USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 742 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 46 SER OG : rot -7:sc= 0.274 USER MOD Set 1.2: A 84 CYS SG : rot 180:sc= 0.216 USER MOD Set 2.1: A 42 LYS NZ :NH3+ -133:sc= 0.0539 (180deg=0) USER MOD Set 2.2: A 44 TYR OH : rot 180:sc= 0.0531 USER MOD Set 3.1: A 37 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.402) USER MOD Set 3.2: A 38 GLN : amide:sc= -2.76 K(o=-2.8,f=-7.6!) USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.015 (180deg=0) USER MOD Single : A 2 SER OG : rot 9:sc= 0.138 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0628 K(o=-0.063,f=-2.2!) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 14 HIS : no HE2:sc= -1.8! C(o=-1.8!,f=-3.6!) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.225 F(o=-0.83,f=-0.22) USER MOD Single : A 26 MET CE :methyl -123:sc= -0.254 (180deg=-2.57) USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= -0.325 (180deg=-1.36!) USER MOD Single : A 32 LYS NZ :NH3+ -110:sc= -1.9! (180deg=-6.81!) USER MOD Single : A 33 THR OG1 : rot 131:sc= -0.495 USER MOD Single : A 39 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.1) USER MOD Single : A 49 THR OG1 : rot -130:sc=-0.00482 USER MOD Single : A 53 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.2) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 150:sc= -2.09 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=-0.00049) USER MOD Single : A 74 SER OG : rot -52:sc= 0.75 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.821 7.331 -23.744 1.00 0.00 N ATOM 2 CA GLY A 1 1.606 8.598 -23.069 1.00 0.00 C ATOM 3 C GLY A 1 2.208 8.624 -21.679 1.00 0.00 C ATOM 4 O GLY A 1 3.257 8.026 -21.438 1.00 0.00 O ATOM 0 H1 GLY A 1 2.061 7.505 -24.741 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.602 6.821 -23.284 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.955 6.758 -23.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.040 9.401 -23.664 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.536 8.793 -23.002 1.00 0.00 H new ATOM 8 N SER A 2 1.545 9.321 -20.761 1.00 0.00 N ATOM 9 CA SER A 2 2.025 9.428 -19.388 1.00 0.00 C ATOM 10 C SER A 2 0.857 9.498 -18.409 1.00 0.00 C ATOM 11 O SER A 2 -0.175 10.102 -18.699 1.00 0.00 O ATOM 12 CB SER A 2 2.913 10.663 -19.231 1.00 0.00 C ATOM 13 OG SER A 2 4.201 10.439 -19.777 1.00 0.00 O ATOM 0 H SER A 2 0.674 9.820 -20.943 1.00 0.00 H new ATOM 0 HA SER A 2 2.612 8.537 -19.163 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.448 11.515 -19.727 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.002 10.919 -18.175 1.00 0.00 H new ATOM 0 HG SER A 2 4.206 9.590 -20.266 1.00 0.00 H new ATOM 19 N SER A 3 1.029 8.875 -17.247 1.00 0.00 N ATOM 20 CA SER A 3 -0.011 8.863 -16.225 1.00 0.00 C ATOM 21 C SER A 3 -0.152 10.238 -15.578 1.00 0.00 C ATOM 22 O SER A 3 0.691 11.114 -15.764 1.00 0.00 O ATOM 23 CB SER A 3 0.306 7.814 -15.158 1.00 0.00 C ATOM 24 OG SER A 3 0.464 6.530 -15.736 1.00 0.00 O ATOM 0 H SER A 3 1.879 8.372 -16.990 1.00 0.00 H new ATOM 0 HA SER A 3 -0.956 8.608 -16.705 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.217 8.093 -14.629 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.496 7.788 -14.420 1.00 0.00 H new ATOM 0 HG SER A 3 0.668 5.878 -15.033 1.00 0.00 H new ATOM 30 N GLY A 4 -1.227 10.418 -14.815 1.00 0.00 N ATOM 31 CA GLY A 4 -1.461 11.687 -14.152 1.00 0.00 C ATOM 32 C GLY A 4 -2.658 11.644 -13.223 1.00 0.00 C ATOM 33 O GLY A 4 -2.505 11.582 -12.004 1.00 0.00 O ATOM 0 H GLY A 4 -1.939 9.708 -14.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.574 11.965 -13.583 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.615 12.462 -14.902 1.00 0.00 H new ATOM 37 N SER A 5 -3.855 11.677 -13.802 1.00 0.00 N ATOM 38 CA SER A 5 -5.084 11.647 -13.017 1.00 0.00 C ATOM 39 C SER A 5 -5.390 10.230 -12.541 1.00 0.00 C ATOM 40 O SER A 5 -5.591 9.993 -11.350 1.00 0.00 O ATOM 41 CB SER A 5 -6.254 12.184 -13.843 1.00 0.00 C ATOM 42 OG SER A 5 -7.358 12.506 -13.015 1.00 0.00 O ATOM 0 H SER A 5 -3.999 11.724 -14.811 1.00 0.00 H new ATOM 0 HA SER A 5 -4.944 12.283 -12.143 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.938 13.070 -14.394 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.554 11.440 -14.581 1.00 0.00 H new ATOM 0 HG SER A 5 -8.092 12.849 -13.567 1.00 0.00 H new ATOM 48 N SER A 6 -5.424 9.291 -13.482 1.00 0.00 N ATOM 49 CA SER A 6 -5.709 7.898 -13.161 1.00 0.00 C ATOM 50 C SER A 6 -4.594 7.297 -12.310 1.00 0.00 C ATOM 51 O SER A 6 -4.836 6.800 -11.211 1.00 0.00 O ATOM 52 CB SER A 6 -5.883 7.082 -14.443 1.00 0.00 C ATOM 53 OG SER A 6 -7.047 7.480 -15.146 1.00 0.00 O ATOM 0 H SER A 6 -5.258 9.470 -14.472 1.00 0.00 H new ATOM 0 HA SER A 6 -6.637 7.866 -12.589 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.008 7.209 -15.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.947 6.022 -14.197 1.00 0.00 H new ATOM 0 HG SER A 6 -7.135 6.945 -15.962 1.00 0.00 H new ATOM 59 N GLY A 7 -3.370 7.347 -12.828 1.00 0.00 N ATOM 60 CA GLY A 7 -2.236 6.805 -12.104 1.00 0.00 C ATOM 61 C GLY A 7 -1.890 7.619 -10.873 1.00 0.00 C ATOM 62 O GLY A 7 -1.906 8.849 -10.911 1.00 0.00 O ATOM 0 H GLY A 7 -3.144 7.753 -13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.455 5.779 -11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.371 6.768 -12.766 1.00 0.00 H new ATOM 66 N GLN A 8 -1.580 6.931 -9.778 1.00 0.00 N ATOM 67 CA GLN A 8 -1.233 7.600 -8.530 1.00 0.00 C ATOM 68 C GLN A 8 -0.243 6.766 -7.723 1.00 0.00 C ATOM 69 O GLN A 8 -0.168 5.548 -7.883 1.00 0.00 O ATOM 70 CB GLN A 8 -2.491 7.863 -7.700 1.00 0.00 C ATOM 71 CG GLN A 8 -3.423 8.892 -8.319 1.00 0.00 C ATOM 72 CD GLN A 8 -4.403 9.469 -7.317 1.00 0.00 C ATOM 73 OE1 GLN A 8 -4.138 9.492 -6.115 1.00 0.00 O ATOM 74 NE2 GLN A 8 -5.543 9.941 -7.807 1.00 0.00 N ATOM 0 H GLN A 8 -1.562 5.912 -9.730 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.763 8.552 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.033 6.926 -7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.197 8.202 -6.707 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.831 9.700 -8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.975 8.430 -9.137 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.722 9.902 -8.810 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.240 10.343 -7.180 1.00 0.00 H new ATOM 83 N ASN A 9 0.515 7.430 -6.857 1.00 0.00 N ATOM 84 CA ASN A 9 1.502 6.750 -6.026 1.00 0.00 C ATOM 85 C ASN A 9 0.833 6.069 -4.835 1.00 0.00 C ATOM 86 O ASN A 9 1.506 5.589 -3.923 1.00 0.00 O ATOM 87 CB ASN A 9 2.557 7.743 -5.534 1.00 0.00 C ATOM 88 CG ASN A 9 3.707 7.894 -6.511 1.00 0.00 C ATOM 89 OD1 ASN A 9 3.516 7.846 -7.726 1.00 0.00 O ATOM 90 ND2 ASN A 9 4.912 8.078 -5.982 1.00 0.00 N ATOM 0 H ASN A 9 0.465 8.438 -6.712 1.00 0.00 H new ATOM 0 HA ASN A 9 1.988 5.986 -6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 9 2.090 8.715 -5.373 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.943 7.411 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.724 8.186 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.024 8.111 -4.969 1.00 0.00 H new ATOM 97 N VAL A 10 -0.495 6.033 -4.851 1.00 0.00 N ATOM 98 CA VAL A 10 -1.255 5.410 -3.774 1.00 0.00 C ATOM 99 C VAL A 10 -1.834 4.070 -4.213 1.00 0.00 C ATOM 100 O VAL A 10 -2.407 3.954 -5.297 1.00 0.00 O ATOM 101 CB VAL A 10 -2.403 6.321 -3.297 1.00 0.00 C ATOM 102 CG1 VAL A 10 -3.110 6.954 -4.485 1.00 0.00 C ATOM 103 CG2 VAL A 10 -3.383 5.536 -2.438 1.00 0.00 C ATOM 0 H VAL A 10 -1.067 6.428 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.561 5.250 -2.949 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.981 7.121 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.918 7.594 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -2.399 7.551 -5.056 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.521 6.172 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -4.187 6.194 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.801 4.715 -3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.864 5.135 -1.567 1.00 0.00 H new ATOM 113 N LEU A 11 -1.682 3.059 -3.364 1.00 0.00 N ATOM 114 CA LEU A 11 -2.190 1.725 -3.664 1.00 0.00 C ATOM 115 C LEU A 11 -3.309 1.339 -2.701 1.00 0.00 C ATOM 116 O LEU A 11 -3.099 1.259 -1.491 1.00 0.00 O ATOM 117 CB LEU A 11 -1.059 0.698 -3.587 1.00 0.00 C ATOM 118 CG LEU A 11 -1.483 -0.771 -3.620 1.00 0.00 C ATOM 119 CD1 LEU A 11 -1.873 -1.183 -5.031 1.00 0.00 C ATOM 120 CD2 LEU A 11 -0.366 -1.660 -3.093 1.00 0.00 C ATOM 0 H LEU A 11 -1.211 3.138 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.594 1.736 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.376 0.877 -4.417 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.498 0.873 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.353 -0.893 -2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.172 -2.231 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.705 -0.567 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.022 -1.046 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.685 -2.702 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.522 -1.534 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.134 -1.382 -2.065 1.00 0.00 H new ATOM 132 N ASP A 12 -4.496 1.100 -3.248 1.00 0.00 N ATOM 133 CA ASP A 12 -5.647 0.719 -2.438 1.00 0.00 C ATOM 134 C ASP A 12 -5.737 -0.797 -2.300 1.00 0.00 C ATOM 135 O ASP A 12 -6.050 -1.502 -3.261 1.00 0.00 O ATOM 136 CB ASP A 12 -6.935 1.265 -3.057 1.00 0.00 C ATOM 137 CG ASP A 12 -8.171 0.846 -2.284 1.00 0.00 C ATOM 138 OD1 ASP A 12 -8.157 -0.254 -1.693 1.00 0.00 O ATOM 139 OD2 ASP A 12 -9.151 1.619 -2.271 1.00 0.00 O ATOM 0 H ASP A 12 -4.686 1.163 -4.248 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.520 1.149 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.884 2.353 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.017 0.915 -4.086 1.00 0.00 H new ATOM 144 N LEU A 13 -5.460 -1.295 -1.100 1.00 0.00 N ATOM 145 CA LEU A 13 -5.508 -2.729 -0.836 1.00 0.00 C ATOM 146 C LEU A 13 -6.908 -3.156 -0.407 1.00 0.00 C ATOM 147 O LEU A 13 -7.252 -4.337 -0.462 1.00 0.00 O ATOM 148 CB LEU A 13 -4.494 -3.102 0.246 1.00 0.00 C ATOM 149 CG LEU A 13 -3.023 -3.068 -0.171 1.00 0.00 C ATOM 150 CD1 LEU A 13 -2.125 -3.392 1.012 1.00 0.00 C ATOM 151 CD2 LEU A 13 -2.772 -4.039 -1.316 1.00 0.00 C ATOM 0 H LEU A 13 -5.200 -0.727 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.255 -3.253 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.627 -2.425 1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.726 -4.105 0.603 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.785 -2.061 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.082 -3.363 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.285 -2.658 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.363 -4.387 1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.720 -4.002 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.027 -5.050 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.389 -3.761 -2.171 1.00 0.00 H new ATOM 