USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 665 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 64 GLN : amide:sc= -0.321 K(o=-0.42,f=-2.7!) USER MOD Set 1.2: A 66 HIS :FLIP no HD1:sc= -0.0974 F(o=-1.8,f=-0.42) USER MOD Set 2.1: A 51 TYR OH : rot -155:sc= 0.358 USER MOD Set 2.2: A 57 LYS NZ :NH3+ -153:sc= 0.844 (180deg=0.453) USER MOD Set 2.3: A 61 TYR OH : rot -161:sc= -0.862! USER MOD Set 3.1: A 33 CYS SG : rot -70:sc= -0.648 USER MOD Set 3.2: A 38 MET CE :methyl 146:sc= -0.244 (180deg=-0.434) USER MOD Single : A 16 SER OG : rot -24:sc= 0.24 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= -0.0663 (180deg=-0.148) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.409 K(o=-0.41,f=-3.3!) USER MOD Single : A 49 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 0.119 (180deg=0.118) USER MOD Single : A 60 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.0079) USER MOD Single : A 70 HIS : +bothHN:sc= -0.836 K(o=-0.84,f=-3.3) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.129 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.0478 X(o=-0.048,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 16 -14.959 11.889 3.269 1.00 0.00 N ATOM 2 CA SER A 16 -14.356 10.570 3.105 1.00 0.00 C ATOM 3 C SER A 16 -12.927 10.555 3.639 1.00 0.00 C ATOM 4 O SER A 16 -12.394 11.587 4.045 1.00 0.00 O ATOM 5 CB SER A 16 -14.365 10.160 1.631 1.00 0.00 C ATOM 6 OG SER A 16 -13.880 11.207 0.808 1.00 0.00 O ATOM 0 HA SER A 16 -14.947 9.855 3.677 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.750 9.271 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 16 -15.379 9.896 1.330 1.00 0.00 H new ATOM 0 HG SER A 16 -14.009 12.066 1.262 1.00 0.00 H new ATOM 12 N GLU A 17 -12.312 9.376 3.636 1.00 0.00 N ATOM 13 CA GLU A 17 -10.945 9.225 4.120 1.00 0.00 C ATOM 14 C GLU A 17 -9.977 9.025 2.960 1.00 0.00 C ATOM 15 O GLU A 17 -10.392 8.779 1.827 1.00 0.00 O ATOM 16 CB GLU A 17 -10.851 8.045 5.088 1.00 0.00 C ATOM 17 CG GLU A 17 -11.390 8.352 6.476 1.00 0.00 C ATOM 18 CD GLU A 17 -12.585 7.493 6.843 1.00 0.00 C ATOM 19 OE1 GLU A 17 -12.421 6.259 6.946 1.00 0.00 O ATOM 20 OE2 GLU A 17 -13.685 8.055 7.029 1.00 0.00 O ATOM 0 H GLU A 17 -12.739 8.512 3.304 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.669 10.139 4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.401 7.200 4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.809 7.737 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.599 8.200 7.210 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.674 9.403 6.527 1.00 0.00 H new ATOM 27 N PHE A 18 -8.684 9.130 3.249 1.00 0.00 N ATOM 28 CA PHE A 18 -7.657 8.957 2.228 1.00 0.00 C ATOM 29 C PHE A 18 -7.616 7.515 1.739 1.00 0.00 C ATOM 30 O PHE A 18 -8.025 6.596 2.449 1.00 0.00 O ATOM 31 CB PHE A 18 -6.287 9.358 2.779 1.00 0.00 C ATOM 32 CG PHE A 18 -5.460 10.154 1.810 1.00 0.00 C ATOM 33 CD1 PHE A 18 -4.834 9.534 0.740 1.00 0.00 C ATOM 34 CD2 PHE A 18 -5.310 11.521 1.969 1.00 0.00 C ATOM 35 CE1 PHE A 18 -4.074 10.264 -0.152 1.00 0.00 C ATOM 36 CE2 PHE A 18 -4.551 12.255 1.080 1.00 0.00 C ATOM 37 CZ PHE A 18 -3.931 11.627 0.018 1.00 0.00 C ATOM 0 H PHE A 18 -8.323 9.334 4.181 1.00 0.00 H new ATOM 0 HA PHE A 18 -7.906 9.602 1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.427 9.941 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.739 8.458 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -4.942 8.468 0.603 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.792 12.018 2.798 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.592 9.769 -0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.442 13.321 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.336 12.200 -0.678 1.00 0.00 H new ATOM 47 N LYS A 19 -7.119 7.319 0.522 1.00 0.00 N ATOM 48 CA LYS A 19 -7.026 5.984 -0.056 1.00 0.00 C ATOM 49 C LYS A 19 -6.033 5.956 -1.213 1.00 0.00 C ATOM 50 O LYS A 19 -6.199 6.667 -2.206 1.00 0.00 O ATOM 51 CB LYS A 19 -8.402 5.517 -0.535 1.00 0.00 C ATOM 52 CG LYS A 19 -8.765 4.115 -0.072 1.00 0.00 C ATOM 53 CD LYS A 19 -8.075 3.055 -0.917 1.00 0.00 C ATOM 54 CE LYS A 19 -8.899 2.692 -2.141 1.00 0.00 C ATOM 55 NZ LYS A 19 -8.328 3.272 -3.387 1.00 0.00 N ATOM 0 H LYS A 19 -6.775 8.066 -0.082 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.668 5.305 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.158 6.216 -0.177 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.428 5.549 -1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.481 3.991 0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.845 3.980 -0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.097 3.419 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.905 2.163 -0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.950 1.607 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.921 3.049 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.869 2.932 -4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.381 4.310 -3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.334 2.980 -3.482 1.00 0.00 H new ATOM 69 N VAL A 20 -5.003 5.129 -1.079 1.00 0.00 N ATOM 70 CA VAL A 20 -3.984 5.003 -2.113 1.00 0.00 C ATOM 71 C VAL A 20 -3.694 3.538 -2.419 1.00 0.00 C ATOM 72 O VAL A 20 -3.692 2.695 -1.522 1.00 0.00 O ATOM 73 CB VAL A 20 -2.671 5.697 -1.704 1.00 0.00 C ATOM 74 CG1 VAL A 20 -2.793 7.205 -1.864 1.00 0.00 C ATOM 75 CG2 VAL A 20 -2.293 5.332 -0.277 1.00 0.00 C ATOM 0 H VAL A 20 -4.852 4.535 -0.264 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.379 5.491 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.876 5.348 -2.363 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.856 7.679 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.010 7.444 -2.905 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.600 7.574 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.363 5.832 -0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.085 5.649 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.160 4.253 -0.201 1.00 0.00 H new ATOM 85 N THR A 21 -3.452 3.240 -3.692 1.00 0.00 N ATOM 86 CA THR A 21 -3.162 1.876 -4.116 1.00 0.00 C ATOM 87 C THR A 21 -1.672 1.692 -4.377 1.00 0.00 C ATOM 88 O THR A 21 -1.136 2.209 -5.356 1.00 0.00 O ATOM 89 CB THR A 21 -3.959 1.530 -5.373 1.00 0.00 C ATOM 90 OG1 THR A 21 -5.347 1.715 -5.156 1.00 0.00 O ATOM 91 CG2 THR A 21 -3.754 0.104 -5.838 1.00 0.00 C ATOM 0 H THR A 21 -3.451 3.925 -4.447 1.00 0.00 H new ATOM 0 HA THR A 21 -3.456 1.202 -3.311 1.00 0.00 H new ATOM 0 HB THR A 21 -3.587 2.205 -6.144 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.839 1.490 -5.973 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.348 -0.075 -6.734 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.700 -0.057 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.066 -0.583 -5.052 1.00 0.00 H new ATOM 99 N VAL A 22 -1.008 0.950 -3.498 1.00 0.00 N ATOM 100 CA VAL A 22 0.420 0.696 -3.637 1.00 0.00 C ATOM 101 C VAL A 22 0.671 -0.659 -4.287 1.00 0.00 C ATOM 102 O VAL A 22 0.556 -1.700 -3.640 1.00 0.00 O ATOM 103 CB VAL A 22 1.134 0.739 -2.274 1.00 0.00 C ATOM 104 CG1 VAL A 22 2.642 0.674 -2.457 1.00 0.00 C ATOM 105 CG2 VAL A 22 0.736 1.988 -1.503 1.00 0.00 C ATOM 0 H VAL A 22 -1.436 0.514 -2.681 1.00 0.00 H new ATOM 0 HA VAL A 22 0.823 1.484 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 22 0.825 -0.132 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.129 0.706 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.907 -0.253 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.973 1.523 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.250 2.002 -0.542 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.013 2.873 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.341 1.986 -1.338 1.00 0.00 H new ATOM 115 N CYS A 23 1.014 -0.640 -5.570 1.00 0.00 N ATOM 116 CA CYS A 23 1.280 -1.869 -6.306 1.00 0.00 C ATOM 117 C CYS A 23 2.725 -2.316 -6.116 1.00 0.00 C ATOM 118 O CYS A 23 3.638 -1.780 -6.742 1.00 0.00 O ATOM 119 CB CYS A 23 0.987 -1.672 -7.795 1.00 0.00 C ATOM 120 SG CYS A 23 0.957 -3.207 -8.750 1.00 0.00 S ATOM 0 H CYS A 23 1.114 0.212 -6.121 1.00 0.00 H new ATOM 0 HA CYS A 23 0.624 -2.646 -5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 23 0.025 -1.171 -7.902 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.741 -1.008 -8.218 1.00 0.00 H new ATOM 0 HG CYS A 23 0.700 -2.938 -9.996 1.00 0.00 H new ATOM 126 N PHE A 24 2.921 -3.304 -5.250 1.00 0.00 N ATOM 127 CA PHE A 24 4.255 -3.828 -4.982 1.00 0.00 C ATOM 128 C PHE A 24 4.679 -4.796 -6.079 1.00 0.00 C ATOM 129 O PHE A 24 4.276 -5.958 -6.082 1.00 0.00 O ATOM 130 CB PHE A 24 4.285 -4.531 -3.623 1.00 0.00 C ATOM 131 CG PHE A 24 4.459 -3.589 -2.465 1.00 0.00 C ATOM 132 CD1 PHE A 24 3.438 -2.727 -2.098 1.00 0.00 C ATOM 133 CD2 PHE A 24 5.641 -3.566 -1.745 1.00 0.00 C ATOM 134 CE1 PHE A 24 3.594 -1.858 -1.034 1.00 0.00 C ATOM 135 CE2 PHE A 24 5.804 -2.700 -0.679 1.00 0.00 C ATOM 136 CZ PHE A 24 4.779 -1.846 -0.324 1.00 0.00 C ATOM 0 H PHE A 24 2.175 -3.757 -4.723 1.00 0.00 H new ATOM 0 HA PHE A 24 4.955 -2.993 -4.964 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.358 -5.089 -3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.098 -5.257 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.509 -2.734 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.446 -4.232 -2.019 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.791 -1.190 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 24 6.731 -2.692 -0.125 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.903 -1.169 0.508 1.00 0.00 H new ATOM 146 N GLY A 25 5.494 -4.306 -7.010 1.00 0.00 N ATOM 147 CA GLY A 25 5.954 -5.144 -8.104 1.00 0.00 C ATOM 148 C GLY A 25 4.811 -5.638 -8.969 1.00 0.00 C ATOM 149 O GLY A 25 4.542 -5.078 -10.033 1.00 0.00 O ATOM 0 H GLY A 25 5.843 -3.348 