4.678 1.00 1.00 C ATOM 881 CE LYS A 56 -26.598 -3.132 -3.835 1.00 1.00 C ATOM 882 NZ LYS A 56 -27.546 -1.999 -4.027 1.00 1.00 N ATOM 0 H LYS A 56 -24.653 -6.000 -7.178 1.00 1.00 H new ATOM 0 HA LYS A 56 -25.824 -3.860 -8.814 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -27.479 -5.150 -7.801 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -26.403 -5.692 -6.528 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -26.896 -2.820 -6.255 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -28.421 -3.679 -6.339 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -28.124 -4.602 -4.264 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -26.500 -5.131 -4.652 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -26.527 -3.414 -2.785 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -25.593 -2.866 -4.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -27.632 -1.464 -3.139 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -27.190 -1.372 -4.776 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -28.479 -2.369 -4.300 1.00 1.00 H new ATOM 895 N GLU A 57 -24.123 -3.070 -6.187 1.00 1.00 N ATOM 896 CA GLU A 57 -23.607 -1.892 -5.435 1.00 1.00 C ATOM 897 C GLU A 57 -22.438 -1.264 -6.197 1.00 1.00 C ATOM 898 O GLU A 57 -22.385 -0.068 -6.399 1.00 1.00 O ATOM 899 CB GLU A 57 -23.135 -2.452 -4.093 1.00 1.00 C ATOM 900 CG GLU A 57 -22.799 -1.299 -3.146 1.00 1.00 C ATOM 901 CD GLU A 57 -23.142 0.031 -3.819 1.00 1.00 C ATOM 902 OE1 GLU A 57 -24.313 0.372 -3.847 1.00 1.00 O ATOM 903 OE2 GLU A 57 -22.229 0.686 -4.294 1.00 1.00 O ATOM 0 H GLU A 57 -23.676 -3.959 -5.961 1.00 1.00 H new ATOM 0 HA GLU A 57 -24.362 -1.116 -5.305 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -23.911 -3.080 -3.656 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -22.259 -3.083 -4.239 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -23.358 -1.403 -2.216 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -21.741 -1.325 -2.886 1.00 1.00 H new ATOM 910 N VAL A 58 -21.501 -2.066 -6.624 1.00 1.00 N ATOM 911 CA VAL A 58 -20.337 -1.519 -7.377 1.00 1.00 C ATOM 912 C VAL A 58 -20.687 -1.388 -8.861 1.00 1.00 C ATOM 913 O VAL A 58 -20.458 -0.363 -9.473 1.00 1.00 O ATOM 914 CB VAL A 58 -19.218 -2.541 -7.177 1.00 1.00 C ATOM 915 CG1 VAL A 58 -19.334 -3.639 -8.236 1.00 1.00 C ATOM 916 CG2 VAL A 58 -17.863 -1.845 -7.312 1.00 1.00 C ATOM 0 H VAL A 58 -21.491 -3.076 -6.484 1.00 1.00 H new ATOM 0 HA VAL A 58 -20.047 -0.528 -7.029 1.00 1.00 H new ATOM 0 HB VAL A 58 -19.303 -2.983 -6.184 1.00 1.00 H new ATOM 0 HG11 VAL A 58 -18.536 -4.368 -8.093 1.00 1.00 H new ATOM 0 HG12 VAL A 58 -20.300 -4.135 -8.141 1.00 1.00 H new ATOM 0 HG13 VAL A 58 -19.249 -3.197 -9.229 1.00 1.00 H new ATOM 0 HG21 VAL A 58 -17.064 -2.573 -7.170 1.00 1.00 H new ATOM 0 HG22 VAL A 58 -17.778 -1.403 -8.305 1.00 1.00 H new ATOM 0 HG23 VAL A 58 -17.779 -1.062 -6.558 1.00 1.00 H new ATOM 926 N LEU A 59 -21.241 -2.415 -9.447 1.00 1.00 N ATOM 927 CA LEU A 59 -21.602 -2.336 -10.891 1.00 1.00 C ATOM 928 C LEU A 59 -22.130 -0.939 -11.214 1.00 1.00 C ATOM 929 O LEU A 59 -21.741 -0.325 -12.188 1.00 1.00 O ATOM 930 CB LEU A 59 -22.701 -3.381 -11.091 1.00 1.00 C ATOM 931 CG LEU A 59 -23.177 -3.340 -12.543 1.00 1.00 C ATOM 932 CD1 LEU A 59 -24.021 -2.084 -12.767 1.00 1.00 C ATOM 933 CD2 LEU A 59 -21.963 -3.309 -13.474 1.00 1.00 C ATOM 0 H LEU A 59 -21.458 -3.301 -8.991 1.00 1.00 H new ATOM 0 HA LEU A 59 -20.748 -2.521 -11.542 1.00 1.00 H new ATOM 0 HB2 LEU A 59 -22.323 -4.374 -10.848 1.00 1.00 H new ATOM 0 HB3 LEU A 59 -23.534 -3.183 -10.417 1.00 1.00 H new ATOM 0 HG LEU A 59 -23.778 -4.225 -12.755 1.00 1.00 H new ATOM 0 HD11 LEU A 59 -24.361 -2.054 -13.802 1.00 1.00 H new ATOM 0 HD12 LEU A 59 -24.884 -2.102 -12.102 1.00 1.00 H new ATOM 0 HD13 LEU A 59 -23.420 -1.199 -12.557 1.00 1.00 H new ATOM 0 HD21 LEU A 59 -22.300 -3.280 -14.510 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -21.364 -2.423 -13.262 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -21.359 -4.202 -13.314 1.00 1.00 H new ATOM 945 N LYS A 60 -23.003 -0.425 -10.391 1.00 1.00 N ATOM 946 CA LYS A 60 -23.544 0.941 -10.637 1.00 1.00 C ATOM 947 C LYS A 60 -22.606 1.973 -10.014 1.00 1.00 C ATOM 948 O LYS A 60 -22.587 3.127 -10.395 1.00 1.00 O ATOM 949 CB LYS A 60 -24.908 0.962 -9.946 1.00 1.00 C ATOM 950 CG LYS A 60 -26.009 0.720 -10.980 1.00 1.00 C ATOM 951 CD LYS A 60 -27.286 0.267 -10.269 1.00 1.00 C ATOM 952 CE LYS A 60 -27.110 -1.167 -9.764 1.00 1.00 C ATOM 953 NZ LYS A 60 -28.353 -1.459 -8.998 1.00 1.00 N ATOM 0 H LYS A 60 -23.365 -0.892 -9.559 1.00 1.00 H new ATOM 0 HA LYS A 60 -23.632 1.177 -11.698 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -24.947 0.196 -9.172 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -25.063 1.922 -9.453 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -26.199 1.633 -11.545 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -25.690 -0.038 -11.696 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -27.506 0.933 -9.435 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -28.134 0.322 -10.952 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -26.983 -1.865 -10.592 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -26.226 -1.258 -9.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -28.308 -2.426 -8.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -28.444 -0.783 -8.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -29.177 -1.371 -9.627 1.00 1.00 H new ATOM 966 N GLU A 61 -21.821 1.557 -9.058 1.00 1.00 N ATOM 967 CA GLU A 61 -20.870 2.499 -8.404 1.00 1.00 C ATOM 968 C GLU A 61 -19.444 2.222 -8.891 1.00 1.00 C ATOM 969 O GLU A 61 -18.981 1.099 -8.878 1.00 1.00 O ATOM 970 CB GLU A 61 -20.992 2.212 -6.907 1.00 1.00 C ATOM 971 CG GLU A 61 -19.635 2.420 -6.233 1.00 1.00 C ATOM 972 CD GLU A 61 -19.120 3.827 -6.547 1.00 1.00 C ATOM 973 OE1 GLU A 61 -19.869 4.769 -6.344 1.00 1.00 O ATOM 974 OE2 GLU A 61 -17.987 3.938 -6.983 1.00 1.00 O ATOM 0 H GLU A 61 -21.798 0.602 -8.701 1.00 1.00 H new ATOM 0 HA GLU A 61 -21.091 3.541 -8.635 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -21.736 2.871 -6.460 1.00 1.00 H new ATOM 0 HB3 GLU A 61 -21.335 1.189 -6.749 1.00 1.00 H new ATOM 0 HG2 GLU A 61 -19.728 2.287 -5.155 1.00 1.00 H new ATOM 0 HG3 GLU A 61 -18.923 1.673 -6.586 1.00 1.00 H new ATOM 981 N THR A 62 -18.747 3.236 -9.318 1.00 1.00 N ATOM 982 CA THR A 62 -17.352 3.031 -9.806 1.00 1.00 C ATOM 983 C THR A 62 -16.812 1.682 -9.323 1.00 1.00 C ATOM 984 O THR A 62 -15.902 1.618 -8.520 1.00 1.00 O ATOM 985 CB THR A 62 -16.546 4.180 -9.199 1.00 1.00 C ATOM 986 OG1 THR A 62 -17.089 