163 N HIS A 14 -7.712 -2.188 0.020 1.00 0.00 N ATOM 164 CA HIS A 14 -9.077 -2.464 0.456 1.00 0.00 C ATOM 165 C HIS A 14 -9.904 -3.048 -0.685 1.00 0.00 C ATOM 166 O HIS A 14 -9.987 -2.467 -1.766 1.00 0.00 O ATOM 167 CB HIS A 14 -9.736 -1.187 0.978 1.00 0.00 C ATOM 168 CG HIS A 14 -11.228 -1.186 0.845 1.00 0.00 C ATOM 169 ND1 HIS A 14 -11.876 -1.062 -0.366 1.00 0.00 N ATOM 170 CD2 HIS A 14 -12.200 -1.296 1.780 1.00 0.00 C ATOM 171 CE1 HIS A 14 -13.182 -1.095 -0.170 1.00 0.00 C ATOM 172 NE2 HIS A 14 -13.405 -1.237 1.124 1.00 0.00 N ATOM 0 H HIS A 14 -7.443 -1.206 0.074 1.00 0.00 H new ATOM 0 HA HIS A 14 -9.034 -3.197 1.262 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.473 -1.055 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.331 -0.332 0.438 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -11.418 -0.961 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -12.055 -1.409 2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.938 -1.019 -0.937 1.00 0.00 H new ATOM 180 N GLY A 15 -10.514 -4.203 -0.436 1.00 0.00 N ATOM 181 CA GLY A 15 -11.326 -4.847 -1.452 1.00 0.00 C ATOM 182 C GLY A 15 -10.779 -6.201 -1.858 1.00 0.00 C ATOM 183 O GLY A 15 -11.541 -7.129 -2.136 1.00 0.00 O ATOM 0 H GLY A 15 -10.460 -4.704 0.451 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.343 -4.966 -1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.383 -4.203 -2.330 1.00 0.00 H new ATOM 187 N LEU A 16 -9.456 -6.316 -1.896 1.00 0.00 N ATOM 188 CA LEU A 16 -8.808 -7.567 -2.273 1.00 0.00 C ATOM 189 C LEU A 16 -8.622 -8.472 -1.060 1.00 0.00 C ATOM 190 O LEU A 16 -8.948 -8.094 0.066 1.00 0.00 O ATOM 191 CB LEU A 16 -7.453 -7.285 -2.925 1.00 0.00 C ATOM 192 CG LEU A 16 -7.485 -6.925 -4.411 1.00 0.00 C ATOM 193 CD1 LEU A 16 -6.305 -6.035 -4.770 1.00 0.00 C ATOM 194 CD2 LEU A 16 -7.485 -8.185 -5.265 1.00 0.00 C ATOM 0 H LEU A 16 -8.811 -5.558 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.451 -8.079 -2.989 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.975 -6.468 -2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.821 -8.164 -2.798 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.404 -6.374 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.344 -5.789 -5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.349 -5.118 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.374 -6.560 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.508 -7.910 -6.319 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.584 -8.763 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.363 -8.785 -5.028 1.00 0.00 H new ATOM 206 N HIS A 17 -8.094 -9.669 -1.296 1.00 0.00 N ATOM 207 CA HIS A 17 -7.862 -10.628 -0.221 1.00 0.00 C ATOM 208 C HIS A 17 -6.458 -10.470 0.354 1.00 0.00 C ATOM 209 O HIS A 17 -5.496 -10.244 -0.382 1.00 0.00 O ATOM 210 CB HIS A 17 -8.059 -12.055 -0.731 1.00 0.00 C ATOM 211 CG HIS A 17 -8.328 -13.049 0.357 1.00 0.00 C ATOM 212 ND1 HIS A 17 -7.479 -14.097 0.645 1.00 0.00 N ATOM 213 CD2 HIS A 17 -9.357 -13.149 1.231 1.00 0.00 C ATOM 214 CE1 HIS A 17 -7.976 -14.799 1.648 1.00 0.00 C ATOM 215 NE2 HIS A 17 -9.114 -14.244 2.022 1.00 0.00 N ATOM 0 H HIS A 17 -7.819 -9.998 -2.221 1.00 0.00 H new ATOM 0 HA HIS A 17 -8.584 -10.430 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -8.889 -12.068 -1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -7.169 -12.362 -1.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -10.210 -12.490 1.294 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.527 -15.678 2.087 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -9.715 -14.575 2.776 1.00 0.00 H new ATOM 223 N VAL A 18 -6.346 -10.590 1.673 1.00 0.00 N ATOM 224 CA VAL A 18 -5.060 -10.461 2.347 1.00 0.00 C ATOM 225 C VAL A 18 -3.931 -11.016 1.485 1.00 0.00 C ATOM 226 O VAL A 18 -2.930 -10.340 1.245 1.00 0.00 O ATOM 227 CB VAL A 18 -5.061 -11.190 3.704 1.00 0.00 C ATOM 228 CG1 VAL A 18 -3.641 -11.358 4.221 1.00 0.00 C ATOM 229 CG2 VAL A 18 -5.919 -10.439 4.710 1.00 0.00 C ATOM 0 H VAL A 18 -7.131 -10.777 2.296 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.896 -9.397 2.516 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.490 -12.182 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.662 -11.875 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.060 -11.942 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.181 -10.378 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.909 -10.968 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.522 -9.434 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.943 -10.377 4.341 1.00 0.00 H new ATOM 239 N ASP A 19 -4.098 -12.250 1.023 1.00 0.00 N ATOM 240 CA ASP A 19 -3.093 -12.896 0.187 1.00 0.00 C ATOM 241 C ASP A 19 -2.781 -12.047 -1.042 1.00 0.00 C ATOM 242 O ASP A 19 -1.619 -11.864 -1.402 1.00 0.00 O ATOM 243 CB ASP A 19 -3.573 -14.283 -0.245 1.00 0.00 C ATOM 244 CG ASP A 19 -2.626 -14.943 -1.227 1.00 0.00 C ATOM 245 OD1 ASP A 19 -2.569 -14.492 -2.390 1.00 0.00 O ATOM 246 OD2 ASP A 19 -1.943 -15.912 -0.833 1.00 0.00 O ATOM 0 H ASP A 19 -4.920 -12.823 1.213 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.181 -13.002 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.680 -14.918 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.561 -14.198 -0.698 1.00 0.00 H new ATOM 251 N GLU A 20 -3.828 -11.533 -1.681 1.00 0.00 N ATOM 252 CA GLU A 20 -3.664 -10.705 -2.870 1.00 0.00 C ATOM 253 C GLU A 20 -3.009 -9.372 -2.519 1.00 0.00 C ATOM 254 O GLU A 20 -1.953 -9.029 -3.050 1.00 0.00 O ATOM 255 CB GLU A 20 -5.019 -10.460 -3.538 1.00 0.00 C ATOM 256 CG GLU A 20 -5.450 -11.580 -4.469 1.00 0.00 C ATOM 257 CD GLU A 20 -5.787 -12.859 -3.726 1.00 0.00 C ATOM 258 OE1 GLU A 20 -4.850 -13.540 -3.261 1.00 0.00 O ATOM 259 OE2 GLU A 20 -6.989 -13.177 -3.609 1.00 0.00 O ATOM 0 H GLU A 20 -4.797 -11.675 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.015 -11.237 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.777 -10.329 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.974 -9.528 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.319 -11.257 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.653 -11.779 -5.185 1.00 0.00 H new ATOM 266 N ALA A 21 -3.644 -8.626 -1.621 1.00 0.00 N ATOM 267 CA ALA A 21 -3.123 -7.332 -1.198 1.00 0.00 C ATOM 268 C ALA A 21 -1.622 -7.403 -0.937 1.00 0.00 C ATOM 269 O ALA A 21 -0.856 -6.573 -1.429 1.00 0.00 O ATOM 270 CB ALA A 21 -3.855 -6.849 0.045 1.00 0.00 C ATOM 0 H ALA A 21 -4.520 -8.895 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.291 -6.619 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.456 -5.882 0.350 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.918 -6.750 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.717 -7.569 0.852 1.00 0.00 H new ATOM 276 N LEU A 22 -1.209 -8.397 -0.160 1.00 0.00 N ATOM 277 CA LEU A 22 0.202 -8.576 0.168 1.00 0.00 C ATOM 278 C LEU A 22 1.058 -8.578 -1.094 1.00 0.00 C ATOM 279 O LEU A 22 1.915 -7.714 -1.275 1.00 0.00 O ATOM 280 CB LEU A 22 0.405 -9.883 0.937 1.00 0.00 C ATOM 281 CG LEU A 22 0.153 -9.821 2.444 1.00 0.00 C ATOM 282 CD1 LEU A 22 0.311 -11.198 3.069 1.00 0.00 C ATOM 283 CD2 LEU A 22 1.096 -8.823 3.101 1.00 0.00 C ATOM 0 H LEU A 22 -1.830 -9.092 0.255 1.00 0.00 H new ATOM 0 HA LEU A 22 0.513 -7.740 0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.254 -10.639 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.428 -10.222 0.774 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.871 -9.486 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.128 -11.134 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.405 -11.886 2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.323 -11.563 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.903 -8.792 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.128 -9.128 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.934 -7.833 2.674 1.00 0.00 H new ATOM 295 N GLU A 23 0.818 -9.553 -1.965 1.00 0.00 N ATOM 296 CA GLU A 23 1.567 -9.665 -3.211 1.00 0.00 C ATOM 297 C GLU A 23 1.650 -8.315 -3.919 1.00 0.00 C ATOM 298 O GLU A 23 2.702 -7.937 -4.435 1.00 0.00 O ATOM 299 CB GLU A 23 0.914 -10.697 -4.133 1.00 0.00 C ATOM 300 CG GLU A 23 1.164 -12.135 -3.710 1.00 0.00 C ATOM 301 CD GLU A 23 0.457 -13.137 -4.603 1.00 0.00 C ATOM 302 OE1 GLU A 23 -0.788 -13.209 -4.545 1.00 0.00 O ATOM 303 OE2 GLU A 23 1.150 -13.849 -5.359 1.00 0.00 O ATOM 0 H GLU A 23 0.111 -10.276 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 23 2.578 -9.992 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.161 -10.517 -4.162 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.289 -10.555 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.236 -12.333 -3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.829 -12.271 -2.682 1.00 0.00 H new ATOM 310 N HIS A 24 0.534 -7.594 -3.939 1.00 0.00 N ATOM 311 CA HIS A 24 0.480 -6.287 -4.583 1.00 0.00 C ATOM 312 C HIS A 24 1.390 -5.292 -3.870 1.00 0.00 C ATOM 313 O HIS A 24 2.128 -4.541 -4.509 1.00 0.00 O ATOM 314 CB HIS A 24 -0.956 -5.761 -4.599 1.00 0.00 C ATOM 315 CG HIS A 24 -1.741 -6.198 -5.798 1.00 0.00 C ATOM 316 ND1 HIS A 24 -2.971 -6.752 -5.896 1.00 0.00 N flip ATOM 317 CD2 HIS A 24 -1.268 -6.085 -7.088 1.00 0.00 C flip ATOM 318 CE1 HIS A 24 -3.219 -6.961 -7.231 1.00 0.00 C flip ATOM 319 NE2 HIS A 24 -2.175 -6.550 -7.929 1.00 0.00 N flip ATOM 0 H HIS A 24 -0.345 -7.893 -3.517 1.00 0.00 H new ATOM 0 HA HIS A 24 0.829 -6.401 -5.609 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.468 -6.098 -3.697 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.936 -4.672 -4.566 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.307 -5.680 -7.367 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.120 -7.391 -7.643 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -2.085 -6.586 -8.944 1.00 0.00 H new ATOM 327 N LEU A 25 1.333 -5.291 -2.543 1.00 0.00 N ATOM 328 CA LEU A 25 2.152 -4.388 -1.742 1.00 0.00 C ATOM 329 C LEU A 25 3.631 -4.549 -2.081 1.00 0.00 C ATOM 330 O LEU A 25 4.275 -3.613 -2.552 1.00 0.00 O ATOM 331 CB LEU A 25 1.927 -4.650 -0.252 1.00 0.00 C ATOM 332 CG LEU A 25 2.668 -3.722 0.712 1.00 0.00 C ATOM 333 CD1 LEU A 25 1.827 -2.493 1.022 1.00 0.00 C ATOM 334 CD2 LEU A 25 3.028 -4.460 1.992 1.00 0.00 C ATOM 0 H LEU A 25 0.728 -5.906 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 25 1.854 -3.365 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.859 -4.575 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.222 -5.677 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 25 3.591 -3.395 0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.370 -1.844 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.620 -1.951 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.887 -2.801 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.555 -3.784 2.