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.656 -4.581 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.497 -5.999 -7.701 1.00 0.00 H new ATOM 153 N ARG A 26 4.135 -6.684 -8.509 1.00 0.00 N ATOM 154 CA ARG A 26 3.009 -7.252 -9.242 1.00 0.00 C ATOM 155 C ARG A 26 1.860 -7.580 -8.293 1.00 0.00 C ATOM 156 O ARG A 26 1.095 -8.517 -8.525 1.00 0.00 O ATOM 157 CB ARG A 26 3.448 -8.510 -9.998 1.00 0.00 C ATOM 158 CG ARG A 26 3.602 -8.296 -11.493 1.00 0.00 C ATOM 159 CD ARG A 26 4.782 -9.076 -12.052 1.00 0.00 C ATOM 160 NE ARG A 26 4.679 -9.264 -13.497 1.00 0.00 N ATOM 161 CZ ARG A 26 5.700 -9.628 -14.271 1.00 0.00 C ATOM 162 NH1 ARG A 26 6.898 -9.844 -13.743 1.00 0.00 N ATOM 163 NH2 ARG A 26 5.521 -9.775 -15.577 1.00 0.00 N ATOM 0 H ARG A 26 4.347 -7.157 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 26 2.660 -6.513 -9.963 1.00 0.00 H new ATOM 0 HB2 ARG A 26 4.397 -8.857 -9.589 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.718 -9.301 -9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.688 -8.604 -12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.738 -7.234 -11.697 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.707 -8.549 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.838 -10.049 -11.563 1.00 0.00 H new ATOM 0 HE ARG A 26 3.773 -9.107 -13.939 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.041 -9.731 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.676 -10.123 -14.341 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.602 -9.609 -15.988 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.302 -10.054 -16.171 1.00 0.00 H new ATOM 177 N THR A 27 1.746 -6.800 -7.221 1.00 0.00 N ATOM 178 CA THR A 27 0.692 -7.003 -6.232 1.00 0.00 C ATOM 179 C THR A 27 0.106 -5.667 -5.781 1.00 0.00 C ATOM 180 O THR A 27 0.821 -4.807 -5.270 1.00 0.00 O ATOM 181 CB THR A 27 1.237 -7.768 -5.025 1.00 0.00 C ATOM 182 OG1 THR A 27 1.791 -9.008 -5.425 1.00 0.00 O ATOM 183 CG2 THR A 27 0.187 -8.053 -3.973 1.00 0.00 C ATOM 0 H THR A 27 2.371 -6.021 -7.015 1.00 0.00 H new ATOM 0 HA THR A 27 -0.101 -7.589 -6.696 1.00 0.00 H new ATOM 0 HB THR A 27 1.997 -7.118 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.989 -9.549 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.640 -8.598 -3.145 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.225 -7.113 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.611 -8.654 -4.409 1.00 0.00 H new ATOM 191 N ARG A 28 -1.198 -5.503 -5.976 1.00 0.00 N ATOM 192 CA ARG A 28 -1.880 -4.272 -5.589 1.00 0.00 C ATOM 193 C ARG A 28 -2.301 -4.318 -4.124 1.00 0.00 C ATOM 194 O ARG A 28 -2.977 -5.251 -3.690 1.00 0.00 O ATOM 195 CB ARG A 28 -3.107 -4.046 -6.476 1.00 0.00 C ATOM 196 CG ARG A 28 -4.012 -5.264 -6.584 1.00 0.00 C ATOM 197 CD ARG A 28 -5.446 -4.929 -6.204 1.00 0.00 C ATOM 198 NE ARG A 28 -6.197 -4.381 -7.330 1.00 0.00 N ATOM 199 CZ ARG A 28 -7.485 -4.052 -7.274 1.00 0.00 C ATOM 200 NH1 ARG A 28 -8.170 -4.216 -6.148 1.00 0.00 N ATOM 201 NH2 ARG A 28 -8.091 -3.559 -8.346 1.00 0.00 N ATOM 0 H ARG A 28 -1.804 -6.206 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.184 -3.444 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.683 -3.210 -6.079 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.776 -3.760 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.985 -5.649 -7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.638 -6.055 -5.934 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.944 -5.828 -5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.445 -4.210 -5.385 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.705 -4.242 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.709 -4.596 -5.321 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.157 -3.962 -6.110 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.570 -3.432 -9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.078 -3.307 -8.303 1.00 0.00 H new ATOM 215 N VAL A 29 -1.898 -3.304 -3.366 1.00 0.00 N ATOM 216 CA VAL A 29 -2.235 -3.225 -1.950 1.00 0.00 C ATOM 217 C VAL A 29 -2.817 -1.859 -1.600 1.00 0.00 C ATOM 218 O VAL A 29 -2.127 -0.842 -1.677 1.00 0.00 O ATOM 219 CB VAL A 29 -1.003 -3.485 -1.063 1.00 0.00 C ATOM 220 CG1 VAL A 29 -1.410 -3.595 0.398 1.00 0.00 C ATOM 221 CG2 VAL A 29 -0.273 -4.740 -1.517 1.00 0.00 C ATOM 0 H VAL A 29 -1.337 -2.525 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.981 -3.997 -1.759 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.322 -2.640 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.526 -3.779 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.883 -2.666 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.112 -4.420 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.594 -4.907 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.944 -5.596 -1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.055 -4.617 -2.549 1.00 0.00 H new ATOM 231 N ASP A 30 -4.089 -1.843 -1.220 1.00 0.00 N ATOM 232 CA ASP A 30 -4.763 -0.601 -0.860 1.00 0.00 C ATOM 233 C ASP A 30 -4.314 -0.116 0.514 1.00 0.00 C ATOM 234 O ASP A 30 -4.026 -0.917 1.403 1.00 0.00 O ATOM 235 CB ASP A 30 -6.281 -0.798 -0.875 1.00 0.00 C ATOM 236 CG ASP A 30 -6.727 -1.930 0.029 1.00 0.00 C ATOM 237 OD1 ASP A 30 -6.914 -1.685 1.239 1.00 0.00 O ATOM 238 OD2 ASP A 30 -6.888 -3.061 -0.474 1.00 0.00 O ATOM 0 H ASP A 30 -4.674 -2.676 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.494 0.156 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.767 0.126 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.608 -1.001 -1.895 1.00 0.00 H new ATOM 243 N VAL A 31 -4.257 1.201 0.681 1.00 0.00 N ATOM 244 CA VAL A 31 -3.841 1.794 1.947 1.00 0.00 C ATOM 245 C VAL A 31 -4.654 3.046 2.266 1.00 0.00 C ATOM 246 O VAL A 31 -4.315 4.145 1.826 1.00 0.00 O ATOM 247 CB VAL A 31 -2.345 2.159 1.931 1.00 0.00 C ATOM 248 CG1 VAL A 31 -1.883 2.585 3.316 1.00 0.00 C ATOM 249 CG2 VAL A 31 -1.514 0.992 1.419 1.00 0.00 C ATOM 0 H VAL A 31 -4.494 1.878 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.018 1.044 2.718 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.204 3.000 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.823 2.839 3.284 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.455 3.455 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.039 1.767 4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.460 1.270 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.660 0.129 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.826 0.740 0.406 1.00 0.00 H new ATOM 259 N PRO A 32 -5.747 2.897 3.037 1.00 0.00 N ATOM 260 CA PRO A 32 -6.611 4.015 3.411 1.00 0.00 C ATOM 261 C PRO A 32 -6.104 4.751 4.648 1.00 0.00 C ATOM 262 O PRO A 32 -5.829 4.138 5.679 1.00 0.00 O ATOM 263 CB PRO A 32 -7.936 3.322 3.709 1.00 0.00 C ATOM 264 CG PRO A 32 -7.546 1.988 4.252 1.00 0.00 C ATOM 265 CD PRO A 32 -6.234 1.621 3.599 1.00 0.00 C ATOM 0 HA PRO A 32 -6.667 4.778 2.635 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.526 3.887 4.430 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.543 3.222 2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.441 2.027 5.336 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.310 1.242 4.032 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.530 1.208 4.322 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.371 0.869 2.822 1.00 0.00 H new ATOM 273 N CYS A 33 -5.983 6.071 4.540 1.00 0.00 N ATOM 274 CA CYS A 33 -5.512 6.890 5.650 1.00 0.00 C ATOM 275 C CYS A 33 -6.684 7.528 6.390 1.00 0.00 C ATOM 276 O CYS A 33 -7.629 8.021 5.771 1.00 0.00 O ATOM 277 CB CYS A 33 -4.559 7.975 5.147 1.00 0.00 C ATOM 278 SG CYS A 33 -3.225 8.377 6.299 1.00 0.00 S ATOM 0 H CYS A 33 -6.205 6.596 3.694 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.976 6.242 6.343 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.123 7.651 4.202 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.131 8.879 4.941 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.715 8.999 7.330 1.00 0.00 H new ATOM 284 N GLY A 34 -6.618 7.512 7.717 1.00 0.00 N ATOM 285 CA GLY A 34 -7.678 8.091 8.522 1.00 0.00 C ATOM 286 C GLY A 34 -7.868 9.573 8.264 1.00 0.00 C ATOM 287 O GLY A 34 -8.988 10.032 8.044 1.00 0.00 O ATOM 0 H GLY A 34 -5.848 7.108 8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.612 7.568 8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.453 7.936 9.577 1.00 0.00 H new ATOM 291 N ASP A 35 -6.771 10.323 8.296 1.00 0.00 N ATOM 292 CA ASP A 35 -6.825 11.763 8.067 1.00 0.00 C ATOM 293 C ASP A 35 -5.861 12.177 6.962 1.00 0.00 C ATOM 294 O ASP A 35 -6.205 12.975 6.089 1.00 0.00 O ATOM 295 CB ASP A 35 -6.493 12.516 9.356 1.00 0.00 C ATOM 296 CG ASP A 35 -7.734 12.935 10.117 1.00 0.00 C ATOM 297 OD1 ASP A 35 -8.544 12.049 10.467 1.00 0.00 O ATOM 298 OD2 ASP A 35 -7.899 14.148 10.366 1.00 0.00 O ATOM 0 H ASP A 35 -5.836 9.959 8.478 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.837 12.017 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.875 11.884 9.994 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.902 13.400 9.115 1.00 0.00 H new ATOM 303 N GLY A 36 -4.650 11.632 7.006 1.00 0.00 N ATOM 304 CA GLY A 36 -3.653 11.958 6.006 1.00 0.00 C ATOM 305 C GLY A 36 -2.451 12.675 6.594 1.00 0.00 C ATOM 306 O GLY A 36 -1.687 13.313 5.870 1.00 0.00 O ATOM 0 H GLY A 36 -4.342 10.970 7.718 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.322 11.042 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.106 12.585 5.238 1.00 0.00 H new ATOM 310 N ARG A 37 -2.284 12.571 7.910 1.00 0.00 N ATOM 311 CA ARG A 37 -1.166 13.213 8.591 1.00 0.00 C ATOM 312 C ARG A 37 -0.036 12.217 8.829 1.00 0.00 C ATOM 313 O ARG A 37 0.722 12.341 9.791 1.00 0.00 O ATOM 314 CB ARG A 37 -1.629 13.816 9.919 1.00 0.00 C ATOM 315 CG ARG A 37 -1.750 15.331 9.892 1.00 0.00 C ATOM 316 CD ARG A 37 -1.705 15.922 11.294 1.00 0.00 C ATOM 317 NE ARG A 37 -2.912 16.685 11.606 1.00 0.00 N ATOM 318 CZ ARG A 37 -3.124 17.936 11.200 1.00 0.00 C ATOM 319 NH1 ARG A 37 -2.218 18.566 10.464 1.00 0.00 N ATOM 320 NH2 ARG A 37 -4.250 18.556 11.532 1.00 0.00 N ATOM 0 H ARG A 37 -2.909 12.049 8.524 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.790 14.013 7.954 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.595 13.388 10.185 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.927 13.530 10.702 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.941 15.751 9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.685 15.613 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.585 15.120 12.022 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.833 16.569 11.387 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.634 16.233 12.167 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.352 18.093 10.205 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -2.387 19.524 10.157 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.950 18.075 12.096 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.415 19.514 11.223 1.00 0.00 H new ATOM 334 N MET A 38 0.068 11.230 7.947 1.00 0.00 N ATOM 335 CA MET A 38 1.104 10.210 8.056 1.00 0.00 C ATOM 336 C MET A 38 2.162 10.398 6.977 1.00 0.00 C ATOM 337 O MET A 38 1.841 10.602 5.806 1.00 0.00 O ATOM 338 CB MET A 38 0.492 8.814 7.943 1.00 0.00 C ATOM 339 CG MET A 38 1.379 7.713 8.498 1.00 0.00 C ATOM 340 SD MET A 38 0.435 6.287 9.071 1.00 0.00 S ATOM 341 CE MET A 38 -0.700 6.061 7.704 1.00 0.00 C ATOM 0 H MET A 38 -0.554 11.114 7.147 1.00 0.00 H new ATOM 0 HA MET A 38 1.578 10.313 9.032 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.462 8.801 8.471 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.279 8.604 6.895 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.081 7.394 7.728 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.970 8.109 9.324 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.904 4.998 7.572 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.632 6.586 7.914 1.00 0.00 H new ATOM 0 HE3 MET A 38 -0.256 6.461 6.792 1.00 0.00 H new ATOM 351 N LYS A 39 3.425 10.324 7.374 1.00 0.00 N ATOM 352 CA LYS A 39 4.528 10.482 6.437 1.00 0.00 C ATOM 353 C LYS A 39 4.620 9.272 5.514 1.00 0.00 C ATOM 354 O LYS A 39 4.294 8.151 5.908 1.00 0.00 O ATOM 355 CB LYS A 39 5.845 10.667 7.193 1.00 0.00 C ATOM 356 CG LYS A 39 6.303 12.114 7.272 1.00 0.00 C ATOM 357 CD LYS A 39 7.711 12.225 7.837 1.00 0.00 C ATOM 358 CE LYS A 39 7.699 12.756 9.261 1.00 0.00 C ATOM 359 NZ LYS A 39 7.660 11.657 10.265 1.00 0.00 N ATOM 0 H LYS A 39 3.711 10.156 8.339 1.00 0.00 H new ATOM 0 HA LYS A 39 4.342 11.370 5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.732 10.275 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.620 10.075 6.706 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.273 12.561 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.613 12.681 7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.191 11.246 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.306 12.885 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.586 13.368 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.834 13.404 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.653 12.062 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.801 11.088 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.499 11.053 10.151 1.00 0.00 H new ATOM 373 N VAL A 40 5.070 9.500 4.282 1.00 0.00 N ATOM 374 CA VAL A 40 5.207 8.419 3.314 1.00 0.00 C ATOM 375 C VAL A 40 5.923 7.228 3.940 1.00 0.00 C ATOM 376 O VAL A 40 5.544 6.079 3.724 1.00 0.00 O ATOM 377 CB VAL A 40 5.980 8.873 2.058 1.00 0.00 C ATOM 378 CG1 VAL A 40 6.040 7.752 1.029 1.00 0.00 C ATOM 379 CG2 VAL A 40 5.345 10.120 1.460 1.00 0.00 C ATOM 0 H VAL A 40 5.344 10.419 3.934 1.00 0.00 H new ATOM 0 HA VAL A 40 4.201 8.127 3.014 1.00 0.00 H new ATOM 0 HB VAL A 40 7.000 9.118 2.354 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.589 8.093 0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.546 6.888 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.028 7.471 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.904 10.425 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.313 9.905 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.362 10.925 2.195 1.00 0.00 H new ATOM 389 N PHE A 41 6.952 7.518 4.732 1.00 0.00 N ATOM 390 CA PHE A 41 7.721 6.477 5.406 1.00 0.00 C ATOM 391 C PHE A 41 6.800 5.516 6.148 1.00 0.00 C ATOM 392 O PHE A 41 6.987 4.299 6.104 1.00 0.00 O ATOM 393 CB PHE A 41 8.719 7.103 6.383 1.00 0.00 C ATOM 394 CG PHE A 41 9.682 6.114 6.972 1.00 0.00 C ATOM 395 CD1 PHE A 41 9.258 5.197 7.921 1.00 0.00 C ATOM 396 CD2 PHE A 41 11.009 6.101 6.577 1.00 0.00 C ATOM 397 CE1 PHE A 41 10.142 4.285 8.465 1.00 0.00 C ATOM 398 CE2 PHE A 41 11.898 5.191 7.117 1.00 0.00 C ATOM 