USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 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 93 LYS NZ :NH3+ -123:sc= -0.0097 (180deg=-0.0214) USER MOD Set 1.2: A 97 GLN : amide:sc=-0.000895 X(o=-0.011,f=-0.33) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.104 (180deg=-0.483) USER MOD Single : A 1 MET N :NH3+ -174:sc= 0 (180deg=-0.0348) USER MOD Single : A 3 HIS : no HD1:sc= -0.415 X(o=-0.41,f=-0.15) USER MOD Single : A 4 HIS : no HD1:sc=-0.00359 X(o=-0.0036,f=-0.36) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -138:sc= 0.531 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 171:sc= -0.0141 (180deg=-0.17) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00896) USER MOD Single : A 15 THR OG1 : rot -30:sc= 0.651 USER MOD Single : A 16 ASN : amide:sc= -0.253 K(o=-0.25,f=-3.1!) USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.116 (180deg=-0.537) USER MOD Single : A 22 LYS NZ :NH3+ -123:sc= 0.133 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.049) USER MOD Single : A 30 SER OG : rot -40:sc= 0.74 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.034) USER MOD Single : A 38 THR OG1 : rot -157:sc= 0.051 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0322) USER MOD Single : A 52 LYS NZ :NH3+ 160:sc= -0.772 (180deg=-1.51) USER MOD Single : A 53 MET CE :methyl -147:sc= 0 (180deg=-0.902) USER MOD Single : A 54 ASN : amide:sc= -0.167 K(o=-0.17,f=-1.4!) USER MOD Single : A 61 TYR OH : rot 101:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.087) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 115:sc= 0.41 USER MOD Single : A 77 THR OG1 : rot -84:sc= 0.212 USER MOD Single : A 78 LYS NZ :NH3+ 150:sc= -0.624 (180deg=-2.21!) USER MOD Single : A 79 ASN : amide:sc= 0.0493 K(o=0.049,f=-6.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 149:sc= 0.697 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.059) USER MOD Single : A 92 SER OG : rot 65:sc= 0.403 USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= 1 (180deg=0.834) USER MOD Single : A 99 GLN : amide:sc= 0.334 K(o=0.33,f=-0.94) USER MOD Single : A 102 SER OG : rot -170:sc= 0.582 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.0336 F(o=-1.9!,f=-0.034) USER MOD Single : A 105 LYS NZ :NH3+ 148:sc= -0.637 (180deg=-2.69!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -30.438 4.964 2.953 1.00 11.41 N ATOM 2 CA MET A 1 -31.348 4.708 1.803 1.00 1.21 C ATOM 3 C MET A 1 -31.478 3.194 1.525 1.00 73.10 C ATOM 4 O MET A 1 -30.476 2.520 1.259 1.00 0.02 O ATOM 5 CB MET A 1 -30.849 5.446 0.530 1.00 53.14 C ATOM 6 CG MET A 1 -30.867 6.978 0.630 1.00 52.24 C ATOM 7 SD MET A 1 -30.274 7.791 -0.876 1.00 21.04 S ATOM 8 CE MET A 1 -31.464 7.224 -2.099 1.00 32.05 C ATOM 0 H1 MET A 1 -30.447 5.978 3.184 1.00 11.41 H new ATOM 0 H2 MET A 1 -30.759 4.418 3.778 1.00 11.41 H new ATOM 0 H3 MET A 1 -29.471 4.675 2.702 1.00 11.41 H new ATOM 0 HA MET A 1 -32.333 5.095 2.066 1.00 1.21 H new ATOM 0 HB2 MET A 1 -29.831 5.121 0.313 1.00 53.14 H new ATOM 0 HB3 MET A 1 -31.467 5.143 -0.315 1.00 53.14 H new ATOM 0 HG2 MET A 1 -31.883 7.311 0.840 1.00 52.24 H new ATOM 0 HG3 MET A 1 -30.249 7.289 1.472 1.00 52.24 H new ATOM 0 HE1 MET A 1 -31.412 7.863 -2.980 1.00 32.05 H new ATOM 0 HE2 MET A 1 -31.234 6.197 -2.382 1.00 32.05 H new ATOM 0 HE3 MET A 1 -32.468 7.268 -1.677 1.00 32.05 H new ATOM 20 N GLY A 2 -32.718 2.671 1.609 1.00 3.44 N ATOM 21 CA GLY A 2 -33.017 1.268 1.282 1.00 4.33 C ATOM 22 C GLY A 2 -32.677 0.268 2.389 1.00 5.52 C ATOM 23 O GLY A 2 -31.953 0.588 3.343 1.00 24.13 O ATOM 0 H GLY A 2 -33.534 3.208 1.904 1.00 3.44 H new ATOM 0 HA2 GLY A 2 -34.078 1.182 1.046 1.00 4.33 H new ATOM 0 HA3 GLY A 2 -32.467 0.994 0.382 1.00 4.33 H new ATOM 27 N HIS A 3 -33.211 -0.959 2.254 1.00 14.40 N ATOM 28 CA HIS A 3 -32.937 -2.058 3.195 1.00 0.41 C ATOM 29 C HIS A 3 -31.551 -2.695 2.888 1.00 75.41 C ATOM 30 O HIS A 3 -31.405 -3.532 1.991 1.00 11.14 O ATOM 31 CB HIS A 3 -34.098 -3.109 3.194 1.00 70.41 C ATOM 32 CG HIS A 3 -34.346 -3.843 1.890 1.00 30.14 C ATOM 33 ND1 HIS A 3 -34.145 -5.199 1.743 1.00 43.13 N ATOM 34 CD2 HIS A 3 -34.793 -3.410 0.686 1.00 55.32 C ATOM 35 CE1 HIS A 3 -34.451 -5.562 0.513 1.00 64.20 C ATOM 36 NE2 HIS A 3 -34.848 -4.501 -0.148 1.00 54.24 N ATOM 0 H HIS A 3 -33.841 -1.215 1.494 1.00 14.40 H new ATOM 0 HA HIS A 3 -32.893 -1.654 4.206 1.00 0.41 H new ATOM 0 HB2 HIS A 3 -33.889 -3.848 3.967 1.00 70.41 H new ATOM 0 HB3 HIS A 3 -35.019 -2.600 3.480 1.00 70.41 H new ATOM 0 HD2 HIS A 3 -35.057 -2.395 0.429 1.00 55.32 H new ATOM 0 HE1 HIS A 3 -34.386 -6.564 0.116 1.00 64.20 H new ATOM 0 HE2 HIS A 3 -35.149 -4.488 -1.123 1.00 54.24 H new ATOM 45 N HIS A 4 -30.520 -2.227 3.613 1.00 2.13 N ATOM 46 CA HIS A 4 -29.132 -2.749 3.509 1.00 74.54 C ATOM 47 C HIS A 4 -28.596 -3.172 4.907 1.00 40.31 C ATOM 48 O HIS A 4 -27.386 -3.131 5.158 1.00 55.33 O ATOM 49 CB HIS A 4 -28.205 -1.684 2.838 1.00 31.43 C ATOM 50 CG HIS A 4 -28.011 -0.414 3.633 1.00 53.30 C ATOM 51 ND1 HIS A 4 -27.031 -0.272 4.596 1.00 10.45 N ATOM 52 CD2 HIS A 4 -28.665 0.771 3.601 1.00 23.52 C ATOM 53 CE1 HIS A 4 -27.095 0.934 5.118 1.00 42.33 C ATOM 54 NE2 HIS A 4 -28.075 1.590 4.534 1.00 3.31 N ATOM 0 H HIS A 4 -30.619 -1.473 4.293 1.00 2.13 H new ATOM 0 HA HIS A 4 -29.136 -3.638 2.879 1.00 74.54 H new ATOM 0 HB2 HIS A 4 -27.229 -2.135 2.659 1.00 31.43 H new ATOM 0 HB3 HIS A 4 -28.620 -1.425 1.864 1.00 31.43 H new ATOM 0 HD2 HIS A 4 -29.497 1.026 2.961 1.00 23.52 H new ATOM 0 HE1 HIS A 4 -26.452 1.320 5.895 1.00 42.33 H new ATOM 0 HE2 HIS A 4 -28.352 2.550 4.740 1.00 3.31 H new ATOM 63 N HIS A 5 -29.514 -3.626 5.791 1.00 3.43 N ATOM 64 CA HIS A 5 -29.194 -4.027 7.193 1.00 2.21 C ATOM 65 C HIS A 5 -28.116 -5.145 7.242 1.00 62.03 C ATOM 66 O HIS A 5 -27.183 -5.076 8.042 1.00 0.23 O ATOM 67 CB HIS A 5 -30.480 -4.500 7.920 1.00 3.03 C ATOM 68 CG HIS A 5 -31.591 -3.479 7.959 1.00 10.33 C ATOM 69 ND1 HIS A 5 -31.671 -2.489 8.915 1.00 25.31 N ATOM 70 CD2 HIS A 5 -32.673 -3.300 7.155 1.00 75.31 C ATOM 71 CE1 HIS A 5 -32.744 -1.754 8.707 1.00 43.22 C ATOM 72 NE2 HIS A 5 -33.368 -2.226 7.650 1.00 62.25 N ATOM 0 H HIS A 5 -30.502 -3.727 5.558 1.00 3.43 H new ATOM 0 HA HIS A 5 -28.789 -3.152 7.701 1.00 2.21 H new ATOM 0 HB2 HIS A 5 -30.849 -5.401 7.429 1.00 3.03 H new ATOM 0 HB3 HIS A 5 -30.223 -4.777 8.942 1.00 3.03 H new ATOM 0 HD2 HIS A 5 -32.935 -3.892 6.290 1.00 75.31 H new ATOM 0 HE1 HIS A 5 -33.057 -0.909 9.302 1.00 43.22 H new ATOM 0 HE2 HIS A 5 -34.233 -1.852 7.260 1.00 62.25 H new ATOM 81 N HIS A 6 -28.285 -6.162 6.368 1.00 23.11 N ATOM 82 CA HIS A 6 -27.312 -7.267 6.147 1.00 34.10 C ATOM 83 C HIS A 6 -26.991 -8.071 7.440 1.00 12.25 C ATOM 84 O HIS A 6 -26.028 -7.764 8.157 1.00 1.44 O ATOM 85 CB HIS A 6 -26.002 -6.744 5.482 1.00 50.30 C ATOM 86 CG HIS A 6 -26.190 -6.112 4.126 1.00 11.41 C ATOM 87 ND1 HIS A 6 -25.489 -4.999 3.713 1.00 2.52 N ATOM 88 CD2 HIS A 6 -26.965 -6.468 3.073 1.00 34.51 C ATOM 89 CE1 HIS A 6 -25.823 -4.696 2.477 1.00 35.40 C ATOM 90 NE2 HIS A 6 -26.717 -5.571 2.063 1.00 35.11 N ATOM 0 H HIS A 6 -29.116 -6.244 5.783 1.00 23.11 H new ATOM 0 HA HIS A 6 -27.798 -7.962 5.462 1.00 34.10 H new ATOM 0 HB2 HIS A 6 -25.540 -6.014 6.147 1.00 50.30 H new ATOM 0 HB3 HIS A 6 -25.303 -7.575 5.386 1.00 50.30 H new ATOM 0 HD2 HIS A 6 -27.650 -7.302 3.035 1.00 34.51 H new ATOM 0 HE1 HIS A 6 -25.431 -3.871 1.900 1.00 35.40 H new ATOM 0 HE2 HIS A 6 -27.154 -5.581 1.141 1.00 35.11 H new ATOM 99 N HIS A 7 -27.830 -9.075 7.745 1.00 43.11 N ATOM 100 CA HIS A 7 -27.584 -10.028 8.852 1.00 14.40 C ATOM 101 C HIS A 7 -26.804 -11.254 8.314 1.00 51.44 C ATOM 102 O HIS A 7 -27.283 -11.950 7.409 1.00 43.55 O ATOM 103 CB HIS A 7 -28.929 -10.459 9.501 1.00 75.32 C ATOM 104 CG HIS A 7 -29.679 -9.323 10.145 1.00 2.43 C ATOM 105 ND1 HIS A 7 -29.449 -8.911 11.438 1.00 43.20 N ATOM 106 CD2 HIS A 7 -30.642 -8.498 9.665 1.00 54.43 C ATOM 107 CE1 HIS A 7 -30.231 -7.895 11.724 1.00 40.54 C ATOM 108 NE2 HIS A 7 -30.968 -7.621 10.668 1.00 0.32 N ATOM 0 H HIS A 7 -28.696 -9.253 7.236 1.00 43.11 H new ATOM 0 HA HIS A 7 -26.983 -9.544 9.622 1.00 14.40 H new ATOM 0 HB2 HIS A 7 -29.561 -10.915 8.739 1.00 75.32 H new ATOM 0 HB3 HIS A 7 -28.732 -11.225 10.251 1.00 75.32 H new ATOM 0 HD2 HIS A 7 -31.073 -8.526 8.675 1.00 54.43 H new ATOM 0 HE1 HIS A 7 -30.264 -7.372 12.668 1.00 40.54 H new ATOM 0 HE2 HIS A 7 -31.666 -6.880 10.606 1.00 0.32 H new ATOM 117 N HIS A 8 -25.598 -11.494 8.863 1.00 2.44 N ATOM 118 CA HIS A 8 -24.699 -12.578 8.408 1.00 61.24 C ATOM 119 C HIS A 8 -25.314 -13.978 8.670 1.00 74.23 C ATOM 120 O HIS A 8 -25.306 -14.472 9.805 1.00 52.32 O ATOM 121 CB HIS A 8 -23.326 -12.456 9.109 1.00 32.41 C ATOM 122 CG HIS A 8 -22.648 -11.126 8.906 1.00 63.14 C ATOM 123 ND1 HIS A 8 -22.657 -10.125 9.853 1.00 41.51 N ATOM 124 CD2 HIS A 8 -21.942 -10.635 7.858 1.00 72.02 C ATOM 125 CE1 HIS A 8 -21.988 -9.087 9.404 1.00 52.32 C ATOM 126 NE2 HIS A 8 -21.546 -9.368 8.198 1.00 4.31 N ATOM 0 H HIS A 8 -25.218 -10.944 9.633 1.00 2.44 H new ATOM 0 HA HIS A 8 -24.565 -12.473 7.331 1.00 61.24 H new ATOM 0 HB2 HIS A 8 -23.459 -12.624 10.178 1.00 32.41 H new ATOM 0 HB3 HIS A 8 -22.671 -13.246 8.741 1.00 32.41 H new ATOM 0 HD2 HIS A 8 -21.731 -11.146 6.930 1.00 72.02 H new ATOM 0 HE1 HIS A 8 -21.828 -8.160 9.935 1.00 52.32 H new ATOM 0 HE2 HIS A 8 -20.996 -8.743 7.609 1.00 4.31 H new ATOM 135 N SER A 9 -25.890 -14.576 7.605 1.00 53.24 N ATOM 136 CA SER A 9 -26.460 -15.938 7.642 1.00 43.21 C ATOM 137 C SER A 9 -25.351 -16.978 7.914 1.00 2.13 C ATOM 138 O SER A 9 -24.335 -17.010 7.206 1.00 72.05 O ATOM 139 CB SER A 9 -27.186 -16.257 6.310 1.00 42.10 C ATOM 140 OG SER A 9 -27.852 -17.511 6.370 1.00 4.22 O ATOM 0 H SER A 9 -25.972 -14.126 6.694 1.00 53.24 H new ATOM 0 HA SER A 9 -27.187 -15.987 8.452 1.00 43.21 H new ATOM 0 HB2 SER A 9 -27.908 -15.470 6.090 1.00 42.10 H new ATOM 0 HB3 SER A 9 -26.464 -16.265 5.493 1.00 42.10 H new ATOM 0 HG SER A 9 -27.714 -17.995 5.529 1.00 4.22 H new ATOM 146 N HIS A 10 -25.567 -17.839 8.928 1.00 54.15 N ATOM 147 CA HIS A 10 -24.536 -18.789 9.441 1.00 65.11 C ATOM 148 C HIS A 10 -24.451 -20.111 8.617 1.00 12.15 C ATOM 149 O HIS A 10 -24.093 -21.171 9.147 1.00 72.45 O ATOM 150 CB HIS A 10 -24.808 -19.068 10.944 1.00 43.34 C ATOM 151 CG HIS A 10 -24.648 -17.851 11.824 1.00 52.35 C ATOM 152 ND1 HIS A 10 -23.469 -17.541 12.473 1.00 25.05 N ATOM 153 CD2 HIS A 10 -25.517 -16.865 12.158 1.00 0.13 C ATOM 154 CE1 HIS A 10 -23.620 -16.429 13.159 1.00 52.34 C ATOM 155 NE2 HIS A 10 -24.847 -16.000 12.987 1.00 51.15 N ATOM 0 H HIS A 10 -26.458 -17.903 9.420 1.00 54.15 H new ATOM 0 HA HIS A 10 -23.560 -18.319 9.325 1.00 65.11 H new ATOM 0 HB2 HIS A 10 -25.821 -19.456 11.055 1.00 43.34 H new ATOM 0 HB3 HIS A 10 -24.128 -19.847 11.289 1.00 43.34 H new ATOM 0 HD2 HIS A 10 -26.543 -16.777 11.833 1.00 0.13 H new ATOM 0 HE1 HIS A 10 -22.862 -15.951 13.762 1.00 52.34 H new ATOM 0 HE2 HIS A 10 -25.241 -15.157 13.403 1.00 51.15 H new ATOM 164 N MET A 11 -24.728 -20.010 7.306 1.00 25.25 N ATOM 165 CA MET A 11 -24.633 -21.131 6.344 1.00 61.41 C ATOM 166 C MET A 11 -23.173 -21.309 5.837 1.00 71.53 C ATOM 167 O MET A 11 -22.444 -20.320 5.675 1.00 11.53 O ATOM 168 CB MET A 11 -25.586 -20.846 5.152 1.00 21.35 C ATOM 169 CG MET A 11 -27.059 -20.659 5.544 1.00 73.31 C ATOM 170 SD MET A 11 -28.061 -19.987 4.196 1.00 33.04 S ATOM 171 CE MET A 11 -27.827 -21.211 2.901 1.00 24.21 C ATOM 0 H MET A 11 -25.029 -19.136 6.874 1.00 25.25 H new ATOM 0 HA MET A 11 -24.925 -22.056 6.841 1.00 61.41 H new ATOM 0 HB2 MET A 11 -25.244 -19.949 4.636 1.00 21.35 H new ATOM 0 HB3 MET A 11 -25.514 -21.669 4.441 1.00 21.35 H new ATOM 0 HG2 MET A 11 -27.472 -21.618 5.855 1.00 73.31 H new ATOM 0 HG3 MET A 11 -27.120 -19.992 6.404 1.00 73.31 H new ATOM 0 HE1 MET A 11 -28.511 -21.005 2.078 1.00 24.21 H new ATOM 0 HE2 MET A 11 -26.800 -21.166 2.539 1.00 24.21 H new ATOM 0 HE3 MET A 11 -28.028 -22.205 3.300 1.00 24.21 H new ATOM 181 N ILE A 12 -22.758 -22.571 5.585 1.00 63.44 N ATOM 182 CA ILE A 12 -21.398 -22.888 5.071 1.00 64.21 C ATOM 183 C ILE A 12 -21.235 -22.397 3.600 1.00 43.20 C ATOM 184 O ILE A 12 -21.555 -23.114 2.643 1.00 63.51 O ATOM 185 CB ILE A 12 -21.083 -24.439 5.186 1.00 1.11 C ATOM 186 CG1 ILE A 12 -21.299 -24.942 6.653 1.00 22.43 C ATOM 187 CG2 ILE A 12 -19.641 -24.766 4.699 1.00 21.44 C ATOM 188 CD1 ILE A 12 -21.133 -26.449 6.858 1.00 22.43 C ATOM 0 H ILE A 12 -23.345 -23.392 5.729 1.00 63.44 H new ATOM 0 HA ILE A 12 -20.676 -22.357 5.692 1.00 64.21 H new ATOM 0 HB ILE A 12 -21.780 -24.966 4.534 1.00 1.11 H new ATOM 0 HG12 ILE A 12 -20.596 -24.424 7.305 1.00 22.43 H new ATOM 0 HG13 ILE A 12 -22.301 -24.656 6.974 1.00 22.43 H new ATOM 0 HG21 ILE A 12 -19.460 -25.837 4.792 1.00 21.44 H new ATOM 0 HG22 ILE A 12 -19.533 -24.469 3.656 1.00 21.44 H new ATOM 0 HG23 ILE A 12 -18.919 -24.222 5.308 1.00 21.44 H new ATOM 0 HD11 ILE A 12 -21.303 -26.694 7.906 1.00 22.43 H new ATOM 0 HD12 ILE A 12 -21.855 -26.982 6.239 1.00 22.43 H new ATOM 0 HD13 ILE A 12 -20.123 -26.746 6.575 1.00 22.43 H new ATOM 200 N LYS A 13 -20.813 -21.125 3.453 1.00 65.14 N ATOM 201 CA LYS A 13 -20.572 -20.464 2.141 1.00 24.05 C ATOM 202 C LYS A 13 -19.252 -19.639 2.153 1.00 43.13 C ATOM 203 O LYS A 13 -18.887 -19.024 1.148 1.00 14.14 O ATOM 204 CB LYS A 13 -21.788 -19.551 1.774 1.00 64.24 C ATOM 205 CG LYS A 13 -23.057 -20.307 1.304 1.00 4.45 C ATOM 206 CD LYS A 13 -22.837 -21.043 -0.043 1.00 12.13 C ATOM 207 CE LYS A 13 -24.089 -21.801 -0.527 1.00 60.33 C ATOM 208 NZ LYS A 13 -24.459 -22.921 0.377 1.00 53.55 N ATOM 0 H LYS A 13 -20.626 -20.515 4.248 1.00 65.14 H new ATOM 0 HA LYS A 13 -20.466 -21.240 1.383 1.00 24.05 H new ATOM 0 HB2 LYS A 13 -22.045 -18.947 2.644 1.00 64.24 H new ATOM 0 HB3 LYS A 13 -21.481 -18.862 0.987 1.00 64.24 H new ATOM 0 HG2 LYS A 13 -23.351 -21.029 2.066 1.00 4.45 H new ATOM 0 HG3 LYS A 13 -23.881 -19.601 1.200 1.00 4.45 H new ATOM 0 HD2 LYS A 13 -22.541 -20.319 -0.802 1.00 12.13 H new ATOM 0 HD3 LYS A 13 -22.012 -21.747 0.065 1.00 12.13 H new ATOM 0 HE2 LYS A 13 -24.925 -21.106 -0.600 1.00 60.33 H new ATOM 0 HE3 LYS A 13 -23.909 -22.191 -1.529 1.00 60.33 H new ATOM 0 HZ1 LYS A 13 -25.275 -23.431 -0.018 1.00 53.55 H new ATOM 0 HZ2 LYS A 13 -23.655 -23.574 0.468 1.00 53.55 H new ATOM 0 HZ3 LYS A 13 -24.707 -22.544 1.314 1.00 53.55 H new ATOM 222 N ARG A 14 -18.532 -19.658 3.294 1.00 11.34 N ATOM 223 CA ARG A 14 -17.243 -18.925 3.474 1.00 54.30 C ATOM 224 C ARG A 14 -16.042 -19.774 2.957 1.00 14.25 C ATOM 225 O ARG A 14 -14.908 -19.294 2.885 1.00 34.24 O ATOM 226 CB ARG A 14 -17.045 -18.603 4.982 1.00 33.33 C ATOM 227 CG ARG A 14 -18.251 -17.907 5.663 1.00 52.31 C ATOM 228 CD ARG A 14 -18.127 -17.910 7.198 1.00 51.12 C ATOM 229 NE ARG A 14 -18.014 -19.289 7.732 1.00 32.40 N ATOM 230 CZ ARG A 14 -17.876 -19.612 8.999 1.00 63.53 C ATOM 231 NH1 ARG A 14 -17.884 -18.711 9.930 1.00 11.41 N ATOM 232 NH2 ARG A 14 -17.742 -20.852 9.330 1.00 71.45 N ATOM 0 H ARG A 14 -18.820 -20.180 4.122 1.00 11.34 H new ATOM 0 HA ARG A 14 -17.282 -18.001 2.896 1.00 54.30 H new ATOM 0 HB2 ARG A 14 -16.833 -19.531 5.512 1.00 33.33 H new ATOM 0 HB3 ARG A 14 -16.167 -17.966 5.091 1.00 33.33 H new ATOM 0 HG2 ARG A 14 -18.325 -16.879 5.307 1.00 52.31 H new ATOM 0 HG3 ARG A 14 -19.172 -18.412 5.373 1.00 52.31 H new ATOM 0 HD2 ARG A 14 -17.252 -17.331 7.494 1.00 51.12 H new ATOM 0 HD3 ARG A 14 -18.997 -17.420 7.635 1.00 51.12 H new ATOM 0 HE ARG A 14 -18.046 -20.053 7.058 1.00 32.40 H new ATOM 0 HH11 ARG A 14 -17.999 -17.727 9.687 1.00 11.41 H new ATOM 0 HH12 ARG A 14 -17.775 -18.986 10.906 1.00 11.41 H new ATOM 0 HH21 ARG A 14 -17.744 -21.575 8.610 1.00 71.45 H new ATOM 0 HH22 ARG A 14 -17.635 -21.109 10.311 1.00 71.45 H new ATOM 246 N THR A 15 -16.337 -21.034 2.580 1.00 11.30 N ATOM 247 CA THR A 15 -15.340 -22.051 2.153 1.00 23.42 C ATOM 248 C THR A 15 -14.798 -21.811 0.709 1.00 44.35 C ATOM 249 O THR A 15 -14.057 -22.637 0.168 1.00 33.53 O ATOM 250 CB THR A 15 -15.979 -23.491 2.267 1.00 25.14 C ATOM 251 OG1 THR A 15 -15.035 -24.518 1.902 1.00 53.52 O ATOM 252 CG2 THR A 15 -17.263 -23.635 1.415 1.00 4.22 C ATOM 0 H THR A 15 -17.294 -21.386 2.562 1.00 11.30 H new ATOM 0 HA THR A 15 -14.482 -21.964 2.820 1.00 23.42 H new ATOM 0 HB THR A 15 -16.254 -23.618 3.314 1.00 25.14 H new ATOM 0 HG1 THR A 15 -14.413 -24.167 1.231 1.00 53.52 H new ATOM 0 HG21 THR A 15 -17.663 -24.643 1.528 1.00 4.22 H new ATOM 0 HG22 THR A 15 -18.005 -22.910 1.750 1.00 4.22 H new ATOM 0 HG23 THR A 15 -17.026 -23.454 0.367 1.00 4.22 H new ATOM 260 N ASN A 16 -15.162 -20.668 0.094 1.00 2.04 N ATOM 261 CA ASN A 16 -14.749 -20.314 -1.280 1.00 14.31 C ATOM 262 C ASN A 16 -13.482 -19.405 -1.269 1.00 14.21 C ATOM 263 O ASN A 16 -12.365 -19.897 -1.469 1.00 40.34 O ATOM 264 CB ASN A 16 -15.929 -19.619 -2.028 1.00 54.11 C ATOM 265 CG ASN A 16 -17.203 -20.473 -2.122 1.00 54.20 C ATOM 266 OD1 ASN A 16 -17.505 -21.285 -1.252 1.00 3.31 O ATOM 267 ND2 ASN A 16 -17.968 -20.289 -3.178 1.00 30.32 N ATOM 0 H ASN A 16 -15.752 -19.963 0.536 1.00 2.04 H new ATOM 0 HA ASN A 16 -14.490 -21.230 -1.811 1.00 14.31 H new ATOM 0 HB2 ASN A 16 -16.167 -18.685 -1.519 1.00 54.11 H new ATOM 0 HB3 ASN A 16 -15.604 -19.359 -3.035 1.00 54.11 H new ATOM 0 HD21 ASN A 16 -18.829 -20.826 -3.284 1.00 30.32 H new ATOM 0 HD22 ASN A 16 -17.700 -19.610 -3.890 1.00 30.32 H new ATOM 274 N GLU A 17 -13.682 -18.092 -0.978 1.00 2.53 N ATOM 275 CA GLU A 17 -12.634 -17.036 -1.044 1.00 40.41 C ATOM 276 C GLU A 17 -11.866 -17.024 -2.412 1.00 51.24 C ATOM 277 O GLU A 17 -10.811 -17.660 -2.553 1.00 21.12 O ATOM 278 CB GLU A 17 -11.657 -17.120 0.178 1.00 64.44 C ATOM 279 CG GLU A 17 -10.520 -16.062 0.206 1.00 5.43 C ATOM 280 CD GLU A 17 -10.992 -14.593 0.213 1.00 3.43 C ATOM 281 OE1 GLU A 17 -11.895 -14.242 1.009 1.00 33.03 O ATOM 282 OE2 GLU A 17 -10.418 -13.768 -0.535 1.00 43.24 O ATOM 0 H GLU A 17 -14.590 -17.731 -0.686 1.00 2.53 H new ATOM 0 HA GLU A 17 -13.153 -16.079 -0.984 1.00 40.41 H new ATOM 0 HB2 GLU A 17 -12.241 -17.023 1.093 1.00 64.44 H new ATOM 0 HB3 GLU A 17 -11.205 -18.112 0.191 1.00 64.44 H new ATOM 0 HG2 GLU A 17 -9.906 -16.234 1.090 1.00 5.43 H new ATOM 0 HG3 GLU A 17 -9.879 -16.217 -0.662 1.00 5.43 H new ATOM 289 N PRO A 18 -12.432 -16.346 -3.463 1.00 34.25 N ATOM 290 CA PRO A 18 -11.710 -16.095 -4.739 1.00 72.42 C ATOM 291 C PRO A 18 -10.602 -15.014 -4.614 1.00 25.31 C ATOM 292 O PRO A 18 -10.538 -14.269 -3.629 1.00 22.42 O ATOM 293 CB PRO A 18 -12.840 -15.638 -5.698 1.00 74.12 C ATOM 294 CG PRO A 18 -13.856 -15.006 -4.795 1.00 51.43 C ATOM 295 CD PRO A 18 -13.824 -15.823 -3.514 1.00 11.32 C ATOM 0 HA PRO A 18 -11.172 -16.978 -5.083 1.00 72.42 H new ATOM 0 HB2 PRO A 18 -12.471 -14.929 -6.439 1.00 74.12 H new ATOM 0 HB3 PRO A 18 -13.263 -16.481 -6.245 1.00 74.12 H new ATOM 0 HG2 PRO A 18 -13.613 -13.961 -4.601 1.00 51.43 H new ATOM 0 HG3 PRO A 18 -14.848 -15.023 -5.247 1.00 51.43 H new ATOM 0 HD2 PRO A 18 -14.053 -15.210 -2.642 1.00 11.32 H new ATOM 0 HD3 PRO A 18 -14.555 -16.631 -3.536 1.00 11.32 H new ATOM 303 N LEU A 19 -9.750 -14.938 -5.650 1.00 2.21 N ATOM 304 CA LEU A 19 -8.604 -13.998 -5.716 1.00 21.12 C ATOM 305 C LEU A 19 -9.098 -12.523 -5.783 1.00 22.43 C ATOM 306 O LEU A 19 -8.460 -11.615 -5.239 1.00 14.44 O ATOM 307 CB LEU A 19 -7.705 -14.369 -6.952 1.00 13.21 C ATOM 308 CG LEU A 19 -6.153 -14.241 -6.777 1.00 24.44 C ATOM 309 CD1 LEU A 19 -5.687 -12.782 -6.638 1.00 22.41 C ATOM 310 CD2 LEU A 19 -5.660 -15.098 -5.589 1.00 73.33 C ATOM 0 H LEU A 19 -9.833 -15.530 -6.476 1.00 2.21 H new ATOM 0 HA LEU A 19 -8.005 -14.088 -4.810 1.00 21.12 H new ATOM 0 HB2 LEU A 19 -7.929 -15.398 -7.235 1.00 13.21 H new ATOM 0 HB3 LEU A 19 -8.003 -13.736 -7.788 1.00 13.21 H new ATOM 0 HG LEU A 19 -5.702 -14.624 -7.692 1.00 24.44 H new ATOM 0 HD11 LEU A 19 -4.604 -12.756 -6.520 1.00 22.41 H new ATOM 0 HD12 LEU A 19 -5.968 -12.224 -7.531 1.00 22.41 H new ATOM 0 HD13 LEU A 19 -6.158 -12.331 -5.765 1.00 22.41 H new ATOM 0 HD21 LEU A 19 -4.580 -14.993 -5.488 1.00 73.33 H new ATOM 0 HD22 LEU A 19 -6.145 -14.762 -4.672 1.00 73.33 H new ATOM 0 HD23 LEU A 19 -5.907 -16.144 -5.768 1.00 73.33 H new ATOM 322 N ASP A 20 -10.242 -12.318 -6.459 1.00 51.43 N ATOM 323 CA ASP A 20 -10.904 -11.000 -6.568 1.00 11.12 C ATOM 324 C ASP A 20 -11.467 -10.501 -5.214 1.00 55.42 C ATOM 325 O ASP A 20 -11.569 -9.291 -5.004 1.00 43.10 O ATOM 326 CB ASP A 20 -12.016 -11.060 -7.645 1.00 75.21 C ATOM 327 CG ASP A 20 -11.448 -11.208 -9.069 1.00 44.04 C ATOM 328 OD1 ASP A 20 -10.893 -12.281 -9.391 1.00 30.04 O ATOM 329 OD2 ASP A 20 -11.546 -10.255 -9.867 1.00 73.22 O ATOM 0 H ASP A 20 -10.738 -13.063 -6.948 1.00 51.43 H new ATOM 0 HA ASP A 20 -10.148 -10.275 -6.869 1.00 11.12 H new ATOM 0 HB2 ASP A 20 -12.679 -11.899 -7.432 1.00 75.21 H new ATOM 0 HB3 ASP A 20 -12.620 -10.154 -7.590 1.00 75.21 H new ATOM 334 N LYS A 21 -11.840 -11.431 -4.302 1.00 23.14 N ATOM 335 CA LYS A 21 -12.218 -11.061 -2.913 1.00 41.51 C ATOM 336 C LYS A 21 -11.008 -10.513 -2.137 1.00 24.11 C ATOM 337 O LYS A 21 -11.156 -9.543 -1.390 1.00 1.42 O ATOM 338 CB LYS A 21 -12.881 -12.236 -2.135 1.00 61.33 C ATOM 339 CG LYS A 21 -14.420 -12.226 -2.196 1.00 14.01 C ATOM 340 CD LYS A 21 -15.061 -13.174 -1.154 1.00 73.55 C ATOM 341 CE LYS A 21 -16.574 -12.942 -1.028 1.00 13.15 C ATOM 342 NZ LYS A 21 -16.888 -11.553 -0.596 1.00 25.22 N ATOM 0 H LYS A 21 -11.888 -12.431 -4.498 1.00 23.14 H new ATOM 0 HA LYS A 21 -12.967 -10.273 -2.998 1.00 41.51 H new ATOM 0 HB2 LYS A 21 -12.516 -13.180 -2.539 1.00 61.33 H new ATOM 0 HB3 LYS A 21 -12.567 -12.193 -1.092 1.00 61.33 H new ATOM 0 HG2 LYS A 21 -14.780 -11.211 -2.029 1.00 14.01 H new ATOM 0 HG3 LYS A 21 -14.743 -12.518 -3.195 1.00 14.01 H new ATOM 0 HD2 LYS A 21 -14.874 -14.209 -1.441 1.00 73.55 H new ATOM 0 HD3 LYS A 21 -14.588 -13.022 -0.184 1.00 73.55 H new ATOM 0 HE2 LYS A 21 -17.053 -13.141 -1.987 1.00 13.15 H new ATOM 0 HE3 LYS A 21 -16.991 -13.649 -0.310 1.00 13.15 H new ATOM 0 HZ1 LYS A 21 -17.849 -11.521 -0.200 1.00 25.22 H new ATOM 0 HZ2 LYS A 21 -16.205 -11.252 0.129 1.00 25.22 H new ATOM 0 HZ3 LYS A 21 -16.829 -10.913 -1.414 1.00 25.22 H new ATOM 356 N LYS A 22 -9.822 -11.147 -2.305 1.00 1.34 N ATOM 357 CA LYS A 22 -8.556 -10.620 -1.735 1.00 33.34 C ATOM 358 C LYS A 22 -8.274 -9.192 -2.260 1.00 25.21 C ATOM 359 O LYS A 22 -8.096 -8.271 -1.469 1.00 70.12 O ATOM 360 CB LYS A 22 -7.347 -11.549 -2.047 1.00 64.13 C ATOM 361 CG LYS A 22 -5.996 -11.011 -1.498 1.00 41.53 C ATOM 362 CD LYS A 22 -4.788 -11.944 -1.752 1.00 21.50 C ATOM 363 CE LYS A 22 -4.433 -12.101 -3.235 1.00 65.10 C ATOM 364 NZ LYS A 22 -3.229 -12.953 -3.435 1.00 44.50 N ATOM 0 H LYS A 22 -9.715 -12.017 -2.826 1.00 1.34 H new ATOM 0 HA LYS A 22 -8.681 -10.586 -0.653 1.00 33.34 H new ATOM 0 HB2 LYS A 22 -7.537 -12.535 -1.622 1.00 64.13 H new ATOM 0 HB3 LYS A 22 -7.266 -11.678 -3.126 1.00 64.13 H new ATOM 0 HG2 LYS A 22 -5.793 -10.041 -1.953 1.00 41.53 H new ATOM 0 HG3 LYS A 22 -6.093 -10.846 -0.425 1.00 41.53 H new ATOM 0 HD2 LYS A 22 -3.921 -11.554 -1.219 1.00 21.50 H new ATOM 0 HD3 LYS A 22 -5.005 -12.927 -1.333 1.00 21.50 H new ATOM 0 HE2 LYS A 22 -5.279 -12.539 -3.765 1.00 65.10 H new ATOM 0 HE3 LYS A 22 -4.257 -11.118 -3.671 1.00 65.10 H new ATOM 0 HZ1 LYS A 22 -2.511 -12.420 -3.966 1.00 44.50 H new ATOM 0 HZ2 LYS A 22 -2.842 -13.229 -2.510 1.00 44.50 H new ATOM 0 HZ3 LYS A 22 -3.492 -13.806 -3.969 1.00 44.50 H new ATOM 378 N ARG A 23 -8.279 -9.035 -3.603 1.00 61.53 N ATOM 379 CA ARG A 23 -8.039 -7.736 -4.287 1.00 62.04 C ATOM 380 C ARG A 23 -8.980 -6.615 -3.770 1.00 62.41 C ATOM 381 O ARG A 23 -8.513 -5.554 -3.351 1.00 40.55 O ATOM 382 CB ARG A 23 -8.196 -7.919 -5.827 1.00 34.10 C ATOM 383 CG ARG A 23 -8.171 -6.602 -6.648 1.00 3.41 C ATOM 384 CD ARG A 23 -8.260 -6.831 -8.167 1.00 24.44 C ATOM 385 NE ARG A 23 -7.029 -7.427 -8.712 1.00 24.23 N ATOM 386 CZ ARG A 23 -6.954 -8.212 -9.764 1.00 33.22 C ATOM 387 NH1 ARG A 23 -8.020 -8.646 -10.367 1.00 34.43 N ATOM 388 NH2 ARG A 23 -5.793 -8.579 -10.197 1.00 63.45 N ATOM 0 H ARG A 23 -8.450 -9.806 -4.249 1.00 61.53 H new ATOM 0 HA ARG A 23 -7.021 -7.421 -4.058 1.00 62.04 H new ATOM 0 HB2 ARG A 23 -7.396 -8.568 -6.184 1.00 34.10 H new ATOM 0 HB3 ARG A 23 -9.136 -8.434 -6.023 1.00 34.10 H new ATOM 0 HG2 ARG A 23 -9.001 -5.970 -6.333 1.00 3.41 H new ATOM 0 HG3 ARG A 23 -7.253 -6.059 -6.422 1.00 3.41 H new ATOM 0 HD2 ARG A 23 -9.105 -7.484 -8.386 1.00 24.44 H new ATOM 0 HD3 ARG A 23 -8.453 -5.881 -8.665 1.00 24.44 H new ATOM 0 HE ARG A 23 -6.156 -7.212 -8.230 1.00 24.23 H new ATOM 0 HH11 ARG A 23 -8.943 -8.379 -10.026 1.00 34.43 H new ATOM 0 HH12 ARG A 23 -7.933 -9.254 -11.181 1.00 34.43 H new ATOM 0 HH21 ARG A 23 -4.948 -8.260 -9.723 1.00 63.45 H new ATOM 0 HH22 ARG A 23 -5.722 -9.188 -11.012 1.00 63.45 H new ATOM 402 N ALA A 24 -10.295 -6.883 -3.787 1.00 53.41 N ATOM 403 CA ALA A 24 -11.326 -5.924 -3.322 1.00 51.44 C ATOM 404 C ALA A 24 -11.138 -5.550 -1.831 1.00 10.14 C ATOM 405 O ALA A 24 -11.311 -4.394 -1.442 1.00 1.52 O ATOM 406 CB ALA A 24 -12.727 -6.510 -3.550 1.00 4.30 C ATOM 0 H ALA A 24 -10.679 -7.767 -4.121 1.00 53.41 H new ATOM 0 HA ALA A 24 -11.215 -5.009 -3.904 1.00 51.44 H new ATOM 0 HB1 ALA A 24 -13.479 -5.800 -3.206 1.00 4.30 H new ATOM 0 HB2 ALA A 24 -12.871 -6.705 -4.613 1.00 4.30 H new ATOM 0 HB3 ALA A 24 -12.827 -7.442 -2.993 1.00 4.30 H new ATOM 412 N ARG A 25 -10.780 -6.554 -1.015 1.00 41.33 N ATOM 413 CA ARG A 25 -10.531 -6.383 0.434 1.00 3.14 C ATOM 414 C ARG A 25 -9.236 -5.579 0.710 1.00 21.10 C ATOM 415 O ARG A 25 -9.156 -4.866 1.705 1.00 52.04 O ATOM 416 CB ARG A 25 -10.496 -7.772 1.116 1.00 50.11 C ATOM 417 CG ARG A 25 -10.326 -7.767 2.658 1.00 1.23 C ATOM 418 CD ARG A 25 -10.525 -9.172 3.269 1.00 12.20 C ATOM 419 NE ARG A 25 -9.631 -10.178 2.656 1.00 32.11 N ATOM 420 CZ ARG A 25 -10.006 -11.189 1.891 1.00 15.24 C ATOM 421 NH1 ARG A 25 -11.248 -11.384 1.564 1.00 21.11 N ATOM 422 NH2 ARG A 25 -9.114 -11.994 1.430 1.00 12.34 N ATOM 0 H ARG A 25 -10.653 -7.513 -1.338 1.00 41.33 H new ATOM 0 HA ARG A 25 -11.347 -5.799 0.860 1.00 3.14 H new ATOM 0 HB2 ARG A 25 -11.420 -8.297 0.874 1.00 50.11 H new ATOM 0 HB3 ARG A 25 -9.679 -8.348 0.682 1.00 50.11 H new ATOM 0 HG2 ARG A 25 -9.332 -7.399 2.911 1.00 1.23 H new ATOM 0 HG3 ARG A 25 -11.044 -7.075 3.099 1.00 1.23 H new ATOM 0 HD2 ARG A 25 -10.340 -9.129 4.342 1.00 12.20 H new ATOM 0 HD3 ARG A 25 -11.562 -9.481 3.136 1.00 12.20 H new ATOM 0 HE ARG A 25 -8.632 -10.083 2.841 1.00 32.11 H new ATOM 0 HH11 ARG A 25 -11.970 -10.746 1.900 1.00 21.11 H new ATOM 0 HH12 ARG A 25 -11.501 -12.175 0.972 1.00 21.11 H new ATOM 0 HH21 