5.419 -9.633 1.00 1.00 O ATOM 987 CG2 THR A 62 -15.087 4.075 -9.646 1.00 1.00 C ATOM 0 H THR A 62 -19.081 4.199 -9.351 1.00 1.00 H new ATOM 0 HA THR A 62 -17.294 3.023 -10.894 1.00 1.00 H new ATOM 0 HB THR A 62 -16.595 4.123 -8.112 1.00 1.00 H new ATOM 0 HG1 THR A 62 -16.574 6.156 -9.243 1.00 1.00 H new ATOM 0 HG21 THR A 62 -14.514 4.895 -9.213 1.00 1.00 H new ATOM 0 HG22 THR A 62 -14.671 3.125 -9.311 1.00 1.00 H new ATOM 0 HG23 THR A 62 -15.035 4.131 -10.733 1.00 1.00 H new ATOM 995 N HIS A 63 -17.362 0.602 -9.809 1.00 1.00 N ATOM 996 CA HIS A 63 -16.878 -0.742 -9.379 1.00 1.00 C ATOM 997 C HIS A 63 -15.536 -1.057 -10.045 1.00 1.00 C ATOM 998 O HIS A 63 -15.105 -0.366 -10.947 1.00 1.00 O ATOM 999 CB HIS A 63 -17.954 -1.720 -9.851 1.00 1.00 C ATOM 1000 CG HIS A 63 -17.311 -2.829 -10.638 1.00 1.00 C ATOM 1001 ND1 HIS A 63 -16.424 -3.725 -10.062 1.00 1.00 N ATOM 1002 CD2 HIS A 63 -17.417 -3.199 -11.956 1.00 1.00 C ATOM 1003 CE1 HIS A 63 -16.034 -4.582 -11.023 1.00 1.00 C ATOM 1004 NE2 HIS A 63 -16.610 -4.307 -12.197 1.00 1.00 N ATOM 0 H HIS A 63 -18.126 0.592 -10.485 1.00 1.00 H new ATOM 0 HA HIS A 63 -16.720 -0.800 -8.302 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -18.489 -2.130 -8.995 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -18.688 -1.201 -10.467 1.00 1.00 H new ATOM 0 HD1 HIS A 63 -16.122 -3.733 -9.088 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -18.033 -2.705 -12.693 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -15.340 -5.394 -10.865 1.00 1.00 H new ATOM 1012 N GLU A 64 -14.872 -2.092 -9.610 1.00 1.00 N ATOM 1013 CA GLU A 64 -13.558 -2.443 -10.222 1.00 1.00 C ATOM 1014 C GLU A 64 -13.396 -3.964 -10.308 1.00 1.00 C ATOM 1015 O GLU A 64 -13.566 -4.673 -9.338 1.00 1.00 O ATOM 1016 CB GLU A 64 -12.511 -1.846 -9.282 1.00 1.00 C ATOM 1017 CG GLU A 64 -12.450 -0.330 -9.482 1.00 1.00 C ATOM 1018 CD GLU A 64 -11.446 0.000 -10.588 1.00 1.00 C ATOM 1019 OE1 GLU A 64 -11.361 -0.768 -11.532 1.00 1.00 O ATOM 1020 OE2 GLU A 64 -10.780 1.015 -10.472 1.00 1.00 O ATOM 0 H GLU A 64 -15.181 -2.709 -8.859 1.00 1.00 H new ATOM 0 HA GLU A 64 -13.463 -2.059 -11.238 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -12.762 -2.077 -8.247 1.00 1.00 H new ATOM 0 HB3 GLU A 64 -11.535 -2.289 -9.479 1.00 1.00 H new ATOM 0 HG2 GLU A 64 -13.436 0.052 -9.746 1.00 1.00 H new ATOM 0 HG3 GLU A 64 -12.157 0.158 -8.553 1.00 1.00 H new ATOM 1027 N LYS A 65 -13.054 -4.467 -11.463 1.00 1.00 N ATOM 1028 CA LYS A 65 -12.866 -5.939 -11.612 1.00 1.00 C ATOM 1029 C LYS A 65 -11.394 -6.250 -11.899 1.00 1.00 C ATOM 1030 O LYS A 65 -10.952 -6.198 -13.030 1.00 1.00 O ATOM 1031 CB LYS A 65 -13.741 -6.335 -12.802 1.00 1.00 C ATOM 1032 CG LYS A 65 -13.132 -5.786 -14.092 1.00 1.00 C ATOM 1033 CD LYS A 65 -14.248 -5.485 -15.095 1.00 1.00 C ATOM 1034 CE LYS A 65 -15.537 -6.177 -14.648 1.00 1.00 C ATOM 1035 NZ LYS A 65 -16.397 -6.208 -15.862 1.00 1.00 N ATOM 0 H LYS A 65 -12.896 -3.922 -12.311 1.00 1.00 H new ATOM 0 HA LYS A 65 -13.140 -6.486 -10.710 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -13.824 -7.420 -12.860 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -14.750 -5.945 -12.670 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -12.563 -4.880 -13.882 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -12.434 -6.509 -14.514 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -14.406 -4.409 -15.167 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -13.962 -5.832 -16.088 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -15.338 -7.183 -14.280 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -16.018 -5.630 -13.837 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -17.301 -6.669 -15.635 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -16.575 -5.236 -16.186 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -15.916 -6.741 -16.615 1.00 1.00 H new ATOM 1048 N VAL A 66 -10.627 -6.564 -10.891 1.00 1.00 N ATOM 1049 CA VAL A 66 -9.185 -6.867 -11.123 1.00 1.00 C ATOM 1050 C VAL A 66 -8.970 -8.370 -11.312 1.00 1.00 C ATOM 1051 O VAL A 66 -9.297 -9.167 -10.454 1.00 1.00 O ATOM 1052 CB VAL A 66 -8.471 -6.381 -9.866 1.00 1.00 C ATOM 1053 CG1 VAL A 66 -9.191 -6.916 -8.627 1.00 1.00 C ATOM 1054 CG2 VAL A 66 -7.030 -6.892 -9.878 1.00 1.00 C ATOM 0 H VAL A 66 -10.934 -6.624 -9.920 1.00 1.00 H new ATOM 0 HA VAL A 66 -8.808 -6.382 -12.024 1.00 1.00 H new ATOM 0 HB VAL A 66 -8.475 -5.291 -9.842 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -8.679 -6.568 -7.730 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -10.220 -6.556 -8.620 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -9.188 -8.006 -8.646 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -6.514 -6.548 -8.982 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -7.031 -7.982 -9.900 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -6.516 -6.511 -10.761 1.00 1.00 H new ATOM 1064 N GLN A 67 -8.417 -8.763 -12.427 1.00 1.00 N ATOM 1065 CA GLN A 67 -8.173 -10.213 -12.672 1.00 1.00 C ATOM 1066 C GLN A 67 -6.852 -10.407 -13.422 1.00 1.00 C ATOM 1067 O GLN A 67 -6.366 -9.512 -14.084 1.00 1.00 O ATOM 1068 CB GLN A 67 -9.351 -10.673 -13.531 1.00 1.00 C ATOM 1069 CG GLN A 67 -10.169 -9.457 -13.968 1.00 1.00 C ATOM 1070 CD GLN A 67 -11.603 -9.595 -13.452 1.00 1.00 C ATOM 1071 OE1 GLN A 67 -11.915 -10.520 -12.729 1.00 1.00 O ATOM 1072 NE2 GLN A 67 -12.494 -8.706 -13.795 1.00 1.00 N ATOM 0 H GLN A 67 -8.123 -8.141 -13.180 1.00 1.00 H new ATOM 0 HA GLN A 67 -8.098 -10.782 -11.745 1.00 1.00 H new ATOM 0 HB2 GLN A 67 -8.988 -11.214 -14.405 1.00 1.00 H new ATOM 0 HB3 GLN A 67 -9.978 -11.363 -12.967 1.00 1.00 H new ATOM 0 HG2 GLN A 67 -9.718 -8.544 -13.580 1.00 1.00 H new ATOM 0 HG3 GLN A 67 -10.168 -9.376 -15.055 1.00 1.00 H new ATOM 0 HE21 GLN A 67 -12.232 -7.929 -14.402 1.00 1.00 H new ATOM 0 HE22 GLN A 67 -13.453 -8.788 -13.456 1.00 1.00 H new ATOM 1081 N GLY A 68 -6.268 -11.571 -13.326 1.00 1.00 N ATOM 1082 CA GLY A 68 -4.981 -11.819 -14.038 1.00 1.00 C ATOM 1083 C GLY A 68 -3.804 -11.536 -13.101 1.00 1.00 C ATOM 1084 O GLY A 68 -2.669 -11.449 -13.526 1.00 1.00 O ATOM 0 H GLY A 68 -6.625 -12.359 -12.787 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -4.941 -12.851 -14.385 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -4.915 -11.183 -14.921 1.00 1.00 H new ATOM 1088 N GLY A 69 -4.061 -11.399 -11.829 1.00 1.00 N ATOM 1089 CA GLY A 69 -2.951 -11.129 -10.870 1.00 1.00 C ATOM 1090 C GLY A 69 -2.726 -9.620 -10.748 1.00 1.00 C ATOM 1091 O GLY A 69 -2.005 -9.159 -9.887 1.00 1.00 O ATOM 0 H GLY A 69 -4.990 -11.462 -11.412 1.00 1.00 H new ATOM 0 HA2 GLY A 