399 CZ PHE A 41 11.463 4.281 8.063 1.00 0.00 C ATOM 0 H PHE A 41 7.273 8.467 4.923 1.00 0.00 H new ATOM 0 HA PHE A 41 8.268 5.916 4.649 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.281 7.882 5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.170 7.588 7.190 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.226 5.195 8.239 1.00 0.00 H new ATOM 0 HD2 PHE A 41 11.353 6.810 5.839 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.800 3.576 9.204 1.00 0.00 H new ATOM 0 HE2 PHE A 41 12.931 5.191 6.801 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.155 3.568 8.487 1.00 0.00 H new ATOM 409 N SER A 42 5.797 6.070 6.819 1.00 0.00 N ATOM 410 CA SER A 42 4.841 5.260 7.561 1.00 0.00 C ATOM 411 C SER A 42 3.915 4.526 6.599 1.00 0.00 C ATOM 412 O SER A 42 3.433 3.432 6.898 1.00 0.00 O ATOM 413 CB SER A 42 4.025 6.133 8.514 1.00 0.00 C ATOM 414 OG SER A 42 4.594 6.140 9.812 1.00 0.00 O ATOM 0 H SER A 42 5.626 7.074 6.864 1.00 0.00 H new ATOM 0 HA SER A 42 5.392 4.526 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.978 7.152 8.129 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.001 5.763 8.564 1.00 0.00 H new ATOM 0 HG SER A 42 4.055 6.707 10.402 1.00 0.00 H new ATOM 420 N LEU A 43 3.679 5.130 5.438 1.00 0.00 N ATOM 421 CA LEU A 43 2.817 4.528 4.430 1.00 0.00 C ATOM 422 C LEU A 43 3.500 3.324 3.793 1.00 0.00 C ATOM 423 O LEU A 43 2.864 2.302 3.534 1.00 0.00 O ATOM 424 CB LEU A 43 2.457 5.554 3.354 1.00 0.00 C ATOM 425 CG LEU A 43 1.157 5.271 2.597 1.00 0.00 C ATOM 426 CD1 LEU A 43 1.260 3.958 1.837 1.00 0.00 C ATOM 427 CD2 LEU A 43 -0.022 5.244 3.557 1.00 0.00 C ATOM 0 H LEU A 43 4.072 6.033 5.174 1.00 0.00 H new ATOM 0 HA LEU A 43 1.902 4.194 4.918 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.381 6.536 3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.274 5.605 2.635 1.00 0.00 H new ATOM 0 HG LEU A 43 0.994 6.072 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.327 3.772 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.081 4.015 1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.445 3.145 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.938 5.042 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.132 4.462 4.301 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.106 6.209 4.057 1.00 0.00 H new ATOM 439 N ILE A 44 4.802 3.449 3.548 1.00 0.00 N ATOM 440 CA ILE A 44 5.567 2.365 2.950 1.00 0.00 C ATOM 441 C ILE A 44 5.629 1.167 3.887 1.00 0.00 C ATOM 442 O ILE A 44 5.368 0.035 3.482 1.00 0.00 O ATOM 443 CB ILE A 44 7.001 2.806 2.601 1.00 0.00 C ATOM 444 CG1 ILE A 44 6.970 4.120 1.819 1.00 0.00 C ATOM 445 CG2 ILE A 44 7.707 1.714 1.809 1.00 0.00 C ATOM 446 CD1 ILE A 44 8.264 4.439 1.096 1.00 0.00 C ATOM 0 H ILE A 44 5.345 4.287 3.754 1.00 0.00 H new ATOM 0 HA ILE A 44 5.054 2.084 2.030 1.00 0.00 H new ATOM 0 HB ILE A 44 7.559 2.971 3.523 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.160 4.078 1.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.740 4.934 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.720 2.037 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.749 0.802 2.404 1.00 0.00 H new ATOM 0 HG23 ILE A 44 7.158 1.521 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.161 5.386 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.076 4.515 1.819 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.487 3.646 0.382 1.00 0.00 H new ATOM 458 N GLN A 45 5.971 1.426 5.145 1.00 0.00 N ATOM 459 CA GLN A 45 6.063 0.368 6.143 1.00 0.00 C ATOM 460 C GLN A 45 4.714 -0.322 6.324 1.00 0.00 C ATOM 461 O GLN A 45 4.649 -1.531 6.546 1.00 0.00 O ATOM 462 CB GLN A 45 6.541 0.938 7.479 1.00 0.00 C ATOM 463 CG GLN A 45 7.147 -0.106 8.404 1.00 0.00 C ATOM 464 CD GLN A 45 6.982 0.247 9.868 1.00 0.00 C ATOM 465 OE1 GLN A 45 6.043 -0.200 10.525 1.00 0.00 O ATOM 466 NE2 GLN A 45 7.900 1.054 10.390 1.00 0.00 N ATOM 0 H GLN A 45 6.189 2.358 5.497 1.00 0.00 H new ATOM 0 HA GLN A 45 6.786 -0.369 5.793 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.280 1.716 7.289 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.700 1.414 7.983 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.679 -1.072 8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.208 -0.215 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.663 1.402 9.809 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.842 1.325 11.372 1.00 0.00 H new ATOM 475 N GLN A 46 3.639 0.455 6.226 1.00 0.00 N ATOM 476 CA GLN A 46 2.292 -0.084 6.378 1.00 0.00 C ATOM 477 C GLN A 46 1.933 -0.990 5.204 1.00 0.00 C ATOM 478 O GLN A 46 1.356 -2.062 5.390 1.00 0.00 O ATOM 479 CB GLN A 46 1.277 1.055 6.492 1.00 0.00 C ATOM 480 CG GLN A 46 0.857 1.356 7.921 1.00 0.00 C ATOM 481 CD GLN A 46 -0.116 0.332 8.471 1.00 0.00 C ATOM 482 OE1 GLN A 46 -1.169 0.082 7.883 1.00 0.00 O ATOM 483 NE2 GLN A 46 0.231 -0.265 9.605 1.00 0.00 N ATOM 0 H GLN A 46 3.675 1.458 6.042 1.00 0.00 