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.118 -4.817 2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.670 -5.308 1.755 1.00 0.00 H new ATOM 346 N MET A 26 4.161 -5.743 -1.839 1.00 0.00 N ATOM 347 CA MET A 26 5.563 -6.028 -2.122 1.00 0.00 C ATOM 348 C MET A 26 5.915 -5.651 -3.558 1.00 0.00 C ATOM 349 O MET A 26 6.903 -4.958 -3.803 1.00 0.00 O ATOM 350 CB MET A 26 5.863 -7.509 -1.883 1.00 0.00 C ATOM 351 CG MET A 26 5.079 -8.443 -2.790 1.00 0.00 C ATOM 352 SD MET A 26 5.329 -10.181 -2.382 1.00 0.00 S ATOM 353 CE MET A 26 4.312 -10.333 -0.915 1.00 0.00 C ATOM 0 H MET A 26 3.641 -6.529 -1.448 1.00 0.00 H new ATOM 0 HA MET A 26 6.173 -5.428 -1.447 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.929 -7.683 -2.030 1.00 0.00 H new ATOM 0 HB3 MET A 26 5.640 -7.753 -0.844 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.017 -8.206 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.375 -8.271 -3.825 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.921 -10.692 -0.085 1.00 0.00 H new ATOM 0 HE2 MET A 26 3.891 -9.360 -0.662 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.504 -11.040 -1.104 1.00 0.00 H new ATOM 363 N ARG A 27 5.103 -6.113 -4.502 1.00 0.00 N ATOM 364 CA ARG A 27 5.330 -5.825 -5.913 1.00 0.00 C ATOM 365 C ARG A 27 5.460 -4.323 -6.148 1.00 0.00 C ATOM 366 O ARG A 27 6.455 -3.854 -6.700 1.00 0.00 O ATOM 367 CB ARG A 27 4.187 -6.388 -6.761 1.00 0.00 C ATOM 368 CG ARG A 27 4.414 -7.820 -7.215 1.00 0.00 C ATOM 369 CD ARG A 27 5.384 -7.887 -8.384 1.00 0.00 C ATOM 370 NE ARG A 27 5.973 -9.215 -8.531 1.00 0.00 N ATOM 371 CZ ARG A 27 7.140 -9.440 -9.126 1.00 0.00 C ATOM 372 NH1 ARG A 27 7.839 -8.430 -9.625 1.00 0.00 N ATOM 373 NH2 ARG A 27 7.610 -10.677 -9.220 1.00 0.00 N ATOM 0 H ARG A 27 4.282 -6.688 -4.316 1.00 0.00 H new ATOM 0 HA ARG A 27 6.263 -6.303 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 27 3.262 -6.340 -6.186 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.051 -5.755 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.803 -8.409 -6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.463 -8.266 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.863 -7.618 -9.303 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.177 -7.153 -8.240 1.00 0.00 H new ATOM 0 HE ARG A 27 5.461 -10.014 -8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.481 -7.477 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.734 -8.606 -10.081 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.076 -11.456 -8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.506 -10.849 -9.677 1.00 0.00 H new ATOM 387 N VAL A 28 4.447 -3.573 -5.725 1.00 0.00 N ATOM 388 CA VAL A 28 4.448 -2.125 -5.888 1.00 0.00 C ATOM 389 C VAL A 28 5.586 -1.484 -5.102 1.00 0.00 C ATOM 390 O VAL A 28 6.045 -0.390 -5.434 1.00 0.00 O ATOM 391 CB VAL A 28 3.112 -1.508 -5.432 1.00 0.00 C ATOM 392 CG1 VAL A 28 1.945 -2.169 -6.149 1.00 0.00 C ATOM 393 CG2 VAL A 28 2.959 -1.627 -3.923 1.00 0.00 C ATOM 0 H VAL A 28 3.615 -3.945 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 28 4.588 -1.926 -6.951 1.00 0.00 H new ATOM 0 HB VAL A 28 3.113 -0.449 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.010 -1.720 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.051 -2.026 -7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.936 -3.235 -5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.010 -1.186 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.979 -2.679 -3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.778 -1.101 -3.432 1.00 0.00 H new ATOM 403 N LEU A 29 6.038 -2.171 -4.060 1.00 0.00 N ATOM 404 CA LEU A 29 7.125 -1.670 -3.225 1.00 0.00 C ATOM 405 C LEU A 29 8.452 -1.710 -3.977 1.00 0.00 C ATOM 406 O LEU A 29 9.312 -0.852 -3.782 1.00 0.00 O ATOM 407 CB LEU A 29 7.228 -2.492 -1.940 1.00 0.00 C ATOM 408 CG LEU A 29 6.393 -1.998 -0.758 1.00 0.00 C ATOM 409 CD1 LEU A 29 6.485 -2.974 0.405 1.00 0.00 C ATOM 410 CD2 LEU A 29 6.845 -0.610 -0.329 1.00 0.00 C ATOM 0 H LEU A 29 5.669 -3.077 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 29 6.905 -0.634 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.933 -3.517 -2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.274 -2.521 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 29 5.351 -1.938 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.885 -2.606 1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.112 -3.949 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.524 -3.067 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.240 -0.274 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.893 -0.644 -0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.726 0.085 -1.161 1.00 0.00 H new ATOM 422 N GLU A 30 8.609 -2.712 -4.836 1.00 0.00 N ATOM 423 CA GLU A 30 9.831 -2.863 -5.618 1.00 0.00 C ATOM 424 C GLU A 30 9.699 -2.171 -6.972 1.00 0.00 C ATOM 425 O GLU A 30 10.680 -1.674 -7.526 1.00 0.00 O ATOM 426 CB GLU A 30 10.154 -4.345 -5.819 1.00 0.00 C ATOM 427 CG GLU A 30 10.915 -4.965 -4.659 1.00 0.00 C ATOM 428 CD GLU A 30 11.719 -6.182 -5.073 1.00 0.00 C ATOM 429 OE1 GLU A 30 12.830 -6.004 -5.614 1.00 0.00 O ATOM 430 OE2 GLU A 30 11.236 -7.313 -4.856 1.00 0.00 O ATOM 0 H GLU A 30 7.906 -3.431 -5.008 1.00 0.00 H new ATOM 0 HA GLU A 30 10.646 -2.393 -5.067 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.224 -4.894 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.741 -4.460 -6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.585 -4.220 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.210 -5.248 -3.877 1.00 0.00 H new ATOM 437 N LYS A 31 8.480 -2.143 -7.500 1.00 0.00 N ATOM 438 CA LYS A 31 8.218 -1.513 -8.788 1.00 0.00 C ATOM 439 C LYS A 31 8.170 0.006 -8.651 1.00 0.00 C ATOM 440 O LYS A 31 8.960 0.720 -9.268 1.00 0.00 O ATOM 441 CB LYS A 31 6.899 -2.025 -9.370 1.00 0.00 C ATOM 442 CG LYS A 31 6.519 -1.368 -10.686 1.00 0.00 C ATOM 443 CD LYS A 31 7.057 -2.148 -11.874 1.00 0.00 C ATOM 444 CE LYS A 31 8.423 -1.636 -12.304 1.00 0.00 C ATOM 445 NZ LYS A 31 8.334 -0.305 -12.966 1.00 0.00 N ATOM 0 H LYS A 31 7.657 -2.550 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 31 9.032 -1.774 -9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.971 -3.102 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.102 -1.856 -8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.434 -1.296 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.908 -0.350 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.128 -3.204 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.359 -2.071 -12.708 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.075 -1.565 -11.433 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.880 -2.352 -12.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.812 -0.344 -13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.335 -0.052 -13.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.794 0.411 -12.368 1.00 0.00 H new ATOM 459 N LYS A 32 7.240 0.493 -7.836 1.00 0.00 N ATOM 460 CA LYS A 32 7.091 1.926 -7.615 1.00 0.00 C ATOM 461 C LYS A 32 8.445 2.582 -7.362 1.00 0.00 C ATOM 462 O LYS A 32 8.884 3.440 -8.128 1.00 0.00 O ATOM 463 CB LYS A 32 6.158 2.185 -6.430 1.00 0.00 C ATOM 464 CG LYS A 32 4.764 1.611 -6.617 1.00 0.00 C ATOM 465 CD LYS A 32 3.949 2.433 -7.601 1.00 0.00 C ATOM 466 CE LYS A 32 2.457 2.298 -7.339 1.00 0.00 C ATOM 467 NZ LYS A 32 1.967 3.328 -6.381 1.00 0.00 N ATOM 0 H LYS A 32 6.578 -0.084 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 32 6.658 2.364 -8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.600 1.758 -5.530 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.080 3.260 -6.267 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.838 0.584 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.251 1.579 -5.656 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.239 3.481 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.171 2.110 -8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.913 2.389 -8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.246 1.304 -6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.718 2.873 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.714 4.033 -6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.127 3.798 -6.776 1.00 0.00 H new ATOM 481 N THR A 33 9.104 2.171 -6.283 1.00 0.00 N ATOM 482 CA THR A 33 10.408 2.718 -5.929 1.00 0.00 C ATOM 483 C THR A 33 11.264 2.944 -7.170 1.00 0.00 C ATOM 484 O THR A 33 12.094 3.851 -7.205 1.00 0.00 O ATOM 485 CB THR A 33 11.163 1.788 -4.961 1.00 0.00 C ATOM 486 OG1 THR A 33 12.352 2.433 -4.490 1.00 0.00 O ATOM 487 CG2 THR A 33 11.527 0.477 -5.642 1.00 0.00 C ATOM 0 H THR A 33 8.756 1.461 -5.639 1.00 0.00 H new ATOM 0 HA THR A 33 10.227 3.673 -5.436 1.00 0.00 H new ATOM 0 HB THR A 33 10.509 1.571 -4.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.397 2.363 -3.514 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.059 -0.163 -4.938 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.618 -0.025 -5.973 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.165 0.679 -6.503 1.00 0.00 H new ATOM 495 N GLU A 34 11.055 2.113 -8.187 1.00 0.00 N ATOM 496 CA GLU A 34 11.809 2.224 -9.430 1.00 0.00 C ATOM 497 C GLU A 34 11.850 3.671 -9.915 1.00 0.00 C ATOM 498 O GLU A 34 12.916 4.282 -9.986 1.00 0.00 O ATOM 499 CB GLU A 34 11.192 1.331 -10.508 1.00 0.00 C ATOM 500 CG GLU A 34 12.088 1.131 -11.719 1.00 0.00 C ATOM 501 CD GLU A 34 11.321 0.671 -12.943 1.00 0.00 C ATOM 502 OE1 GLU A 34 10.451 1.431 -13.417 1.00 0.00 O ATOM 503 OE2 GLU A 34 11.590 -0.449 -13.427 1.00 0.00 O ATOM 0 H GLU A 34 10.371 1.357 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 34 12.830 1.895 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 34 10.960 0.359 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.248 1.768 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.600 2.066 -11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.857 0.397 -11.480 1.00 0.00 H new ATOM 510 N GLU A 35 10.681 4.211 -10.247 1.00 0.00 N ATOM 511 CA GLU A 35 10.584 5.584 -10.726 1.00 0.00 C ATOM 512 C GLU A 35 11.075 6.566 -9.666 1.00 0.00 C ATOM 513 O GLU A 35 11.822 7.498 -9.966 1.00 0.00 O ATOM 514 CB GLU A 35 9.140 5.912 -11.111 1.00 0.00 C ATOM 515 CG GLU A 35 8.632 5.119 -12.303 1.00 0.00 C ATOM 516 CD GLU A 35 9.527 5.256 -13.519 1.00 0.00 C ATOM 517 OE1 GLU A 35 9.689 6.392 -14.013 1.00 0.00 O ATOM 518 OE2 GLU A 35 10.067 4.227 -13.977 1.00 0.00 O ATOM 0 H GLU A 35 9.789 3.719 -10.193 1.00 0.00 H new ATOM 0 HA GLU A 35 11.218 5.680 -11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.492 5.720 -10.255 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.066 6.976 -11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.556 4.067 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.627 5.455 -12.557 1.00 0.00 H new ATOM 525 N PHE A 36 10.650 6.351 -8.426 1.00 0.00 N ATOM 526 CA PHE A 36 11.044 7.217 -7.321 1.00 0.00 C ATOM 527 C PHE A 36 12.527 7.565 -7.406 1.00 0.00 C ATOM 528 O PHE A 36 12.961 8.609 -6.918 1.00 0.00 O ATOM 529 CB PHE A 36 10.744 6.540 -5.982 1.00 0.00 C ATOM 530 CG PHE A 36 11.674 6.955 -4.878 1.00 0.00 C ATOM 531 CD1 PHE A 36 11.692 8.264 -4.426 1.00 0.00 C ATOM 532 CD2 PHE A 36 12.530 6.036 -4.294 1.00 0.00 C ATOM 533 CE1 PHE A 36 12.547 8.650 -3.410 1.00 0.00 C ATOM 534 CE2 PHE A 36 13.387 6.415 -3.278 1.00 0.00 C