69 -3.191 -11.550 -9.894 1.00 1.00 H new ATOM 0 HA3 GLY A 69 -2.037 -11.616 -11.211 1.00 1.00 H new ATOM 1095 N PHE A 70 -3.341 -8.847 -11.600 1.00 1.00 N ATOM 1096 CA PHE A 70 -3.162 -7.367 -11.526 1.00 1.00 C ATOM 1097 C PHE A 70 -4.246 -6.755 -10.635 1.00 1.00 C ATOM 1098 O PHE A 70 -5.316 -6.407 -11.094 1.00 1.00 O ATOM 1099 CB PHE A 70 -3.312 -6.878 -12.967 1.00 1.00 C ATOM 1100 CG PHE A 70 -1.974 -6.945 -13.664 1.00 1.00 C ATOM 1101 CD1 PHE A 70 -0.875 -7.525 -13.017 1.00 1.00 C ATOM 1102 CD2 PHE A 70 -1.831 -6.428 -14.957 1.00 1.00 C ATOM 1103 CE1 PHE A 70 0.364 -7.587 -13.663 1.00 1.00 C ATOM 1104 CE2 PHE A 70 -0.591 -6.490 -15.603 1.00 1.00 C ATOM 1105 CZ PHE A 70 0.507 -7.069 -14.957 1.00 1.00 C ATOM 0 H PHE A 70 -3.959 -9.174 -12.343 1.00 1.00 H new ATOM 0 HA PHE A 70 -2.199 -7.084 -11.100 1.00 1.00 H new ATOM 0 HB2 PHE A 70 -4.041 -7.492 -13.496 1.00 1.00 H new ATOM 0 HB3 PHE A 70 -3.689 -5.855 -12.978 1.00 1.00 H new ATOM 0 HD1 PHE A 70 -0.985 -7.924 -12.019 1.00 1.00 H new ATOM 0 HD2 PHE A 70 -2.678 -5.981 -15.456 1.00 1.00 H new ATOM 0 HE1 PHE A 70 1.211 -8.034 -13.164 1.00 1.00 H new ATOM 0 HE2 PHE A 70 -0.482 -6.091 -16.601 1.00 1.00 H new ATOM 0 HZ PHE A 70 1.464 -7.117 -15.455 1.00 1.00 H new ATOM 1115 N GLY A 71 -3.983 -6.627 -9.363 1.00 1.00 N ATOM 1116 CA GLY A 71 -5.006 -6.045 -8.450 1.00 1.00 C ATOM 1117 C GLY A 71 -6.016 -7.130 -8.076 1.00 1.00 C ATOM 1118 O GLY A 71 -7.148 -6.853 -7.721 1.00 1.00 O ATOM 0 H GLY A 71 -3.107 -6.900 -8.918 1.00 1.00 H new ATOM 0 HA2 GLY A 71 -4.529 -5.650 -7.553 1.00 1.00 H new ATOM 0 HA3 GLY A 71 -5.512 -5.211 -8.935 1.00 1.00 H new ATOM 1122 N LYS A 72 -5.614 -8.370 -8.151 1.00 1.00 N ATOM 1123 CA LYS A 72 -6.553 -9.474 -7.809 1.00 1.00 C ATOM 1124 C LYS A 72 -6.779 -9.491 -6.303 1.00 1.00 C ATOM 1125 O LYS A 72 -7.716 -10.089 -5.810 1.00 1.00 O ATOM 1126 CB LYS A 72 -5.848 -10.752 -8.261 1.00 1.00 C ATOM 1127 CG LYS A 72 -4.773 -11.130 -7.238 1.00 1.00 C ATOM 1128 CD LYS A 72 -5.440 -11.619 -5.951 1.00 1.00 C ATOM 1129 CE LYS A 72 -5.759 -13.111 -6.078 1.00 1.00 C ATOM 1130 NZ LYS A 72 -7.201 -13.165 -6.447 1.00 1.00 N ATOM 0 H LYS A 72 -4.679 -8.665 -8.433 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.526 -9.364 -8.287 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -6.570 -11.562 -8.362 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -5.396 -10.604 -9.242 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -4.128 -11.909 -7.644 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -4.139 -10.269 -7.027 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -4.781 -11.448 -5.100 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -6.354 -11.055 -5.765 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -5.139 -13.584 -6.839 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -5.571 -13.636 -5.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -7.717 -13.735 -5.747 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -7.591 -12.201 -6.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -7.303 -13.596 -7.388 1.00 1.00 H new ATOM 1143 N TYR A 73 -5.945 -8.812 -5.569 1.00 1.00 N ATOM 1144 CA TYR A 73 -6.138 -8.761 -4.099 1.00 1.00 C ATOM 1145 C TYR A 73 -7.395 -7.945 -3.806 1.00 1.00 C ATOM 1146 O TYR A 73 -8.071 -8.152 -2.818 1.00 1.00 O ATOM 1147 CB TYR A 73 -4.894 -8.060 -3.553 1.00 1.00 C ATOM 1148 CG TYR A 73 -3.988 -9.078 -2.903 1.00 1.00 C ATOM 1149 CD1 TYR A 73 -4.294 -10.441 -2.987 1.00 1.00 C ATOM 1150 CD2 TYR A 73 -2.842 -8.659 -2.216 1.00 1.00 C ATOM 1151 CE1 TYR A 73 -3.455 -11.386 -2.384 1.00 1.00 C ATOM 1152 CE2 TYR A 73 -2.003 -9.603 -1.613 1.00 1.00 C ATOM 1153 CZ TYR A 73 -2.309 -10.967 -1.698 1.00 1.00 C ATOM 1154 OH TYR A 73 -1.481 -11.897 -1.104 1.00 1.00 O ATOM 0 H TYR A 73 -5.142 -8.293 -5.923 1.00 1.00 H new ATOM 0 HA TYR A 73 -6.262 -9.744 -3.646 1.00 1.00 H new ATOM 0 HB2 TYR A 73 -4.367 -7.551 -4.360 1.00 1.00 H new ATOM 0 HB3 TYR A 73 -5.181 -7.298 -2.829 1.00 1.00 H new ATOM 0 HD1 TYR A 73 -5.178 -10.764 -3.517 1.00 1.00 H new ATOM 0 HD2 TYR A 73 -2.606 -7.607 -2.151 1.00 1.00 H new ATOM 0 HE1 TYR A 73 -3.692 -12.438 -2.448 1.00 1.00 H new ATOM 0 HE2 TYR A 73 -1.120 -9.280 -1.082 1.00 1.00 H new ATOM 0 HH TYR A 73 -0.731 -11.438 -0.671 1.00 1.00 H new ATOM 1164 N GLN A 74 -7.720 -7.021 -4.676 1.00 1.00 N ATOM 1165 CA GLN A 74 -8.941 -6.196 -4.463 1.00 1.00 C ATOM 1166 C GLN A 74 -10.125 -6.818 -5.208 1.00 1.00 C ATOM 1167 O GLN A 74 -11.201 -6.969 -4.663 1.00 1.00 O ATOM 1168 CB GLN A 74 -8.597 -4.825 -5.044 1.00 1.00 C ATOM 1169 CG GLN A 74 -7.985 -4.999 -6.435 1.00 1.00 C ATOM 1170 CD GLN A 74 -6.515 -4.574 -6.404 1.00 1.00 C ATOM 1171 OE1 GLN A 74 -6.208 -3.402 -6.497 1.00 1.00 O ATOM 1172 NE2 GLN A 74 -5.588 -5.484 -6.275 1.00 1.00 N ATOM 0 H GLN A 74 -7.192 -6.805 -5.521 1.00 1.00 H new ATOM 0 HA GLN A 74 -9.224 -6.130 -3.412 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -9.494 -4.208 -5.104 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -7.897 -4.306 -4.389 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -8.067 -6.039 -6.752 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -8.532 -4.399 -7.162 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -5.846 -6.468 -6.197 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -4.605 -5.211 -6.252 1.00 1.00 H new ATOM 1181 N GLY A 75 -9.937 -7.188 -6.447 1.00 1.00 N ATOM 1182 CA GLY A 75 -11.055 -7.809 -7.212 1.00 1.00 C ATOM 1183 C GLY A 75 -12.102 -6.746 -7.548 1.00 1.00 C ATOM 1184 O GLY A 75 -12.363 -6.458 -8.699 1.00 1.00 O ATOM 0 H GLY A 75 -9.061 -7.087 -6.960 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -10.675 -8.261 -8.128 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -11.509 -8.608 -6.627 1.00 1.00 H new ATOM 1188 N THR A 76 -12.701 -6.162 -6.547 1.00 1.00 N ATOM 1189 CA THR A 76 -13.733 -5.115 -6.801 1.00 1.00 C ATOM 1190 C THR A 76 -13.390 -3.836 -6.031 1.00 1.00 C ATOM 1191 O THR A 76 -13.815 -3.646 -4.910 1.00 1.00 O ATOM 1192 CB THR A 76 -15.041 -5.717 -6.284 1.00 1.00 C ATOM 1193 OG1 THR A 76 -15.328 -6.909 -7.002 1.00 1.00 O ATOM 1194 CG2 THR A 76 -16.178 -4.713 -6.479 1.00 1.00 C ATOM 0 H THR A 76 -12.521 -6.364 -5.564 1.00 1.00 H new ATOM 0 HA THR A 76 -13.796 -4.844 -7.855 1.00 1.00 H new ATOM 0 HB THR A 76 -14.942 -5.948 -5.223 1.00 1.00 H new ATOM 0 HG1 THR A 76 -15.464 -7.646 -6.371 1.00 1.00 H new ATOM 0 HG21 THR A 76 -17.110 -5.142 -6.111 1.00 1.00 H new ATOM 0 HG22 THR A 76 -15.956 -3.800 -5.927 1.00 1.00 H new ATOM 0 HG23 THR A 76 -16.280 -4.480 -7.539 1.00 1.00 H new ATOM 1202 N TRP A 77 -12.628 -2.956 -6.622 1.00 