ARG A 25 -8.130 -11.848 1.656 1.00 12.34 H new ATOM 0 HH22 ARG A 25 -9.391 -12.778 0.839 1.00 12.34 H new ATOM 436 N LEU A 26 -8.226 -5.700 -0.175 1.00 3.43 N ATOM 437 CA LEU A 26 -6.986 -4.890 -0.083 1.00 41.31 C ATOM 438 C LEU A 26 -7.270 -3.408 -0.424 1.00 63.25 C ATOM 439 O LEU A 26 -6.790 -2.502 0.265 1.00 64.14 O ATOM 440 CB LEU A 26 -5.888 -5.441 -1.022 1.00 2.01 C ATOM 441 CG LEU A 26 -5.390 -6.891 -0.749 1.00 74.04 C ATOM 442 CD1 LEU A 26 -4.345 -7.324 -1.795 1.00 42.21 C ATOM 443 CD2 LEU A 26 -4.852 -7.019 0.686 1.00 51.50 C ATOM 0 H LEU A 26 -8.241 -6.349 -0.962 1.00 3.43 H new ATOM 0 HA LEU A 26 -6.629 -4.954 0.945 1.00 41.31 H new ATOM 0 HB2 LEU A 26 -6.263 -5.398 -2.044 1.00 2.01 H new ATOM 0 HB3 LEU A 26 -5.029 -4.772 -0.969 1.00 2.01 H new ATOM 0 HG LEU A 26 -6.238 -7.569 -0.843 1.00 74.04 H new ATOM 0 HD11 LEU A 26 -4.015 -8.340 -1.580 1.00 42.21 H new ATOM 0 HD12 LEU A 26 -4.790 -7.290 -2.790 1.00 42.21 H new ATOM 0 HD13 LEU A 26 -3.490 -6.649 -1.756 1.00 42.21 H new ATOM 0 HD21 LEU A 26 -4.509 -8.040 0.856 1.00 51.50 H new ATOM 0 HD22 LEU A 26 -4.020 -6.329 0.826 1.00 51.50 H new ATOM 0 HD23 LEU A 26 -5.645 -6.780 1.395 1.00 51.50 H new ATOM 455 N ILE A 27 -8.056 -3.187 -1.502 1.00 72.34 N ATOM 456 CA ILE A 27 -8.554 -1.843 -1.883 1.00 10.31 C ATOM 457 C ILE A 27 -9.427 -1.235 -0.745 1.00 34.12 C ATOM 458 O ILE A 27 -9.427 -0.027 -0.537 1.00 1.12 O ATOM 459 CB ILE A 27 -9.367 -1.880 -3.244 1.00 54.23 C ATOM 460 CG1 ILE A 27 -8.502 -2.485 -4.397 1.00 52.20 C ATOM 461 CG2 ILE A 27 -9.884 -0.466 -3.636 1.00 23.35 C ATOM 462 CD1 ILE A 27 -9.212 -2.667 -5.734 1.00 51.11 C ATOM 0 H ILE A 27 -8.362 -3.930 -2.130 1.00 72.34 H new ATOM 0 HA ILE A 27 -7.683 -1.206 -2.036 1.00 10.31 H new ATOM 0 HB ILE A 27 -10.233 -2.524 -3.089 1.00 54.23 H new ATOM 0 HG12 ILE A 27 -7.636 -1.842 -4.552 1.00 52.20 H new ATOM 0 HG13 ILE A 27 -8.125 -3.455 -4.072 1.00 52.20 H new ATOM 0 HG21 ILE A 27 -10.437 -0.528 -4.573 1.00 23.35 H new ATOM 0 HG22 ILE A 27 -10.540 -0.088 -2.852 1.00 23.35 H new ATOM 0 HG23 ILE A 27 -9.038 0.210 -3.758 1.00 23.35 H new ATOM 0 HD11 ILE A 27 -8.519 -3.093 -6.459 1.00 51.11 H new ATOM 0 HD12 ILE A 27 -10.061 -3.338 -5.607 1.00 51.11 H new ATOM 0 HD13 ILE A 27 -9.564 -1.700 -6.093 1.00 51.11 H new ATOM 474 N TYR A 28 -10.142 -2.097 0.000 1.00 11.15 N ATOM 475 CA TYR A 28 -10.920 -1.695 1.197 1.00 44.41 C ATOM 476 C TYR A 28 -9.976 -1.195 2.327 1.00 63.42 C ATOM 477 O TYR A 28 -10.142 -0.086 2.840 1.00 42.43 O ATOM 478 CB TYR A 28 -11.782 -2.894 1.679 1.00 71.35 C ATOM 479 CG TYR A 28 -12.651 -2.629 2.927 1.00 60.34 C ATOM 480 CD1 TYR A 28 -12.124 -2.758 4.223 1.00 14.51 C ATOM 481 CD2 TYR A 28 -13.996 -2.255 2.815 1.00 43.51 C ATOM 482 CE1 TYR A 28 -12.895 -2.531 5.342 1.00 10.41 C ATOM 483 CE2 TYR A 28 -14.771 -2.027 3.945 1.00 44.44 C ATOM 484 CZ TYR A 28 -14.213 -2.166 5.202 1.00 42.11 C ATOM 485 OH TYR A 28 -14.984 -1.949 6.325 1.00 71.24 O ATOM 0 H TYR A 28 -10.200 -3.094 -0.207 1.00 11.15 H new ATOM 0 HA TYR A 28 -11.580 -0.869 0.934 1.00 44.41 H new ATOM 0 HB2 TYR A 28 -12.435 -3.201 0.862 1.00 71.35 H new ATOM 0 HB3 TYR A 28 -11.120 -3.733 1.891 1.00 71.35 H new ATOM 0 HD1 TYR A 28 -11.089 -3.042 4.345 1.00 14.51 H new ATOM 0 HD2 TYR A 28 -14.437 -2.142 1.836 1.00 43.51 H new ATOM 0 HE1 TYR A 28 -12.465 -2.640 6.327 1.00 10.41 H new ATOM 0 HE2 TYR A 28 -15.807 -1.742 3.842 1.00 44.44 H new ATOM 0 HH TYR A 28 -15.892 -1.697 6.055 1.00 71.24 H new ATOM 495 N GLN A 29 -8.981 -2.034 2.684 1.00 34.22 N ATOM 496 CA GLN A 29 -8.012 -1.752 3.782 1.00 23.25 C ATOM 497 C GLN A 29 -7.084 -0.545 3.462 1.00 0.14 C ATOM 498 O GLN A 29 -6.441 0.005 4.357 1.00 24.14 O ATOM 499 CB GLN A 29 -7.144 -3.010 4.054 1.00 2.03 C ATOM 500 CG GLN A 29 -7.906 -4.262 4.530 1.00 43.34 C ATOM 501 CD GLN A 29 -7.013 -5.516 4.580 1.00 63.51 C ATOM 502 OE1 GLN A 29 -6.392 -5.816 5.594 1.00 14.35 O ATOM 503 NE2 GLN A 29 -6.920 -6.243 3.478 1.00 55.40 N ATOM 0 H GLN A 29 -8.821 -2.929 2.223 1.00 34.22 H new ATOM 0 HA GLN A 29 -8.595 -1.494 4.666 1.00 23.25 H new ATOM 0 HB2 GLN A 29 -6.606 -3.261 3.140 1.00 2.03 H new ATOM 0 HB3 GLN A 29 -6.396 -2.756 4.805 1.00 2.03 H new ATOM 0 HG2 GLN A 29 -8.320 -4.076 5.521 1.00 43.34 H new ATOM 0 HG3 GLN A 29 -8.748 -4.446 3.862 1.00 43.34 H new ATOM 0 HE21 GLN A 29 -7.445 -5.976 2.645 1.00 55.40 H new ATOM 0 HE22 GLN A 29 -6.323 -7.070 3.462 1.00 55.40 H new ATOM 512 N SER A 30 -6.998 -0.174 2.174 1.00 74.40 N ATOM 513 CA SER A 30 -6.170 0.960 1.705 1.00 32.54 C ATOM 514 C SER A 30 -6.904 2.311 1.858 1.00 64.01 C ATOM 515 O SER A 30 -6.326 3.296 2.326 1.00 63.32 O ATOM 516 CB SER A 30 -5.782 0.739 0.233 1.00 12.42 C ATOM 517 OG SER A 30 -6.885 0.850 -0.634 1.00 45.32 O ATOM 0 H SER A 30 -7.500 -0.650 1.424 1.00 74.40 H new ATOM 0 HA SER A 30 -5.274 1.000 2.325 1.00 32.54 H new ATOM 0 HB2 SER A 30 -5.023 1.467 -0.053 1.00 12.42 H new ATOM 0 HB3 SER A 30 -5.334 -0.248 0.122 1.00 12.42 H new ATOM 0 HG SER A 30 -7.668 0.429 -0.222 1.00 45.32 H new ATOM 523 N ARG A 31 -8.184 2.330 1.429 1.00 61.45 N ATOM 524 CA ARG A 31 -9.083 3.500 1.589 1.00 14.24 C ATOM 525 C ARG A 31 -9.682 3.570 3.014 1.00 72.43 C ATOM 526 O ARG A 31 -10.508 4.444 3.301 1.00 51.01 O ATOM 527 CB ARG A 31 -10.207 3.450 0.520 1.00 34.43 C ATOM 528 CG ARG A 31 -11.152 2.229 0.630 1.00 72.41 C ATOM 529 CD ARG A 31 -12.068 2.074 -0.597 1.00 32.21 C ATOM 530 NE ARG A 31 -12.870 0.836 -0.536 1.00 0.12 N ATOM 531 CZ ARG A 31 -14.161 0.771 -0.300 1.00 71.11 C ATOM 532 NH1 ARG A 31 -14.853 1.828 0.003 1.00 23.43 N ATOM 533 NH2 ARG A 31 -14.753 -0.374 -0.354 1.00 63.41 N ATOM 0 H ARG A 31 -8.626 1.538 0.962 1.00 61.45 H new ATOM 0 HA ARG A 31 -8.493 4.405 1.444 1.00 14.24 H new ATOM 0 HB2 ARG A 31 -10.802 4.360 0.595 1.00 34.43 H new ATOM 0 HB3 ARG A 31 -9.749 3.450 -0.469 1.00 34.43 H new ATOM 0 HG2 ARG A 31 -10.557 1.324 0.750 1.00 72.41 H new ATOM 0 HG3 ARG A 31 -11.765 2.329 1.526 1.00 72.41 H new ATOM 0 HD2 ARG A 31 -12.734 2.934 -0.663 1.00 32.21 H new ATOM 0 HD3 ARG A 31 -11.462 2.069 -1.503 1.00 32.21 H new ATOM 0 HE ARG A 31 -12.380 -0.045 -0.690 1.00 0.12 H new ATOM 0 HH11 ARG A 31 -14.395 2.738 0.063 1.00 23.43 H new ATOM 0 HH12 ARG A 31 -15.854 1.748 0.181 1.00 23.43 H new ATOM 0 HH21 ARG A 31 -14.219 -1.214 -0.578 1.00 63.41 H new ATOM 0 HH22 ARG A 31 -15.755 -0.439 -0.173 1.00 63.41 H new ATOM 547 N LYS A 32 -9.300 2.619 3.888 1.00 0.15 N ATOM 548 CA LYS A 32 -9.584 2.694 5.332 1.00 21.01 C ATOM 549 C LYS A 32 -8.239 2.795 6.110 1.00 5.23 C ATOM 550 O LYS A 32 -7.509 1.806 6.212 1.00 70.11 O ATOM 551 CB LYS A 32 -10.383 1.428 5.751 1.00 2.32 C ATOM 552 CG LYS A 32 -11.241 1.594 7.021 1.00 55.15 C ATOM 553 CD LYS A 32 -11.955 0.289 7.414 1.00 22.40 C ATOM 554 CE LYS A 32 -13.010 0.487 8.520 1.00 41.31 C ATOM 555 NZ LYS A 32 -12.454 1.176 9.715 1.00 4.24 N ATOM 0 H LYS A 32 -8.788 1.781 3.613 1.00 0.15 H new ATOM 0 HA LYS A 32 -10.182 3.576 5.564 1.00 21.01 H new ATOM 0 HB2 LYS A 32 -11.033 1.137 4.926 1.00 2.32 H new ATOM 0 HB3 LYS A 32 -9.681 0.609 5.908 1.00 2.32 H new ATOM 0 HG2 LYS A 32 -10.608 1.922 7.845 1.00 55.15 H new ATOM 0 HG3 LYS A 32 -11.982 2.377 6.857 1.00 55.15 H new ATOM 0 HD2 LYS A 32 -12.436 -0.135 6.533 1.00 22.40 H new ATOM 0 HD3 LYS A 32 -11.214 -0.436 7.752 1.00 22.40 H new ATOM 0 HE2 LYS A 32 -13.843 1.067 8.124 1.00 41.31 H new ATOM 0 HE3 LYS A 32 -13.409 -0.483 8.816 1.00 41.31 H new ATOM 0 HZ1 LYS A 32 -13.181 1.226 10.457 1.00 4.24 H new ATOM 0 HZ2 LYS A 32 -11.633 0.646 10.070 1.00 4.24 H new ATOM 0 HZ3 LYS A 32 -12.159 2.139 9.455 1.00 4.24 H new ATOM 569 N ARG A 33 -7.946 3.973 6.699 1.00 32.45 N ATOM 570 CA ARG A 33 -6.708 4.239 7.493 1.00 12.44 C ATOM 571 C ARG A 33 -7.065 5.006 8.794 1.00 41.22 C ATOM 572 O ARG A 33 -8.242 5.154 9.141 1.00 1.14 O ATOM 573 CB ARG A 33 -5.683 5.096 6.662 1.00 63.03 C ATOM 574 CG ARG A 33 -5.042 4.436 5.408 1.00 31.53 C ATOM 575 CD ARG A 33 -4.043 3.295 5.732 1.00 43.24 C ATOM 576 NE ARG A 33 -4.710 2.013 6.001 1.00 41.22 N ATOM 577 CZ ARG A 33 -4.226 1.015 6.706 1.00 43.14 C ATOM 578 NH1 ARG A 33 -3.066 1.070 7.294 1.00 44.42 N ATOM 579 NH2 ARG A 33 -4.928 -0.054 6.829 1.00 74.03 N ATOM 0 H ARG A 33 -8.564 4.782 6.641 1.00 32.45 H new ATOM 0 HA ARG A 33 -6.254 3.279 7.739 1.00 12.44 H new ATOM 0 HB2 ARG A 33 -6.189 6.006 6.341 1.00 63.03 H new ATOM 0 HB3 ARG A 33 -4.878 5.398 7.331 1.00 63.03 H new ATOM 0 HG2 ARG A 33 -5.835 4.040 4.774 1.00 31.53 H new ATOM 0 HG3 ARG A 33 -4.526 5.203 4.831 1.00 31.53 H new ATOM 0 HD2 ARG A 33 -3.355 3.173 4.896 1.00 43.24 H new ATOM 0 HD3 ARG A 33 -3.445 3.577 6.599 1.00 43.24 H new ATOM 0 HE ARG A 33 -5.640 1.885 5.601 1.00 41.22 H new ATOM 0 HH11 ARG A 33 -2.495 1.911 7.217 1.00 44.42 H new ATOM 0 HH12 ARG A 33 -2.728 0.272 7.832 1.00 44.42 H new ATOM 0 HH21 ARG A 33 -5.843 -0.117 6.384 1.00 74.03 H new ATOM 0 HH22 ARG A 33 -4.570 -0.840 7.372 1.00 74.03 H new ATOM 593 N GLY A 34 -6.026 5.471 9.520 1.00 50.42 N ATOM 594 CA GLY A 34 -6.205 6.414 10.634 1.00 1.22 C ATOM 595 C GLY A 34 -6.166 7.882 10.172 1.00 33.51 C ATOM 596 O GLY A 34 -6.762 8.757 10.811 1.00 62.01 O ATOM 0 H GLY A 34 -5.056 5.206 9.351 1.00 50.42 H new ATOM 0 HA2 GLY A 34 -7.158 6.216 11.125 1.00 1.22 H new ATOM 0 HA3 GLY A 34 -5.424 6.248 11.376 1.00 1.22 H new ATOM 600 N ILE A 35 -5.454 8.147 9.047 1.00 45.42 N ATOM 601 CA ILE A 35 -5.298 9.510 8.473 1.00 13.00 C ATOM 602 C ILE A 35 -5.715 9.554 6.980 1.00 11.12 C ATOM 603 O ILE A 35 -5.424 8.625 6.214 1.00 25.11 O ATOM 604 CB ILE A 35 -3.816 10.034 8.616 1.00 45.24 C ATOM 605 CG1 ILE A 35 -2.803 9.081 7.908 1.00 41.44 C ATOM 606 CG2 ILE A 35 -3.449 10.243 10.105 1.00 1.30 C ATOM 607 CD1 ILE A 35 -1.364 9.548 7.915 1.00 61.04 C ATOM 0 H ILE A 35 -4.972 7.424 8.513 1.00 45.42 H new ATOM 0 HA ILE A 35 -5.960 10.162 9.043 1.00 13.00 H new ATOM 0 HB ILE A 35 -3.753 11.000 8.116 1.00 45.24 H new ATOM 0 HG12 ILE A 35 -2.853 8.103 8.387 1.00 41.44 H new ATOM 0 HG13 ILE A 35 -3.119 8.945 6.874 1.00 41.44 H new ATOM 0 HG21 ILE A 35 -2.423 10.604 10.180 1.00 1.30 H new ATOM 0 HG22 ILE A 35 -4.125 10.975 10.547 1.00 1.30 H new ATOM 0 HG23 ILE A 35 -3.540 9.297 10.638 1.00 1.30 H new ATOM 0 HD11 ILE A 35 -0.742 8.817 7.399 1.00 61.04 H new ATOM 0 HD12 ILE A 35 -1.291 10.510 7.407 1.00 61.04 H new ATOM 0 HD13 ILE A 35 -1.021 9.655 8.944 1.00 61.04 H new ATOM 619 N LEU A 36 -6.372 10.664 6.581 1.00 61.34 N ATOM 620 CA LEU A 36 -6.849 10.889 5.190 1.00 62.23 C ATOM 621 C LEU A 36 -5.655 11.091 4.212 1.00 5.24 C ATOM 622 O LEU A 36 -5.781 10.865 3.012 1.00 32.41 O ATOM 623 CB LEU A 36 -7.863 12.095 5.167 1.00 10.43 C ATOM 624 CG LEU A 36 -9.024 12.072 4.093 1.00 21.10 C ATOM 625 CD1 LEU A 36 -8.536 12.377 2.665 1.00 53.43 C ATOM 626 CD2 LEU A 36 -9.803 10.735 4.139 1.00 0.11 C ATOM 0 H LEU A 36 -6.590 11.435 7.213 1.00 61.34 H new ATOM 0 HA LEU A 36 -7.379 10.002 4.842 1.00 62.23 H new ATOM 0 HB2 LEU A 36 -8.322 12.163 6.153 1.00 10.43 H new ATOM 0 HB3 LEU A 36 -7.290 13.010 5.019 1.00 10.43 H new ATOM 0 HG LEU A 36 -9.704 12.880 4.364 1.00 21.10 H new ATOM 0 HD11 LEU A 36 -9.381 12.345 1.977 1.00 53.43 H new ATOM 0 HD12 LEU A 36 -8.084 13.368 2.639 1.00 53.43 H new ATOM 0 HD13 LEU A 36 -7.797 11.633 2.366 1.00 53.43 H new ATOM 0 HD21 LEU A 36 -10.594 10.749 3.390 1.00 0.11 H new ATOM 0 HD22 LEU A 36 -9.122 9.910 3.932 1.00 0.11 H new ATOM 0 HD23 LEU A 36 -10.242 10.604 5.128 1.00 0.11 H new ATOM 638 N GLU A 37 -4.489 11.484 4.756 1.00 22.25 N ATOM 639 CA GLU A 37 -3.239 11.687 3.975 1.00 51.30 C ATOM 640 C GLU A 37 -2.788 10.371 3.297 1.00 35.45 C ATOM 641 O GLU A 37 -2.547 10.324 2.080 1.00 42.53 O ATOM 642 CB GLU A 37 -2.098 12.239 4.889 1.00 3.25 C ATOM 643 CG GLU A 37 -2.294 13.688 5.396 1.00 24.34 C ATOM 644 CD GLU A 37 -3.539 13.882 6.286 1.00 25.01 C ATOM 645 OE1 GLU A 37 -3.558 13.339 7.408 1.00 52.45 O ATOM 646 OE2 GLU A 37 -4.509 14.545 5.855 1.00 74.40 O ATOM 0 H GLU A 37 -4.379 11.672 5.752 1.00 22.25 H new ATOM 0 HA GLU A 37 -3.449 12.421 3.197 1.00 51.30 H new ATOM 0 HB2 GLU A 37 -1.997 11.581 5.752 1.00 3.25 H new ATOM 0 HB3 GLU A 37 -1.159 12.189 4.338 1.00 3.25 H new ATOM 0 HG2 GLU A 37 -1.409 13.988 5.958 1.00 24.34 H new ATOM 0 HG3 GLU A 37 -2.367 14.355 4.537 1.00 24.34 H new ATOM 653 N THR A 38 -2.681 9.306 4.108 1.00 32.51 N ATOM 654 CA THR A 38 -2.330 7.953 3.625 1.00 24.51 C ATOM 655 C THR A 38 -3.515 7.284 2.882 1.00 25.05 C ATOM 656 O THR A 38 -3.288 6.429 2.028 1.00 43.54 O ATOM 657 CB THR A 38 -1.789 7.042 4.771 1.00 20.14 C ATOM 658 OG1 THR A 38 -0.710 7.724 5.424 1.00 4.23 O ATOM 659 CG2 THR A 38 -1.263 5.682 4.268 1.00 35.23 C ATOM 0 H THR A 38 -2.834 9.354 5.115 1.00 32.51 H new ATOM 0 HA THR A 38 -1.520 8.077 2.906 1.00 24.51 H new ATOM 0 HB THR A 38 -2.622 6.844 5.446 1.00 20.14 H new ATOM 0 HG1 THR A 38 -0.137 7.071 5.877 1.00 4.23 H new ATOM 0 HG21 THR A 38 -0.901 5.097 5.113 1.00 35.23 H new ATOM 0 HG22 THR A 38 -2.068 5.142 3.770 1.00 35.23 H new ATOM 0 HG23 THR A 38 -0.447 5.845 3.564 1.00 35.23 H new ATOM 667 N ASP A 39 -4.782 7.642 3.233 1.00 52.22 N ATOM 668 CA ASP A 39 -5.971 7.236 2.423 1.00 73.33 C ATOM 669 C ASP A 39 -5.818 7.672 0.938 1.00 32.51 C ATOM 670 O ASP A 39 -6.074 6.880 0.042 1.00 34.30 O ATOM 671 CB ASP A 39 -7.297 7.804 3.004 1.00 22.43 C ATOM 672 CG ASP A 39 -7.768 