ATOM 535 CZ PHE A 36 13.396 7.724 -2.836 1.00 0.00 C ATOM 0 H PHE A 36 10.032 5.584 -8.161 1.00 0.00 H new ATOM 0 HA PHE A 36 10.467 8.139 -7.391 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.720 6.770 -5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 36 10.804 5.459 -6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.031 8.992 -4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 36 12.528 5.012 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.551 9.674 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 14.049 5.689 -2.830 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.066 8.023 -2.043 1.00 0.00 H new ATOM 545 N LYS A 37 13.301 6.683 -8.029 1.00 0.00 N ATOM 546 CA LYS A 37 14.736 6.895 -8.179 1.00 0.00 C ATOM 547 C LYS A 37 15.019 8.004 -9.188 1.00 0.00 C ATOM 548 O LYS A 37 15.679 8.992 -8.868 1.00 0.00 O ATOM 549 CB LYS A 37 15.420 5.601 -8.624 1.00 0.00 C ATOM 550 CG LYS A 37 15.522 4.558 -7.524 1.00 0.00 C ATOM 551 CD LYS A 37 15.497 3.148 -8.088 1.00 0.00 C ATOM 552 CE LYS A 37 16.898 2.651 -8.409 1.00 0.00 C ATOM 553 NZ LYS A 37 17.425 3.251 -9.666 1.00 0.00 N ATOM 0 H LYS A 37 12.958 5.814 -8.439 1.00 0.00 H new ATOM 0 HA LYS A 37 15.137 7.196 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.868 5.179 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.421 5.835 -8.986 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.444 4.710 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.697 4.685 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.027 2.476 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.887 3.127 -8.991 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.567 2.892 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.886 1.565 -8.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.212 2.673 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.668 3.284 -10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.763 4.216 -9.475 1.00 0.00 H new ATOM 567 N GLN A 38 14.514 7.833 -10.406 1.00 0.00 N ATOM 568 CA GLN A 38 14.713 8.821 -11.460 1.00 0.00 C ATOM 569 C GLN A 38 13.631 9.895 -11.411 1.00 0.00 C ATOM 570 O GLN A 38 13.928 11.083 -11.301 1.00 0.00 O ATOM 571 CB GLN A 38 14.712 8.142 -12.831 1.00 0.00 C ATOM 572 CG GLN A 38 15.970 7.335 -13.111 1.00 0.00 C ATOM 573 CD GLN A 38 16.025 6.045 -12.316 1.00 0.00 C ATOM 574 OE1 GLN A 38 16.457 6.032 -11.163 1.00 0.00 O ATOM 575 NE2 GLN A 38 15.587 4.952 -12.929 1.00 0.00 N ATOM 0 H GLN A 38 13.965 7.021 -10.687 1.00 0.00 H new ATOM 0 HA GLN A 38 15.680 9.298 -11.299 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.845 7.485 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.599 8.902 -13.604 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.019 7.104 -14.175 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.845 7.940 -12.875 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.237 5.009 -13.886 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.600 4.055 -12.443 1.00 0.00 H new ATOM 584 N ASN A 39 12.375 9.467 -11.493 1.00 0.00 N ATOM 585 CA ASN A 39 11.249 10.393 -11.459 1.00 0.00 C ATOM 586 C ASN A 39 11.433 11.433 -10.358 1.00 0.00 C ATOM 587 O ASN A 39 11.088 12.602 -10.530 1.00 0.00 O ATOM 588 CB ASN A 39 9.941 9.629 -11.240 1.00 0.00 C ATOM 589 CG ASN A 39 9.294 9.205 -12.544 1.00 0.00 C ATOM 590 OD1 ASN A 39 9.956 9.118 -13.579 1.00 0.00 O ATOM 591 ND2 ASN A 39 7.994 8.939 -12.501 1.00 0.00 N ATOM 0 H ASN A 39 12.112 8.486 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 39 11.206 10.909 -12.418 1.00 0.00 H new ATOM 0 HB2 ASN A 39 10.136 8.747 -10.631 1.00 0.00 H new ATOM 0 HB3 ASN A 39 9.247 10.256 -10.680 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.504 8.649 -13.348 1.00 0.00 H new ATOM 0 HD22 ASN A 39 7.485 9.024 -11.621 1.00 0.00 H new ATOM 598 N GLY A 40 11.981 11.000 -9.227 1.00 0.00 N ATOM 599 CA GLY A 40 12.203 11.906 -8.115 1.00 0.00 C ATOM 600 C GLY A 40 10.922 12.242 -7.377 1.00 0.00 C ATOM 601 O GLY A 40 10.819 13.292 -6.744 1.00 0.00 O ATOM 0 H GLY A 40 12.275 10.038 -9.061 1.00 0.00 H new ATOM 0 HA2 GLY A 40 12.912 11.456 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.658 12.825 -8.484 1.00 0.00 H new ATOM 605 N GLY A 41 9.941 11.348 -7.459 1.00 0.00 N ATOM 606 CA GLY A 41 8.673 11.574 -6.790 1.00 0.00 C ATOM 607 C GLY A 41 8.796 11.515 -5.280 1.00 0.00 C ATOM 608 O GLY A 41 9.896 11.609 -4.735 1.00 0.00 O ATOM 0 H GLY A 41 10.002 10.471 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.280 12.548 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.952 10.827 -7.122 1.00 0.00 H new ATOM 612 N LYS A 42 7.664 11.362 -4.602 1.00 0.00 N ATOM 613 CA LYS A 42 7.647 11.292 -3.146 1.00 0.00 C ATOM 614 C LYS A 42 8.405 10.064 -2.652 1.00 0.00 C ATOM 615 O LYS A 42 8.244 8.957 -3.167 1.00 0.00 O ATOM 616 CB LYS A 42 6.206 11.255 -2.633 1.00 0.00 C ATOM 617 CG LYS A 42 5.401 12.492 -2.993 1.00 0.00 C ATOM 618 CD LYS A 42 3.913 12.188 -3.062 1.00 0.00 C ATOM 619 CE LYS A 42 3.135 13.350 -3.660 1.00 0.00 C ATOM 620 NZ LYS A 42 2.911 14.437 -2.668 1.00 0.00 N ATOM 0 H LYS A 42 6.745 11.284 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 42 8.141 12.183 -2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 42 5.707 10.376 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.218 11.142 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.580 13.272 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.739 12.880 -3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.751 11.293 -3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.537 11.974 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.678 13.747 -4.518 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.174 12.992 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.915 14.736 -2.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.139 14.089 -1.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.523 15.247 -2.896 1.00 0.00 H new ATOM 634 N PRO A 43 9.250 10.260 -1.629 1.00 0.00 N ATOM 635 CA PRO A 43 10.047 9.180 -1.042 1.00 0.00 C ATOM 636 C PRO A 43 9.191 8.181 -0.270 1.00 0.00 C ATOM 637 O PRO A 43 9.692 7.168 0.220 1.00 0.00 O ATOM 638 CB PRO A 43 10.997 9.915 -0.092 1.00 0.00 C ATOM 639 CG PRO A 43 10.284 11.176 0.255 1.00 0.00 C ATOM 640 CD PRO A 43 9.491 11.553 -0.966 1.00 0.00 C ATOM 0 HA PRO A 43 10.556 8.590 -1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.206 9.321 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.955 10.120 -0.570 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.631 11.031 1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.990 11.963 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.557 12.049 -0.701 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.044 12.237 -1.609 1.00 0.00 H new ATOM 648 N TYR A 44 7.899 8.471 -0.168 1.00 0.00 N ATOM 649 CA TYR A 44 6.974 7.599 0.545 1.00 0.00 C ATOM 650 C TYR A 44 5.877 7.091 -0.385 1.00 0.00 C ATOM 651 O TYR A 44 5.643 7.655 -1.455 1.00 0.00 O ATOM 652 CB TYR A 44 6.351 8.340 1.729 1.00 0.00 C ATOM 653 CG TYR A 44 5.649 9.621 1.340 1.00 0.00 C ATOM 654 CD1 TYR A 44 4.304 9.621 0.991 1.00 0.00 C ATOM 655 CD2 TYR A 44 6.330 10.832 1.320 1.00 0.00 C ATOM 656 CE1 TYR A 44 3.658 10.789 0.633 1.00 0.00 C ATOM 657 CE2 TYR A 44 5.692 12.005 0.965 1.00 0.00 C ATOM 658 CZ TYR A 44 4.357 11.978 0.623 1.00 0.00 C ATOM 659 OH TYR A 44 3.718 13.144 0.268 1.00 0.00 O ATOM 0 H TYR A 44 7.468 9.304 -0.570 1.00 0.00 H new ATOM 0 HA TYR A 44 7.536 6.742 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.638 7.681 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.131 8.569 2.455 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.754 8.692 1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.376 10.857 1.587 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.613 10.771 0.363 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.236 12.938 0.956 1.00 0.00 H new ATOM 0 HH TYR A 44 4.351 13.891 0.313 1.00 0.00 H new ATOM 669 N LEU A 45 5.207 6.021 0.030 1.00 0.00 N ATOM 670 CA LEU A 45 4.133 5.436 -0.765 1.00 0.00 C ATOM 671 C LEU A 45 2.882 5.223 0.082 1.00 0.00 C ATOM 672 O LEU A 45 2.945 4.638 1.164 1.00 0.00 O ATOM 673 CB LEU A 45 4.586 4.105 -1.369 1.00 0.00 C ATOM 674 CG LEU A 45 3.615 3.449 -2.351 1.00 0.00 C ATOM 675 CD1 LEU A 45 3.887 3.925 -3.770 1.00 0.00 C ATOM 676 CD2 LEU A 45 3.715 1.933 -2.267 1.00 0.00 C ATOM 0 H LEU A 45 5.389 5.541 0.912 1.00 0.00 H new ATOM 0 HA LEU A 45 3.891 6.130 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.535 4.265 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.776 3.405 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 45 2.601 3.742 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.186 3.447 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.764 5.007 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.906 3.662 -4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.017 1.483 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.730 1.621 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.469 1.608 -1.256 1.00 0.00 H new ATOM 688 N SER A 46 1.747 5.699 -0.418 1.00 0.00 N ATOM 689 CA SER A 46 0.481 5.562 0.294 1.00 0.00 C ATOM 690 C SER A 46 -0.088 4.157 0.124 1.00 0.00 C ATOM 691 O SER A 46 -0.062 3.592 -0.970 1.00 0.00 O ATOM 692 CB SER A 46 -0.526 6.598 -0.210 1.00 0.00 C ATOM 693 OG SER A 46 -1.577 6.782 0.722 1.00 0.00 O ATOM 0 H SER A 46 1.677 6.183 -1.313 1.00 0.00 H new ATOM 0 HA SER A 46 0.667 5.733 1.354 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.020 7.547 -0.384 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.936 6.275 -1.167 1.00 0.00 H new ATOM 0 HG SER A 46 -1.494 6.124 1.443 1.00 0.00 H new ATOM 699 N VAL A 47 -0.604 3.599 1.214 1.00 0.00 N ATOM 700 CA VAL A 47 -1.182 2.260 1.187 1.00 0.00 C ATOM 701 C VAL A 47 -2.445 2.190 2.038 1.00 0.00 C ATOM 702 O VAL A 47 -2.390 2.325 3.261 1.00 0.00 O ATOM 703 CB VAL A 47 -0.178 1.205 1.689 1.00 0.00 C ATOM 704 CG1 VAL A 47 -0.820 -0.173 1.715 1.00 0.00 C ATOM 705 CG2 VAL A 47 1.072 1.205 0.822 1.00 0.00 C ATOM 0 H VAL A 47 -0.634 4.053 2.127 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.435 2.045 0.149 1.00 0.00 H new ATOM 0 HB VAL A 47 0.114 1.462 2.707 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.096 -0.905 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.682 -0.160 2.382 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.143 -0.443 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.771 0.454 1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.800 0.973 -0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.542 2.188 0.861 1.00 0.00 H new ATOM 715 N ILE A 48 -3.581 1.976 1.384 1.00 0.00 N ATOM 716 CA ILE A 48 -4.858 1.886 2.081 1.00 0.00 C ATOM 717 C ILE A 48 -5.251 0.432 2.322 1.00 0.00 C ATOM 718 O ILE A 48 -5.611 -0.289 1.391 1.00 0.00 O ATOM 719 CB ILE A 48 -5.981 2.585 1.291 1.00 0.00 C ATOM 720 CG1 ILE A 48 -5.691 4.082 1.167 1.00 0.00 C ATOM 721 CG2 ILE A 48 -7.325 2.354 1.966 1.00 0.00 C ATOM 722 CD1 ILE A 48 -4.846 4.436 -0.036 1.00 0.00 C ATOM 0 H ILE A 48 -3.643 