1.00 N ATOM 1203 CA TRP A 77 -12.271 -1.695 -5.911 1.00 1.00 C ATOM 1204 C TRP A 77 -13.388 -0.663 -6.064 1.00 1.00 C ATOM 1205 O TRP A 77 -14.059 -0.601 -7.075 1.00 1.00 O ATOM 1206 CB TRP A 77 -10.993 -1.193 -6.586 1.00 1.00 C ATOM 1207 CG TRP A 77 -10.502 -2.212 -7.561 1.00 1.00 C ATOM 1208 CD1 TRP A 77 -10.466 -3.545 -7.338 1.00 1.00 C ATOM 1209 CD2 TRP A 77 -9.977 -2.006 -8.904 1.00 1.00 C ATOM 1210 NE1 TRP A 77 -9.953 -4.171 -8.460 1.00 1.00 N ATOM 1211 CE2 TRP A 77 -9.636 -3.265 -9.453 1.00 1.00 C ATOM 1212 CE3 TRP A 77 -9.767 -0.860 -9.693 1.00 1.00 C ATOM 1213 CZ2 TRP A 77 -9.105 -3.383 -10.737 1.00 1.00 C ATOM 1214 CZ3 TRP A 77 -9.232 -0.977 -10.987 1.00 1.00 C ATOM 1215 CH2 TRP A 77 -8.902 -2.235 -11.507 1.00 1.00 C ATOM 0 H TRP A 77 -12.239 -3.054 -7.560 1.00 1.00 H new ATOM 0 HA TRP A 77 -12.129 -1.860 -4.843 1.00 1.00 H new ATOM 0 HB2 TRP A 77 -11.187 -0.251 -7.098 1.00 1.00 H new ATOM 0 HB3 TRP A 77 -10.228 -0.996 -5.835 1.00 1.00 H new ATOM 0 HD1 TRP A 77 -10.785 -4.040 -6.433 1.00 1.00 H new ATOM 0 HE1 TRP A 77 -9.824 -5.179 -8.544 1.00 1.00 H new ATOM 0 HE3 TRP A 77 -10.018 0.115 -9.302 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 -8.852 -4.355 -11.134 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 -9.074 -0.091 -11.584 1.00 1.00 H new ATOM 0 HH2 TRP A 77 -8.491 -2.318 -12.502 1.00 1.00 H new ATOM 1226 N VAL A 78 -13.583 0.154 -5.069 1.00 1.00 N ATOM 1227 CA VAL A 78 -14.646 1.196 -5.151 1.00 1.00 C ATOM 1228 C VAL A 78 -14.060 2.558 -4.778 1.00 1.00 C ATOM 1229 O VAL A 78 -13.199 2.650 -3.926 1.00 1.00 O ATOM 1230 CB VAL A 78 -15.703 0.769 -4.132 1.00 1.00 C ATOM 1231 CG1 VAL A 78 -16.989 0.379 -4.864 1.00 1.00 C ATOM 1232 CG2 VAL A 78 -15.186 -0.430 -3.335 1.00 1.00 C ATOM 0 H VAL A 78 -13.051 0.146 -4.199 1.00 1.00 H new ATOM 0 HA VAL A 78 -15.066 1.287 -6.153 1.00 1.00 H new ATOM 0 HB VAL A 78 -15.909 1.596 -3.453 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -17.743 0.074 -4.138 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -17.357 1.233 -5.433 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -16.784 -0.449 -5.543 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -15.939 -0.736 -2.608 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -14.981 -1.257 -4.014 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -14.270 -0.153 -2.814 1.00 1.00 H new ATOM 1242 N PRO A 79 -14.545 3.578 -5.431 1.00 1.00 N ATOM 1243 CA PRO A 79 -14.056 4.948 -5.160 1.00 1.00 C ATOM 1244 C PRO A 79 -14.062 5.220 -3.654 1.00 1.00 C ATOM 1245 O PRO A 79 -15.093 5.188 -3.013 1.00 1.00 O ATOM 1246 CB PRO A 79 -15.061 5.843 -5.881 1.00 1.00 C ATOM 1247 CG PRO A 79 -15.680 4.977 -6.935 1.00 1.00 C ATOM 1248 CD PRO A 79 -15.583 3.548 -6.467 1.00 1.00 C ATOM 0 HA PRO A 79 -13.033 5.115 -5.499 1.00 1.00 H new ATOM 0 HB2 PRO A 79 -15.815 6.222 -5.191 1.00 1.00 H new ATOM 0 HB3 PRO A 79 -14.569 6.709 -6.323 1.00 1.00 H new ATOM 0 HG2 PRO A 79 -16.721 5.257 -7.097 1.00 1.00 H new ATOM 0 HG3 PRO A 79 -15.164 5.104 -7.887 1.00 1.00 H new ATOM 0 HD2 PRO A 79 -16.534 3.194 -6.068 1.00 1.00 H new ATOM 0 HD3 PRO A 79 -15.311 2.879 -7.284 1.00 1.00 H new ATOM 1256 N LEU A 80 -12.918 5.482 -3.082 1.00 1.00 N ATOM 1257 CA LEU A 80 -12.866 5.748 -1.616 1.00 1.00 C ATOM 1258 C LEU A 80 -13.925 6.784 -1.232 1.00 1.00 C ATOM 1259 O LEU A 80 -14.461 6.760 -0.141 1.00 1.00 O ATOM 1260 CB LEU A 80 -11.462 6.298 -1.362 1.00 1.00 C ATOM 1261 CG LEU A 80 -11.430 7.791 -1.691 1.00 1.00 C ATOM 1262 CD1 LEU A 80 -10.307 8.465 -0.901 1.00 1.00 C ATOM 1263 CD2 LEU A 80 -11.180 7.977 -3.189 1.00 1.00 C ATOM 0 H LEU A 80 -12.020 5.523 -3.564 1.00 1.00 H new ATOM 0 HA LEU A 80 -13.065 4.854 -1.026 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -11.181 6.138 -0.321 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -10.735 5.764 -1.974 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.385 8.242 -1.422 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -10.285 9.529 -1.136 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -10.483 8.333 0.167 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -9.352 8.014 -1.170 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -11.157 9.041 -3.425 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -10.225 7.525 -3.457 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -11.980 7.498 -3.754 1.00 1.00 H new ATOM 1275 N ASN A 81 -14.240 7.683 -2.124 1.00 1.00 N ATOM 1276 CA ASN A 81 -15.274 8.711 -1.811 1.00 1.00 C ATOM 1277 C ASN A 81 -16.642 8.041 -1.681 1.00 1.00 C ATOM 1278 O ASN A 81 -17.442 8.392 -0.837 1.00 1.00 O ATOM 1279 CB ASN A 81 -15.255 9.670 -3.001 1.00 1.00 C ATOM 1280 CG ASN A 81 -16.590 10.413 -3.083 1.00 1.00 C ATOM 1281 OD1 ASN A 81 -17.638 9.818 -2.930 1.00 1.00 O ATOM 1282 ND2 ASN A 81 -16.596 11.696 -3.318 1.00 1.00 N ATOM 0 H ASN A 81 -13.827 7.751 -3.054 1.00 1.00 H new ATOM 0 HA ASN A 81 -15.078 9.230 -0.873 1.00 1.00 H new ATOM 0 HB2 ASN A 81 -14.437 10.382 -2.894 1.00 1.00 H new ATOM 0 HB3 ASN A 81 -15.078 9.117 -3.924 1.00 1.00 H new ATOM 0 HD21 ASN A 81 -17.481 12.200 -3.373 1.00 1.00 H new ATOM 0 HD22 ASN A 81 -15.716 12.195 -3.446 1.00 1.00 H new ATOM 1289 N ILE A 82 -16.908 7.066 -2.508 1.00 1.00 N ATOM 1290 CA ILE A 82 -18.215 6.357 -2.431 1.00 1.00 C ATOM 1291 C ILE A 82 -18.038 5.047 -1.663 1.00 1.00 C ATOM 1292 O ILE A 82 -18.917 4.609 -0.946 1.00 1.00 O ATOM 1293 CB ILE A 82 -18.606 6.083 -3.883 1.00 1.00 C ATOM 1294 CG1 ILE A 82 -20.067 5.628 -3.939 1.00 1.00 C ATOM 1295 CG2 ILE A 82 -17.710 4.983 -4.454 1.00 1.00 C ATOM 1296 CD1 ILE A 82 -20.126 4.100 -3.945 1.00 1.00 C ATOM 0 H ILE A 82 -16.275 6.730 -3.234 1.00 1.00 H new ATOM 0 HA ILE A 82 -18.979 6.937 -1.914 1.00 1.00 H new ATOM 0 HB ILE A 82 -18.484 6.993 -4.470 1.00 1.00 H new ATOM 0 HG12 ILE A 82 -20.614 6.020 -3.082 1.00 1.00 H new ATOM 0 HG13 ILE A 82 -20.548 6.025 -4.833 1.00 1.00 H new ATOM 0 HG21 ILE A 82 -17.989 4.788 -5.489 1.00 1.00 H new ATOM 0 HG22 ILE A 82 -16.669 5.304 -4.413 1.00 1.00 H new ATOM 0 HG23 ILE A 82 -17.833 4.073 -3.867 1.00 1.00 H new ATOM 0 HD11 ILE A 82 -21.166 3.776 -3.985 1.00 1.00 H new ATOM 0 HD12 ILE A 82 -19.594 3.719 -4.816 1.00 1.00 H new ATOM 0 HD13 ILE A 82 -19.660 3.714 -3.038 1.00 1.00 H new ATOM 1308 N ALA A 83 -16.900 4.424 -1.804 1.00 1.00 N ATOM 1309 CA ALA A 83 -16.657 3.146 -1.080 1.00 1.00 C ATOM 1310 C ALA A 83 -16.678 3.390 0.429 1.00 1.00 C ATOM 1311 O ALA A 83 -17.456 2.798 1.151 1.00 1.00 O ATOM 1312 CB ALA A 83 -15.269 2.691 -1.532 1.00 1.00 C ATOM 0 H ALA A 83 -16.129 4.745 -2.389 1.00 1.00 H new ATOM 0 HA ALA A 83 -17.418 2.396 -1.294 