7.098 4.288 1.00 23.11 C ATOM 673 OD1 ASP A 39 -7.905 5.868 4.268 1.00 31.32 O ATOM 674 OD2 ASP A 39 -8.063 7.772 5.299 1.00 74.11 O ATOM 0 H ASP A 39 -5.006 8.201 4.056 1.00 52.22 H new ATOM 0 HA ASP A 39 -6.020 6.148 2.470 1.00 73.33 H new ATOM 0 HB2 ASP A 39 -7.166 8.866 3.212 1.00 22.43 H new ATOM 0 HB3 ASP A 39 -8.078 7.722 2.248 1.00 22.43 H new ATOM 679 N LEU A 40 -5.378 8.930 0.691 1.00 60.21 N ATOM 680 CA LEU A 40 -5.119 9.442 -0.690 1.00 72.44 C ATOM 681 C LEU A 40 -4.030 8.609 -1.414 1.00 13.50 C ATOM 682 O LEU A 40 -4.154 8.293 -2.606 1.00 72.23 O ATOM 683 CB LEU A 40 -4.686 10.934 -0.651 1.00 15.20 C ATOM 684 CG LEU A 40 -5.724 11.941 -0.064 1.00 43.34 C ATOM 685 CD1 LEU A 40 -5.170 13.380 -0.079 1.00 2.23 C ATOM 686 CD2 LEU A 40 -7.075 11.853 -0.805 1.00 44.31 C ATOM 0 H LEU A 40 -5.193 9.613 1.425 1.00 60.21 H new ATOM 0 HA LEU A 40 -6.052 9.349 -1.246 1.00 72.44 H new ATOM 0 HB2 LEU A 40 -3.769 11.009 -0.067 1.00 15.20 H new ATOM 0 HB3 LEU A 40 -4.443 11.246 -1.667 1.00 15.20 H new ATOM 0 HG LEU A 40 -5.903 11.664 0.975 1.00 43.34 H new ATOM 0 HD11 LEU A 40 -5.914 14.061 0.335 1.00 2.23 H new ATOM 0 HD12 LEU A 40 -4.261 13.426 0.521 1.00 2.23 H new ATOM 0 HD13 LEU A 40 -4.943 13.672 -1.104 1.00 2.23 H new ATOM 0 HD21 LEU A 40 -7.775 12.567 -0.371 1.00 44.31 H new ATOM 0 HD22 LEU A 40 -6.927 12.085 -1.860 1.00 44.31 H new ATOM 0 HD23 LEU A 40 -7.478 10.845 -0.708 1.00 44.31 H new ATOM 698 N LEU A 41 -2.972 8.261 -0.659 1.00 74.32 N ATOM 699 CA LEU A 41 -1.825 7.479 -1.171 1.00 25.42 C ATOM 700 C LEU A 41 -2.242 6.037 -1.571 1.00 3.44 C ATOM 701 O LEU A 41 -2.137 5.657 -2.735 1.00 22.11 O ATOM 702 CB LEU A 41 -0.701 7.455 -0.089 1.00 55.42 C ATOM 703 CG LEU A 41 0.566 6.587 -0.397 1.00 53.10 C ATOM 704 CD1 LEU A 41 1.303 7.077 -1.665 1.00 71.01 C ATOM 705 CD2 LEU A 41 1.511 6.533 0.829 1.00 64.41 C ATOM 0 H LEU A 41 -2.886 8.513 0.326 1.00 74.32 H new ATOM 0 HA LEU A 41 -1.451 7.959 -2.075 1.00 25.42 H new ATOM 0 HB2 LEU A 41 -0.375 8.481 0.083 1.00 55.42 H new ATOM 0 HB3 LEU A 41 -1.137 7.098 0.844 1.00 55.42 H new ATOM 0 HG LEU A 41 0.228 5.571 -0.601 1.00 53.10 H new ATOM 0 HD11 LEU A 41 2.176 6.449 -1.844 1.00 71.01 H new ATOM 0 HD12 LEU A 41 0.632 7.018 -2.522 1.00 71.01 H new ATOM 0 HD13 LEU A 41 1.622 8.110 -1.524 1.00 71.01 H new ATOM 0 HD21 LEU A 41 2.383 5.924 0.590 1.00 64.41 H new ATOM 0 HD22 LEU A 41 1.832 7.542 1.085 1.00 64.41 H new ATOM 0 HD23 LEU A 41 0.984 6.094 1.676 1.00 64.41 H new ATOM 717 N LEU A 42 -2.750 5.273 -0.593 1.00 64.14 N ATOM 718 CA LEU A 42 -3.051 3.834 -0.752 1.00 63.14 C ATOM 719 C LEU A 42 -4.343 3.549 -1.556 1.00 70.34 C ATOM 720 O LEU A 42 -4.395 2.547 -2.256 1.00 23.53 O ATOM 721 CB LEU A 42 -3.096 3.137 0.635 1.00 44.42 C ATOM 722 CG LEU A 42 -1.736 3.031 1.395 1.00 12.11 C ATOM 723 CD1 LEU A 42 -1.908 2.292 2.739 1.00 3.44 C ATOM 724 CD2 LEU A 42 -0.657 2.356 0.516 1.00 61.32 C ATOM 0 H LEU A 42 -2.966 5.633 0.336 1.00 64.14 H new ATOM 0 HA LEU A 42 -2.238 3.415 -1.345 1.00 63.14 H new ATOM 0 HB2 LEU A 42 -3.801 3.676 1.267 1.00 44.42 H new ATOM 0 HB3 LEU A 42 -3.493 2.131 0.501 1.00 44.42 H new ATOM 0 HG LEU A 42 -1.396 4.043 1.615 1.00 12.11 H new ATOM 0 HD11 LEU A 42 -0.946 2.232 3.247 1.00 3.44 H new ATOM 0 HD12 LEU A 42 -2.616 2.835 3.365 1.00 3.44 H new ATOM 0 HD13 LEU A 42 -2.284 1.286 2.555 1.00 3.44 H new ATOM 0 HD21 LEU A 42 0.279 2.296 1.071 1.00 61.32 H new ATOM 0 HD22 LEU A 42 -0.984 1.352 0.246 1.00 61.32 H new ATOM 0 HD23 LEU A 42 -0.505 2.944 -0.389 1.00 61.32 H new ATOM 736 N SER A 43 -5.387 4.400 -1.439 1.00 54.15 N ATOM 737 CA SER A 43 -6.663 4.203 -2.207 1.00 55.34 C ATOM 738 C SER A 43 -6.436 4.410 -3.719 1.00 13.03 C ATOM 739 O SER A 43 -6.912 3.614 -4.542 1.00 63.13 O ATOM 740 CB SER A 43 -7.780 5.152 -1.717 1.00 44.00 C ATOM 741 OG SER A 43 -8.995 4.968 -2.434 1.00 21.00 O ATOM 0 H SER A 43 -5.385 5.221 -0.833 1.00 54.15 H new ATOM 0 HA SER A 43 -6.983 3.176 -2.030 1.00 55.34 H new ATOM 0 HB2 SER A 43 -7.958 4.983 -0.655 1.00 44.00 H new ATOM 0 HB3 SER A 43 -7.450 6.185 -1.825 1.00 44.00 H new ATOM 0 HG SER A 43 -9.674 5.586 -2.091 1.00 21.00 H new ATOM 747 N GLY A 44 -5.694 5.484 -4.067 1.00 33.43 N ATOM 748 CA GLY A 44 -5.271 5.726 -5.452 1.00 62.31 C ATOM 749 C GLY A 44 -4.352 4.620 -5.981 1.00 64.33 C ATOM 750 O GLY A 44 -4.501 4.168 -7.119 1.00 65.15 O ATOM 0 H GLY A 44 -5.379 6.193 -3.404 1.00 33.43 H new ATOM 0 HA2 GLY A 44 -6.151 5.800 -6.091 1.00 62.31 H new ATOM 0 HA3 GLY A 44 -4.754 6.684 -5.509 1.00 62.31 H new ATOM 754 N PHE A 45 -3.411 4.182 -5.118 1.00 65.25 N ATOM 755 CA PHE A 45 -2.482 3.057 -5.397 1.00 52.43 C ATOM 756 C PHE A 45 -3.258 1.739 -5.615 1.00 73.23 C ATOM 757 O PHE A 45 -2.875 0.911 -6.430 1.00 24.44 O ATOM 758 CB PHE A 45 -1.488 2.908 -4.209 1.00 62.11 C ATOM 759 CG PHE A 45 -0.330 1.930 -4.432 1.00 13.42 C ATOM 760 CD1 PHE A 45 -0.450 0.576 -4.111 1.00 14.30 C ATOM 761 CD2 PHE A 45 0.884 2.369 -4.952 1.00 73.05 C ATOM 762 CE1 PHE A 45 0.602 -0.301 -4.308 1.00 51.23 C ATOM 763 CE2 PHE A 45 1.931 1.492 -5.145 1.00 61.02 C ATOM 764 CZ PHE A 45 1.793 0.159 -4.822 1.00 71.13 C ATOM 0 H PHE A 45 -3.270 4.601 -4.199 1.00 65.25 H new ATOM 0 HA PHE A 45 -1.930 3.273 -6.312 1.00 52.43 H new ATOM 0 HB2 PHE A 45 -1.072 3.890 -3.982 1.00 62.11 H new ATOM 0 HB3 PHE A 45 -2.047 2.587 -3.330 1.00 62.11 H new ATOM 0 HD1 PHE A 45 -1.379 0.207 -3.702 1.00 14.30 H new ATOM 0 HD2 PHE A 45 1.008 3.411 -5.208 1.00 73.05 H new ATOM 0 HE1 PHE A 45 0.489 -1.346 -4.059 1.00 51.23 H new ATOM 0 HE2 PHE A 45 2.865 1.852 -5.552 1.00 61.02 H new ATOM 0 HZ PHE A 45 2.617 -0.523 -4.972 1.00 71.13 H new ATOM 774 N ALA A 46 -4.358 1.571 -4.877 1.00 54.23 N ATOM 775 CA ALA A 46 -5.159 0.339 -4.904 1.00 4.20 C ATOM 776 C ALA A 46 -5.975 0.201 -6.203 1.00 45.44 C ATOM 777 O ALA A 46 -5.945 -0.842 -6.866 1.00 75.14 O ATOM 778 CB ALA A 46 -6.058 0.279 -3.676 1.00 2.15 C ATOM 0 H ALA A 46 -4.721 2.283 -4.243 1.00 54.23 H new ATOM 0 HA ALA A 46 -4.473 -0.507 -4.882 1.00 4.20 H new ATOM 0 HB1 ALA A 46 -6.649 -0.636 -3.702 1.00 2.15 H new ATOM 0 HB2 ALA A 46 -5.445 0.289 -2.775 1.00 2.15 H new ATOM 0 HB3 ALA A 46 -6.725 1.141 -3.671 1.00 2.15 H new ATOM 784 N ALA A 47 -6.673 1.276 -6.572 1.00 51.13 N ATOM 785 CA ALA A 47 -7.517 1.305 -7.785 1.00 11.24 C ATOM 786 C ALA A 47 -6.667 1.345 -9.085 1.00 31.12 C ATOM 787 O ALA A 47 -7.163 1.030 -10.170 1.00 20.04 O ATOM 788 CB ALA A 47 -8.474 2.501 -7.708 1.00 50.33 C ATOM 0 H ALA A 47 -6.675 2.151 -6.047 1.00 51.13 H new ATOM 0 HA ALA A 47 -8.097 0.383 -7.825 1.00 11.24 H new ATOM 0 HB1 ALA A 47 -9.098 2.526 -8.601 1.00 50.33 H new ATOM 0 HB2 ALA A 47 -9.107 2.405 -6.826 1.00 50.33 H new ATOM 0 HB3 ALA A 47 -7.898 3.424 -7.642 1.00 50.33 H new ATOM 794 N LYS A 48 -5.396 1.760 -8.966 1.00 0.53 N ATOM 795 CA LYS A 48 -4.455 1.841 -10.110 1.00 3.12 C ATOM 796 C LYS A 48 -3.616 0.537 -10.273 1.00 51.13 C ATOM 797 O LYS A 48 -3.633 -0.103 -11.333 1.00 52.31 O ATOM 798 CB LYS A 48 -3.528 3.060 -9.893 1.00 25.42 C ATOM 799 CG LYS A 48 -2.688 3.475 -11.118 1.00 43.41 C ATOM 800 CD LYS A 48 -1.880 4.761 -10.854 1.00 75.12 C ATOM 801 CE LYS A 48 -1.201 5.312 -12.114 1.00 60.32 C ATOM 802 NZ LYS A 48 -0.120 4.417 -12.615 1.00 12.23 N ATOM 0 H LYS A 48 -4.986 2.050 -8.078 1.00 0.53 H new ATOM 0 HA LYS A 48 -5.028 1.958 -11.030 1.00 3.12 H new ATOM 0 HB2 LYS A 48 -4.138 3.910 -9.587 1.00 25.42 H new ATOM 0 HB3 LYS A 48 -2.852 2.839 -9.067 1.00 25.42 H new ATOM 0 HG2 LYS A 48 -2.007 2.666 -11.381 1.00 43.41 H new ATOM 0 HG3 LYS A 48 -3.346 3.629 -11.973 1.00 43.41 H new ATOM 0 HD2 LYS A 48 -2.543 5.522 -10.443 1.00 75.12 H new ATOM 0 HD3 LYS A 48 -1.121 4.558 -10.098 1.00 75.12 H new ATOM 0 HE2 LYS A 48 -1.948 5.448 -12.896 1.00 60.32 H new ATOM 0 HE3 LYS A 48 -0.784 6.295 -11.898 1.00 60.32 H new ATOM 0 HZ1 LYS A 48 0.308 4.833 -13.467 1.00 12.23 H new ATOM 0 HZ2 LYS A 48 0.608 4.307 -11.880 1.00 12.23 H new ATOM 0 HZ3 LYS A 48 -0.520 3.486 -12.848 1.00 12.23 H new ATOM 816 N TYR A 49 -2.897 0.155 -9.197 1.00 65.04 N ATOM 817 CA TYR A 49 -1.901 -0.952 -9.211 1.00 2.34 C ATOM 818 C TYR A 49 -2.526 -2.357 -9.063 1.00 23.25 C ATOM 819 O TYR A 49 -2.076 -3.278 -9.729 1.00 4.24 O ATOM 820 CB TYR A 49 -0.823 -0.738 -8.115 1.00 32.11 C ATOM 821 CG TYR A 49 0.207 0.353 -8.441 1.00 51.22 C ATOM 822 CD1 TYR A 49 -0.142 1.707 -8.466 1.00 41.32 C ATOM 823 CD2 TYR A 49 1.538 0.022 -8.715 1.00 12.53 C ATOM 824 CE1 TYR A 49 0.798 2.682 -8.748 1.00 13.02 C ATOM 825 CE2 TYR A 49 2.475 0.994 -8.998 1.00 5.35 C ATOM 826 CZ TYR A 49 2.102 2.320 -9.013 1.00 14.25 C ATOM 827 OH TYR A 49 3.041 3.293 -9.283 1.00 51.01 O ATOM 0 H TYR A 49 -2.987 0.605 -8.286 1.00 65.04 H new ATOM 0 HA TYR A 49 -1.440 -0.918 -10.198 1.00 2.34 H new ATOM 0 HB2 TYR A 49 -1.320 -0.483 -7.179 1.00 32.11 H new ATOM 0 HB3 TYR A 49 -0.298 -1.679 -7.951 1.00 32.11 H new ATOM 0 HD1 TYR A 49 -1.162 1.996 -8.262 1.00 41.32 H new ATOM 0 HD2 TYR A 49 1.838 -1.015 -8.705 1.00 12.53 H new ATOM 0 HE1 TYR A 49 0.512 3.723 -8.761 1.00 13.02 H new ATOM 0 HE2 TYR A 49 3.498 0.716 -9.207 1.00 5.35 H new ATOM 0 HH TYR A 49 3.911 2.872 -9.447 1.00 51.01 H new ATOM 837 N LEU A 50 -3.531 -2.549 -8.184 1.00 43.44 N ATOM 838 CA LEU A 50 -4.144 -3.908 -7.990 1.00 50.31 C ATOM 839 C LEU A 50 -4.827 -4.437 -9.269 1.00 3.24 C ATOM 840 O LEU A 50 -4.976 -5.649 -9.440 1.00 61.52 O ATOM 841 CB LEU A 50 -5.127 -3.952 -6.792 1.00 0.21 C ATOM 842 CG LEU A 50 -4.468 -4.135 -5.393 1.00 41.32 C ATOM 843 CD1 LEU A 50 -3.692 -2.901 -4.935 1.00 4.44 C ATOM 844 CD2 LEU A 50 -5.499 -4.559 -4.348 1.00 32.21 C ATOM 0 H LEU A 50 -3.936 -1.813 -7.606 1.00 43.44 H new ATOM 0 HA LEU A 50 -3.311 -4.572 -7.760 1.00 50.31 H new ATOM 0 HB2 LEU A 50 -5.705 -3.028 -6.784 1.00 0.21 H new ATOM 0 HB3 LEU A 50 -5.832 -4.768 -6.952 1.00 0.21 H new ATOM 0 HG LEU A 50 -3.737 -4.937 -5.499 1.00 41.32 H new ATOM 0 HD11 LEU A 50 -3.256 -3.089 -3.954 1.00 4.44 H new ATOM 0 HD12 LEU A 50 -2.898 -2.684 -5.650 1.00 4.44 H new ATOM 0 HD13 LEU A 50 -4.368 -2.048 -4.874 1.00 4.44 H new ATOM 0 HD21 LEU A 50 -5.009 -4.679 -3.382 1.00 32.21 H new ATOM 0 HD22 LEU A 50 -6.273 -3.796 -4.270 1.00 32.21 H new ATOM 0 HD23 LEU A 50 -5.951 -5.505 -4.646 1.00 32.21 H new ATOM 856 N LYS A 51 -5.217 -3.510 -10.154 1.00 21.21 N ATOM 857 CA LYS A 51 -5.797 -3.832 -11.474 1.00 3.15 C ATOM 858 C LYS A 51 -4.749 -4.512 -12.402 1.00 55.31 C ATOM 859 O LYS A 51 -5.102 -5.384 -13.203 1.00 73.53 O ATOM 860 CB LYS A 51 -6.382 -2.537 -12.127 1.00 44.23 C ATOM 861 CG LYS A 51 -7.827 -2.159 -11.686 1.00 13.31 C ATOM 862 CD LYS A 51 -8.043 -2.126 -10.150 1.00 1.12 C ATOM 863 CE LYS A 51 -9.453 -1.631 -9.769 1.00 54.53 C ATOM 864 NZ LYS A 51 -10.540 -2.448 -10.388 1.00 4.33 N ATOM 0 H LYS A 51 -5.140 -2.508 -9.978 1.00 21.21 H new ATOM 0 HA LYS A 51 -6.608 -4.546 -11.333 1.00 3.15 H new ATOM 0 HB2 LYS A 51 -5.720 -1.703 -11.895 1.00 44.23 H new ATOM 0 HB3 LYS A 51 -6.372 -2.660 -13.210 1.00 44.23 H new ATOM 0 HG2 LYS A 51 -8.074 -1.180 -12.096 1.00 13.31 H new ATOM 0 HG3 LYS A 51 -8.525 -2.873 -12.123 1.00 13.31 H new ATOM 0 HD2 LYS A 51 -7.888 -3.125 -9.742 1.00 1.12 H new ATOM 0 HD3 LYS A 51 -7.296 -1.476 -9.694 1.00 1.12 H new ATOM 0 HE2 LYS A 51 -9.560 -1.654 -8.685 1.00 54.53 H new ATOM 0 HE3 LYS A 51 -9.564 -0.592 -10.079 1.00 54.53 H new ATOM 0 HZ1 LYS A 51 -11.462 -2.125 -10.032 1.00 4.33 H new ATOM 0 HZ2 LYS A 51 -10.510 -2.339 -11.422 1.00 4.33 H new ATOM 0 HZ3 LYS A 51 -10.405 -3.449 -10.141 1.00 4.33 H new ATOM 878 N LYS A 52 -3.461 -4.113 -12.285 1.00 72.14 N ATOM 879 CA LYS A 52 -2.349 -4.722 -13.070 1.00 64.33 C ATOM 880 C LYS A 52 -1.574 -5.816 -12.280 1.00 54.15 C ATOM 881 O LYS A 52 -0.914 -6.667 -12.889 1.00 44.31 O ATOM 882 CB LYS A 52 -1.362 -3.629 -13.555 1.00 32.50 C ATOM 883 CG LYS A 52 -0.689 -2.810 -12.432 1.00 21.23 C ATOM 884 CD LYS A 52 0.388 -1.821 -12.946 1.00 3.43 C ATOM 885 CE LYS A 52 1.781 -2.458 -13.180 1.00 35.01 C ATOM 886 NZ LYS A 52 1.781 -3.534 -14.208 1.00 63.53 N ATOM 0 H LYS A 52 -3.160 -3.370 -11.654 1.00 72.14 H new ATOM 0 HA LYS A 52 -2.812 -5.210 -13.928 1.00 64.33 H new ATOM 0 HB2 LYS A 52 -0.584 -4.103 -14.154 1.00 32.50 H new ATOM 0 HB3 LYS A 52 -1.897 -2.944 -14.213 1.00 32.50 H new ATOM 0 HG2 LYS A 52 -1.454 -2.252 -11.892 1.00 21.23 H new ATOM 0 HG3 LYS A 52 -0.231 -3.495 -11.719 1.00 21.23 H new ATOM 0 HD2 LYS A 52 0.042 -1.379 -13.881 1.00 3.43 H new ATOM 0 HD3 LYS A 52 0.490 -1.008 -12.228 1.00 3.43 H new ATOM 0 HE2 LYS A 52 2.481 -1.679 -13.482 1.00 35.01 H new ATOM 0 HE3 LYS A 52 2.147 -2.867 -12.238 1.00 35.01 H new ATOM 0 HZ1 LYS A 52 2.749 -3.679 -14.559 1.00 63.53 H new ATOM 0 HZ2 LYS A 52 1.430 -4.417 -13.786 1.00 63.53 H new ATOM 0 HZ3 LYS A 52 1.164 -3.259 -14.999 1.00 63.53 H new ATOM 900 N MET A 53 -1.641 -5.783 -10.929 1.00 72.34 N ATOM 901 CA MET A 53 -0.851 -6.699 -10.068 1.00 12.52 C ATOM 902 C MET A 53 -1.497 -8.098 -9.944 1.00 74.24 C ATOM 903 O MET A 53 -2.729 -8.245 -9.873 1.00 74.35 O ATOM 904 CB MET A 53 -0.571 -6.086 -8.657 1.00 1.23 C ATOM 905 CG MET A 53 0.522 -4.992 -8.646 1.00 60.31 C ATOM 906 SD MET A 53 1.139 -4.593 -6.989 1.00 33.32 S ATOM 907 CE MET A 53 -0.337 -4.031 -6.147 1.00 53.44 C ATOM 0 H MET A 53 -2.233 -5.134 -10.411 1.00 72.34 H new ATOM 0 HA MET A 53 0.108 -6.828 -10.569 1.00 12.52 H