1.862 0.372 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.731 2.390 3.039 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.021 2.158 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.635 4.623 1.109 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.184 4.422 2.070 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.109 2.854 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.532 1.285 2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.298 2.758 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.680 5.513 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.887 3.923 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.361 4.128 -0.946 1.00 0.00 H new ATOM 734 N THR A 49 -5.181 0.007 3.580 1.00 0.00 N ATOM 735 CA THR A 49 -5.529 -1.360 3.945 1.00 0.00 C ATOM 736 C THR A 49 -6.871 -1.411 4.668 1.00 0.00 C ATOM 737 O THR A 49 -7.604 -2.393 4.568 1.00 0.00 O ATOM 738 CB THR A 49 -4.450 -1.994 4.844 1.00 0.00 C ATOM 739 OG1 THR A 49 -4.324 -1.247 6.059 1.00 0.00 O ATOM 740 CG2 THR A 49 -3.109 -2.040 4.128 1.00 0.00 C ATOM 0 H THR A 49 -4.886 0.591 4.363 1.00 0.00 H new ATOM 0 HA THR A 49 -5.597 -1.927 3.017 1.00 0.00 H new ATOM 0 HB THR A 49 -4.755 -3.014 5.076 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.379 -1.042 6.220 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.363 -2.491 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.202 -2.634 3.219 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.800 -1.027 3.869 1.00 0.00 H new ATOM 748 N GLY A 50 -7.186 -0.345 5.398 1.00 0.00 N ATOM 749 CA GLY A 50 -8.439 -0.289 6.126 1.00 0.00 C ATOM 750 C GLY A 50 -9.568 -0.986 5.393 1.00 0.00 C ATOM 751 O GLY A 50 -9.759 -0.780 4.195 1.00 0.00 O ATOM 0 H GLY A 50 -6.595 0.480 5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.307 -0.749 7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.710 0.753 6.297 1.00 0.00 H new ATOM 755 N ARG A 51 -10.316 -1.815 6.113 1.00 0.00 N ATOM 756 CA ARG A 51 -11.430 -2.548 5.523 1.00 0.00 C ATOM 757 C ARG A 51 -12.701 -1.704 5.531 1.00 0.00 C ATOM 758 O ARG A 51 -13.432 -1.656 4.543 1.00 0.00 O ATOM 759 CB ARG A 51 -11.668 -3.855 6.282 1.00 0.00 C ATOM 760 CG ARG A 51 -10.880 -5.032 5.730 1.00 0.00 C ATOM 761 CD ARG A 51 -11.664 -5.773 4.658 1.00 0.00 C ATOM 762 NE ARG A 51 -11.758 -5.005 3.419 1.00 0.00 N ATOM 763 CZ ARG A 51 -12.630 -5.273 2.453 1.00 0.00 C ATOM 764 NH1 ARG A 51 -13.477 -6.284 2.582 1.00 0.00 N ATOM 765 NH2 ARG A 51 -12.655 -4.528 1.355 1.00 0.00 N ATOM 0 H ARG A 51 -10.171 -1.996 7.106 1.00 0.00 H new ATOM 0 HA ARG A 51 -11.174 -2.778 4.489 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -11.403 -3.710 7.329 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.731 -4.094 6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.938 -4.677 5.313 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.632 -5.718 6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.185 -6.731 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.666 -5.990 5.027 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.120 -4.220 3.288 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.461 -6.859 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.145 -6.487 1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.004 -3.749 1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -13.325 -4.734 0.614 1.00 0.00 H new ATOM 779 N GLY A 52 -12.957 -1.040 6.654 1.00 0.00 N ATOM 780 CA GLY A 52 -14.141 -0.208 6.769 1.00 0.00 C ATOM 781 C GLY A 52 -15.370 -1.000 7.169 1.00 0.00 C ATOM 782 O GLY A 52 -15.261 -2.058 7.786 1.00 0.00 O ATOM 0 H GLY A 52 -12.367 -1.063 7.485 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.961 0.574 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -14.327 0.288 5.816 1.00 0.00 H new ATOM 786 N ASN A 53 -16.544 -0.485 6.817 1.00 0.00 N ATOM 787 CA ASN A 53 -17.799 -1.150 7.145 1.00 0.00 C ATOM 788 C ASN A 53 -18.325 -1.940 5.950 1.00 0.00 C ATOM 789 O ASN A 53 -18.796 -1.363 4.970 1.00 0.00 O ATOM 790 CB ASN A 53 -18.843 -0.124 7.591 1.00 0.00 C ATOM 791 CG ASN A 53 -20.159 -0.770 7.980 1.00 0.00 C ATOM 792 OD1 ASN A 53 -20.253 -1.992 8.098 1.00 0.00 O ATOM 793 ND2 ASN A 53 -21.184 0.051 8.181 1.00 0.00 N ATOM 0 H ASN A 53 -16.652 0.390 6.305 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.610 -1.845 7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -18.454 0.441 8.438 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -19.016 0.589 6.785 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -22.095 -0.325 8.444 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -21.060 1.058 8.072 1.00 0.00 H new ATOM 800 N HIS A 54 -18.240 -3.264 6.039 1.00 0.00 N ATOM 801 CA HIS A 54 -18.708 -4.133 4.966 1.00 0.00 C ATOM 802 C HIS A 54 -19.385 -5.378 5.532 1.00 0.00 C ATOM 803 O HIS A 54 -18.742 -6.210 6.171 1.00 0.00 O ATOM 804 CB HIS A 54 -17.542 -4.539 4.064 1.00 0.00 C ATOM 805 CG HIS A 54 -17.954 -4.864 2.661 1.00 0.00 C ATOM 806 ND1 HIS A 54 -17.435 -4.222 1.557 1.00 0.00 N ATOM 807 CD2 HIS A 54 -18.840 -5.770 2.186 1.00 0.00 C ATOM 808 CE1 HIS A 54 -17.985 -4.718 0.463 1.00 0.00 C ATOM 809 NE2 HIS A 54 -18.841 -5.660 0.818 1.00 0.00 N ATOM 0 H HIS A 54 -17.852 -3.758 6.843 1.00 0.00 H new ATOM 0 HA HIS A 54 -19.438 -3.579 4.376 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.812 -3.730 4.041 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -17.043 -5.406 4.497 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -19.436 -6.453 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -17.771 -4.407 -0.549 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -19.410 -6.215 0.179 1.00 0.00 H new ATOM 817 N SER A 55 -20.687 -5.498 5.292 1.00 0.00 N ATOM 818 CA SER A 55 -21.453 -6.638 5.782 1.00 0.00 C ATOM 819 C SER A 55 -21.374 -6.733 7.302 1.00 0.00 C ATOM 820 O SER A 55 -21.164 -7.811 7.857 1.00 0.00 O ATOM 821 CB SER A 55 -20.938 -7.934 5.151 1.00 0.00 C ATOM 822 OG SER A 55 -21.532 -8.156 3.884 1.00 0.00 O ATOM 0 H SER A 55 -21.233 -4.820 4.761 1.00 0.00 H new ATOM 0 HA SER A 55 -22.495 -6.493 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.854 -7.885 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 55 -21.155 -8.774 5.810 1.00 0.00 H new ATOM 0 HG SER A 55 -21.185 -8.989 3.501 1.00 0.00 H new ATOM 828 N GLN A 56 -21.545 -5.596 7.969 1.00 0.00 N ATOM 829 CA GLN A 56 -21.492 -5.550 9.426 1.00 0.00 C ATOM 830 C GLN A 56 -20.128 -6.003 9.936 1.00 0.00 C ATOM 831 O GLN A 56 -20.034 -6.725 10.928 1.00 0.00 O ATOM 832 CB GLN A 56 -22.592 -6.428 10.025 1.00 0.00 C ATOM 833 CG GLN A 56 -23.937 -5.729 10.133 1.00 0.00 C ATOM 834 CD GLN A 56 -24.057 -4.885 11.387 1.00 0.00 C ATOM 835 OE1 GLN A 56 -24.086 -5.409 12.501 1.00 0.00 O ATOM 836 NE2 GLN A 56 -24.127 -3.571 11.212 1.00 0.00 N ATOM 0 H GLN A 56 -21.721 -4.695 7.524 1.00 0.00 H new ATOM 0 HA GLN A 56 -21.651 -4.518 9.738 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -22.705 -7.323 9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.283 -6.758 11.017 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -24.084 -5.096 9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -24.732 -6.475 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -24.099 -3.180 10.270 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.208 -2.953 12.019 1.00 0.00 H new ATOM 845 N GLY A 57 -19.073 -5.575 9.250 1.00 0.00 N ATOM 846 CA GLY A 57 -17.728 -5.948 9.649 1.00 0.00 C ATOM 847 C GLY A 57 -17.181 -5.058 10.747 1.00 0.00 C ATOM 848 O GLY A 57 -17.810 -4.891 11.791 1.00 0.00 O ATOM 0 H GLY A 57 -19.125 -4.977 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.728 -6.983 9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.068 -5.898 8.783 1.00 0.00 H new ATOM 852 N GLY A 58 -16.004 -4.486 10.512 1.00 0.00 N ATOM 853 CA GLY A 58 -15.392 -3.616 11.500 1.00 0.00 C ATOM 854 C GLY A 58 -13.917 -3.909 11.695 1.00 0.00 C ATOM 855 O GLY A 58 -13.120 -2.998 11.916 1.00 0.00 O ATOM 0 H GLY A 58 -15.464 -4.609 9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.516 -2.578 11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.911 -3.730 12.452 1.00 0.00 H new ATOM 859 N VAL A 59 -13.553 -5.185 11.614 1.00 0.00 N ATOM 860 CA VAL A 59 -12.165 -5.596 11.784 1.00 0.00 C ATOM 861 C VAL A 59 -11.533 -5.963 10.446 1.00 0.00 C ATOM 862 O VAL A 59 -12.206 -6.464 9.547 1.00 0.00 O ATOM 863 CB VAL A 59 -12.047 -6.796 12.742 1.00 0.00 C ATOM 864 CG1 VAL A 59 -10.596 -7.227 12.883 1.00 0.00 C ATOM 865 CG2 VAL A 59 -12.645 -6.456 14.098 1.00 0.00 C ATOM 0 H VAL A 59 -14.201 -5.952 11.432 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.634 -4.746 12.213 1.00 0.00 H new ATOM 0 HB VAL A 59 -12.609 -7.630 12.322 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.533 -8.076 13.564 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.205 -7.515 11.907 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -10.008 -6.400 13.280 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.553 -7.315 14.762 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.113 -5.607 14.528 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -13.698 -6.202 13.978 1.00 0.00 H new ATOM 875 N ALA A 60 -10.234 -5.711 10.323 1.00 0.00 N ATOM 876 CA ALA A 60 -9.509 -6.017 9.095 1.00 0.00 C ATOM 877 C ALA A 60 -8.383 -7.012 9.356 1.00 0.00 C ATOM 878 O ALA A 60 -7.765 -6.999 10.421 1.00 0.00 O ATOM 879 CB ALA A 60 -8.957 -4.742 8.476 1.00 0.00 C ATOM 0 H ALA A 60 -9.662 -5.296 11.058 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.207 -6.474 8.394 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.418 -4.986 7.560 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.779 -4.065 8.244 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.278 -4.261 9.179 1.00 0.00 H new ATOM 885 N ARG A 61 -8.122 -7.873 8.379 1.00 0.00 N ATOM 886 CA ARG A 61 -7.071 -8.876 8.504 1.00 0.00 C ATOM 887 C ARG A 61 -5.919 -8.579 7.548 1.00 0.00 C ATOM 888 O ARG A 61 -4.970 -9.356 7.444 1.00 0.00 O ATOM 889 CB ARG A 61 -7.633 -10.271 8.225 1.00 0.00 C ATOM 890 CG ARG A 61 -6.678 -11.396 8.589 1.00 0.00 C ATOM 891 CD ARG A 61 -7.331 -12.759 8.418 1.00 0.00 C ATOM 892 NE ARG A 61 -6.351 -13.841 8.432 1.00 0.00 N ATOM 893 CZ ARG A 61 -6.662 -15.112 8.665 1.00 0.00 C ATOM 894 NH1 ARG A 61 -7.919 -15.457 8.903 1.00 0.00 N ATOM 895 NH2 ARG A 61 -5.713 -16.040 8.661 1.00 0.00 N ATOM 0 H ARG A 61 -8.624 -7.897 7.491 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.691 -8.842 9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.561 -10.398 8.783 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.885 -10.347 7.167 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.788 -11.336 7.962 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.349 -11.276 9.621 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.056 -12.916 9.217 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.882 -12.781 7.478 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.374 -13.609 8.253 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.651 -14.746 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.155 -16.433 9.081 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.744 -15.778 8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.953 -17.015 8.840 1.00 0.00 H new ATOM 909 N ILE A 62 -6.010 -7.450 6.853 1.00 0.00 N ATOM 910 CA ILE A 62 -4.976 -7.051 5.907 1.00 0.00 C ATOM 911 C ILE A 62 -3.833 -6.330 6.614 1.00 0.00 C ATOM 912 O ILE A 62 -2.671 -6.718 6.494 1.00 0.00 O ATOM 913 CB ILE A 62 -5.543 -6.134 4.807 1.00 0.00 C ATOM 914 CG1 ILE A 62 -6.670 -6.843 4.053 1.00 0.00 C ATOM 915 CG2 ILE A 62 -4.439 -5.713 3.848 1.00 0.00 C ATOM 916 CD1 ILE A 62 -7.269 -6.012 2.940 1.00 0.00 C ATOM 0 H ILE A 62 -6.789 -6.796 6.927 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.598 -7.965 5.448 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.952 -5.239 5.275 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.287 -7.774 3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.456 -7.111 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.855 -5.065 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.667 -5.174 4.397 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.004 -6.598 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.061 -6.578 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.683 -5.093 3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.495 -5.766 2.213 1.00 0.00 H new ATOM 928 N LYS A 63 -4.171 -5.280 7.354 1.00 0.00 N ATOM 929 CA LYS A 63 -3.175 -4.506 8.085 1.00 0.00 C ATOM 930 C LYS A 63 -2.167 -5.423 8.769 1.00 0.00 C ATOM 931 O LYS A 63 -0.954 -5.240 8.666 1.00 0.00 O ATOM 932 CB LYS A 63 -3.855 -3.612 9.125 1.00 0.00 C ATOM 933 CG LYS A 63 -3.198 -2.252 9.281 1.00 0.00 C ATOM 934 CD LYS A 63 -3.702 -1.528 10.518 1.00 0.00 C ATOM 935 CE LYS A 63 -3.085 -2.096 11.786 1.00 0.00 C ATOM 936 NZ LYS A 63 -3.986 -1.936 12.961 1.00 0.00 N ATOM 0 H LYS A 63 -5.128 -4.945 7.463 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.642 -3.880 7.369 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.899 -3.472 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.850 -4.121 10.089 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.117 -2.374 9.345 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.398 -1.647 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.466 -0.467 10.441 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.788 -1.610 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.863 -3.153 11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.137 -1.596 11.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.529 -2.336 13.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.178 -0.926 13.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.881 -2.435 12.783 1.00 0.00 H new ATOM 950 N PRO A 64 -2.678 -6.437 9.484 1.00 0.00 N ATOM 951 CA PRO A 64 -1.839 -7.405 10.197 1.00 0.00 C ATOM 952 C PRO A 64 -0.713 -7.950 9.325 1.00 0.00 C ATOM 953 O PRO A 64 0.461 -7.861 9.682 1.00 0.00 O ATOM 954 CB PRO A 64 -2.820 -8.521 10.564 1.00 0.00 C ATOM 955 CG PRO A 64 -4.149 -7.852 10.625 1.00 0.00 C ATOM 956 CD PRO A 64 -4.114 -6.717 9.650 1.00 0.00 C ATOM 0 HA PRO A 64 -1.340 -6.957 11.057 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.811 -9.317 9.819 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.562 -8.977 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -4.945 -8.552 10.373 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.352 -7.489 11.632 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.580 -6.989 8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.649 -5.847 10.030 1.00 0.00 H new ATOM 964 N ALA A 65 -1.080 -8.515 8.179 1.00 0.00 N ATOM 965 CA ALA A 65 -0.100 -9.072 7.254 1.00 0.00 C ATOM 966 C ALA A 65 0.883 -8.004 6.786 1.00 0.00 C ATOM 967 O ALA A 65 2.097 -8.170 6.901 1.00 0.00 O ATOM 968 CB ALA A 65 -0.800 -9.707 6.062 1.00 0.00 C ATOM 0 H ALA A 65 -2.048 -8.599 7.869 1.00 0.00 H new ATOM 0 HA ALA A 65 0.464 -9.841 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.056 -10.119 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.456 -10.506 6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.390 -8.952 5.542 1.00 0.00 H new ATOM 974 N VAL A 66 0.349 -6.908 6.257 1.00 0.00 N ATOM 975 CA VAL A 66 1.180 -5.812 5.771 1.00 0.00 C ATOM 976 C VAL A 66 2.246 -5.435 6.793 1.00 0.00 C ATOM 977 O VAL A 66 3.433 -5.370 6.471 1.00 0.00 O ATOM 978 CB VAL A 66 0.332 -4.567 5.447 1.00 0.00 C ATOM 979 CG1 VAL A 66 1.223 -3.413 5.014 1.00 0.00 C ATOM 980 CG2 VAL A 66 -0.697 -4.888 4.374 1.00 0.00 C ATOM 0 H VAL A 66 -0.654 -6.755 6.154 1.00 0.00 H new ATOM 0 HA VAL A 66 1.664 -6.162 4.859 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.200 -4.266 6.349 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.607 -2.542 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.918 -3.168 5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.784 -3.700 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.287 -3.997 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.188 -5.215 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.355 -5.682 4.727 1.00 0.00 H new ATOM 990 N ILE A 67 1.815 -5.189 8.026 1.00 0.00 N ATOM 991 CA ILE A 67 2.734 -4.821 9.096 1.00 0.00 C ATOM 992 C ILE A 67 3.815 -5.881 9.282 1.00 0.00 C ATOM 993 O ILE A 67 4.990 -5.560 9.462 1.00 0.00 O ATOM 994 CB ILE A 67 1.992 -4.621 10.431 1.00 0.00 C ATOM 995 CG1 ILE A 67 1.014 -3.448 10.325 1.00 0.00 C ATOM 996 CG2 ILE A 67 2.985 -4.389 11.559 1.00 0.00 C ATOM 997 CD1 ILE A 67 0.039 -3.369 11.478 1.00 0.00 C ATOM 0 H ILE A 67 0.836 -5.238 8.308 1.00 0.00 H new ATOM 0 HA ILE A 67 3.199 -3.880 8.803 1.00 0.00 H new ATOM 0 HB ILE A 67 1.424 -5.524 10.653 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.579 -2.518 10.273 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.456 -3.534 9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.445 -4.249 12.496 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.645 -5.252 11.646 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.577 -3.499 11.345 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.623 -2.515 11.337 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.552 -4.284 11.518 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.589 -3.252 12.412 1.00 0.00 H new ATOM 1009 N LYS A 68 3.410 -7.145 9.235 1.00 0.00 N ATOM 1010 CA LYS A 68 4.343 -8.254 9.395 1.00 0.00 C ATOM 1011 C LYS A 68 5.342 -8.295 8.244 1.00 0.00 C ATOM 1012 O LYS A 68 6.537 -8.508 8.453 1.00 0.00 O ATOM 1013 CB LYS A 68 3.583 -9.580 9.472 1.00 0.00 C ATOM 1014 CG LYS A 68 4.343 -10.676 10.199 1.00 0.00 C ATOM 1015 CD LYS A 68 3.503 -11.934 10.346 1.00 0.00 C ATOM 1016 CE LYS A 68 4.325 -13.092 10.889 1.00 0.00 C ATOM 1017 NZ LYS A 68 3.581 -14.380 10.821 1.00 0.00 N ATOM 0 H LYS A 68 2.441 -7.427 9.087 1.00 0.00 H new ATOM 0 HA LYS A 68 4.892 -8.102 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.631 -9.414 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.354 -9.917 8.461 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.257 -10.910 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.642 -10.320 11.185 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.664 -11.737 11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.082 -12.207 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.252 -13.177 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.603 -12.887 11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.175 -15.145 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.709 -14.307 11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.338 -14.589 9.832 1.00 0.00 H new ATOM 1031 N TYR A 69 4.847 -8.088 7.029 1.00 0.00 N ATOM 1032 CA TYR A 69 5.696 -8.102 5.844 1.00 0.00 C ATOM 1033 C TYR A 69 6.676 -6.933 5.863 1.00 0.00 C ATOM 1034 O TYR A 69 7.873 -7.106 5.627 1.00 0.00 O ATOM 1035 CB TYR A 69 4.842 -8.045 4.577 1.00 0.00 C ATOM 1036 CG TYR A 69 5.634 -7.747 3.324 1.00 0.00 C ATOM 1037 CD1 TYR A 69 6.153 -6.479 3.092 1.00 0.00 C ATOM 1038 CD2 TYR A 69 5.866 -8.734 2.374 1.00 0.00 C ATOM 1039 CE1 TYR A 69 6.877 -6.202 1.949 1.00 0.00 C ATOM 1040 CE2 TYR A 69 6.590 -8.466 1.228 1.00 0.00 C ATOM 1041 CZ TYR A 69 7.093 -7.199 1.020 1.00 0.00 C ATOM 1042 OH TYR A 69 7.816 -6.928 -0.119 1.00 0.00 O ATOM 0 H TYR A 69 3.861 -7.908 6.839 1.00 0.00 H new ATOM 0 HA TYR A 69 6.266 -9.031 5.848 1.00 0.00 H new ATOM 0 HB2 TYR A 69 4.327 -8.998 4.453 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.074 -7.282 4.701 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.987 -5.697 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.474 -9.727 2.534 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.272 -5.211 1.783 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.761 -9.245 0.499 1.00 0.00 H new ATOM 0 HH TYR A 69 8.281 -7.739 -0.412 1.00 0.00 H new ATOM 1052 N LEU A 70 6.161 -5.742 6.145 1.00 0.00 N ATOM 1053 CA LEU A 70 6.989 -4.542 6.196 1.00 0.00 C ATOM 1054 C LEU A 70 8.164 -4.731 7.150 1.00 0.00 C ATOM 1055 O LEU A 70 9.324 -4.621 6.751 1.00 0.00 O ATOM 1056 CB LEU A 70 6.152 -3.338 6.633 1.00 0.00 C ATOM 1057 CG LEU A 70 5.039 -2.911 5.675 1.00 0.00 C ATOM 1058 CD1 LEU A 70 4.062 -1.978 6.374 1.00 0.00 C ATOM 1059 CD2 LEU A 70 5.626 -2.244 4.440 1.00 0.00 C ATOM 0 H LEU A 70 5.173 -5.581 6.342 1.00 0.00 H new ATOM 0 HA LEU A 70 7.382 -4.360 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.704 -3.564 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.821 -2.490 6.782 1.00 0.00 H new ATOM 0 HG LEU A 70 4.496 -3.802 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.277 -1.685 5.