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -15.016 1.752 -1.040 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -15.267 2.547 -2.612 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -14.533 3.450 -1.266 1.00 1.00 H new ATOM 1318 N LYS A 84 -15.829 4.256 0.917 1.00 1.00 N ATOM 1319 CA LYS A 84 -15.809 4.529 2.381 1.00 1.00 C ATOM 1320 C LYS A 84 -17.197 4.963 2.860 1.00 1.00 C ATOM 1321 O LYS A 84 -17.592 4.689 3.975 1.00 1.00 O ATOM 1322 CB LYS A 84 -14.804 5.668 2.557 1.00 1.00 C ATOM 1323 CG LYS A 84 -13.428 5.091 2.895 1.00 1.00 C ATOM 1324 CD LYS A 84 -12.515 6.211 3.399 1.00 1.00 C ATOM 1325 CE LYS A 84 -11.828 6.886 2.208 1.00 1.00 C ATOM 1326 NZ LYS A 84 -11.210 8.119 2.769 1.00 1.00 N ATOM 0 H LYS A 84 -15.152 4.783 0.366 1.00 1.00 H new ATOM 0 HA LYS A 84 -15.535 3.647 2.960 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -14.747 6.260 1.644 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -15.134 6.338 3.351 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -13.524 4.316 3.655 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -12.992 4.621 2.013 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -13.096 6.943 3.960 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.768 5.806 4.082 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -11.076 6.234 1.765 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -12.545 7.126 1.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -11.500 8.941 2.203 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -11.523 8.248 3.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.174 8.030 2.745 1.00 1.00 H new ATOM 1339 N GLN A 85 -17.943 5.632 2.026 1.00 1.00 N ATOM 1340 CA GLN A 85 -19.303 6.074 2.443 1.00 1.00 C ATOM 1341 C GLN A 85 -20.233 4.864 2.549 1.00 1.00 C ATOM 1342 O GLN A 85 -21.150 4.839 3.345 1.00 1.00 O ATOM 1343 CB GLN A 85 -19.772 7.021 1.339 1.00 1.00 C ATOM 1344 CG GLN A 85 -21.294 7.158 1.395 1.00 1.00 C ATOM 1345 CD GLN A 85 -21.936 6.096 0.501 1.00 1.00 C ATOM 1346 OE1 GLN A 85 -23.138 5.921 0.512 1.00 1.00 O ATOM 1347 NE2 GLN A 85 -21.179 5.374 -0.279 1.00 1.00 N ATOM 0 H GLN A 85 -17.672 5.891 1.078 1.00 1.00 H new ATOM 0 HA GLN A 85 -19.301 6.563 3.417 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -19.304 7.998 1.460 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -19.466 6.640 0.365 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -21.642 7.043 2.421 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -21.592 8.154 1.067 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -20.170 5.521 -0.288 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -21.597 4.663 -0.879 1.00 1.00 H new ATOM 1356 N LEU A 86 -19.995 3.855 1.758 1.00 1.00 N ATOM 1357 CA LEU A 86 -20.857 2.641 1.821 1.00 1.00 C ATOM 1358 C LEU A 86 -20.322 1.683 2.886 1.00 1.00 C ATOM 1359 O LEU A 86 -21.072 1.050 3.602 1.00 1.00 O ATOM 1360 CB LEU A 86 -20.760 2.011 0.435 1.00 1.00 C ATOM 1361 CG LEU A 86 -21.738 0.839 0.337 1.00 1.00 C ATOM 1362 CD1 LEU A 86 -21.560 0.134 -1.008 1.00 1.00 C ATOM 1363 CD2 LEU A 86 -21.460 -0.151 1.471 1.00 1.00 C ATOM 0 H LEU A 86 -19.242 3.818 1.071 1.00 1.00 H new ATOM 0 HA LEU A 86 -21.888 2.875 2.085 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -20.988 2.753 -0.330 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -19.743 1.666 0.251 1.00 1.00 H new ATOM 0 HG LEU A 86 -22.759 1.211 0.419 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -22.257 -0.701 -1.076 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -21.756 0.838 -1.817 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -20.539 -0.239 -1.091 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -22.156 -0.987 1.403 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -20.438 -0.522 1.388 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -21.587 0.350 2.431 1.00 1.00 H new ATOM 1375 N ALA A 87 -19.026 1.574 2.995 1.00 1.00 N ATOM 1376 CA ALA A 87 -18.439 0.658 4.013 1.00 1.00 C ATOM 1377 C ALA A 87 -18.268 1.386 5.349 1.00 1.00 C ATOM 1378 O ALA A 87 -18.823 0.992 6.356 1.00 1.00 O ATOM 1379 CB ALA A 87 -17.078 0.253 3.445 1.00 1.00 C ATOM 0 H ALA A 87 -18.349 2.079 2.423 1.00 1.00 H new ATOM 0 HA ALA A 87 -19.075 -0.206 4.204 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -16.581 -0.424 4.139 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -17.218 -0.248 2.487 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -16.464 1.142 3.303 1.00 1.00 H new ATOM 1385 N GLU A 88 -17.500 2.442 5.370 1.00 1.00 N ATOM 1386 CA GLU A 88 -17.289 3.189 6.637 1.00 1.00 C ATOM 1387 C GLU A 88 -18.550 3.148 7.499 1.00 1.00 C ATOM 1388 O GLU A 88 -18.491 3.284 8.705 1.00 1.00 O ATOM 1389 CB GLU A 88 -16.977 4.614 6.197 1.00 1.00 C ATOM 1390 CG GLU A 88 -18.221 5.489 6.360 1.00 1.00 C ATOM 1391 CD GLU A 88 -17.808 6.879 6.844 1.00 1.00 C ATOM 1392 OE1 GLU A 88 -17.245 7.618 6.053 1.00 1.00 O ATOM 1393 OE2 GLU A 88 -18.062 7.183 7.998 1.00 1.00 O ATOM 0 H GLU A 88 -17.009 2.819 4.559 1.00 1.00 H new ATOM 0 HA GLU A 88 -16.489 2.763 7.243 1.00 1.00 H new ATOM 0 HB2 GLU A 88 -16.157 5.017 6.791 1.00 1.00 H new ATOM 0 HB3 GLU A 88 -16.650 4.620 5.157 1.00 1.00 H new ATOM 0 HG2 GLU A 88 -18.751 5.566 5.411 1.00 1.00 H new ATOM 0 HG3 GLU A 88 -18.908 5.033 7.073 1.00 1.00 H new ATOM 1400 N LYS A 89 -19.690 2.943 6.898 1.00 1.00 N ATOM 1401 CA LYS A 89 -20.943 2.872 7.697 1.00 1.00 C ATOM 1402 C LYS A 89 -20.947 1.589 8.531 1.00 1.00 C ATOM 1403 O LYS A 89 -20.344 1.514 9.582 1.00 1.00 O ATOM 1404 CB LYS A 89 -22.072 2.849 6.665 1.00 1.00 C ATOM 1405 CG LYS A 89 -23.422 2.803 7.384 1.00 1.00 C ATOM 1406 CD LYS A 89 -24.530 2.514 6.369 1.00 1.00 C ATOM 1407 CE LYS A 89 -24.799 3.767 5.534 1.00 1.00 C ATOM 1408 NZ LYS A 89 -26.204 4.147 5.851 1.00 1.00 N ATOM 0 H LYS A 89 -19.807 2.822 5.892 1.00 1.00 H new ATOM 0 HA LYS A 89 -21.048 3.708 8.389 1.00 1.00 H new ATOM 0 HB2 LYS A 89 -22.016 3.733 6.030 1.00 1.00 H new ATOM 0 HB3 LYS A 89 -21.966 1.982 6.013 1.00 1.00 H new ATOM 0 HG2 LYS A 89 -23.410 2.032 8.155 1.00 1.00 H new ATOM 0 HG3 LYS A 89 -23.612 3.752 7.885 1.00 1.00 H new ATOM 0 HD2 LYS A 89 -24.237 1.688 5.721 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -25.439 2.206 6.885 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -24.106 4.568 5.790 1.00 1.00 H new ATOM 0 HE3 LYS A 89 -24.675 3.566 4.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 -26.462 5.000 5.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 -26.842 3.368 5.