new ATOM 0 HB2 MET A 53 -1.497 -5.663 -8.267 1.00 1.23 H new ATOM 0 HB3 MET A 53 -0.275 -6.886 -7.978 1.00 1.23 H new ATOM 0 HG2 MET A 53 1.357 -5.319 -9.266 1.00 60.31 H new ATOM 0 HG3 MET A 53 0.122 -4.087 -9.103 1.00 60.31 H new ATOM 0 HE1 MET A 53 -0.072 -3.259 -5.425 1.00 53.44 H new ATOM 0 HE2 MET A 53 -1.038 -3.622 -6.875 1.00 53.44 H new ATOM 0 HE3 MET A 53 -0.801 -4.869 -5.628 1.00 53.44 H new ATOM 917 N ASN A 54 -0.622 -9.112 -9.895 1.00 41.12 N ATOM 918 CA ASN A 54 -0.996 -10.538 -9.887 1.00 2.32 C ATOM 919 C ASN A 54 -0.923 -11.102 -8.438 1.00 15.52 C ATOM 920 O ASN A 54 -0.591 -10.355 -7.506 1.00 4.11 O ATOM 921 CB ASN A 54 -0.058 -11.301 -10.883 1.00 45.02 C ATOM 922 CG ASN A 54 -0.711 -12.517 -11.536 1.00 61.20 C ATOM 923 OD1 ASN A 54 -1.918 -12.553 -11.736 1.00 73.20 O ATOM 924 ND2 ASN A 54 0.073 -13.513 -11.884 1.00 55.11 N ATOM 0 H ASN A 54 0.387 -8.964 -9.859 1.00 41.12 H new ATOM 0 HA ASN A 54 -2.026 -10.673 -10.219 1.00 2.32 H new ATOM 0 HB2 ASN A 54 0.266 -10.612 -11.663 1.00 45.02 H new ATOM 0 HB3 ASN A 54 0.837 -11.623 -10.350 1.00 45.02 H new ATOM 0 HD21 ASN A 54 -0.322 -14.340 -12.332 1.00 55.11 H new ATOM 0 HD22 ASN A 54 1.076 -13.459 -11.706 1.00 55.11 H new ATOM 931 N GLU A 55 -1.194 -12.421 -8.272 1.00 14.32 N ATOM 932 CA GLU A 55 -1.354 -13.097 -6.938 1.00 73.33 C ATOM 933 C GLU A 55 -0.207 -12.764 -5.942 1.00 43.54 C ATOM 934 O GLU A 55 -0.467 -12.413 -4.780 1.00 74.23 O ATOM 935 CB GLU A 55 -1.429 -14.657 -7.103 1.00 4.52 C ATOM 936 CG GLU A 55 -2.660 -15.220 -7.857 1.00 70.31 C ATOM 937 CD GLU A 55 -2.731 -14.841 -9.348 1.00 60.15 C ATOM 938 OE1 GLU A 55 -1.956 -15.407 -10.147 1.00 74.32 O ATOM 939 OE2 GLU A 55 -3.553 -13.970 -9.724 1.00 61.45 O ATOM 0 H GLU A 55 -1.310 -13.059 -9.059 1.00 14.32 H new ATOM 0 HA GLU A 55 -2.286 -12.711 -6.526 1.00 73.33 H new ATOM 0 HB2 GLU A 55 -0.531 -14.987 -7.624 1.00 4.52 H new ATOM 0 HB3 GLU A 55 -1.404 -15.106 -6.110 1.00 4.52 H new ATOM 0 HG2 GLU A 55 -2.655 -16.307 -7.772 1.00 70.31 H new ATOM 0 HG3 GLU A 55 -3.565 -14.866 -7.363 1.00 70.31 H new ATOM 946 N GLU A 56 1.041 -12.841 -6.441 1.00 14.42 N ATOM 947 CA GLU A 56 2.272 -12.641 -5.634 1.00 42.12 C ATOM 948 C GLU A 56 2.399 -11.184 -5.104 1.00 13.30 C ATOM 949 O GLU A 56 2.728 -10.949 -3.939 1.00 25.40 O ATOM 950 CB GLU A 56 3.528 -12.988 -6.486 1.00 41.31 C ATOM 951 CG GLU A 56 3.484 -14.349 -7.219 1.00 12.32 C ATOM 952 CD GLU A 56 3.297 -15.554 -6.281 1.00 70.40 C ATOM 953 OE1 GLU A 56 4.281 -15.958 -5.627 1.00 50.12 O ATOM 954 OE2 GLU A 56 2.174 -16.096 -6.192 1.00 51.53 O ATOM 0 H GLU A 56 1.231 -13.045 -7.422 1.00 14.42 H new ATOM 0 HA GLU A 56 2.203 -13.306 -4.773 1.00 42.12 H new ATOM 0 HB2 GLU A 56 3.671 -12.201 -7.227 1.00 41.31 H new ATOM 0 HB3 GLU A 56 4.402 -12.975 -5.834 1.00 41.31 H new ATOM 0 HG2 GLU A 56 2.670 -14.335 -7.943 1.00 12.32 H new ATOM 0 HG3 GLU A 56 4.409 -14.478 -7.781 1.00 12.32 H new ATOM 961 N GLU A 57 2.152 -10.223 -6.000 1.00 40.32 N ATOM 962 CA GLU A 57 2.280 -8.774 -5.708 1.00 61.14 C ATOM 963 C GLU A 57 1.167 -8.282 -4.737 1.00 0.10 C ATOM 964 O GLU A 57 1.415 -7.444 -3.861 1.00 43.24 O ATOM 965 CB GLU A 57 2.242 -8.003 -7.052 1.00 15.31 C ATOM 966 CG GLU A 57 3.314 -8.454 -8.073 1.00 20.14 C ATOM 967 CD GLU A 57 3.176 -7.774 -9.450 1.00 23.13 C ATOM 968 OE1 GLU A 57 2.316 -8.203 -10.246 1.00 34.50 O ATOM 969 OE2 GLU A 57 3.921 -6.809 -9.747 1.00 20.11 O ATOM 0 H GLU A 57 1.856 -10.420 -6.956 1.00 40.32 H new ATOM 0 HA GLU A 57 3.228 -8.587 -5.203 1.00 61.14 H new ATOM 0 HB2 GLU A 57 1.256 -8.125 -7.500 1.00 15.31 H new ATOM 0 HB3 GLU A 57 2.372 -6.939 -6.852 1.00 15.31 H new ATOM 0 HG2 GLU A 57 4.303 -8.240 -7.668 1.00 20.14 H new ATOM 0 HG3 GLU A 57 3.250 -9.534 -8.202 1.00 20.14 H new ATOM 976 N LEU A 58 -0.058 -8.822 -4.918 1.00 62.52 N ATOM 977 CA LEU A 58 -1.218 -8.548 -4.028 1.00 61.23 C ATOM 978 C LEU A 58 -0.989 -8.995 -2.554 1.00 52.41 C ATOM 979 O LEU A 58 -1.292 -8.245 -1.627 1.00 22.13 O ATOM 980 CB LEU A 58 -2.501 -9.235 -4.568 1.00 14.43 C ATOM 981 CG LEU A 58 -2.985 -8.817 -5.993 1.00 32.44 C ATOM 982 CD1 LEU A 58 -4.363 -9.433 -6.307 1.00 43.12 C ATOM 983 CD2 LEU A 58 -3.008 -7.290 -6.155 1.00 1.41 C ATOM 0 H LEU A 58 -0.275 -9.460 -5.683 1.00 62.52 H new ATOM 0 HA LEU A 58 -1.337 -7.465 -4.028 1.00 61.23 H new ATOM 0 HB2 LEU A 58 -2.333 -10.312 -4.570 1.00 14.43 H new ATOM 0 HB3 LEU A 58 -3.311 -9.040 -3.865 1.00 14.43 H new ATOM 0 HG LEU A 58 -2.268 -9.209 -6.715 1.00 32.44 H new ATOM 0 HD11 LEU A 58 -4.679 -9.128 -7.304 1.00 43.12 H new ATOM 0 HD12 LEU A 58 -4.294 -10.520 -6.265 1.00 43.12 H new ATOM 0 HD13 LEU A 58 -5.092 -9.087 -5.574 1.00 43.12 H new ATOM 0 HD21 LEU A 58 -3.350 -7.036 -7.158 1.00 1.41 H new ATOM 0 HD22 LEU A 58 -3.686 -6.856 -5.420 1.00 1.41 H new ATOM 0 HD23 LEU A 58 -2.005 -6.893 -6.002 1.00 1.41 H new ATOM 995 N GLU A 59 -0.475 -10.227 -2.341 1.00 42.33 N ATOM 996 CA GLU A 59 -0.258 -10.772 -0.972 1.00 2.20 C ATOM 997 C GLU A 59 0.878 -10.019 -0.223 1.00 21.21 C ATOM 998 O GLU A 59 0.874 -9.945 1.015 1.00 25.11 O ATOM 999 CB GLU A 59 -0.002 -12.303 -1.021 1.00 4.02 C ATOM 1000 CG GLU A 59 1.240 -12.741 -1.818 1.00 41.43 C ATOM 1001 CD GLU A 59 1.359 -14.267 -1.963 1.00 12.24 C ATOM 1002 OE1 GLU A 59 0.577 -14.858 -2.737 1.00 14.33 O ATOM 1003 OE2 GLU A 59 2.225 -14.884 -1.298 1.00 74.43 O ATOM 0 H GLU A 59 -0.203 -10.863 -3.091 1.00 42.33 H new ATOM 0 HA GLU A 59 -1.171 -10.607 -0.400 1.00 2.20 H new ATOM 0 HB2 GLU A 59 0.095 -12.671 0.001 1.00 4.02 H new ATOM 0 HB3 GLU A 59 -0.878 -12.787 -1.452 1.00 4.02 H new ATOM 0 HG2 GLU A 59 1.205 -12.290 -2.810 1.00 41.43 H new ATOM 0 HG3 GLU A 59 2.134 -12.358 -1.325 1.00 41.43 H new ATOM 1010 N GLU A 60 1.844 -9.464 -0.990 1.00 15.33 N ATOM 1011 CA GLU A 60 2.876 -8.540 -0.454 1.00 24.13 C ATOM 1012 C GLU A 60 2.224 -7.194 -0.021 1.00 55.11 C ATOM 1013 O GLU A 60 2.597 -6.613 1.011 1.00 63.52 O ATOM 1014 CB GLU A 60 3.998 -8.313 -1.515 1.00 24.22 C ATOM 1015 CG GLU A 60 5.165 -7.397 -1.056 1.00 24.35 C ATOM 1016 CD GLU A 60 6.325 -7.300 -2.078 1.00 3.24 C ATOM 1017 OE1 GLU A 60 6.093 -6.854 -3.223 1.00 23.30 O ATOM 1018 OE2 GLU A 60 7.477 -7.656 -1.738 1.00 12.21 O ATOM 0 H GLU A 60 1.932 -9.641 -1.991 1.00 15.33 H new ATOM 0 HA GLU A 60 3.333 -8.989 0.428 1.00 24.13 H new ATOM 0 HB2 GLU A 60 4.408 -9.282 -1.800 1.00 24.22 H new ATOM 0 HB3 GLU A 60 3.549 -7.882 -2.409 1.00 24.22 H new ATOM 0 HG2 GLU A 60 4.776 -6.397 -0.867 1.00 24.35 H new ATOM 0 HG3 GLU A 60 5.557 -7.771 -0.110 1.00 24.35 H new ATOM 1025 N TYR A 61 1.227 -6.723 -0.818 1.00 63.15 N ATOM 1026 CA TYR A 61 0.468 -5.472 -0.533 1.00 14.11 C ATOM 1027 C TYR A 61 -0.321 -5.549 0.794 1.00 3.14 C ATOM 1028 O TYR A 61 -0.455 -4.539 1.503 1.00 32.43 O ATOM 1029 CB TYR A 61 -0.480 -5.110 -1.707 1.00 22.52 C ATOM 1030 CG TYR A 61 -1.179 -3.747 -1.548 1.00 72.05 C ATOM 1031 CD1 TYR A 61 -0.424 -2.580 -1.417 1.00 64.44 C ATOM 1032 CD2 TYR A 61 -2.570 -3.620 -1.509 1.00 73.10 C ATOM 1033 CE1 TYR A 61 -1.014 -1.352 -1.264 1.00 35.35 C ATOM 1034 CE2 TYR A 61 -3.169 -2.380 -1.356 1.00 52.05 C ATOM 1035 CZ TYR A 61 -2.379 -1.250 -1.236 1.00 1.43 C ATOM 1036 OH TYR A 61 -2.951 -0.012 -1.092 1.00 71.14 O ATOM 0 H TYR A 61 0.928 -7.196 -1.671 1.00 63.15 H new ATOM 0 HA TYR A 61 1.208 -4.679 -0.425 1.00 14.11 H new ATOM 0 HB2 TYR A 61 0.092 -5.108 -2.635 1.00 22.52 H new ATOM 0 HB3 TYR A 61 -1.238 -5.887 -1.801 1.00 22.52 H new ATOM 0 HD1 TYR A 61 0.654 -2.646 -1.437 1.00 64.44 H new ATOM 0 HD2 TYR A 61 -3.187 -4.501 -1.599 1.00 73.10 H new ATOM 0 HE1 TYR A 61 -0.403 -0.467 -1.166 1.00 35.35 H new ATOM 0 HE2 TYR A 61 -4.245 -2.296 -1.331 1.00 52.05 H new ATOM 0 HH TYR A 61 -3.261 0.309 -1.965 1.00 71.14 H new ATOM 1046 N ASP A 62 -0.827 -6.750 1.115 1.00 14.12 N ATOM 1047 CA ASP A 62 -1.564 -7.011 2.372 1.00 31.21 C ATOM 1048 C ASP A 62 -0.731 -6.608 3.616 1.00 64.44 C ATOM 1049 O ASP A 62 -1.232 -5.916 4.508 1.00 12.03 O ATOM 1050 CB ASP A 62 -1.967 -8.506 2.433 1.00 63.33 C ATOM 1051 CG ASP A 62 -2.815 -8.845 3.675 1.00 71.12 C ATOM 1052 OD1 ASP A 62 -4.053 -8.665 3.631 1.00 11.31 O ATOM 1053 OD2 ASP A 62 -2.248 -9.279 4.700 1.00 34.43 O ATOM 0 H ASP A 62 -0.740 -7.570 0.515 1.00 14.12 H new ATOM 0 HA ASP A 62 -2.465 -6.397 2.381 1.00 31.21 H new ATOM 0 HB2 ASP A 62 -2.528 -8.764 1.534 1.00 63.33 H new ATOM 0 HB3 ASP A 62 -1.067 -9.121 2.434 1.00 63.33 H new ATOM 1058 N SER A 63 0.554 -7.016 3.622 1.00 42.40 N ATOM 1059 CA SER A 63 1.512 -6.720 4.719 1.00 45.41 C ATOM 1060 C SER A 63 1.635 -5.199 5.010 1.00 54.52 C ATOM 1061 O SER A 63 1.729 -4.790 6.171 1.00 74.31 O ATOM 1062 CB SER A 63 2.907 -7.293 4.376 1.00 61.34 C ATOM 1063 OG SER A 63 2.870 -8.696 4.141 1.00 30.44 O ATOM 0 H SER A 63 0.963 -7.563 2.865 1.00 42.40 H new ATOM 0 HA SER A 63 1.120 -7.196 5.618 1.00 45.41 H new ATOM 0 HB2 SER A 63 3.298 -6.789 3.492 1.00 61.34 H new ATOM 0 HB3 SER A 63 3.596 -7.082 5.194 1.00 61.34 H new ATOM 0 HG SER A 63 3.771 -9.016 3.926 1.00 30.44 H new ATOM 1069 N LEU A 64 1.605 -4.381 3.933 1.00 1.02 N ATOM 1070 CA LEU A 64 1.722 -2.902 4.017 1.00 73.25 C ATOM 1071 C LEU A 64 0.482 -2.268 4.695 1.00 62.24 C ATOM 1072 O LEU A 64 0.590 -1.276 5.411 1.00 32.10 O ATOM 1073 CB LEU A 64 1.909 -2.317 2.593 1.00 73.12 C ATOM 1074 CG LEU A 64 2.193 -0.782 2.498 1.00 25.44 C ATOM 1075 CD1 LEU A 64 3.543 -0.414 3.164 1.00 52.42 C ATOM 1076 CD2 LEU A 64 2.124 -0.292 1.031 1.00 45.25 C ATOM 0 H LEU A 64 1.499 -4.726 2.979 1.00 1.02 H new ATOM 0 HA LEU A 64 2.590 -2.663 4.631 1.00 73.25 H new ATOM 0 HB2 LEU A 64 2.732 -2.846 2.113 1.00 73.12 H new ATOM 0 HB3 LEU A 64 1.011 -2.534 2.015 1.00 73.12 H new ATOM 0 HG LEU A 64 1.411 -0.263 3.052 1.00 25.44 H new ATOM 0 HD11 LEU A 64 3.709 0.660 3.080 1.00 52.42 H new ATOM 0 HD12 LEU A 64 3.518 -0.696 4.217 1.00 52.42 H new ATOM 0 HD13 LEU A 64 4.352 -0.947 2.664 1.00 52.42 H new ATOM 0 HD21 LEU A 64 2.325 0.779 0.995 1.00 45.25 H new ATOM 0 HD22 LEU A 64 2.868 -0.821 0.435 1.00 45.25 H new ATOM 0 HD23 LEU A 64 1.130 -0.488 0.628 1.00 45.25 H new ATOM 1088 N LEU A 65 -0.690 -2.868 4.462 1.00 44.35 N ATOM 1089 CA LEU A 65 -1.980 -2.405 5.032 1.00 72.32 C ATOM 1090 C LEU A 65 -2.074 -2.682 6.553 1.00 10.04 C ATOM 1091 O LEU A 65 -2.826 -2.009 7.267 1.00 4.13 O ATOM 1092 CB LEU A 65 -3.137 -3.085 4.265 1.00 44.22 C ATOM 1093 CG LEU A 65 -3.104 -2.864 2.719 1.00 14.22 C ATOM 1094 CD1 LEU A 65 -4.178 -3.692 2.009 1.00 55.03 C ATOM 1095 CD2 LEU A 65 -3.227 -1.367 2.368 1.00 2.55 C ATOM 0 H LEU A 65 -0.781 -3.694 3.871 1.00 44.35 H new ATOM 0 HA LEU A 65 -2.050 -1.324 4.914 1.00 72.32 H new ATOM 0 HB2 LEU A 65 -3.111 -4.156 4.467 1.00 44.22 H new ATOM 0 HB3 LEU A 65 -4.084 -2.710 4.653 1.00 44.22 H new ATOM 0 HG LEU A 65 -2.136 -3.212 2.359 1.00 14.22 H new ATOM 0 HD11 LEU A 65 -4.125 -3.513 0.935 1.00 55.03 H new ATOM 0 HD12 LEU A 65 -4.012 -4.751 2.209 1.00 55.03 H new ATOM 0 HD13 LEU A 65 -5.163 -3.403 2.377 1.00 55.03 H new ATOM 0 HD21 LEU A 65 -3.201 -1.244 1.285 1.00 2.55 H new ATOM 0 HD22 LEU A 65 -4.169 -0.979 2.755 1.00 2.55 H new ATOM 0 HD23 LEU A 65 -2.398 -0.819 2.815 1.00 2.55 H new ATOM 1107 N ASN A 66 -1.297 -3.674 7.038 1.00 0.11 N ATOM 1108 CA ASN A 66 -1.170 -3.966 8.488 1.00 20.21 C ATOM 1109 C ASN A 66 -0.176 -2.997 9.188 1.00 42.05 C ATOM 1110 O ASN A 66 -0.130 -2.946 10.423 1.00 41.21 O ATOM 1111 CB ASN A 66 -0.734 -5.439 8.716 1.00 3.42 C ATOM 1112 CG ASN A 66 -1.758 -6.450 8.192 1.00 73.13 C ATOM 1113 OD1 ASN A 66 -2.716 -6.800 8.875 1.00 34.32 O ATOM 1114 ND2 ASN A 66 -1.555 -6.947 6.990 1.00 11.22 N ATOM 0 H ASN A 66 -0.743 -4.292 6.444 1.00 0.11 H new ATOM 0 HA ASN A 66 -2.153 -3.815 8.935 1.00 20.21 H new ATOM 0 HB2 ASN A 66 0.223 -5.610 8.223 1.00 3.42 H new ATOM 0 HB3 ASN A 66 -0.578 -5.606 9.782 1.00 3.42 H new ATOM 0 HD21 ASN A 66 -2.201 -7.638 6.608 1.00 11.22 H new ATOM 0 HD22 ASN A 66 -0.752 -6.641 6.441 1.00 11.22 H new ATOM 1121 N GLU A 67 0.606 -2.233 8.396 1.00 32.24 N ATOM 1122 CA GLU A 67 1.584 -1.250 8.927 1.00 73.34 C ATOM 1123 C GLU A 67 0.898 0.072 9.353 1.00 43.32 C ATOM 1124 O GLU A 67 -0.237 0.368 8.941 1.00 73.44 O ATOM 1125 CB GLU A 67 2.690 -0.960 7.867 1.00 4.10 C ATOM 1126 CG GLU A 67 3.467 -2.202 7.373 1.00 44.11 C ATOM 1127 CD GLU A 67 4.246 -2.939 8.480 1.00 63.52 C ATOM 1128 OE1 GLU A 67 5.402 -2.557 8.769 1.00 62.31 O ATOM 1129 OE2 GLU A 67 3.714 -3.915 9.060 1.00 11.11 O ATOM 0 H GLU A 67 0.581 -2.277 7.377 1.00 32.24 H new ATOM 0 HA GLU A 67 2.040 -1.689 9.814 1.00 73.34 H new ATOM 0 HB2 GLU A 67 2.229 -0.474 7.007 1.00 4.10 H new ATOM 0 HB3 GLU A 67 3.401 -0.251 8.291 1.00 4.10 H new ATOM 0 HG2 GLU A 67 2.765 -2.897 6.913 1.00 44.11 H new ATOM 0 HG3 GLU A 67 4.166 -1.894 6.595 1.00 44.11 H new ATOM 1136 N LEU A 68 1.606 0.852 10.184 1.00 10.30 N ATOM 1137 CA LEU A 68 1.148 2.158 10.688 1.00 13.44 C ATOM 1138 C LEU A 68 1.068 3.175 9.509 1.00 44.11 C ATOM 1139 O LEU A 68 2.060 3.372 8.811 1.00 23.34 O ATOM 1140 CB LEU A 68 2.147 2.623 11.801 1.00 34.24 C ATOM 1141 CG LEU A 68 1.604 3.590 12.907 1.00 65.41 C ATOM 1142 CD1 LEU A 68 2.616 3.729 14.069 1.00 11.43 C ATOM 1143 CD2 LEU A 68 1.221 4.984 12.348 1.00 33.20 C ATOM 0 H LEU A 68 2.529 0.589 10.531 1.00 10.30 H new ATOM 0 HA LEU A 68 0.149 2.088 11.119 1.00 13.44 H new ATOM 0 HB2 LEU A 68 2.537 1.733 12.295 1.00 