H new ATOM 0 HA GLN A 46 2.264 -0.678 7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.703 1.956 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.392 0.802 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.742 1.389 8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.399 2.344 7.961 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.113 -0.027 10.058 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.385 -0.962 10.024 1.00 0.00 H new ATOM 492 N ALA A 47 2.277 -0.552 3.998 1.00 0.00 N ATOM 493 CA ALA A 47 1.988 -1.324 2.795 1.00 0.00 C ATOM 494 C ALA A 47 2.876 -2.561 2.706 1.00 0.00 C ATOM 495 O ALA A 47 2.406 -3.649 2.380 1.00 0.00 O ATOM 496 CB ALA A 47 2.162 -0.455 1.558 1.00 0.00 C ATOM 0 H ALA A 47 2.756 0.332 3.827 1.00 0.00 H new ATOM 0 HA ALA A 47 0.952 -1.659 2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.943 -1.043 0.667 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.479 0.393 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.189 -0.092 1.510 1.00 0.00 H new ATOM 502 N VAL A 48 4.160 -2.386 3.002 1.00 0.00 N ATOM 503 CA VAL A 48 5.111 -3.492 2.958 1.00 0.00 C ATOM 504 C VAL A 48 4.653 -4.636 3.858 1.00 0.00 C ATOM 505 O VAL A 48 4.630 -5.794 3.444 1.00 0.00 O ATOM 506 CB VAL A 48 6.521 -3.037 3.384 1.00 0.00 C ATOM 507 CG1 VAL A 48 7.496 -4.207 3.364 1.00 0.00 C ATOM 508 CG2 VAL A 48 7.011 -1.914 2.483 1.00 0.00 C ATOM 0 H VAL A 48 4.566 -1.491 3.274 1.00 0.00 H new ATOM 0 HA VAL A 48 5.154 -3.841 1.926 1.00 0.00 H new ATOM 0 HB VAL A 48 6.466 -2.661 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.484 -3.862 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.153 -4.978 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.550 -4.619 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.008 -1.604 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.048 -2.265 1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.329 -1.067 2.554 1.00 0.00 H new ATOM 518 N THR A 49 4.281 -4.300 5.088 1.00 0.00 N ATOM 519 CA THR A 49 3.815 -5.298 6.042 1.00 0.00 C ATOM 520 C THR A 49 2.561 -5.989 5.515 1.00 0.00 C ATOM 521 O THR A 49 2.471 -7.218 5.504 1.00 0.00 O ATOM 522 CB THR A 49 3.526 -4.647 7.395 1.00 0.00 C ATOM 523 OG1 THR A 49 4.680 -3.995 7.893 1.00 0.00 O ATOM 524 CG2 THR A 49 3.065 -5.632 8.448 1.00 0.00 C ATOM 0 H THR A 49 4.293 -3.345 5.447 1.00 0.00 H new ATOM 0 HA THR A 49 4.599 -6.044 6.173 1.00 0.00 H new ATOM 0 HB THR A 49 2.720 -3.937 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.753 -3.105 7.488 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.878 -5.104 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.148 -6.117 8.115 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.837 -6.385 8.605 1.00 0.00 H new ATOM 532 N ARG A 50 1.596 -5.187 5.074 1.00 0.00 N ATOM 533 CA ARG A 50 0.348 -5.716 4.539 1.00 0.00 C ATOM 534 C ARG A 50 0.612 -6.550 3.290 1.00 0.00 C ATOM 535 O ARG A 50 -0.102 -7.513 3.011 1.00 0.00 O ATOM 536 CB ARG A 50 -0.619 -4.576 4.217 1.00 0.00 C ATOM 537 CG ARG A 50 -2.021 -4.796 4.757 1.00 0.00 C ATOM 538 CD ARG A 50 -2.182 -4.202 6.149 1.00 0.00 C ATOM 539 NE ARG A 50 -2.761 -2.863 6.109 1.00 0.00 N ATOM 540 CZ ARG A 50 -3.082 -2.160 7.194 1.00 0.00 C ATOM 541 NH1 ARG A 50 -2.881 -2.668 8.404 1.00 0.00 N ATOM 542 NH2 ARG A 50 -3.606 -0.949 7.068 1.00 0.00 N ATOM 0 H ARG A 50 1.655 -4.169 5.077 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.105 -6.357 5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.222 -3.648 4.628 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.671 -4.450 3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.747 -4.344 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.236 -5.864 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.817 -4.853 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.210 -4.162 6.641 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.930 -2.440 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.479 -3.600 8.506 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.128 -2.126 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.763 -0.555 6.140 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.852 -0.411 7.899 1.00 0.00 H new ATOM 556 N TYR A 51 1.644 -6.172 2.542 1.00 0.00 N ATOM 557 CA TYR A 51 2.004 -6.887 1.323 1.00 0.00 C ATOM 558 C TYR A 51 2.394 -8.328 1.645 1.00 0.00 C ATOM 559 O TYR A 51 1.795 -9.270 1.129 1.00 0.00 O ATOM 560 CB TYR A 51 3.157 -6.168 0.610 1.00 0.00 C ATOM 561 CG TYR A 51 3.824 -6.991 -0.470 1.00 0.00 C ATOM 562 CD1 TYR A 51 3.131 -7.364 -1.615 1.00 0.00 C ATOM 563 CD2 TYR A 51 5.148 -7.394 -0.344 1.00 0.00 C ATOM 564 CE1 TYR A 51 3.738 -8.118 -2.602 1.00 0.00 C ATOM 565 CE2 TYR A 51 5.762 -8.146 -1.328 1.00 0.00 C ATOM 566 CZ TYR A 51 5.053 -8.505 -2.454 1.00 0.00 C ATOM 567 OH TYR A 51 5.662 -9.255 -3.435 1.00 0.00 O ATOM 0 H TYR A 51 2.244 -5.376 2.758 1.00 0.00 H new ATOM 