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 -26.290 4.339 6.869 1.00 1.00 H new ATOM 1421 N PHE A 90 -21.620 0.576 8.058 1.00 1.00 N ATOM 1422 CA PHE A 90 -21.662 -0.712 8.808 1.00 1.00 C ATOM 1423 C PHE A 90 -20.866 -1.786 8.059 1.00 1.00 C ATOM 1424 O PHE A 90 -20.860 -2.942 8.433 1.00 1.00 O ATOM 1425 CB PHE A 90 -23.144 -1.087 8.870 1.00 1.00 C ATOM 1426 CG PHE A 90 -23.557 -1.271 10.310 1.00 1.00 C ATOM 1427 CD1 PHE A 90 -23.451 -2.530 10.913 1.00 1.00 C ATOM 1428 CD2 PHE A 90 -24.047 -0.184 11.042 1.00 1.00 C ATOM 1429 CE1 PHE A 90 -23.836 -2.701 12.248 1.00 1.00 C ATOM 1430 CE2 PHE A 90 -24.432 -0.355 12.378 1.00 1.00 C ATOM 1431 CZ PHE A 90 -24.326 -1.614 12.981 1.00 1.00 C ATOM 0 H PHE A 90 -22.144 0.585 7.183 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.222 -0.626 9.802 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -23.747 -0.307 8.404 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -23.322 -2.005 8.310 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -23.072 -3.369 10.348 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -24.128 0.787 10.577 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -23.755 -3.673 12.713 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -24.811 0.484 12.943 1.00 1.00 H new ATOM 0 HZ PHE A 90 -24.622 -1.746 14.011 1.00 1.00 H new ATOM 1441 N SER A 91 -20.203 -1.415 6.997 1.00 1.00 N ATOM 1442 CA SER A 91 -19.418 -2.414 6.218 1.00 1.00 C ATOM 1443 C SER A 91 -18.147 -2.812 6.969 1.00 1.00 C ATOM 1444 O SER A 91 -18.109 -3.813 7.657 1.00 1.00 O ATOM 1445 CB SER A 91 -19.066 -1.709 4.910 1.00 1.00 C ATOM 1446 OG SER A 91 -20.252 -1.197 4.317 1.00 1.00 O ATOM 0 H SER A 91 -20.171 -0.462 6.635 1.00 1.00 H new ATOM 0 HA SER A 91 -19.982 -3.332 6.052 1.00 1.00 H new ATOM 0 HB2 SER A 91 -18.361 -0.899 5.099 1.00 1.00 H new ATOM 0 HB3 SER A 91 -18.577 -2.405 4.229 1.00 1.00 H new ATOM 0 HG SER A 91 -20.431 -0.299 4.666 1.00 1.00 H new ATOM 1452 N VAL A 92 -17.104 -2.032 6.853 1.00 1.00 N ATOM 1453 CA VAL A 92 -15.839 -2.363 7.570 1.00 1.00 C ATOM 1454 C VAL A 92 -15.472 -1.225 8.525 1.00 1.00 C ATOM 1455 O VAL A 92 -14.402 -1.202 9.101 1.00 1.00 O ATOM 1456 CB VAL A 92 -14.786 -2.504 6.470 1.00 1.00 C ATOM 1457 CG1 VAL A 92 -14.712 -3.963 6.018 1.00 1.00 C ATOM 1458 CG2 VAL A 92 -15.171 -1.621 5.282 1.00 1.00 C ATOM 0 H VAL A 92 -17.074 -1.180 6.293 1.00 1.00 H new ATOM 0 HA VAL A 92 -15.922 -3.270 8.168 1.00 1.00 H new ATOM 0 HB VAL A 92 -13.814 -2.194 6.855 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -13.961 -4.063 5.234 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -14.439 -4.593 6.865 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -15.683 -4.274 5.633 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -14.421 -1.720 4.497 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -16.142 -1.932 4.898 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -15.224 -0.581 5.604 1.00 1.00 H new ATOM 1468 N TYR A 93 -16.356 -0.280 8.693 1.00 1.00 N ATOM 1469 CA TYR A 93 -16.069 0.862 9.607 1.00 1.00 C ATOM 1470 C TYR A 93 -15.206 0.398 10.782 1.00 1.00 C ATOM 1471 O TYR A 93 -14.441 1.159 11.342 1.00 1.00 O ATOM 1472 CB TYR A 93 -17.439 1.333 10.094 1.00 1.00 C ATOM 1473 CG TYR A 93 -17.329 1.819 11.519 1.00 1.00 C ATOM 1474 CD1 TYR A 93 -16.764 0.995 12.499 1.00 1.00 C ATOM 1475 CD2 TYR A 93 -17.794 3.095 11.861 1.00 1.00 C ATOM 1476 CE1 TYR A 93 -16.662 1.447 13.820 1.00 1.00 C ATOM 1477 CE2 TYR A 93 -17.692 3.547 13.182 1.00 1.00 C ATOM 1478 CZ TYR A 93 -17.126 2.723 14.162 1.00 1.00 C ATOM 1479 OH TYR A 93 -17.025 3.169 15.464 1.00 1.00 O ATOM 0 H TYR A 93 -17.267 -0.249 8.235 1.00 1.00 H new ATOM 0 HA TYR A 93 -15.518 1.661 9.110 1.00 1.00 H new ATOM 0 HB2 TYR A 93 -17.809 2.134 9.453 1.00 1.00 H new ATOM 0 HB3 TYR A 93 -18.159 0.517 10.032 1.00 1.00 H new ATOM 0 HD1 TYR A 93 -16.407 0.010 12.236 1.00 1.00 H new ATOM 0 HD2 TYR A 93 -18.231 3.731 11.105 1.00 1.00 H new ATOM 0 HE1 TYR A 93 -16.225 0.811 14.576 1.00 1.00 H new ATOM 0 HE2 TYR A 93 -18.050 4.531 13.445 1.00 1.00 H new ATOM 0 HH TYR A 93 -17.393 4.075 15.529 1.00 1.00 H new ATOM 1489 N ASP A 94 -15.315 -0.846 11.156 1.00 1.00 N ATOM 1490 CA ASP A 94 -14.490 -1.357 12.288 1.00 1.00 C ATOM 1491 C ASP A 94 -13.174 -1.938 11.764 1.00 1.00 C ATOM 1492 O ASP A 94 -12.099 -1.476 12.097 1.00 1.00 O ATOM 1493 CB ASP A 94 -15.340 -2.451 12.935 1.00 1.00 C ATOM 1494 CG ASP A 94 -15.878 -1.954 14.278 1.00 1.00 C ATOM 1495 OD1 ASP A 94 -15.089 -1.451 15.060 1.00 1.00 O ATOM 1496 OD2 ASP A 94 -17.070 -2.085 14.501 1.00 1.00 O ATOM 0 H ASP A 94 -15.938 -1.531 10.728 1.00 1.00 H new ATOM 0 HA ASP A 94 -14.229 -0.571 12.997 1.00 1.00 H new ATOM 0 HB2 ASP A 94 -16.167 -2.720 12.278 1.00 1.00 H new ATOM 0 HB3 ASP A 94 -14.743 -3.351 13.081 1.00 1.00 H new ATOM 1501 N GLN A 95 -13.251 -2.949 10.942 1.00 1.00 N ATOM 1502 CA GLN A 95 -12.008 -3.565 10.395 1.00 1.00 C ATOM 1503 C GLN A 95 -11.265 -2.565 9.508 1.00 1.00 C ATOM 1504 O GLN A 95 -10.054 -2.585 9.414 1.00 1.00 O ATOM 1505 CB GLN A 95 -12.486 -4.760 9.572 1.00 1.00 C ATOM 1506 CG GLN A 95 -11.938 -6.052 10.181 1.00 1.00 C ATOM 1507 CD GLN A 95 -12.833 -6.491 11.340 1.00 1.00 C ATOM 1508 OE1 GLN A 95 -12.719 -7.600 11.826 1.00 1.00 O ATOM 1509 NE2 GLN A 95 -13.728 -5.664 11.808 1.00 1.00 N ATOM 0 H GLN A 95 -14.122 -3.376 10.625 1.00 1.00 H new ATOM 0 HA GLN A 95 -11.316 -3.863 11.183 1.00 1.00 H new ATOM 0 HB2 GLN A 95 -13.575 -4.789 9.552 1.00 1.00 H new ATOM 0 HB3 GLN A 95 -12.151 -4.661 8.540 1.00 1.00 H new ATOM 0 HG2 GLN A 95 -11.897 -6.834 9.423 1.00 1.00 H new ATOM 0 HG3 GLN A 95 -10.919 -5.896 10.534 1.00 1.00 H new ATOM 0 HE21 GLN A 95 -13.825 -4.734 11.401 1.00 1.00 H new ATOM 0 HE22 GLN A 95 -14.331 -5.948 12.580 1.00 1.00 H new ATOM 1518 N LEU A 96 -11.979 -1.689 8.856 1.00 1.00 N ATOM 1519 CA LEU A 96 -11.306 -0.691 7.978 1.00 1.00 C ATOM 1520 C LEU A 96 -10.696 0.427 8.822 1.00 1.00 C ATOM 1521 O LEU A 96 -10.383 1.490 8.324 1.00 1.00 O ATOM 1522 CB LEU A 96 -12.411 -0.139 7.080 1.00 1.00 C ATOM 1523 CG LEU A 96 -12.329 -0.799 5.703 1.00 1.00 C ATOM 1524 CD1 LEU A 96 -12.292 0.281 4.621 1.00 1.00 C ATOM 1525 CD2 LEU A 96 -11.059 -1.648 5.619 1.00 1.00 C ATOM 0 H LEU A 96 -12.996 -1.621 8.893 1.00 1.00 H new ATOM 0 HA LEU A 96 -10.495 -1.133 7.399 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -13.386 -0.328 7.528 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -12.309 0.942 6.983 1.00 1.00 H new ATOM 0 HG LEU A 96 -13.202 -1.434 5.553 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -12.234 -0.189 3.639 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -13.197 0.886 4.680 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -11.419 