34.24 H new ATOM 0 HB3 LEU A 68 2.990 3.112 11.312 1.00 34.24 H new ATOM 0 HG LEU A 68 0.689 3.139 13.290 1.00 65.41 H new ATOM 0 HD11 LEU A 68 2.214 4.406 14.823 1.00 11.43 H new ATOM 0 HD12 LEU A 68 2.793 2.751 14.517 1.00 11.43 H new ATOM 0 HD13 LEU A 68 3.556 4.128 13.687 1.00 11.43 H new ATOM 0 HD21 LEU A 68 0.851 5.612 13.159 1.00 33.20 H new ATOM 0 HD22 LEU A 68 2.098 5.450 11.899 1.00 33.20 H new ATOM 0 HD23 LEU A 68 0.444 4.872 11.592 1.00 33.20 H new ATOM 1155 N ASP A 69 -0.124 3.785 9.296 1.00 61.41 N ATOM 1156 CA ASP A 69 -0.394 4.722 8.157 1.00 23.12 C ATOM 1157 C ASP A 69 0.669 5.855 7.995 1.00 23.24 C ATOM 1158 O ASP A 69 1.121 6.119 6.870 1.00 10.25 O ATOM 1159 CB ASP A 69 -1.834 5.312 8.254 1.00 11.42 C ATOM 1160 CG ASP A 69 -2.243 5.709 9.678 1.00 20.51 C ATOM 1161 OD1 ASP A 69 -1.724 6.712 10.203 1.00 33.33 O ATOM 1162 OD2 ASP A 69 -3.085 5.010 10.278 1.00 14.33 O ATOM 0 H ASP A 69 -0.931 3.647 9.904 1.00 61.41 H new ATOM 0 HA ASP A 69 -0.315 4.119 7.253 1.00 23.12 H new ATOM 0 HB2 ASP A 69 -1.903 6.188 7.608 1.00 11.42 H new ATOM 0 HB3 ASP A 69 -2.544 4.578 7.873 1.00 11.42 H new ATOM 1167 N TRP A 70 1.047 6.514 9.110 1.00 72.31 N ATOM 1168 CA TRP A 70 2.142 7.521 9.115 1.00 64.14 C ATOM 1169 C TRP A 70 3.467 6.935 8.560 1.00 33.33 C ATOM 1170 O TRP A 70 4.077 7.535 7.672 1.00 23.42 O ATOM 1171 CB TRP A 70 2.367 8.125 10.534 1.00 15.21 C ATOM 1172 CG TRP A 70 1.310 9.125 10.948 1.00 34.14 C ATOM 1173 CD1 TRP A 70 0.330 8.969 11.888 1.00 34.30 C ATOM 1174 CD2 TRP A 70 1.137 10.445 10.407 1.00 13.44 C ATOM 1175 NE1 TRP A 70 -0.428 10.108 11.969 1.00 52.43 N ATOM 1176 CE2 TRP A 70 0.045 11.028 11.069 1.00 72.22 C ATOM 1177 CE3 TRP A 70 1.810 11.189 9.428 1.00 41.32 C ATOM 1178 CZ2 TRP A 70 -0.398 12.320 10.782 1.00 32.33 C ATOM 1179 CZ3 TRP A 70 1.369 12.467 9.139 1.00 51.04 C ATOM 1180 CH2 TRP A 70 0.276 13.023 9.817 1.00 10.35 C ATOM 0 H TRP A 70 0.613 6.370 10.022 1.00 72.31 H new ATOM 0 HA TRP A 70 1.825 8.326 8.452 1.00 64.14 H new ATOM 0 HB2 TRP A 70 2.393 7.315 11.263 1.00 15.21 H new ATOM 0 HB3 TRP A 70 3.343 8.610 10.561 1.00 15.21 H new ATOM 0 HD1 TRP A 70 0.176 8.079 12.480 1.00 34.30 H new ATOM 0 HE1 TRP A 70 -1.218 10.249 12.599 1.00 52.43 H new ATOM 0 HE3 TRP A 70 2.659 10.771 8.908 1.00 41.32 H new ATOM 0 HZ2 TRP A 70 -1.241 12.751 11.301 1.00 32.33 H new ATOM 0 HZ3 TRP A 70 1.874 13.045 8.380 1.00 51.04 H new ATOM 0 HH2 TRP A 70 -0.042 14.026 9.574 1.00 10.35 H new ATOM 1191 N ASP A 71 3.863 5.744 9.055 1.00 23.31 N ATOM 1192 CA ASP A 71 5.103 5.045 8.617 1.00 44.15 C ATOM 1193 C ASP A 71 5.082 4.762 7.097 1.00 31.04 C ATOM 1194 O ASP A 71 6.047 5.068 6.402 1.00 31.44 O ATOM 1195 CB ASP A 71 5.287 3.726 9.413 1.00 74.25 C ATOM 1196 CG ASP A 71 5.643 3.954 10.890 1.00 50.21 C ATOM 1197 OD1 ASP A 71 4.884 4.655 11.591 1.00 21.42 O ATOM 1198 OD2 ASP A 71 6.683 3.437 11.362 1.00 74.10 O ATOM 0 H ASP A 71 3.339 5.236 9.767 1.00 23.31 H new ATOM 0 HA ASP A 71 5.949 5.701 8.822 1.00 44.15 H new ATOM 0 HB2 ASP A 71 4.368 3.142 9.353 1.00 74.25 H new ATOM 0 HB3 ASP A 71 6.072 3.133 8.944 1.00 74.25 H new ATOM 1203 N ILE A 72 3.947 4.218 6.606 1.00 72.31 N ATOM 1204 CA ILE A 72 3.703 3.953 5.156 1.00 1.35 C ATOM 1205 C ILE A 72 3.991 5.215 4.300 1.00 34.30 C ATOM 1206 O ILE A 72 4.636 5.142 3.246 1.00 55.24 O ATOM 1207 CB ILE A 72 2.203 3.508 4.920 1.00 15.34 C ATOM 1208 CG1 ILE A 72 1.855 2.234 5.753 1.00 44.11 C ATOM 1209 CG2 ILE A 72 1.891 3.284 3.414 1.00 72.23 C ATOM 1210 CD1 ILE A 72 0.380 1.850 5.748 1.00 62.12 C ATOM 0 H ILE A 72 3.165 3.946 7.201 1.00 72.31 H new ATOM 0 HA ILE A 72 4.378 3.153 4.852 1.00 1.35 H new ATOM 0 HB ILE A 72 1.571 4.326 5.265 1.00 15.34 H new ATOM 0 HG12 ILE A 72 2.435 1.396 5.368 1.00 44.11 H new ATOM 0 HG13 ILE A 72 2.171 2.394 6.784 1.00 44.11 H new ATOM 0 HG21 ILE A 72 0.851 2.980 3.299 1.00 72.23 H new ATOM 0 HG22 ILE A 72 2.061 4.211 2.866 1.00 72.23 H new ATOM 0 HG23 ILE A 72 2.543 2.504 3.019 1.00 72.23 H new ATOM 0 HD11 ILE A 72 0.235 0.954 6.352 1.00 62.12 H new ATOM 0 HD12 ILE A 72 -0.210 2.667 6.163 1.00 62.12 H new ATOM 0 HD13 ILE A 72 0.059 1.653 4.725 1.00 62.12 H new ATOM 1222 N TYR A 73 3.517 6.367 4.802 1.00 65.13 N ATOM 1223 CA TYR A 73 3.628 7.666 4.118 1.00 4.31 C ATOM 1224 C TYR A 73 5.096 8.194 4.118 1.00 70.13 C ATOM 1225 O TYR A 73 5.556 8.762 3.124 1.00 12.11 O ATOM 1226 CB TYR A 73 2.658 8.679 4.789 1.00 14.33 C ATOM 1227 CG TYR A 73 2.334 9.906 3.928 1.00 75.12 C ATOM 1228 CD1 TYR A 73 1.421 9.809 2.870 1.00 34.45 C ATOM 1229 CD2 TYR A 73 2.948 11.146 4.148 1.00 73.43 C ATOM 1230 CE1 TYR A 73 1.125 10.899 2.078 1.00 13.01 C ATOM 1231 CE2 TYR A 73 2.654 12.238 3.352 1.00 15.40 C ATOM 1232 CZ TYR A 73 1.745 12.108 2.318 1.00 52.43 C ATOM 1233 OH TYR A 73 1.457 13.192 1.512 1.00 4.13 O ATOM 0 H TYR A 73 3.041 6.423 5.703 1.00 65.13 H new ATOM 0 HA TYR A 73 3.346 7.540 3.073 1.00 4.31 H new ATOM 0 HB2 TYR A 73 1.728 8.166 5.035 1.00 14.33 H new ATOM 0 HB3 TYR A 73 3.095 9.015 5.730 1.00 14.33 H new ATOM 0 HD1 TYR A 73 0.940 8.863 2.671 1.00 34.45 H new ATOM 0 HD2 TYR A 73 3.662 11.251 4.952 1.00 73.43 H new ATOM 0 HE1 TYR A 73 0.411 10.806 1.273 1.00 13.01 H new ATOM 0 HE2 TYR A 73 3.132 13.188 3.537 1.00 15.40 H new ATOM 0 HH TYR A 73 1.974 13.969 1.811 1.00 4.13 H new ATOM 1243 N TYR A 74 5.826 7.982 5.238 1.00 12.52 N ATOM 1244 CA TYR A 74 7.239 8.438 5.391 1.00 53.13 C ATOM 1245 C TYR A 74 8.251 7.514 4.665 1.00 51.13 C ATOM 1246 O TYR A 74 9.381 7.933 4.386 1.00 23.04 O ATOM 1247 CB TYR A 74 7.615 8.566 6.890 1.00 35.32 C ATOM 1248 CG TYR A 74 6.851 9.670 7.647 1.00 70.35 C ATOM 1249 CD1 TYR A 74 6.883 10.996 7.209 1.00 22.22 C ATOM 1250 CD2 TYR A 74 6.118 9.394 8.802 1.00 72.45 C ATOM 1251 CE1 TYR A 74 6.213 11.997 7.892 1.00 40.41 C ATOM 1252 CE2 TYR A 74 5.445 10.388 9.481 1.00 53.43 C ATOM 1253 CZ TYR A 74 5.496 11.688 9.026 1.00 15.50 C ATOM 1254 OH TYR A 74 4.829 12.680 9.716 1.00 12.11 O ATOM 0 H TYR A 74 5.462 7.495 6.057 1.00 12.52 H new ATOM 0 HA TYR A 74 7.301 9.418 4.917 1.00 53.13 H new ATOM 0 HB2 TYR A 74 7.430 7.611 7.381 1.00 35.32 H new ATOM 0 HB3 TYR A 74 8.684 8.762 6.968 1.00 35.32 H new ATOM 0 HD1 TYR A 74 7.442 11.246 6.319 1.00 22.22 H new ATOM 0 HD2 TYR A 74 6.077 8.380 9.172 1.00 72.45 H new ATOM 0 HE1 TYR A 74 6.253 13.016 7.537 1.00 40.41 H new ATOM 0 HE2 TYR A 74 4.878 10.148 10.369 1.00 53.43 H new ATOM 0 HH TYR A 74 3.864 12.518 9.671 1.00 12.11 H new ATOM 1264 N TRP A 75 7.850 6.255 4.396 1.00 50.25 N ATOM 1265 CA TRP A 75 8.647 5.316 3.568 1.00 42.31 C ATOM 1266 C TRP A 75 8.435 5.624 2.073 1.00 24.45 C ATOM 1267 O TRP A 75 9.369 5.532 1.269 1.00 44.20 O ATOM 1268 CB TRP A 75 8.252 3.843 3.847 1.00 74.44 C ATOM 1269 CG TRP A 75 8.390 3.386 5.280 1.00 63.13 C ATOM 1270 CD1 TRP A 75 9.235 3.871 6.246 1.00 73.41 C ATOM 1271 CD2 TRP A 75 7.656 2.315 5.896 1.00 53.42 C ATOM 1272 NE1 TRP A 75 9.053 3.181 7.415 1.00 60.50 N ATOM 1273 CE2 TRP A 75 8.097 2.219 7.224 1.00 64.11 C ATOM 1274 CE3 TRP A 75 6.669 1.432 5.441 1.00 20.32 C ATOM 1275 CZ2 TRP A 75 7.579 1.282 8.112 1.00 12.33 C ATOM 1276 CZ3 TRP A 75 6.155 0.502 6.322 1.00 41.04 C ATOM 1277 CH2 TRP A 75 6.617 0.429 7.645 1.00 14.11 C ATOM 0 H TRP A 75 6.975 5.860 4.740 1.00 50.25 H new ATOM 0 HA TRP A 75 9.697 5.449 3.830 1.00 42.31 H new ATOM 0 HB2 TRP A 75 7.217 3.699 3.538 1.00 74.44 H new ATOM 0 HB3 TRP A 75 8.865 3.197 3.219 1.00 74.44 H new ATOM 0 HD1 TRP A 75 9.939 4.677 6.105 1.00 73.41 H new ATOM 0 HE1 TRP A 75 9.550 3.356 8.288 1.00 60.50 H new ATOM 0 HE3 TRP A 75 6.317 1.478 4.421 1.00 20.32 H new ATOM 0 HZ2 TRP A 75 7.924 1.230 9.134 1.00 12.33 H new ATOM 0 HZ3 TRP A 75 5.386 -0.179 5.988 1.00 41.04 H new ATOM 0 HH2 TRP A 75 6.204 -0.316 8.309 1.00 14.11 H new ATOM 1288 N ALA A 76 7.176 5.966 1.719 1.00 4.44 N ATOM 1289 CA ALA A 76 6.800 6.410 0.355 1.00 43.51 C ATOM 1290 C ALA A 76 7.548 7.701 -0.047 1.00 42.15 C ATOM 1291 O ALA A 76 7.868 7.905 -1.213 1.00 23.22 O ATOM 1292 CB ALA A 76 5.282 6.628 0.279 1.00 41.03 C ATOM 0 H ALA A 76 6.391 5.942 2.370 1.00 4.44 H new ATOM 0 HA ALA A 76 7.089 5.629 -0.348 1.00 43.51 H new ATOM 0 HB1 ALA A 76 5.011 6.954 -0.725 1.00 41.03 H new ATOM 0 HB2 ALA A 76 4.768 5.694 0.508 1.00 41.03 H new ATOM 0 HB3 ALA A 76 4.987 7.391 1.000 1.00 41.03 H new ATOM 1298 N THR A 77 7.806 8.566 0.950 1.00 54.44 N ATOM 1299 CA THR A 77 8.582 9.819 0.775 1.00 65.54 C ATOM 1300 C THR A 77 10.013 9.666 1.361 1.00 1.50 C ATOM 1301 O THR A 77 10.433 8.562 1.719 1.00 74.14 O ATOM 1302 CB THR A 77 7.846 11.019 1.465 1.00 43.22 C ATOM 1303 OG1 THR A 77 7.771 10.810 2.887 1.00 55.51 O ATOM 1304 CG2 THR A 77 6.422 11.219 0.901 1.00 52.30 C ATOM 0 H THR A 77 7.483 8.420 1.906 1.00 54.44 H new ATOM 0 HA THR A 77 8.664 10.021 -0.293 1.00 65.54 H new ATOM 0 HB THR A 77 8.426 11.917 1.255 1.00 43.22 H new ATOM 0 HG1 THR A 77 6.992 10.254 3.095 1.00 55.51 H new ATOM 0 HG21 THR A 77 5.946 12.060 1.405 1.00 52.30 H new ATOM 0 HG22 THR A 77 6.479 11.422 -0.168 1.00 52.30 H new ATOM 0 HG23 THR A 77 5.835 10.316 1.068 1.00 52.30 H new ATOM 1312 N LYS A 78 10.773 10.777 1.435 1.00 42.24 N ATOM 1313 CA LYS A 78 12.100 10.811 2.083 1.00 71.45 C ATOM 1314 C LYS A 78 12.023 11.660 3.369 1.00 63.20 C ATOM 1315 O LYS A 78 12.123 12.894 3.327 1.00 12.42 O ATOM 1316 CB LYS A 78 13.191 11.363 1.117 1.00 10.20 C ATOM 1317 CG LYS A 78 14.623 11.405 1.724 1.00 22.42 C ATOM 1318 CD LYS A 78 15.702 12.016 0.779 1.00 73.24 C ATOM 1319 CE LYS A 78 16.190 11.056 -0.333 1.00 0.44 C ATOM 1320 NZ LYS A 78 15.134 10.717 -1.318 1.00 1.02 N ATOM 0 H LYS A 78 10.485 11.675 1.048 1.00 42.24 H new ATOM 0 HA LYS A 78 12.387 9.792 2.343 1.00 71.45 H new ATOM 0 HB2 LYS A 78 13.208 10.747 0.218 1.00 10.20 H new ATOM 0 HB3 LYS A 78 12.910 12.370 0.808 1.00 10.20 H new ATOM 0 HG2 LYS A 78 14.597 11.983 2.648 1.00 22.42 H new ATOM 0 HG3 LYS A 78 14.922 10.391 1.990 1.00 22.42 H new ATOM 0 HD2 LYS A 78 15.295 12.914 0.315 1.00 73.24 H new ATOM 0 HD3 LYS A 78 16.559 12.326 1.377 1.00 73.24 H new ATOM 0 HE2 LYS A 78 17.031 11.513 -0.855 1.00 0.44 H new ATOM 0 HE3 LYS A 78 16.559 10.138 0.125 1.00 0.44 H new ATOM 0 HZ1 LYS A 78 15.570 10.532 -2.244 1.00 1.02 H new ATOM 0 HZ2 LYS A 78 14.623 9.869 -1.001 1.00 1.02 H new ATOM 0 HZ3 LYS A 78 14.468 11.512 -1.401 1.00 1.02 H new ATOM 1334 N ASN A 79 11.766 10.992 4.495 1.00 4.21 N ATOM 1335 CA ASN A 79 11.836 11.604 5.844 1.00 43.34 C ATOM 1336 C ASN A 79 12.752 10.736 6.734 1.00 54.32 C ATOM 1337 O ASN A 79 13.893 11.126 7.023 1.00 40.54 O ATOM 1338 CB ASN A 79 10.398 11.759 6.425 1.00 51.33 C ATOM 1339 CG ASN A 79 10.309 12.461 7.797 1.00 31.00 C ATOM 1340 OD1 ASN A 79 11.131 12.264 8.685 1.00 45.14 O ATOM 1341 ND2 ASN A 79 9.311 13.304 7.973 1.00 33.13 N ATOM 0 H ASN A 79 11.502 10.007 4.508 1.00 4.21 H new ATOM 0 HA ASN A 79 12.266 12.604 5.799 1.00 43.34 H new ATOM 0 HB2 ASN A 79 9.794 12.318 5.710 1.00 51.33 H new ATOM 0 HB3 ASN A 79 9.952 10.769 6.513 1.00 51.33 H new ATOM 0 HD21 ASN A 79 9.215 13.803 8.857 1.00 33.13 H new ATOM 0 HD22 ASN A 79 8.635 13.457 7.225 1.00 33.13 H new ATOM 1348 N PHE A 80 12.230 9.562 7.165 1.00 34.12 N ATOM 1349 CA PHE A 80 12.976 8.519 7.932 1.00 11.23 C ATOM 1350 C PHE A 80 13.410 8.953 9.367 1.00 42.22 C ATOM 1351 O PHE A 80 13.943 8.134 10.125 1.00 64.25 O ATOM 1352 CB PHE A 80 14.195 7.981 7.121 1.00 72.04 C ATOM 1353 CG PHE A 80 13.835 7.485 5.715 1.00 62.41 C ATOM 1354 CD1 PHE A 80 13.030 6.358 5.539 1.00 5.24 C ATOM 1355 CD2 PHE A 80 14.296 8.145 4.569 1.00 33.35 C ATOM 1356 CE1 PHE A 80 12.694 5.912 4.270 1.00 33.23 C ATOM 1357 CE2 PHE A 80 13.961 7.695 3.304 1.00 52.50 C ATOM 1358 CZ PHE A 80 13.162 6.578 3.156 1.00 1.42 C ATOM 0 H PHE A 80 11.259 9.303 6.989 1.00 34.12 H new ATOM 0 HA PHE A 80 12.259 7.711 8.078 1.00 11.23 H new ATOM 0 HB2 PHE A 80 14.941 8.772 7.037 1.00 72.04 H new ATOM 0 HB3 PHE A 80 14.657 7.165 7.676 1.00 72.04 H new ATOM 0 HD1 PHE A 80 12.664 5.826 6.404 1.00 5.24 H new ATOM 0 HD2 PHE A 80 14.922 9.018 4.674 1.00 33.35 H new ATOM 0 HE1 PHE A 80 12.065 5.042 4.153 1.00 33.23 H new ATOM 0 HE2 PHE A 80 14.325 8.218 2.432 1.00 52.50 H new ATOM 0 HZ PHE A 80 12.904 6.226 2.168 1.00 1.42 H new ATOM 1368 N LYS A 81 13.157 10.217 9.739 1.00 54.13 N ATOM 1369 CA LYS A 81 13.490 10.759 11.077 1.00 5.22 C ATOM 1370 C LYS A 81 12.425 10.304 12.101 1.00 21.13 C ATOM 1371 O LYS A 81 12.732 9.620 13.083 1.00 55.35 O ATOM 1372 CB LYS A 81 13.542 12.312 11.008 1.00 72.31 C ATOM 1373 CG LYS A 81 14.537 12.884 9.974 1.00 65.31 C ATOM 1374 CD LYS A 81 14.473 14.427 9.868 1.00 61.54 C ATOM 1375 CE LYS A 81 13.080 14.955 9.463 1.00 71.01 C ATOM 1376 NZ LYS A 81 13.055 16.430 9.329 1.00 14.21 N ATOM 0 H LYS A 81 12.715 10.899 9.123 1.00 54.13 H new ATOM 0 HA LYS A 81 14.464 10.385 11.392 1.00 5.22 H new ATOM 0 HB2 LYS A 81 12.544 12.684 10.775 1.00 72.31 H new ATOM 0 HB3 LYS A 81 13.804 12.696 11.994 1.00 72.31 H new ATOM 0 HG2 LYS A 81 15.549 12.585 10.247 1.00 65.31 H new ATOM 0 HG3 LYS A 81 14.329 12.449 8.997 1.00 65.31 H new ATOM 0 HD2 LYS A 81 14.754 14.862 10.827 1.00 61.54 H new ATOM 0 HD3 LYS A 81 15.208 14.765 9.138 1.00 61.54 H new ATOM 0 HE2 LYS A 81 12.783 14.501 8.517 1.00 71.01 H new ATOM 0 HE3 LYS A 81 12.347 14.648 10.208 1.00 71.01 H new ATOM 0 HZ1 LYS A 81 12.100 16.738 9.056 