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.617 -2.490 7.227 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.591 -1.090 6.720 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.820 -1.947 3.769 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.194 -1.363 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.285 -2.944 3.927 1.00 0.00 H new ATOM 1071 N ILE A 71 7.856 -5.019 8.410 1.00 0.00 N ATOM 1072 CA ILE A 71 8.887 -5.228 9.419 1.00 0.00 C ATOM 1073 C ILE A 71 9.956 -6.195 8.921 1.00 0.00 C ATOM 1074 O ILE A 71 11.137 -6.047 9.235 1.00 0.00 O ATOM 1075 CB ILE A 71 8.290 -5.771 10.730 1.00 0.00 C ATOM 1076 CG1 ILE A 71 7.222 -4.814 11.264 1.00 0.00 C ATOM 1077 CG2 ILE A 71 9.386 -5.981 11.765 1.00 0.00 C ATOM 1078 CD1 ILE A 71 6.208 -5.483 12.166 1.00 0.00 C ATOM 0 H ILE A 71 6.901 -5.113 8.756 1.00 0.00 H new ATOM 0 HA ILE A 71 9.341 -4.256 9.612 1.00 0.00 H new ATOM 0 HB ILE A 71 7.820 -6.733 10.527 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.709 -4.008 11.813 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.702 -4.357 10.422 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.948 -6.365 12.686 1.00 0.00 H new ATOM 0 HG22 ILE A 71 10.114 -6.697 11.384 1.00 0.00 H new ATOM 0 HG23 ILE A 71 9.882 -5.032 11.967 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.482 -4.745 12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.694 -6.270 11.614 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.717 -5.916 13.027 1.00 0.00 H new ATOM 1090 N SER A 72 9.533 -7.186 8.142 1.00 0.00 N ATOM 1091 CA SER A 72 10.453 -8.180 7.602 1.00 0.00 C ATOM 1092 C SER A 72 11.624 -7.507 6.891 1.00 0.00 C ATOM 1093 O SER A 72 12.787 -7.791 7.178 1.00 0.00 O ATOM 1094 CB SER A 72 9.721 -9.111 6.634 1.00 0.00 C ATOM 1095 OG SER A 72 10.439 -10.318 6.446 1.00 0.00 O ATOM 0 H SER A 72 8.559 -7.322 7.871 1.00 0.00 H new ATOM 0 HA SER A 72 10.844 -8.767 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.726 -9.332 7.020 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.587 -8.611 5.675 1.00 0.00 H new ATOM 0 HG SER A 72 9.949 -10.896 5.825 1.00 0.00 H new ATOM 1101 N HIS A 73 11.307 -6.612 5.960 1.00 0.00 N ATOM 1102 CA HIS A 73 12.331 -5.897 5.207 1.00 0.00 C ATOM 1103 C HIS A 73 12.746 -4.620 5.932 1.00 0.00 C ATOM 1104 O HIS A 73 13.488 -3.800 5.390 1.00 0.00 O ATOM 1105 CB HIS A 73 11.821 -5.559 3.806 1.00 0.00 C ATOM 1106 CG HIS A 73 11.820 -6.729 2.871 1.00 0.00 C ATOM 1107 ND1 HIS A 73 10.706 -7.122 2.158 1.00 0.00 N ATOM 1108 CD2 HIS A 73 12.805 -7.592 2.532 1.00 0.00 C ATOM 1109 CE1 HIS A 73 11.007 -8.177 1.423 1.00 0.00 C ATOM 1110 NE2 HIS A 73 12.275 -8.482 1.631 1.00 0.00 N ATOM 0 H HIS A 73 10.350 -6.365 5.709 1.00 0.00 H new ATOM 0 HA HIS A 73 13.203 -6.545 5.121 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.808 -5.165 3.882 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.440 -4.767 3.384 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.820 -7.583 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 73 10.331 -8.701 0.764 1.00 0.00 H new ATOM 0 HE2 HIS A 73 12.779 -9.253 1.193 1.00 0.00 H new ATOM 1118 N SER A 74 12.261 -4.457 7.159 1.00 0.00 N ATOM 1119 CA SER A 74 12.578 -3.277 7.956 1.00 0.00 C ATOM 1120 C SER A 74 12.066 -2.010 7.277 1.00 0.00 C ATOM 1121 O SER A 74 12.687 -0.951 7.366 1.00 0.00 O ATOM 1122 CB SER A 74 14.088 -3.177 8.177 1.00 0.00 C ATOM 1123 OG SER A 74 14.404 -2.112 9.058 1.00 0.00 O ATOM 0 H SER A 74 11.647 -5.127 7.623 1.00 0.00 H new ATOM 0 HA SER A 74 12.082 -3.376 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 74 14.462 -4.115 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.589 -3.024 7.221 1.00 0.00 H new ATOM 0 HG SER A 74 13.979 -1.288 8.741 1.00 0.00 H new ATOM 1129 N PHE A 75 10.929 -2.127 6.600 1.00 0.00 N ATOM 1130 CA PHE A 75 10.333 -0.992 5.905 1.00 0.00 C ATOM 1131 C PHE A 75 9.739 0.003 6.898 1.00 0.00 C ATOM 1132 O PHE A 75 8.737 -0.282 7.554 1.00 0.00 O ATOM 1133 CB PHE A 75 9.249 -1.471 4.937 1.00 0.00 C ATOM 1134 CG PHE A 75 9.778 -1.838 3.580 1.00 0.00 C ATOM 1135 CD1 PHE A 75 10.349 -0.876 2.761 1.00 0.00 C ATOM 1136 CD2 PHE A 75 9.705 -3.144 3.123 1.00 0.00 C ATOM 1137 CE1 PHE A 75 10.836 -1.211 1.512 1.00 0.00 C ATOM 1138 CE2 PHE A 75 10.191 -3.484 1.874 1.00 0.00 C ATOM 1139 CZ PHE A 75 10.758 -2.517 1.068 1.00 0.00 C ATOM 0 H PHE A 75 10.402 -2.996 6.518 1.00 0.00 H new ATOM 0 HA PHE A 75 11.119 -0.491 5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.745 -2.336 5.368 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.500 -0.687 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 75 10.414 0.146 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.264 -3.905 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.277 -0.452 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 75 10.127 -4.505 1.529 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.140 -2.781 0.093 1.00 0.00 H new ATOM 1149 N ARG A 76 10.365 1.170 7.003 1.00 0.00 N ATOM 1150 CA ARG A 76 9.901 2.207 7.917 1.00 0.00 C ATOM 1151 C ARG A 76 8.554 2.765 7.468 1.00 0.00 C ATOM 1152 O ARG A 76 8.398 3.194 6.324 1.00 0.00 O ATOM 1153 CB ARG A 76 10.929 3.337 8.005 1.00 0.00 C ATOM 1154 CG ARG A 76 10.471 4.512 8.855 1.00 0.00 C ATOM 1155 CD ARG A 76 11.646 5.366 9.303 1.00 0.00 C ATOM 1156 NE ARG A 76 12.210 6.143 8.202 1.00 0.00 N ATOM 1157 CZ ARG A 76 13.307 6.884 8.312 1.00 0.00 C ATOM 1158 NH1 ARG A 76 13.955 6.948 9.467 1.00 0.00 N ATOM 1159 NH2 ARG A 76 13.758 7.562 7.265 1.00 0.00 N ATOM 0 H ARG A 76 11.195 1.422 6.466 1.00 0.00 H new ATOM 0 HA ARG A 76 9.779 1.758 8.903 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.857 2.941 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.153 3.692 6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.771 5.124 8.285 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.934 4.143 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.322 6.042 10.095 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.419 4.725 9.727 1.00 0.00 H new ATOM 0 HE ARG A 76 11.736 6.115 7.299 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.611 6.427 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.797 7.518 9.548 1.00 0.00 H new ATOM 0 HH21 ARG A 76 13.262 7.515 6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.600 8.131 7.350 1.00 0.00 H new ATOM 1173 N PHE A 77 7.582 2.754 8.374 1.00 0.00 N ATOM 1174 CA PHE A 77 6.248 3.257 8.071 1.00 0.00 C ATOM 1175 C PHE A 77 5.653 3.982 9.275 1.00 0.00 C ATOM 1176 O PHE A 77 5.996 3.690 10.420 1.00 0.00 O ATOM 1177 CB PHE A 77 5.330 2.108 7.649 1.00 0.00 C ATOM 1178 CG PHE A 77 5.092 1.100 8.737 1.00 0.00 C ATOM 1179 CD1 PHE A 77 6.146 0.382 9.277 1.00 0.00 C ATOM 1180 CD2 PHE A 77 3.813 0.872 9.219 1.00 0.00 C ATOM 1181 CE1 PHE A 77 5.930 -0.546 10.279 1.00 0.00 C ATOM 1182 CE2 PHE A 77 3.591 -0.054 10.221 1.00 0.00 C ATOM 1183 CZ PHE A 77 4.651 -0.765 10.751 1.00 0.00 C ATOM 0 H PHE A 77 7.694 2.402 9.325 1.00 0.00 H new ATOM 0 HA PHE A 77 6.333 3.966 7.248 1.00 0.00 H new ATOM 0 HB2 PHE A 77 4.372 2.518 7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.766 1.604 6.786 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.148 0.549 8.911 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.981 1.424 8.807 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.761 -1.099 10.692 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.590 -0.222 10.589 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.479 -1.490 11.533 1.00 0.00 H new ATOM 1193 N SER A 78 4.759 4.929 9.006 1.00 0.00 N ATOM 1194 CA SER A 78 4.119 5.699 10.066 1.00 0.00 C ATOM 1195 C SER A 78 2.626 5.859 9.796 1.00 0.00 C ATOM 1196 O SER A 78 2.214 6.113 8.665 1.00 0.00 O ATOM 1197 CB SER A 78 4.776 7.075 10.194 1.00 0.00 C ATOM 1198 OG SER A 78 5.917 7.019 11.032 1.00 0.00 O ATOM 0 H SER A 78 4.462 5.181 8.063 1.00 0.00 H new ATOM 0 HA SER A 78 4.245 5.156 11.002 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.063 7.438 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.058 7.788 10.599 1.00 0.00 H new ATOM 0 HG SER A 78 6.320 7.910 11.096 1.00 0.00 H new ATOM 1204 N GLU A 79 1.822 5.707 10.844 1.00 0.00 N ATOM 1205 CA GLU A 79 0.375 5.834 10.719 1.00 0.00 C ATOM 1206 C GLU A 79 -0.049 7.299 10.758 1.00 0.00 C ATOM 1207 O GLU A 79 -0.069 7.923 11.820 1.00 0.00 O ATOM 1208 CB GLU A 79 -0.325 5.060 11.838 1.00 0.00 C ATOM 1209 CG GLU A 79 -1.838 5.020 11.697 1.00 0.00 C ATOM 1210 CD GLU A 79 -2.514 6.223 12.326 1.00 0.00 C ATOM 1211 OE1 GLU A 79 -2.216 6.525 13.500 1.00 0.00 O ATOM 1212 OE2 GLU A 79 -3.341 6.863 11.642 1.00 0.00 O ATOM 0 H GLU A 79 2.148 5.496 11.787 1.00 0.00 H new ATOM 0 HA GLU A 79 0.081 5.415 9.757 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.057 4.039 11.856 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.070 5.513 12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.100 4.972 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.219 4.110 12.161 1.00 0.00 H new ATOM 1219 N ILE A 80 -0.385 7.843 9.593 1.00 0.00 N ATOM 1220 CA ILE A 80 -0.808 9.234 9.493 1.00 0.00 C ATOM 1221 C ILE A 80 -2.329 9.349 9.516 1.00 0.00 C ATOM 1222 O ILE A 80 -2.879 10.387 9.887 1.00 0.00 O ATOM 1223 CB ILE A 80 -0.274 9.895 8.209 1.00 0.00 C ATOM 1224 CG1 ILE A 80 -0.707 9.094 6.979 1.00 0.00 C ATOM 1225 CG2 ILE A 80 1.242 10.011 8.265 1.00 0.00 C ATOM 1226 CD1 ILE A 80 -0.622 9.877 5.688 1.00 0.00 C ATOM 0 H ILE A 80 -0.372 7.341 8.705 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.393 9.752 10.358 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.694 10.898 8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.083 8.204 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.732 8.752 7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.605 10.480 7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.529 10.619 9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.680 9.017 8.361 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.944 9.247 4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.268 10.753 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.407 10.196 5.523 1.00 0.00 H new ATOM 1238 N LYS A 81 -3.004 8.276 9.118 1.00 0.00 N ATOM 1239 CA LYS A 81 -4.461 8.254 9.095 1.00 0.00 C ATOM 1240 C LYS A 81 -4.993 6.924 9.620 1.00 0.00 C ATOM 1241 O LYS A 81 -4.335 5.887 9.534 1.00 0.00 O ATOM 1242 CB LYS A 81 -4.973 8.495 7.673 1.00 0.00 C ATOM 1243 CG LYS A 81 -4.368 9.719 7.008 1.00 0.00 C ATOM 1244 CD LYS A 81 -5.206 10.962 7.260 1.00 0.00 C ATOM 1245 CE LYS A 81 -6.457 10.975 6.395 1.00 0.00 C ATOM 1246 NZ LYS A 81 -7.158 12.288 6.455 1.00 0.00 N ATOM 0 H LYS A 81 -2.564 7.410 8.807 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.822 9.052 9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.757 7.617 7.064 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.057 8.605 7.700 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.358 9.877 7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.284 9.547 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.489 11.004 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.611 11.852 7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.187 10.754 5.362 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.134 10.186 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.005 12.257 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.438 12.487 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.521 13.038 6.118 1.00 0.00 H new ATOM 1260 N PRO A 82 -6.214 6.952 10.175 1.00 0.00 N ATOM 1261 CA PRO A 82 -6.862 5.757 10.723 1.00 0.00 C ATOM 1262 C PRO A 82 -7.272 4.770 9.635 1.00 0.00 C ATOM 1263 O PRO A 82 -7.885 3.741 9.916 1.00 0.00 O ATOM 1264 CB PRO A 82 -8.098 6.316 11.431 1.00 0.00 C ATOM 1265 CG PRO A 82 -8.389 7.598 10.730 1.00 0.00 C ATOM 1266 CD PRO A 82 -7.056 8.153 10.311 1.00 0.00 C ATOM 0 HA PRO A 82 -6.196 5.197 11.379 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -8.940 5.627 11.361 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.907 6.479 12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -9.032 7.433 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.912 8.293 11.388 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.127 8.703 9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -6.656 8.842 11.055 1.00 0.00 H new ATOM 1274 N GLY A 83 -6.930 5.091 8.391 1.00 0.00 N ATOM 1275 CA GLY A 83 -7.271 4.223 7.280 1.00 0.00 C ATOM 1276 C GLY A 83 -6.234 4.260 6.175 1.00 0.00 C ATOM 1277 O GLY A 83 -6.552 4.028 5.008 1.00 0.00 O ATOM 0 H GLY A 83 -6.423 5.937 