0.917 4.771 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -11.000 -2.119 4.638 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -10.186 -1.013 5.770 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -11.085 -2.418 6.390 1.00 1.00 H new ATOM 1537 N LYS A 97 -10.517 0.200 10.096 1.00 1.00 N ATOM 1538 CA LYS A 97 -9.917 1.262 10.951 1.00 1.00 C ATOM 1539 C LYS A 97 -8.609 1.739 10.318 1.00 1.00 C ATOM 1540 O LYS A 97 -8.346 2.924 10.244 1.00 1.00 O ATOM 1541 CB LYS A 97 -9.651 0.588 12.298 1.00 1.00 C ATOM 1542 CG LYS A 97 -9.441 1.657 13.372 1.00 1.00 C ATOM 1543 CD LYS A 97 -9.475 3.043 12.726 1.00 1.00 C ATOM 1544 CE LYS A 97 -9.260 4.112 13.800 1.00 1.00 C ATOM 1545 NZ LYS A 97 -9.787 5.370 13.200 1.00 1.00 N ATOM 0 H LYS A 97 -10.758 -0.667 10.577 1.00 1.00 H new ATOM 0 HA LYS A 97 -10.564 2.132 11.062 1.00 1.00 H new ATOM 0 HB2 LYS A 97 -10.490 -0.053 12.568 1.00 1.00 H new ATOM 0 HB3 LYS A 97 -8.771 -0.051 12.229 1.00 1.00 H new ATOM 0 HG2 LYS A 97 -10.217 1.580 14.133 1.00 1.00 H new ATOM 0 HG3 LYS A 97 -8.486 1.501 13.873 1.00 1.00 H new ATOM 0 HD2 LYS A 97 -8.701 3.119 11.962 1.00 1.00 H new ATOM 0 HD3 LYS A 97 -10.432 3.200 12.228 1.00 1.00 H new ATOM 0 HE2 LYS A 97 -9.789 3.861 14.719 1.00 1.00 H new ATOM 0 HE3 LYS A 97 -8.205 4.208 14.056 1.00 1.00 H new ATOM 0 HZ1 LYS A 97 -9.467 6.184 13.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 97 -9.435 5.464 12.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 97 -10.827 5.342 13.192 1.00 1.00 H new ATOM 1558 N PRO A 98 -7.838 0.788 9.866 1.00 1.00 N ATOM 1559 CA PRO A 98 -6.546 1.096 9.213 1.00 1.00 C ATOM 1560 C PRO A 98 -6.793 1.749 7.850 1.00 1.00 C ATOM 1561 O PRO A 98 -6.226 2.775 7.530 1.00 1.00 O ATOM 1562 CB PRO A 98 -5.870 -0.268 9.042 1.00 1.00 C ATOM 1563 CG PRO A 98 -6.728 -1.258 9.774 1.00 1.00 C ATOM 1564 CD PRO A 98 -8.095 -0.648 9.925 1.00 1.00 C ATOM 0 HA PRO A 98 -5.935 1.789 9.791 1.00 1.00 H new ATOM 0 HB2 PRO A 98 -5.786 -0.531 7.988 1.00 1.00 H new ATOM 0 HB3 PRO A 98 -4.859 -0.254 9.448 1.00 1.00 H new ATOM 0 HG2 PRO A 98 -6.786 -2.197 9.223 1.00 1.00 H new ATOM 0 HG3 PRO A 98 -6.301 -1.488 10.750 1.00 1.00 H new ATOM 0 HD2 PRO A 98 -8.767 -0.968 9.129 1.00 1.00 H new ATOM 0 HD3 PRO A 98 -8.560 -0.934 10.869 1.00 1.00 H new ATOM 1572 N LEU A 99 -7.639 1.162 7.044 1.00 1.00 N ATOM 1573 CA LEU A 99 -7.921 1.749 5.702 1.00 1.00 C ATOM 1574 C LEU A 99 -8.257 3.234 5.841 1.00 1.00 C ATOM 1575 O LEU A 99 -7.820 4.055 5.058 1.00 1.00 O ATOM 1576 CB LEU A 99 -9.128 0.972 5.175 1.00 1.00 C ATOM 1577 CG LEU A 99 -9.033 0.854 3.653 1.00 1.00 C ATOM 1578 CD1 LEU A 99 -10.430 0.637 3.070 1.00 1.00 C ATOM 1579 CD2 LEU A 99 -8.437 2.142 3.079 1.00 1.00 C ATOM 0 H LEU A 99 -8.146 0.303 7.257 1.00 1.00 H new ATOM 0 HA LEU A 99 -7.067 1.676 5.029 1.00 1.00 H new ATOM 0 HB2 LEU A 99 -9.161 -0.020 5.626 1.00 1.00 H new ATOM 0 HB3 LEU A 99 -10.051 1.480 5.454 1.00 1.00 H new ATOM 0 HG LEU A 99 -8.395 0.009 3.393 1.00 1.00 H new ATOM 0 HD11 LEU A 99 -10.363 0.553 1.985 1.00 1.00 H new ATOM 0 HD12 LEU A 99 -10.857 -0.279 3.479 1.00 1.00 H new ATOM 0 HD13 LEU A 99 -11.068 1.482 3.329 1.00 1.00 H new ATOM 0 HD21 LEU A 99 -8.369 2.059 1.994 1.00 1.00 H new ATOM 0 HD22 LEU A 99 -9.076 2.986 3.339 1.00 1.00 H new ATOM 0 HD23 LEU A 99 -7.442 2.299 3.494 1.00 1.00 H new ATOM 1591 N PHE A 100 -9.029 3.587 6.831 1.00 1.00 N ATOM 1592 CA PHE A 100 -9.388 5.021 7.020 1.00 1.00 C ATOM 1593 C PHE A 100 -8.201 5.785 7.613 1.00 1.00 C ATOM 1594 O PHE A 100 -8.010 6.956 7.352 1.00 1.00 O ATOM 1595 CB PHE A 100 -10.563 5.011 7.998 1.00 1.00 C ATOM 1596 CG PHE A 100 -11.845 5.276 7.246 1.00 1.00 C ATOM 1597 CD1 PHE A 100 -12.376 4.295 6.401 1.00 1.00 C ATOM 1598 CD2 PHE A 100 -12.503 6.503 7.395 1.00 1.00 C ATOM 1599 CE1 PHE A 100 -13.566 4.539 5.705 1.00 1.00 C ATOM 1600 CE2 PHE A 100 -13.693 6.749 6.698 1.00 1.00 C ATOM 1601 CZ PHE A 100 -14.224 5.767 5.853 1.00 1.00 C ATOM 0 H PHE A 100 -9.427 2.945 7.517 1.00 1.00 H new ATOM 0 HA PHE A 100 -9.646 5.511 6.081 1.00 1.00 H new ATOM 0 HB2 PHE A 100 -10.619 4.048 8.506 1.00 1.00 H new ATOM 0 HB3 PHE A 100 -10.416 5.769 8.767 1.00 1.00 H new ATOM 0 HD1 PHE A 100 -11.868 3.349 6.286 1.00 1.00 H new ATOM 0 HD2 PHE A 100 -12.093 7.260 8.047 1.00 1.00 H new ATOM 0 HE1 PHE A 100 -13.977 3.781 5.054 1.00 1.00 H new ATOM 0 HE2 PHE A 100 -14.200 7.695 6.812 1.00 1.00 H new ATOM 0 HZ PHE A 100 -15.141 5.956 5.315 1.00 1.00 H new ATOM 1611 N ASP A 101 -7.402 5.129 8.410 1.00 1.00 N ATOM 1612 CA ASP A 101 -6.226 5.817 9.018 1.00 1.00 C ATOM 1613 C ASP A 101 -5.002 5.672 8.112 1.00 1.00 C ATOM 1614 O ASP A 101 -4.319 6.633 7.813 1.00 1.00 O ATOM 1615 CB ASP A 101 -5.996 5.105 10.351 1.00 1.00 C ATOM 1616 CG ASP A 101 -7.044 5.567 11.365 1.00 1.00 C ATOM 1617 OD1 ASP A 101 -8.028 6.154 10.944 1.00 1.00 O ATOM 1618 OD2 ASP A 101 -6.847 5.326 12.544 1.00 1.00 O ATOM 0 H ASP A 101 -7.512 4.148 8.666 1.00 1.00 H new ATOM 0 HA ASP A 101 -6.396 6.885 9.152 1.00 1.00 H new ATOM 0 HB2 ASP A 101 -6.058 4.025 10.214 1.00 1.00 H new ATOM 0 HB3 ASP A 101 -4.995 5.322 10.723 1.00 1.00 H new ATOM 1805 N LYS A 116 9.723 0.021 2.287 1.00 1.00 N ATOM 1806 CA LYS A 116 10.986 -0.323 1.573 1.00 1.00 C ATOM 1807 C LYS A 116 12.038 -0.815 2.571 1.00 1.00 C ATOM 1808 O LYS A 116 11.988 -0.503 3.744 1.00 1.00 O ATOM 1809 CB LYS A 116 11.438 0.980 0.913 1.00 1.00 C ATOM 1810 CG LYS A 116 11.308 2.131 1.912 1.00 1.00 C ATOM 1811 CD LYS A 116 11.726 3.441 1.240 1.00 1.00 C ATOM 1812 CE LYS A 116 11.960 4.512 2.309 1.00 1.00 C ATOM 1813 NZ LYS A 116 13.437 4.553 2.495 1.00 1.00 N ATOM 0 HA LYS A 116 10.844 -1.119 0.842 1.00 1.00 H new ATOM 0 HB2 LYS A 116 12.471 0.891 0.578 1.00 1.00 H new ATOM 0 HB3 LYS A 116 10.832 1.181 0.029 1.00 1.00 H new ATOM 0 HG2 LYS A 116 10.280 2.204 2.267 1.00 1.00 H new ATOM 0 HG3 LYS A 116 11.934 1.942 2.784 1.00 1.00 H new ATOM 0 HD2 LYS A 116 12.635 3.289 0.657 1.00 1.00 H new ATOM 0 HD3 LYS A 116 10.953 3.769 0.545 1.00 1.00 H new ATOM 0 HE2 LYS A 116 11.575 5.480 1.989 1.00 1.00 H new ATOM 0 HE3 LYS A 116 11.452 4.259 3.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 116 13.677 5.265 3.