1.00 14.21 H new ATOM 0 HZ2 LYS A 81 13.313 16.866 10.238 1.00 14.21 H new ATOM 0 HZ3 LYS A 81 13.735 16.724 8.599 1.00 14.21 H new ATOM 1390 N THR A 82 11.165 10.684 11.815 1.00 15.40 N ATOM 1391 CA THR A 82 9.979 10.336 12.636 1.00 45.14 C ATOM 1392 C THR A 82 9.703 8.814 12.599 1.00 53.20 C ATOM 1393 O THR A 82 9.354 8.195 13.612 1.00 50.35 O ATOM 1394 CB THR A 82 8.706 11.072 12.088 1.00 60.44 C ATOM 1395 OG1 THR A 82 8.372 10.551 10.788 1.00 1.35 O ATOM 1396 CG2 THR A 82 8.909 12.587 11.956 1.00 44.35 C ATOM 0 H THR A 82 10.934 11.249 10.998 1.00 15.40 H new ATOM 0 HA THR A 82 10.189 10.646 13.660 1.00 45.14 H new ATOM 0 HB THR A 82 7.906 10.896 12.807 1.00 60.44 H new ATOM 0 HG1 THR A 82 7.401 10.592 10.659 1.00 1.35 H new ATOM 0 HG21 THR A 82 7.997 13.044 11.573 1.00 44.35 H new ATOM 0 HG22 THR A 82 9.144 13.009 12.933 1.00 44.35 H new ATOM 0 HG23 THR A 82 9.731 12.785 11.268 1.00 44.35 H new ATOM 1404 N SER A 83 9.867 8.245 11.393 1.00 72.35 N ATOM 1405 CA SER A 83 9.564 6.835 11.081 1.00 54.22 C ATOM 1406 C SER A 83 10.606 6.280 10.079 1.00 22.12 C ATOM 1407 O SER A 83 10.459 6.464 8.861 1.00 60.33 O ATOM 1408 CB SER A 83 8.126 6.729 10.511 1.00 64.51 C ATOM 1409 OG SER A 83 7.153 6.922 11.526 1.00 34.23 O ATOM 0 H SER A 83 10.222 8.763 10.589 1.00 72.35 H new ATOM 0 HA SER A 83 9.620 6.236 11.990 1.00 54.22 H new ATOM 0 HB2 SER A 83 7.988 7.473 9.726 1.00 64.51 H new ATOM 0 HB3 SER A 83 7.986 5.751 10.051 1.00 64.51 H new ATOM 0 HG SER A 83 6.256 6.851 11.137 1.00 34.23 H new ATOM 1415 N PRO A 84 11.716 5.641 10.582 1.00 24.02 N ATOM 1416 CA PRO A 84 12.770 5.049 9.714 1.00 53.24 C ATOM 1417 C PRO A 84 12.299 3.780 8.964 1.00 54.12 C ATOM 1418 O PRO A 84 11.308 3.143 9.347 1.00 74.53 O ATOM 1419 CB PRO A 84 13.916 4.741 10.714 1.00 51.22 C ATOM 1420 CG PRO A 84 13.212 4.495 12.016 1.00 44.13 C ATOM 1421 CD PRO A 84 12.041 5.462 12.031 1.00 31.01 C ATOM 0 HA PRO A 84 13.067 5.721 8.909 1.00 53.24 H new ATOM 0 HB2 PRO A 84 14.493 3.870 10.403 1.00 51.22 H new ATOM 0 HB3 PRO A 84 14.613 5.575 10.790 1.00 51.22 H new ATOM 0 HG2 PRO A 84 12.870 3.463 12.089 1.00 44.13 H new ATOM 0 HG3 PRO A 84 13.877 4.670 12.861 1.00 44.13 H new ATOM 0 HD2 PRO A 84 11.194 5.058 12.585 1.00 31.01 H new ATOM 0 HD3 PRO A 84 12.308 6.408 12.502 1.00 31.01 H new ATOM 1429 N LEU A 85 13.027 3.421 7.893 1.00 71.31 N ATOM 1430 CA LEU A 85 12.691 2.264 7.048 1.00 45.14 C ATOM 1431 C LEU A 85 13.292 0.956 7.627 1.00 15.24 C ATOM 1432 O LEU A 85 14.515 0.873 7.804 1.00 33.21 O ATOM 1433 CB LEU A 85 13.202 2.477 5.601 1.00 32.03 C ATOM 1434 CG LEU A 85 12.815 1.356 4.584 1.00 12.12 C ATOM 1435 CD1 LEU A 85 11.282 1.226 4.467 1.00 23.12 C ATOM 1436 CD2 LEU A 85 13.468 1.582 3.205 1.00 52.11 C ATOM 0 H LEU A 85 13.862 3.923 7.590 1.00 71.31 H new ATOM 0 HA LEU A 85 11.605 2.171 7.033 1.00 45.14 H new ATOM 0 HB2 LEU A 85 12.816 3.427 5.233 1.00 32.03 H new ATOM 0 HB3 LEU A 85 14.288 2.563 5.626 1.00 32.03 H new ATOM 0 HG LEU A 85 13.205 0.414 4.969 1.00 12.12 H new ATOM 0 HD11 LEU A 85 11.037 0.439 3.753 1.00 23.12 H new ATOM 0 HD12 LEU A 85 10.863 0.975 5.441 1.00 23.12 H new ATOM 0 HD13 LEU A 85 10.862 2.171 4.123 1.00 23.12 H new ATOM 0 HD21 LEU A 85 13.174 0.781 2.527 1.00 52.11 H new ATOM 0 HD22 LEU A 85 13.140 2.539 2.800 1.00 52.11 H new ATOM 0 HD23 LEU A 85 14.553 1.586 3.312 1.00 52.11 H new ATOM 1448 N PRO A 86 12.443 -0.077 7.940 1.00 25.14 N ATOM 1449 CA PRO A 86 12.918 -1.433 8.315 1.00 22.34 C ATOM 1450 C PRO A 86 13.483 -2.224 7.097 1.00 5.24 C ATOM 1451 O PRO A 86 13.070 -2.002 5.947 1.00 51.24 O ATOM 1452 CB PRO A 86 11.642 -2.122 8.901 1.00 15.53 C ATOM 1453 CG PRO A 86 10.649 -1.011 9.086 1.00 3.13 C ATOM 1454 CD PRO A 86 10.965 -0.014 8.002 1.00 51.32 C ATOM 0 HA PRO A 86 13.747 -1.396 9.022 1.00 22.34 H new ATOM 0 HB2 PRO A 86 11.259 -2.885 8.223 1.00 15.53 H new ATOM 0 HB3 PRO A 86 11.860 -2.617 9.847 1.00 15.53 H new ATOM 0 HG2 PRO A 86 9.626 -1.378 8.997 1.00 3.13 H new ATOM 0 HG3 PRO A 86 10.742 -0.561 10.074 1.00 3.13 H new ATOM 0 HD2 PRO A 86 10.506 -0.286 7.052 1.00 51.32 H new ATOM 0 HD3 PRO A 86 10.610 0.986 8.252 1.00 51.32 H new ATOM 1462 N ASP A 87 14.393 -3.171 7.388 1.00 61.34 N ATOM 1463 CA ASP A 87 15.108 -3.996 6.375 1.00 44.34 C ATOM 1464 C ASP A 87 14.141 -4.822 5.490 1.00 20.31 C ATOM 1465 O ASP A 87 14.400 -5.032 4.302 1.00 10.42 O ATOM 1466 CB ASP A 87 16.103 -4.943 7.092 1.00 11.35 C ATOM 1467 CG ASP A 87 17.034 -4.188 8.053 1.00 5.10 C ATOM 1468 OD1 ASP A 87 16.670 -4.020 9.235 1.00 71.31 O ATOM 1469 OD2 ASP A 87 18.118 -3.734 7.624 1.00 55.15 O ATOM 0 H ASP A 87 14.662 -3.395 8.346 1.00 61.34 H new ATOM 0 HA ASP A 87 15.642 -3.313 5.714 1.00 44.34 H new ATOM 0 HB2 ASP A 87 15.547 -5.699 7.647 1.00 11.35 H new ATOM 0 HB3 ASP A 87 16.701 -5.469 6.348 1.00 11.35 H new ATOM 1474 N LYS A 88 13.032 -5.272 6.104 1.00 64.01 N ATOM 1475 CA LYS A 88 11.954 -6.048 5.437 1.00 52.54 C ATOM 1476 C LYS A 88 11.346 -5.324 4.202 1.00 65.22 C ATOM 1477 O LYS A 88 11.014 -5.971 3.207 1.00 33.44 O ATOM 1478 CB LYS A 88 10.848 -6.381 6.475 1.00 72.51 C ATOM 1479 CG LYS A 88 10.258 -5.145 7.201 1.00 23.25 C ATOM 1480 CD LYS A 88 9.260 -5.505 8.325 1.00 44.22 C ATOM 1481 CE LYS A 88 7.981 -6.179 7.802 1.00 41.03 C ATOM 1482 NZ LYS A 88 7.093 -6.603 8.906 1.00 42.23 N ATOM 0 H LYS A 88 12.850 -5.107 7.094 1.00 64.01 H new ATOM 0 HA LYS A 88 12.402 -6.965 5.054 1.00 52.54 H new ATOM 0 HB2 LYS A 88 10.040 -6.910 5.970 1.00 72.51 H new ATOM 0 HB3 LYS A 88 11.259 -7.063 7.220 1.00 72.51 H new ATOM 0 HG2 LYS A 88 11.074 -4.559 7.625 1.00 23.25 H new ATOM 0 HG3 LYS A 88 9.756 -4.510 6.471 1.00 23.25 H new ATOM 0 HD2 LYS A 88 9.749 -6.170 9.038 1.00 44.22 H new ATOM 0 HD3 LYS A 88 8.990 -4.599 8.867 1.00 44.22 H new ATOM 0 HE2 LYS A 88 7.446 -5.488 7.150 1.00 41.03 H new ATOM 0 HE3 LYS A 88 8.248 -7.045 7.197 1.00 41.03 H new ATOM 0 HZ1 LYS A 88 6.242 -7.053 8.513 1.00 42.23 H new ATOM 0 HZ2 LYS A 88 7.594 -7.282 9.514 1.00 42.23 H new ATOM 0 HZ3 LYS A 88 6.818 -5.773 9.468 1.00 42.23 H new ATOM 1496 N TRP A 89 11.215 -3.983 4.276 1.00 1.44 N ATOM 1497 CA TRP A 89 10.642 -3.163 3.173 1.00 0.31 C ATOM 1498 C TRP A 89 11.727 -2.641 2.213 1.00 53.50 C ATOM 1499 O TRP A 89 11.425 -2.286 1.069 1.00 14.32 O ATOM 1500 CB TRP A 89 9.805 -1.997 3.751 1.00 52.13 C ATOM 1501 CG TRP A 89 8.575 -2.457 4.500 1.00 21.41 C ATOM 1502 CD1 TRP A 89 8.316 -2.342 5.841 1.00 42.34 C ATOM 1503 CD2 TRP A 89 7.442 -3.129 3.932 1.00 5.23 C ATOM 1504 NE1 TRP A 89 7.097 -2.902 6.132 1.00 44.20 N ATOM 1505 CE2 TRP A 89 6.544 -3.392 4.976 1.00 61.00 C ATOM 1506 CE3 TRP A 89 7.107 -3.531 2.631 1.00 33.12 C ATOM 1507 CZ2 TRP A 89 5.333 -4.043 4.761 1.00 1.31 C ATOM 1508 CZ3 TRP A 89 5.909 -4.171 2.416 1.00 1.12 C ATOM 1509 CH2 TRP A 89 5.034 -4.424 3.477 1.00 64.24 C ATOM 0 H TRP A 89 11.498 -3.437 5.090 1.00 1.44 H new ATOM 0 HA TRP A 89 9.988 -3.809 2.588 1.00 0.31 H new ATOM 0 HB2 TRP A 89 10.431 -1.407 4.421 1.00 52.13 H new ATOM 0 HB3 TRP A 89 9.501 -1.339 2.937 1.00 52.13 H new ATOM 0 HD1 TRP A 89 8.974 -1.879 6.562 1.00 42.34 H new ATOM 0 HE1 TRP A 89 6.671 -2.947 7.058 1.00 44.20 H new ATOM 0 HE3 TRP A 89 7.781 -3.341 1.809 1.00 33.12 H new ATOM 0 HZ2 TRP A 89 4.653 -4.241 5.576 1.00 1.31 H new ATOM 0 HZ3 TRP A 89 5.641 -4.482 1.417 1.00 1.12 H new ATOM 0 HH2 TRP A 89 4.101 -4.931 3.281 1.00 64.24 H new ATOM 1520 N ALA A 90 12.984 -2.622 2.681 1.00 43.40 N ATOM 1521 CA ALA A 90 14.153 -2.196 1.873 1.00 44.20 C ATOM 1522 C ALA A 90 14.386 -3.094 0.621 1.00 34.01 C ATOM 1523 O ALA A 90 14.976 -2.647 -0.364 1.00 61.45 O ATOM 1524 CB ALA A 90 15.400 -2.177 2.765 1.00 14.32 C ATOM 0 H ALA A 90 13.227 -2.901 3.632 1.00 43.40 H new ATOM 0 HA ALA A 90 13.947 -1.195 1.493 1.00 44.20 H new ATOM 0 HB1 ALA A 90 16.263 -1.865 2.177 1.00 14.32 H new ATOM 0 HB2 ALA A 90 15.249 -1.478 3.587 1.00 14.32 H new ATOM 0 HB3 ALA A 90 15.576 -3.175 3.166 1.00 14.32 H new ATOM 1530 N ASN A 91 13.916 -4.358 0.673 1.00 74.31 N ATOM 1531 CA ASN A 91 14.029 -5.324 -0.461 1.00 54.45 C ATOM 1532 C ASN A 91 12.700 -5.465 -1.252 1.00 31.32 C ATOM 1533 O ASN A 91 12.714 -5.906 -2.408 1.00 60.33 O ATOM 1534 CB ASN A 91 14.482 -6.713 0.067 1.00 32.14 C ATOM 1535 CG ASN A 91 13.537 -7.278 1.128 1.00 24.35 C ATOM 1536 OD1 ASN A 91 12.594 -8.004 0.827 1.00 41.11 O ATOM 1537 ND2 ASN A 91 13.780 -6.939 2.377 1.00 12.24 N ATOM 0 H ASN A 91 13.449 -4.744 1.493 1.00 74.31 H new ATOM 0 HA ASN A 91 14.776 -4.929 -1.149 1.00 54.45 H new ATOM 0 HB2 ASN A 91 14.544 -7.412 -0.767 1.00 32.14 H new ATOM 0 HB3 ASN A 91 15.484 -6.628 0.487 1.00 32.14 H new ATOM 0 HD21 ASN A 91 13.177 -7.281 3.125 1.00 12.24 H new ATOM 0 HD22 ASN A 91 14.571 -6.334 2.597 1.00 12.24 H new ATOM 1544 N SER A 92 11.564 -5.108 -0.617 1.00 62.11 N ATOM 1545 CA SER A 92 10.209 -5.294 -1.206 1.00 42.22 C ATOM 1546 C SER A 92 9.998 -4.445 -2.485 1.00 2.10 C ATOM 1547 O SER A 92 10.192 -3.223 -2.462 1.00 21.22 O ATOM 1548 CB SER A 92 9.115 -4.944 -0.168 1.00 63.43 C ATOM 1549 OG SER A 92 9.192 -5.785 0.971 1.00 31.41 O ATOM 0 H SER A 92 11.553 -4.685 0.311 1.00 62.11 H new ATOM 0 HA SER A 92 10.131 -6.344 -1.487 1.00 42.22 H new ATOM 0 HB2 SER A 92 9.222 -3.904 0.139 1.00 63.43 H new ATOM 0 HB3 SER A 92 8.131 -5.041 -0.628 1.00 63.43 H new ATOM 0 HG SER A 92 10.036 -5.622 1.441 1.00 31.41 H new ATOM 1555 N LYS A 93 9.585 -5.110 -3.592 1.00 4.21 N ATOM 1556 CA LYS A 93 9.253 -4.428 -4.873 1.00 35.12 C ATOM 1557 C LYS A 93 8.051 -3.476 -4.684 1.00 71.35 C ATOM 1558 O LYS A 93 8.010 -2.398 -5.283 1.00 3.30 O ATOM 1559 CB LYS A 93 8.947 -5.469 -5.988 1.00 42.11 C ATOM 1560 CG LYS A 93 8.592 -4.865 -7.376 1.00 44.23 C ATOM 1561 CD LYS A 93 8.288 -5.946 -8.440 1.00 41.14 C ATOM 1562 CE LYS A 93 7.927 -5.352 -9.818 1.00 41.43 C ATOM 1563 NZ LYS A 93 6.692 -4.516 -9.782 1.00 24.31 N ATOM 0 H LYS A 93 9.473 -6.123 -3.625 1.00 4.21 H new ATOM 0 HA LYS A 93 10.118 -3.840 -5.179 1.00 35.12 H new ATOM 0 HB2 LYS A 93 9.814 -6.120 -6.103 1.00 42.11 H new ATOM 0 HB3 LYS A 93 8.119 -6.097 -5.660 1.00 42.11 H new ATOM 0 HG2 LYS A 93 7.726 -4.211 -7.272 1.00 44.23 H new ATOM 0 HG3 LYS A 93 9.420 -4.246 -7.720 1.00 44.23 H new ATOM 0 HD2 LYS A 93 9.156 -6.597 -8.547 1.00 41.14 H new ATOM 0 HD3 LYS A 93 7.464 -6.569 -8.092 1.00 41.14 H new ATOM 0 HE2 LYS A 93 8.759 -4.747 -10.177 1.00 41.43 H new ATOM 0 HE3 LYS A 93 7.791 -6.163 -10.534 1.00 41.43 H new ATOM 0 HZ1 LYS A 93 6.000 -4.889 -10.463 1.00 24.31 H new ATOM 0 HZ2 LYS A 93 6.284 -4.541 -8.826 1.00 24.31 H new ATOM 0 HZ3 LYS A 93 6.930 -3.535 -10.032 1.00 24.31 H new ATOM 1577 N LEU A 94 7.102 -3.890 -3.820 1.00 54.53 N ATOM 1578 CA LEU A 94 5.911 -3.098 -3.440 1.00 44.33 C ATOM 1579 C LEU A 94 6.256 -1.657 -3.003 1.00 61.01 C ATOM 1580 O LEU A 94 5.633 -0.692 -3.462 1.00 74.23 O ATOM 1581 CB LEU A 94 5.194 -3.792 -2.270 1.00 43.11 C ATOM 1582 CG LEU A 94 3.904 -3.090 -1.766 1.00 64.12 C ATOM 1583 CD1 LEU A 94 2.777 -3.166 -2.821 1.00 11.45 C ATOM 1584 CD2 LEU A 94 3.478 -3.653 -0.405 1.00 24.04 C ATOM 0 H LEU A 94 7.141 -4.799 -3.358 1.00 54.53 H new ATOM 0 HA LEU A 94 5.279 -3.038 -4.326 1.00 44.33 H new ATOM 0 HB2 LEU A 94 4.939 -4.807 -2.574 1.00 43.11 H new ATOM 0 HB3 LEU A 94 5.892 -3.874 -1.436 1.00 43.11 H new ATOM 0 HG LEU A 94 4.119 -2.031 -1.620 1.00 64.12 H new ATOM 0 HD11 LEU A 94 1.887 -2.666 -2.439 1.00 11.45 H new ATOM 0 HD12 LEU A 94 3.103 -2.676 -3.738 1.00 11.45 H new ATOM 0 HD13 LEU A 94 2.545 -4.210 -3.031 1.00 11.45 H new ATOM 0 HD21 LEU A 94 2.572 -3.148 -0.070 1.00 24.04 H new ATOM 0 HD22 LEU A 94 3.284 -4.722 -0.498 1.00 24.04 H new ATOM 0 HD23 LEU A 94 4.274 -3.490 0.321 1.00 24.04 H new ATOM 1596 N LEU A 95 7.235 -1.534 -2.087 1.00 5.22 N ATOM 1597 CA LEU A 95 7.672 -0.226 -1.568 1.00 0.45 C ATOM 1598 C LEU A 95 8.236 0.656 -2.697 1.00 42.24 C ATOM 1599 O LEU A 95 7.997 1.857 -2.722 1.00 43.15 O ATOM 1600 CB LEU A 95 8.730 -0.380 -0.450 1.00 51.24 C ATOM 1601 CG LEU A 95 9.203 0.973 0.181 1.00 12.14 C ATOM 1602 CD1 LEU A 95 8.047 1.694 0.907 1.00 55.45 C ATOM 1603 CD2 LEU A 95 10.419 0.779 1.093 1.00 33.41 C ATOM 0 H LEU A 95 7.739 -2.327 -1.691 1.00 5.22 H new ATOM 0 HA LEU A 95 6.792 0.258 -1.144 1.00 0.45 H new ATOM 0 HB2 LEU A 95 8.319 -1.011 0.338 1.00 51.24 H new ATOM 0 HB3 LEU A 95 9.597 -0.901 -0.856 1.00 51.24 H new ATOM 0 HG LEU A 95 9.521 1.619 -0.637 1.00 12.14 H new ATOM 0 HD11 LEU A 95 8.412 2.629 1.333 1.00 55.45 H new ATOM 0 HD12 LEU A 95 7.247 1.906 0.197 1.00 55.45 H new ATOM 0 HD13 LEU A 95 7.665 1.057 1.705 1.00 55.45 H new ATOM 0 HD21 LEU A 95 10.717 1.740 1.512 1.00 33.41 H new ATOM 0 HD22 LEU A 95 10.162 0.095 1.902 1.00 33.41 H new ATOM 0 HD23 LEU A 95 11.245 0.363 0.515 1.00 33.41 H new ATOM 1615 N LYS A 96 8.956 0.030 -3.643 1.00 23.22 N ATOM 1616 CA LYS A 96 9.550 0.740 -4.799 1.00 12.35 C ATOM 1617 C LYS A 96 8.428 1.340 -5.685 1.00 63.24 C ATOM 1618 O LYS A 96 8.561 2.447 -6.208 1.00 62.55 O ATOM 1619 CB LYS A 96 10.445 -0.219 -5.634 1.00 3.25 C ATOM 1620 CG LYS A 96 11.392 -1.121 -4.804 1.00 41.32 C ATOM 1621 CD LYS A 96 12.350 -0.345 -3.868 1.00 33.24 C ATOM 1622 CE LYS A 96 13.226 -1.295 -3.023 1.00 12.05 C ATOM 1623 NZ LYS A 96 14.148 -0.553 -2.136 1.00 53.02 N ATOM 0 H LYS A 96 9.144 -0.972 -3.633 1.00 23.22 H new ATOM 0 HA LYS A 96 10.177 1.549 -4.425 1.00 