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -7.376 3.200 7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -8.239 4.519 6.876 1.00 0.00 H new ATOM 1281 N CYS A 84 -4.992 4.556 6.541 1.00 0.00 N ATOM 1282 CA CYS A 84 -3.905 4.626 5.571 1.00 0.00 C ATOM 1283 C CYS A 84 -2.577 4.240 6.214 1.00 0.00 C ATOM 1284 O CYS A 84 -2.435 4.271 7.437 1.00 0.00 O ATOM 1285 CB CYS A 84 -3.810 6.034 4.981 1.00 0.00 C ATOM 1286 SG CYS A 84 -3.165 6.085 3.293 1.00 0.00 S ATOM 0 H CYS A 84 -4.713 4.751 7.502 1.00 0.00 H new ATOM 0 HA CYS A 84 -4.119 3.918 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.800 6.489 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -3.171 6.642 5.621 1.00 0.00 H new ATOM 0 HG CYS A 84 -3.124 7.317 2.881 1.00 0.00 H new ATOM 1292 N LEU A 85 -1.607 3.876 5.383 1.00 0.00 N ATOM 1293 CA LEU A 85 -0.289 3.482 5.870 1.00 0.00 C ATOM 1294 C LEU A 85 0.813 4.058 4.987 1.00 0.00 C ATOM 1295 O LEU A 85 0.911 3.728 3.804 1.00 0.00 O ATOM 1296 CB LEU A 85 -0.176 1.957 5.917 1.00 0.00 C ATOM 1297 CG LEU A 85 -0.800 1.275 7.136 1.00 0.00 C ATOM 1298 CD1 LEU A 85 -0.664 -0.236 7.030 1.00 0.00 C ATOM 1299 CD2 LEU A 85 -0.156 1.782 8.418 1.00 0.00 C ATOM 0 H LEU A 85 -1.708 3.845 4.368 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.167 3.881 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.642 1.550 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.880 1.689 5.877 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.861 1.522 7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.113 -0.704 7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.172 -0.585 6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.391 -0.504 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.612 1.286 9.275 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.912 1.565 8.399 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.306 2.859 8.499 1.00 0.00 H new ATOM 1311 N LYS A 86 1.641 4.918 5.568 1.00 0.00 N ATOM 1312 CA LYS A 86 2.739 5.538 4.836 1.00 0.00 C ATOM 1313 C LYS A 86 4.003 4.689 4.930 1.00 0.00 C ATOM 1314 O LYS A 86 4.540 4.476 6.017 1.00 0.00 O ATOM 1315 CB LYS A 86 3.013 6.942 5.379 1.00 0.00 C ATOM 1316 CG LYS A 86 4.094 7.689 4.617 1.00 0.00 C ATOM 1317 CD LYS A 86 4.709 8.793 5.460 1.00 0.00 C ATOM 1318 CE LYS A 86 5.329 9.877 4.592 1.00 0.00 C ATOM 1319 NZ LYS A 86 5.549 11.139 5.352 1.00 0.00 N ATOM 0 H LYS A 86 1.573 5.202 6.545 1.00 0.00 H new ATOM 0 HA LYS A 86 2.449 5.611 3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.090 7.522 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.305 6.867 6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.871 6.990 4.308 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.670 8.117 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 86 3.944 9.232 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.470 8.370 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.280 9.523 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.679 10.075 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.973 11.852 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.639 11.491 5.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.189 10.956 6.151 1.00 0.00 H new ATOM 1333 N VAL A 87 4.475 4.209 3.784 1.00 0.00 N ATOM 1334 CA VAL A 87 5.678 3.386 3.737 1.00 0.00 C ATOM 1335 C VAL A 87 6.777 4.065 2.927 1.00 0.00 C ATOM 1336 O VAL A 87 6.635 4.273 1.722 1.00 0.00 O ATOM 1337 CB VAL A 87 5.387 2.001 3.129 1.00 0.00 C ATOM 1338 CG1 VAL A 87 6.651 1.155 3.098 1.00 0.00 C ATOM 1339 CG2 VAL A 87 4.284 1.299 3.906 1.00 0.00 C ATOM 0 H VAL A 87 4.043 4.376 2.875 1.00 0.00 H new ATOM 0 HA VAL A 87 6.015 3.259 4.766 1.00 0.00 H new ATOM 0 HB VAL A 87 5.046 2.138 2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.426 0.180 2.665 1.00 0.00 H new ATOM 0 HG12 VAL A 87 7.408 1.654 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.026 1.024 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.092 0.322 3.462 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.594 1.172 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.375 1.899 3.870 1.00 0.00 H new ATOM 1349 N MET A 88 7.872 4.407 3.597 1.00 0.00 N ATOM 1350 CA MET A 88 8.997 5.061 2.938 1.00 0.00 C ATOM 1351 C MET A 88 9.703 4.101 1.986 1.00 0.00 C ATOM 1352 O MET A 88 10.141 3.022 2.388 1.00 0.00 O ATOM 1353 CB MET A 88 9.988 5.588 3.978 1.00 0.00 C ATOM 1354 CG MET A 88 9.375 6.576 4.957 1.00 0.00 C ATOM 1355 SD MET A 88 9.040 8.180 4.205 1.00 0.00 S ATOM 1356 CE MET A 88 10.266 9.200 5.021 1.00 0.00 C ATOM 0 H MET A 88 8.005 4.243 4.595 1.00 0.00 H new ATOM 0 HA MET A 88 8.609 5.899 2.358 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.400 4.746 4.534 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.821 6.068 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.447 6.163 5.351 1.00 0.00 H new ATOM 0 HG3 MET A 88 10.049 6.709 5.803 1.00 0.00 H new ATOM 0 HE1 MET A 88 10.185 10.225 4.660 1.00 0.00 H new ATOM 0 HE2 MET A 88 10.098 9.180 6.098 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.262 8.816 4.802 1.00 0.00 H new ATOM 1366 N LEU A 89 9.809 4.499 0.723 1.00 0.00 N ATOM 1367 CA LEU A 89 10.462 3.673 -0.287 1.00 0.00 C ATOM 1368 C LEU A 89 11.980 3.773 -0.174 1.00 0.00 C ATOM 1369 O LEU A 89 12.508 4.712 0.422 1.00 0.00 O ATOM 1370 CB LEU A 89 10.014 4.095 -1.687 1.00 0.00 C ATOM 1371 CG LEU A 89 8.504 4.135 -1.925 1.00 0.00 C ATOM 1372 CD1 LEU A 89 8.192 4.763 -3.274 1.00 0.00 C ATOM 1373 CD2 LEU A 89 7.913 2.736 -1.837 1.00 0.00 C ATOM 0 H LEU A 89 9.451 5.388 0.374 1.00 0.00 H new ATOM 0 HA LEU A 89 10.171 2.636 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.421 5.085 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.458 3.411 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 89 8.050 4.750 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.113 4.783 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.581 5.781 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 89 8.659 4.176 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.838 2.784 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.373 2.098 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.104 2.322 -0.847 1.00 0.00 H new ATOM 1385 N LYS A 90 12.676 2.801 -0.753 1.00 0.00 N ATOM 1386 CA LYS A 90 14.134 2.780 -0.722 1.00 0.00 C ATOM 1387 C LYS A 90 14.714 3.429 -1.974 1.00 0.00 C ATOM 1388 O LYS A 90 14.153 3.310 -3.063 1.00 0.00 O ATOM 1389 CB LYS A 90 14.641 1.341 -0.598 1.00 0.00 C ATOM 1390 CG LYS A 90 14.120 0.616 0.631 1.00 0.00 C ATOM 1391 CD LYS A 90 14.530 -0.847 0.630 1.00 0.00 C ATOM 1392 CE LYS A 90 14.316 -1.487 1.993 1.00 0.00 C ATOM 1393 NZ LYS A 90 14.672 -2.932 1.990 1.00 0.00 N ATOM 0 H LYS A 90 12.254 2.017 -1.250 1.00 0.00 H new ATOM 0 HA LYS A 90 14.463 3.351 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 90 14.350 0.784 -1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 90 15.731 1.350 -0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.501 1.101 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.033 0.690 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 90 13.953 -1.387 -0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 90 15.579 -0.932 0.348 1.00 0.00 H new ATOM 0 HE2 LYS A 90 14.919 -0.966 2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.273 -1.371 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.512 -3.331 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 14.080 -3.434 1.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 15.674 -3.042 1.733 1.00 0.00 H new ATOM 1407 N SER A 91 15.841 4.115 -1.812 1.00 0.00 N ATOM 1408 CA SER A 91 16.496 4.784 -2.929 1.00 0.00 C ATOM 1409 C SER A 91 17.669 3.957 -3.447 1.00 0.00 C ATOM 1410 O SER A 91 17.951 3.941 -4.644 1.00 0.00 O ATOM 1411 CB SER A 91 16.984 6.171 -2.505 1.00 0.00 C ATOM 1412 OG SER A 91 17.992 6.076 -1.513 1.00 0.00 O ATOM 0 H SER A 91 16.319 4.222 -0.917 1.00 0.00 H new ATOM 0 HA SER A 91 15.767 4.892 -3.733 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.372 6.704 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.146 6.753 -2.122 1.00 0.00 H new ATOM 0 HG SER A 91 18.288 6.975 -1.260 1.00 0.00 H new ATOM 1418 N GLY A 92 18.348 3.269 -2.534 1.00 0.00 N ATOM 1419 CA GLY A 92 19.482 2.448 -2.916 1.00 0.00 C ATOM 1420 C GLY A 92 20.362 2.089 -1.735 1.00 0.00 C ATOM 1421 O GLY A 92 19.928 2.101 -0.583 1.00 0.00 O ATOM 0 H GLY A 92 18.133 3.266 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 92 19.122 1.534 -3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 92 20.076 2.978 -3.660 1.00 0.00 H new ATOM 1425 N PRO A 93 21.631 1.758 -2.017 1.00 0.00 N ATOM 1426 CA PRO A 93 22.600 1.386 -0.982 1.00 0.00 C ATOM 1427 C PRO A 93 23.000 2.570 -0.109 1.00 0.00 C ATOM 1428 O PRO A 93 22.946 3.720 -0.545 1.00 0.00 O ATOM 1429 CB PRO A 93 23.802 0.884 -1.786 1.00 0.00 C ATOM 1430 CG PRO A 93 23.690 1.570 -3.104 1.00 0.00 C ATOM 1431 CD PRO A 93 22.217 1.722 -3.367 1.00 0.00 C ATOM 0 HA PRO A 93 22.194 0.648 -0.290 1.00 0.00 H new ATOM 0 HB2 PRO A 93 24.741 1.131 -1.290 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.777 -0.200 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 93 24.185 2.541 -3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 93 24.169 0.986 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 93 22.000 2.634 -3.923 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.826 0.890 -3.953 1.00 0.00 H new ATOM 1439 N SER A 94 23.402 2.282 1.124 1.00 0.00 N ATOM 1440 CA SER A 94 23.808 3.324 2.060 1.00 0.00 C ATOM 1441 C SER A 94 25.306 3.252 2.337 1.00 0.00 C ATOM 1442 O SER A 94 25.862 2.170 2.528 1.00 0.00 O ATOM 1443 CB SER A 94 23.029 3.195 3.370 1.00 0.00 C ATOM 1444 OG SER A 94 23.269 1.942 3.985 1.00 0.00 O ATOM 0 H SER A 94 23.455 1.335 1.499 1.00 0.00 H new ATOM 0 HA SER A 94 23.586 4.290 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.317 3.998 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 94 21.963 3.310 3.175 1.00 0.00 H new ATOM 0 HG SER A 94 22.761 1.885 4.821 1.00 0.00 H new ATOM 1450 N SER A 95 25.955 4.412 2.357 1.00 0.00 N ATOM 1451 CA SER A 95 27.390 4.482 2.607 1.00 0.00 C ATOM 1452 C SER A 95 27.684 4.419 4.102 1.00 0.00 C ATOM 1453 O SER A 95 28.567 3.684 4.542 1.00 0.00 O ATOM 1454 CB SER A 95 27.970 5.767 2.014 1.00 0.00 C ATOM 1455 OG SER A 95 29.342 5.905 2.341 1.00 0.00 O ATOM 0 H SER A 95 25.509 5.317 2.203 1.00 0.00 H new ATOM 0 HA SER A 95 27.861 3.625 2.126 1.00 0.00 H new ATOM 0 HB2 SER A 95 27.850 5.758 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 95 27.415 6.627 2.389 1.00 0.00 H new ATOM 0 HG SER A 95 29.690 6.733 1.949 1.00 0.00 H new ATOM 1461 N GLY A 96 26.938 5.198 4.879 1.00 0.00 N ATOM 1462 CA GLY A 96 27.133 5.217 6.317 1.00 0.00 C ATOM 1463 C GLY A 96 26.206 4.261 7.041 1.00 0.00 C ATOM 1464 O GLY A 96 26.447 3.055 7.069 1.00 0.00 O ATOM 0 H GLY A 96 26.202 5.816 4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 96 28.167 4.957 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 96 26.970 6.228 6.689 1.00 0.00 H new TER 1468 GLY A 96