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 116 13.774 3.620 2.806 1.00 1.00 H new ATOM 0 HZ3 LYS A 116 13.893 4.803 1.595 1.00 1.00 H new ATOM 1826 N HIS A 117 12.990 -1.581 2.115 1.00 1.00 N ATOM 1827 CA HIS A 117 14.044 -2.091 3.038 1.00 1.00 C ATOM 1828 C HIS A 117 15.400 -1.473 2.691 1.00 1.00 C ATOM 1829 O HIS A 117 15.706 -1.231 1.540 1.00 1.00 O ATOM 1830 CB HIS A 117 14.069 -3.604 2.811 1.00 1.00 C ATOM 1831 CG HIS A 117 12.661 -4.132 2.799 1.00 1.00 C ATOM 1832 ND1 HIS A 117 12.322 -5.344 3.381 1.00 1.00 N ATOM 1833 CD2 HIS A 117 11.495 -3.628 2.278 1.00 1.00 C ATOM 1834 CE1 HIS A 117 11.001 -5.526 3.199 1.00 1.00 C ATOM 1835 NE2 HIS A 117 10.449 -4.509 2.532 1.00 1.00 N ATOM 0 H HIS A 117 13.084 -1.876 1.143 1.00 1.00 H new ATOM 0 HA HIS A 117 13.839 -1.837 4.078 1.00 1.00 H new ATOM 0 HB2 HIS A 117 14.563 -3.833 1.867 1.00 1.00 H new ATOM 0 HB3 HIS A 117 14.645 -4.091 3.598 1.00 1.00 H new ATOM 0 HD2 HIS A 117 11.404 -2.690 1.751 1.00 1.00 H new ATOM 0 HE1 HIS A 117 10.454 -6.389 3.549 1.00 1.00 H new ATOM 0 HE2 HIS A 117 9.470 -4.401 2.266 1.00 1.00 H new ATOM 1843 N HIS A 118 16.216 -1.218 3.677 1.00 1.00 N ATOM 1844 CA HIS A 118 17.553 -0.616 3.403 1.00 1.00 C ATOM 1845 C HIS A 118 18.516 -1.686 2.882 1.00 1.00 C ATOM 1846 O HIS A 118 18.450 -2.836 3.269 1.00 1.00 O ATOM 1847 CB HIS A 118 18.028 -0.078 4.753 1.00 1.00 C ATOM 1848 CG HIS A 118 17.759 -1.099 5.824 1.00 1.00 C ATOM 1849 ND1 HIS A 118 18.761 -1.897 6.353 1.00 1.00 N ATOM 1850 CD2 HIS A 118 16.606 -1.464 6.474 1.00 1.00 C ATOM 1851 CE1 HIS A 118 18.197 -2.696 7.278 1.00 1.00 C ATOM 1852 NE2 HIS A 118 16.886 -2.472 7.393 1.00 1.00 N ATOM 0 H HIS A 118 16.015 -1.400 4.660 1.00 1.00 H new ATOM 0 HA HIS A 118 17.508 0.167 2.646 1.00 1.00 H new ATOM 0 HB2 HIS A 118 19.093 0.149 4.711 1.00 1.00 H new ATOM 0 HB3 HIS A 118 17.513 0.854 4.987 1.00 1.00 H new ATOM 0 HD2 HIS A 118 15.631 -1.035 6.299 1.00 1.00 H new ATOM 0 HE1 HIS A 118 18.739 -3.429 7.857 1.00 1.00 H new ATOM 0 HE2 HIS A 118 16.230 -2.939 8.019 1.00 1.00 H new ATOM 1860 N HIS A 119 19.409 -1.317 2.006 1.00 1.00 N ATOM 1861 CA HIS A 119 20.375 -2.315 1.461 1.00 1.00 C ATOM 1862 C HIS A 119 21.616 -2.394 2.354 1.00 1.00 C ATOM 1863 O HIS A 119 22.521 -1.591 2.250 1.00 1.00 O ATOM 1864 CB HIS A 119 20.746 -1.790 0.073 1.00 1.00 C ATOM 1865 CG HIS A 119 20.655 -2.909 -0.927 1.00 1.00 C ATOM 1866 ND1 HIS A 119 20.847 -4.235 -0.572 1.00 1.00 N ATOM 1867 CD2 HIS A 119 20.394 -2.916 -2.275 1.00 1.00 C ATOM 1868 CE1 HIS A 119 20.699 -4.979 -1.684 1.00 1.00 C ATOM 1869 NE2 HIS A 119 20.422 -4.224 -2.751 1.00 1.00 N ATOM 0 H HIS A 119 19.513 -0.369 1.644 1.00 1.00 H new ATOM 0 HA HIS A 119 19.951 -3.318 1.418 1.00 1.00 H new ATOM 0 HB2 HIS A 119 20.076 -0.978 -0.212 1.00 1.00 H new ATOM 0 HB3 HIS A 119 21.756 -1.380 0.085 1.00 1.00 H new ATOM 0 HD2 HIS A 119 20.197 -2.040 -2.875 1.00 1.00 H new ATOM 0 HE1 HIS A 119 20.793 -6.055 -1.710 1.00 1.00 H new ATOM 0 HE2 HIS A 119 20.265 -4.538 -3.709 1.00 1.00 H new ATOM 1877 N ALA A 120 21.666 -3.360 3.232 1.00 1.00 N ATOM 1878 CA ALA A 120 22.848 -3.490 4.130 1.00 1.00 C ATOM 1879 C ALA A 120 23.916 -4.370 3.474 1.00 1.00 C ATOM 1880 O ALA A 120 23.669 -5.025 2.482 1.00 1.00 O ATOM 1881 CB ALA A 120 22.310 -4.155 5.398 1.00 1.00 C ATOM 0 H ALA A 120 20.940 -4.064 3.365 1.00 1.00 H new ATOM 0 HA ALA A 120 23.315 -2.528 4.341 1.00 1.00 H new ATOM 0 HB1 ALA A 120 23.122 -4.286 6.113 1.00 1.00 H new ATOM 0 HB2 ALA A 120 21.537 -3.526 5.839 1.00 1.00 H new ATOM 0 HB3 ALA A 120 21.887 -5.128 5.147 1.00 1.00 H new ATOM 1887 N SER A 121 25.100 -4.388 4.021 1.00 1.00 N ATOM 1888 CA SER A 121 26.181 -5.225 3.427 1.00 1.00 C ATOM 1889 C SER A 121 26.292 -6.556 4.174 1.00 1.00 C ATOM 1890 O SER A 121 27.030 -6.682 5.132 1.00 1.00 O ATOM 1891 CB SER A 121 27.459 -4.405 3.602 1.00 1.00 C ATOM 1892 OG SER A 121 27.484 -3.364 2.633 1.00 1.00 O ATOM 0 H SER A 121 25.366 -3.860 4.852 1.00 1.00 H new ATOM 0 HA SER A 121 25.989 -5.464 2.381 1.00 1.00 H new ATOM 0 HB2 SER A 121 27.500 -3.984 4.607 1.00 1.00 H new ATOM 0 HB3 SER A 121 28.334 -5.045 3.488 1.00 1.00 H new ATOM 0 HG SER A 121 28.301 -2.834 2.743 1.00 1.00 H new ATOM 1898 N LYS A 122 25.563 -7.551 3.746 1.00 1.00 N ATOM 1899 CA LYS A 122 25.628 -8.872 4.433 1.00 1.00 C ATOM 1900 C LYS A 122 26.416 -9.873 3.582 1.00 1.00 C ATOM 1901 O LYS A 122 25.953 -10.329 2.556 1.00 1.00 O ATOM 1902 CB LYS A 122 24.171 -9.317 4.571 1.00 1.00 C ATOM 1903 CG LYS A 122 24.114 -10.837 4.739 1.00 1.00 C ATOM 1904 CD LYS A 122 23.408 -11.459 3.533 1.00 1.00 C ATOM 1905 CE LYS A 122 22.196 -10.604 3.154 1.00 1.00 C ATOM 1906 NZ LYS A 122 21.421 -10.455 4.418 1.00 1.00 N ATOM 0 H LYS A 122 24.926 -7.506 2.951 1.00 1.00 H new ATOM 0 HA LYS A 122 26.130 -8.812 5.399 1.00 1.00 H new ATOM 0 HB2 LYS A 122 23.710 -8.828 5.430 1.00 1.00 H new ATOM 0 HB3 LYS A 122 23.603 -9.016 3.691 1.00 1.00 H new ATOM 0 HG2 LYS A 122 25.122 -11.241 4.832 1.00 1.00 H new ATOM 0 HG3 LYS A 122 23.583 -11.092 5.656 1.00 1.00 H new ATOM 0 HD2 LYS A 122 24.096 -11.527 2.690 1.00 1.00 H new ATOM 0 HD3 LYS A 122 23.091 -12.475 3.768 1.00 1.00 H new ATOM 0 HE2 LYS A 122 22.504 -9.634 2.763 1.00 1.00 H new ATOM 0 HE3 LYS A 122 21.599 -11.086 2.379 1.00 1.00 H new ATOM 0 HZ1 LYS A 122 20.408 -10.375 4.197 1.00 1.00 H new ATOM 0 HZ2 LYS A 122 21.579 -11.287 5.022 1.00 1.00 H new ATOM 0 HZ3 LYS A 122 21.734 -9.599 4.919 1.00 1.00 H new ATOM 1919 N VAL A 123 27.603 -10.217 4.001 1.00 1.00 N ATOM 1920 CA VAL A 123 28.418 -11.188 3.216 1.00 1.00 C ATOM 1921 C VAL A 123 28.343 -12.578 3.852 1.00 1.00 C ATOM 1922 O VAL A 123 28.914 -12.826 4.896 1.00 1.00 O ATOM 1923 CB VAL A 123 29.846 -10.647 3.277 1.00 1.00 C ATOM 1924 CG1 VAL A 123 30.244 -10.416 4.735 1.00 1.00 C ATOM 1925 CG2 VAL A 123 30.802 -11.660 2.642 1.00 1.00 C ATOM 0 H VAL A 123 28.044 -9.868 4.852 1.00 1.00 H new ATOM 0 HA VAL A 123 28.064 -11.289 2.190 1.00 1.00 H new ATOM 0 HB VAL A 123 29.900 -9.704 2.733 1.00 1.00 H new ATOM 0 HG11 VAL A 123 31.263 -10.030 4.777 1.00 1.00 H new ATOM 0 HG12 VAL A 123 29.564 -9.695 5.188 1.00 1.00 H new ATOM 0 HG13 VAL A 123 30.190 -11.358 5.281 1.00 1.00 H new ATOM 0 HG21 VAL A 123 31.821 -11.275 2.685 1.00 1.00 H new ATOM 0 HG22 VAL A 123 30.747 -12.603 3.186 1.00 1.00 H new ATOM 0 HG23 VAL A 123 30.520 -11.824 1.602 1.00 1.00 H new ATOM 1935 N ASP A 124 27.643 -13.488 3.232 1.00 1.00 N ATOM 1936 CA ASP A 124 27.531 -14.862 3.803 1.00 1.00 C ATOM 1937 C ASP A 124 28.887 -15.571 3.743 1.00 1.00 C ATOM 1938 O ASP A 124 28.957 -16.708 4.180 1.00 1.00 O ATOM 1939 CB ASP A 124 26.512 -15.576 2.914 1.00 1.00 C ATOM 1940 CG ASP A 124 27.093 -15.753 1.511 1.00 1.00 C ATOM 1941 OD1 ASP A 124 28.103 -16.426 1.389 1.00 1.00 O ATOM 1942 OD2 ASP A 124 26.516 -15.211 0.581 1.00 1.00 O ATOM 0 H ASP A 124 27.144 -13.341 2.355 1.00 1.00 H new ATOM 0 HA ASP A 124 27.224 -14.853 4.849 1.00 1.00 H new ATOM 0 HB2 ASP A 124 26.260 -16.547 3.340 1.00 1.00 H new ATOM 0 HB3 ASP A 124 25.588 -14.999 2.866 1.00 1.00 H new