12.35 H new ATOM 0 HB2 LYS A 96 9.801 -0.856 -6.241 1.00 3.25 H new ATOM 0 HB3 LYS A 96 11.045 0.376 -6.322 1.00 3.25 H new ATOM 0 HG2 LYS A 96 10.791 -1.805 -4.204 1.00 41.32 H new ATOM 0 HG3 LYS A 96 11.984 -1.731 -5.486 1.00 41.32 H new ATOM 0 HD2 LYS A 96 12.990 0.306 -4.463 1.00 33.24 H new ATOM 0 HD3 LYS A 96 11.769 0.298 -3.206 1.00 33.24 H new ATOM 0 HE2 LYS A 96 12.586 -1.941 -2.422 1.00 12.05 H new ATOM 0 HE3 LYS A 96 13.801 -1.943 -3.684 1.00 12.05 H new ATOM 0 HZ1 LYS A 96 14.530 -1.198 -1.415 1.00 53.02 H new ATOM 0 HZ2 LYS A 96 14.930 -0.160 -2.698 1.00 53.02 H new ATOM 0 HZ3 LYS A 96 13.633 0.221 -1.670 1.00 53.02 H new ATOM 1637 N GLN A 97 7.316 0.584 -5.815 1.00 44.31 N ATOM 1638 CA GLN A 97 6.093 1.028 -6.536 1.00 54.25 C ATOM 1639 C GLN A 97 5.428 2.225 -5.806 1.00 3.02 C ATOM 1640 O GLN A 97 4.955 3.170 -6.436 1.00 52.15 O ATOM 1641 CB GLN A 97 5.057 -0.137 -6.631 1.00 31.11 C ATOM 1642 CG GLN A 97 5.589 -1.490 -7.144 1.00 72.52 C ATOM 1643 CD GLN A 97 6.290 -1.424 -8.500 1.00 44.42 C ATOM 1644 OE1 GLN A 97 5.667 -1.549 -9.544 1.00 73.21 O ATOM 1645 NE2 GLN A 97 7.602 -1.270 -8.489 1.00 50.34 N ATOM 0 H GLN A 97 7.237 -0.354 -5.423 1.00 44.31 H new ATOM 0 HA GLN A 97 6.395 1.334 -7.538 1.00 54.25 H new ATOM 0 HB2 GLN A 97 4.627 -0.292 -5.642 1.00 31.11 H new ATOM 0 HB3 GLN A 97 4.245 0.181 -7.285 1.00 31.11 H new ATOM 0 HG2 GLN A 97 6.285 -1.894 -6.409 1.00 72.52 H new ATOM 0 HG3 GLN A 97 4.757 -2.190 -7.214 1.00 72.52 H new ATOM 0 HE21 GLN A 97 8.096 -1.168 -7.603 1.00 50.34 H new ATOM 0 HE22 GLN A 97 8.121 -1.253 -9.367 1.00 50.34 H new ATOM 1654 N LEU A 98 5.406 2.137 -4.463 1.00 54.04 N ATOM 1655 CA LEU A 98 4.755 3.128 -3.570 1.00 73.30 C ATOM 1656 C LEU A 98 5.496 4.488 -3.600 1.00 25.21 C ATOM 1657 O LEU A 98 4.876 5.547 -3.604 1.00 30.54 O ATOM 1658 CB LEU A 98 4.719 2.560 -2.121 1.00 43.45 C ATOM 1659 CG LEU A 98 3.866 3.362 -1.091 1.00 51.32 C ATOM 1660 CD1 LEU A 98 2.367 3.327 -1.463 1.00 2.33 C ATOM 1661 CD2 LEU A 98 4.108 2.856 0.350 1.00 65.34 C ATOM 0 H LEU A 98 5.844 1.368 -3.956 1.00 54.04 H new ATOM 0 HA LEU A 98 3.739 3.304 -3.922 1.00 73.30 H new ATOM 0 HB2 LEU A 98 4.338 1.540 -2.162 1.00 43.45 H new ATOM 0 HB3 LEU A 98 5.742 2.503 -1.749 1.00 43.45 H new ATOM 0 HG LEU A 98 4.187 4.403 -1.128 1.00 51.32 H new ATOM 0 HD11 LEU A 98 1.796 3.894 -0.728 1.00 2.33 H new ATOM 0 HD12 LEU A 98 2.227 3.768 -2.450 1.00 2.33 H new ATOM 0 HD13 LEU A 98 2.019 2.294 -1.474 1.00 2.33 H new ATOM 0 HD21 LEU A 98 3.500 3.434 1.046 1.00 65.34 H new ATOM 0 HD22 LEU A 98 3.834 1.803 0.417 1.00 65.34 H new ATOM 0 HD23 LEU A 98 5.161 2.974 0.605 1.00 65.34 H new ATOM 1673 N GLN A 99 6.836 4.408 -3.610 1.00 72.50 N ATOM 1674 CA GLN A 99 7.749 5.576 -3.699 1.00 33.02 C ATOM 1675 C GLN A 99 7.655 6.288 -5.070 1.00 32.20 C ATOM 1676 O GLN A 99 7.941 7.488 -5.180 1.00 24.42 O ATOM 1677 CB GLN A 99 9.197 5.098 -3.418 1.00 33.42 C ATOM 1678 CG GLN A 99 9.406 4.576 -1.978 1.00 74.43 C ATOM 1679 CD GLN A 99 10.756 3.886 -1.750 1.00 44.31 C ATOM 1680 OE1 GLN A 99 11.310 3.252 -2.646 1.00 4.25 O ATOM 1681 NE2 GLN A 99 11.297 4.011 -0.552 1.00 31.34 N ATOM 0 H GLN A 99 7.331 3.518 -3.556 1.00 72.50 H new ATOM 0 HA GLN A 99 7.450 6.311 -2.952 1.00 33.02 H new ATOM 0 HB2 GLN A 99 9.453 4.307 -4.123 1.00 33.42 H new ATOM 0 HB3 GLN A 99 9.885 5.923 -3.600 1.00 33.42 H new ATOM 0 HG2 GLN A 99 9.316 5.412 -1.284 1.00 74.43 H new ATOM 0 HG3 GLN A 99 8.607 3.875 -1.738 1.00 74.43 H new ATOM 0 HE21 GLN A 99 10.815 4.543 0.172 1.00 31.34 H new ATOM 0 HE22 GLN A 99 12.197 3.576 -0.351 1.00 31.34 H new ATOM 1690 N GLU A 100 7.296 5.524 -6.117 1.00 22.12 N ATOM 1691 CA GLU A 100 6.964 6.089 -7.440 1.00 62.44 C ATOM 1692 C GLU A 100 5.608 6.826 -7.397 1.00 4.31 C ATOM 1693 O GLU A 100 5.530 8.013 -7.736 1.00 60.42 O ATOM 1694 CB GLU A 100 6.941 4.974 -8.520 1.00 22.33 C ATOM 1695 CG GLU A 100 8.307 4.310 -8.782 1.00 53.35 C ATOM 1696 CD GLU A 100 9.380 5.291 -9.289 1.00 1.10 C ATOM 1697 OE1 GLU A 100 9.366 5.625 -10.490 1.00 3.32 O ATOM 1698 OE2 GLU A 100 10.238 5.733 -8.493 1.00 70.52 O ATOM 0 H GLU A 100 7.228 4.507 -6.073 1.00 22.12 H new ATOM 0 HA GLU A 100 7.737 6.810 -7.704 1.00 62.44 H new ATOM 0 HB2 GLU A 100 6.230 4.206 -8.216 1.00 22.33 H new ATOM 0 HB3 GLU A 100 6.572 5.398 -9.454 1.00 22.33 H new ATOM 0 HG2 GLU A 100 8.658 3.844 -7.861 1.00 53.35 H new ATOM 0 HG3 GLU A 100 8.180 3.513 -9.514 1.00 53.35 H new ATOM 1705 N PHE A 101 4.554 6.114 -6.943 1.00 71.44 N ATOM 1706 CA PHE A 101 3.171 6.635 -6.959 1.00 31.40 C ATOM 1707 C PHE A 101 2.981 7.866 -6.041 1.00 44.22 C ATOM 1708 O PHE A 101 2.195 8.754 -6.369 1.00 21.24 O ATOM 1709 CB PHE A 101 2.140 5.537 -6.594 1.00 21.41 C ATOM 1710 CG PHE A 101 0.695 6.024 -6.739 1.00 14.13 C ATOM 1711 CD1 PHE A 101 0.202 6.382 -7.996 1.00 21.52 C ATOM 1712 CD2 PHE A 101 -0.141 6.197 -5.634 1.00 43.23 C ATOM 1713 CE1 PHE A 101 -1.074 6.877 -8.146 1.00 53.25 C ATOM 1714 CE2 PHE A 101 -1.421 6.703 -5.790 1.00 23.43 C ATOM 1715 CZ PHE A 101 -1.885 7.041 -7.047 1.00 31.31 C ATOM 0 H PHE A 101 4.636 5.173 -6.559 1.00 71.44 H new ATOM 0 HA PHE A 101 2.991 6.959 -7.984 1.00 31.40 H new ATOM 0 HB2 PHE A 101 2.295 4.669 -7.235 1.00 21.41 H new ATOM 0 HB3 PHE A 101 2.309 5.209 -5.568 1.00 21.41 H new ATOM 0 HD1 PHE A 101 0.833 6.269 -8.865 1.00 21.52 H new ATOM 0 HD2 PHE A 101 0.214 5.934 -4.648 1.00 43.23 H new ATOM 0 HE1 PHE A 101 -1.439 7.137 -9.129 1.00 53.25 H new ATOM 0 HE2 PHE A 101 -2.058 6.834 -4.927 1.00 23.43 H new ATOM 0 HZ PHE A 101 -2.884 7.434 -7.167 1.00 31.31 H new ATOM 1725 N SER A 102 3.695 7.907 -4.899 1.00 32.35 N ATOM 1726 CA SER A 102 3.673 9.066 -3.963 1.00 54.41 C ATOM 1727 C SER A 102 3.952 10.396 -4.703 1.00 22.44 C ATOM 1728 O SER A 102 3.296 11.410 -4.453 1.00 32.33 O ATOM 1729 CB SER A 102 4.708 8.869 -2.834 1.00 2.31 C ATOM 1730 OG SER A 102 6.026 8.788 -3.353 1.00 4.14 O ATOM 0 H SER A 102 4.302 7.146 -4.594 1.00 32.35 H new ATOM 0 HA SER A 102 2.674 9.119 -3.530 1.00 54.41 H new ATOM 0 HB2 SER A 102 4.643 9.698 -2.129 1.00 2.31 H new ATOM 0 HB3 SER A 102 4.476 7.960 -2.280 1.00 2.31 H new ATOM 0 HG SER A 102 6.641 8.512 -2.642 1.00 4.14 H new ATOM 1736 N GLU A 103 4.918 10.346 -5.633 1.00 12.42 N ATOM 1737 CA GLU A 103 5.285 11.489 -6.497 1.00 23.33 C ATOM 1738 C GLU A 103 4.301 11.633 -7.695 1.00 10.11 C ATOM 1739 O GLU A 103 4.028 12.746 -8.158 1.00 11.13 O ATOM 1740 CB GLU A 103 6.739 11.296 -7.011 1.00 21.20 C ATOM 1741 CG GLU A 103 7.760 10.914 -5.912 1.00 61.10 C ATOM 1742 CD GLU A 103 7.846 11.928 -4.751 1.00 61.11 C ATOM 1743 OE1 GLU A 103 8.515 12.971 -4.912 1.00 75.44 O ATOM 1744 OE2 GLU A 103 7.261 11.677 -3.669 1.00 62.43 O ATOM 0 H GLU A 103 5.472 9.509 -5.811 1.00 12.42 H new ATOM 0 HA GLU A 103 5.222 12.405 -5.910 1.00 23.33 H new ATOM 0 HB2 GLU A 103 6.741 10.520 -7.777 1.00 21.20 H new ATOM 0 HB3 GLU A 103 7.067 12.218 -7.490 1.00 21.20 H new ATOM 0 HG2 GLU A 103 7.494 9.937 -5.508 1.00 61.10 H new ATOM 0 HG3 GLU A 103 8.746 10.814 -6.366 1.00 61.10 H new ATOM 1751 N ASN A 104 3.775 10.485 -8.178 1.00 75.22 N ATOM 1752 CA ASN A 104 2.870 10.410 -9.365 1.00 72.11 C ATOM 1753 C ASN A 104 1.363 10.596 -9.006 1.00 74.52 C ATOM 1754 O ASN A 104 0.494 10.370 -9.862 1.00 64.41 O ATOM 1755 CB ASN A 104 3.081 9.054 -10.113 1.00 63.12 C ATOM 1756 CG ASN A 104 4.452 8.888 -10.804 1.00 0.41 C ATOM 1757 OD1 ASN A 104 5.522 9.386 -10.208 1.00 32.04 O flip ATOM 1758 ND2 ASN A 104 4.552 8.275 -11.865 1.00 32.21 N flip ATOM 0 H ASN A 104 3.963 9.575 -7.758 1.00 75.22 H new ATOM 0 HA ASN A 104 3.139 11.242 -10.016 1.00 72.11 H new ATOM 0 HB2 ASN A 104 2.951 8.240 -9.399 1.00 63.12 H new ATOM 0 HB3 ASN A 104 2.299 8.947 -10.864 1.00 63.12 H new ATOM 0 HD21 ASN A 104 3.719 7.895 -12.315 1.00 32.21 H new ATOM 0 HD22 ASN A 104 5.468 8.146 -12.295 1.00 32.21 H new ATOM 1765 N LYS A 105 1.048 10.996 -7.751 1.00 41.30 N ATOM 1766 CA LYS A 105 -0.345 11.348 -7.349 1.00 54.11 C ATOM 1767 C LYS A 105 -0.781 12.687 -7.999 1.00 21.20 C ATOM 1768 O LYS A 105 -0.672 13.757 -7.395 1.00 14.11 O ATOM 1769 CB LYS A 105 -0.492 11.436 -5.800 1.00 62.14 C ATOM 1770 CG LYS A 105 -0.391 10.099 -5.043 1.00 50.05 C ATOM 1771 CD LYS A 105 -0.689 10.228 -3.523 1.00 35.22 C ATOM 1772 CE LYS A 105 0.459 10.854 -2.693 1.00 50.11 C ATOM 1773 NZ LYS A 105 0.807 12.250 -3.090 1.00 22.02 N ATOM 0 H LYS A 105 1.732 11.084 -6.999 1.00 41.30 H new ATOM 0 HA LYS A 105 -0.996 10.550 -7.705 1.00 54.11 H new ATOM 0 HB2 LYS A 105 0.277 12.108 -5.418 1.00 62.14 H new ATOM 0 HB3 LYS A 105 -1.456 11.891 -5.570 1.00 62.14 H new ATOM 0 HG2 LYS A 105 -1.089 9.387 -5.484 1.00 50.05 H new ATOM 0 HG3 LYS A 105 0.610 9.689 -5.176 1.00 50.05 H new ATOM 0 HD2 LYS A 105 -1.586 10.833 -3.392 1.00 35.22 H new ATOM 0 HD3 LYS A 105 -0.911 9.238 -3.124 1.00 35.22 H new ATOM 0 HE2 LYS A 105 0.177 10.847 -1.640 1.00 50.11 H new ATOM 0 HE3 LYS A 105 1.346 10.228 -2.790 1.00 50.11 H new ATOM 0 HZ1 LYS A 105 1.130 12.778 -2.254 1.00 22.02 H new ATOM 0 HZ2 LYS A 105 1.566 12.230 -3.801 1.00 22.02 H new ATOM 0 HZ3 LYS A 105 -0.032 12.716 -3.491 1.00 22.02 H new ATOM 1787 N GLU A 106 -1.236 12.610 -9.258 1.00 10.22 N ATOM 1788 CA GLU A 106 -1.670 13.790 -10.042 1.00 4.24 C ATOM 1789 C GLU A 106 -3.166 13.698 -10.410 1.00 10.14 C ATOM 1790 O GLU A 106 -3.915 14.672 -10.286 1.00 1.21 O ATOM 1791 CB GLU A 106 -0.798 13.920 -11.322 1.00 34.24 C ATOM 1792 CG GLU A 106 0.711 14.133 -11.049 1.00 41.15 C ATOM 1793 CD GLU A 106 1.539 14.280 -12.337 1.00 25.35 C ATOM 1794 OE1 GLU A 106 1.601 15.403 -12.889 1.00 72.24 O ATOM 1795 OE2 GLU A 106 2.099 13.273 -12.822 1.00 23.04 O ATOM 0 H GLU A 106 -1.316 11.730 -9.767 1.00 10.22 H new ATOM 0 HA GLU A 106 -1.537 14.680 -9.428 1.00 4.24 H new ATOM 0 HB2 GLU A 106 -0.922 13.020 -11.924 1.00 34.24 H new ATOM 0 HB3 GLU A 106 -1.169 14.755 -11.916 1.00 34.24 H new ATOM 0 HG2 GLU A 106 0.841 15.025 -10.436 1.00 41.15 H new ATOM 0 HG3 GLU A 106 1.093 13.291 -10.472 1.00 41.15 H new ATOM 1802 N LYS A 107 -3.597 12.510 -10.867 1.00 42.21 N ATOM 1803 CA LYS A 107 -5.000 12.270 -11.291 1.00 72.11 C ATOM 1804 C LYS A 107 -5.782 11.467 -10.227 1.00 71.23 C ATOM 1805 O LYS A 107 -5.851 10.231 -10.280 1.00 44.00 O ATOM 1806 CB LYS A 107 -5.039 11.565 -12.679 1.00 63.10 C ATOM 1807 CG LYS A 107 -4.444 12.413 -13.825 1.00 12.55 C ATOM 1808 CD LYS A 107 -4.578 11.742 -15.211 1.00 31.33 C ATOM 1809 CE LYS A 107 -4.094 12.652 -16.358 1.00 52.02 C ATOM 1810 NZ LYS A 107 -4.300 12.025 -17.687 1.00 1.41 N ATOM 0 H LYS A 107 -2.994 11.692 -10.955 1.00 42.21 H new ATOM 0 HA LYS A 107 -5.493 13.237 -11.390 1.00 72.11 H new ATOM 0 HB2 LYS A 107 -4.492 10.624 -12.614 1.00 63.10 H new ATOM 0 HB3 LYS A 107 -6.072 11.317 -12.921 1.00 63.10 H new ATOM 0 HG2 LYS A 107 -4.942 13.382 -13.848 1.00 12.55 H new ATOM 0 HG3 LYS A 107 -3.390 12.601 -13.620 1.00 12.55 H new ATOM 0 HD2 LYS A 107 -4.003 10.816 -15.220 1.00 31.33 H new ATOM 0 HD3 LYS A 107 -5.620 11.472 -15.381 1.00 31.33 H new ATOM 0 HE2 LYS A 107 -4.628 13.601 -16.318 1.00 52.02 H new ATOM 0 HE3 LYS A 107 -3.036 12.875 -16.222 1.00 52.02 H new ATOM 0 HZ1 LYS A 107 -3.962 12.669 -18.431 1.00 1.41 H new ATOM 0 HZ2 LYS A 107 -3.770 11.131 -17.735 1.00 1.41 H new ATOM 0 HZ3 LYS A 107 -5.313 11.835 -17.828 1.00 1.41 H new ATOM 1824 N GLU A 108 -6.326 12.187 -9.230 1.00 34.43 N ATOM 1825 CA GLU A 108 -7.235 11.615 -8.204 1.00 10.21 C ATOM 1826 C GLU A 108 -8.679 11.464 -8.774 1.00 25.30 C ATOM 1827 O GLU A 108 -9.594 12.241 -8.466 1.00 10.15 O ATOM 1828 CB GLU A 108 -7.200 12.483 -6.907 1.00 23.15 C ATOM 1829 CG GLU A 108 -7.499 13.990 -7.120 1.00 41.53 C ATOM 1830 CD GLU A 108 -7.536 14.794 -5.812 1.00 61.02 C ATOM 1831 OE1 GLU A 108 -6.474 15.272 -5.365 1.00 41.22 O ATOM 1832 OE2 GLU A 108 -8.632 14.945 -5.224 1.00 65.43 O ATOM 0 H GLU A 108 -6.151 13.184 -9.107 1.00 34.43 H new ATOM 0 HA GLU A 108 -6.890 10.616 -7.937 1.00 10.21 H new ATOM 0 HB2 GLU A 108 -7.924 12.081 -6.199 1.00 23.15 H new ATOM 0 HB3 GLU A 108 -6.216 12.384 -6.448 1.00 23.15 H new ATOM 0 HG2 GLU A 108 -6.740 14.414 -7.777 1.00 41.53 H new ATOM 0 HG3 GLU A 108 -8.457 14.095 -7.630 1.00 41.53 H new ATOM 1839 N ILE A 109 -8.856 10.453 -9.639 1.00 75.33 N ATOM 1840 CA ILE A 109 -10.115 10.237 -10.386 1.00 71.02 C ATOM 1841 C ILE A 109 -11.253 9.710 -9.472 1.00 25.13 C ATOM 1842 O ILE A 109 -12.220 10.425 -9.187 1.00 33.34 O ATOM 1843 CB ILE A 109 -9.900 9.248 -11.597 1.00 34.04 C ATOM 1844 CG1 ILE A 109 -9.430 7.835 -11.103 1.00 31.30 C ATOM 1845 CG2 ILE A 109 -8.897 9.849 -12.620 1.00 63.41 C ATOM 1846 CD1 ILE A 109 -9.304 6.785 -12.199 1.00 31.34 C ATOM 0 H ILE A 109 -8.135 9.761 -9.843 1.00 75.33 H new ATOM 0 HA ILE A 109 -10.416 11.210 -10.773 1.00 71.02 H new ATOM 0 HB ILE A 109 -10.858 9.114 -12.099 1.00 34.04 H new ATOM 0 HG12 ILE A 109 -8.465 7.941 -10.608 1.00 31.30 H new ATOM 0 HG13 ILE A 109 -10.135 7.475 -10.353 1.00 31.30 H new ATOM 0 HG21 ILE A 109 -8.761 9.153 -13.448 1.00 63.41 H new ATOM 0 HG22 ILE A 109 -9.287 10.793 -13.000 1.00 63.41 H new ATOM 0 HG23 ILE A 109 -7.938 10.022 -12.131 1.00 63.41 H new ATOM 0 HD11 ILE A 109 -8.974 5.842 -11.763 1.00 31.34 H new ATOM 0 HD12 ILE A 109 -10.272 6.643 -12.680 1.00 31.34 H new ATOM 0 HD13 ILE A 109 -8.576 7.117 -12.939 1.00 31.34 H new TER 1858 ILE A 109