0 HA TYR A 51 1.139 -6.904 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.778 -5.246 0.168 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.906 -5.883 1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.102 -7.060 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.706 -7.115 0.537 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.185 -8.403 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.792 -8.451 -1.215 1.00 0.00 H new ATOM 0 HH TYR A 51 6.399 -9.769 -3.044 1.00 0.00 H new ATOM 577 N ARG A 52 3.397 -8.489 2.504 1.00 0.00 N ATOM 578 CA ARG A 52 3.863 -9.815 2.900 1.00 0.00 C ATOM 579 C ARG A 52 2.703 -10.675 3.391 1.00 0.00 C ATOM 580 O ARG A 52 2.585 -11.845 3.026 1.00 0.00 O ATOM 581 CB ARG A 52 4.925 -9.699 3.995 1.00 0.00 C ATOM 582 CG ARG A 52 5.972 -10.802 3.948 1.00 0.00 C ATOM 583 CD ARG A 52 6.914 -10.730 5.141 1.00 0.00 C ATOM 584 NE ARG A 52 7.762 -9.541 5.099 1.00 0.00 N ATOM 585 CZ ARG A 52 7.427 -8.366 5.631 1.00 0.00 C ATOM 586 NH1 ARG A 52 6.264 -8.215 6.254 1.00 0.00 N ATOM 587 NH2 ARG A 52 8.261 -7.339 5.542 1.00 0.00 N ATOM 0 H ARG A 52 3.903 -7.718 2.939 1.00 0.00 H new ATOM 0 HA ARG A 52 4.303 -10.294 2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.423 -8.733 3.906 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.435 -9.716 4.968 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.478 -11.773 3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.546 -10.721 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.332 -10.728 6.063 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.541 -11.622 5.162 1.00 0.00 H new ATOM 0 HE ARG A 52 8.667 -9.615 4.634 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.619 -9.002 6.328 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.016 -7.312 6.658 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.157 -7.449 5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.007 -6.439 5.948 1.00 0.00 H new ATOM 601 N LYS A 53 1.848 -10.085 4.222 1.00 0.00 N ATOM 602 CA LYS A 53 0.696 -10.797 4.762 1.00 0.00 C ATOM 603 C LYS A 53 -0.365 -11.020 3.688 1.00 0.00 C ATOM 604 O LYS A 53 -1.174 -11.944 3.785 1.00 0.00 O ATOM 605 CB LYS A 53 0.096 -10.022 5.937 1.00 0.00 C ATOM 606 CG LYS A 53 0.661 -10.433 7.287 1.00 0.00 C ATOM 607 CD LYS A 53 2.121 -10.033 7.427 1.00 0.00 C ATOM 608 CE LYS A 53 2.921 -11.093 8.167 1.00 0.00 C ATOM 609 NZ LYS A 53 3.618 -12.018 7.232 1.00 0.00 N ATOM 0 H LYS A 53 1.932 -9.118 4.535 1.00 0.00 H new ATOM 0 HA LYS A 53 1.037 -11.771 5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.273 -8.957 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.984 -10.168 5.944 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.078 -9.969 8.083 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.565 -11.512 7.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.552 -9.874 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.190 -9.085 7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.654 -10.609 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.255 -11.665 8.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.138 -12.735 7.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.919 -12.487 6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.285 -11.479 6.644 1.00 0.00 H new ATOM 623 N ALA A 54 -0.362 -10.169 2.666 1.00 0.00 N ATOM 624 CA ALA A 54 -1.328 -10.276 1.579 1.00 0.00 C ATOM 625 C ALA A 54 -0.869 -11.285 0.529 1.00 0.00 C ATOM 626 O ALA A 54 -1.689 -11.923 -0.130 1.00 0.00 O ATOM 627 CB ALA A 54 -1.557 -8.916 0.939 1.00 0.00 C ATOM 0 H ALA A 54 0.299 -9.398 2.569 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.269 -10.631 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.280 -9.012 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.940 -8.222 1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.615 -8.538 0.541 1.00 0.00 H new ATOM 633 N VAL A 55 0.444 -11.420 0.378 1.00 0.00 N ATOM 634 CA VAL A 55 1.010 -12.349 -0.592 1.00 0.00 C ATOM 635 C VAL A 55 1.536 -13.612 0.090 1.00 0.00 C ATOM 636 O VAL A 55 2.362 -14.333 -0.468 1.00 0.00 O ATOM 637 CB VAL A 55 2.145 -11.688 -1.402 1.00 0.00 C ATOM 638 CG1 VAL A 55 3.297 -11.285 -0.493 1.00 0.00 C ATOM 639 CG2 VAL A 55 2.628 -12.615 -2.509 1.00 0.00 C ATOM 0 H VAL A 55 1.136 -10.898 0.915 1.00 0.00 H new ATOM 0 HA VAL A 55 0.207 -12.627 -1.274 1.00 0.00 H new ATOM 0 HB VAL A 55 1.749 -10.784 -1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.084 -10.821 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.940 -10.575 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.693 -12.169 0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.428 -12.129 -3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.001 -13.541 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.801 -12.840 -3.182 1.00 0.00 H new ATOM 649 N ALA A 56 1.049 -13.877 1.300 1.00 0.00 N ATOM 650 CA ALA A 56 1.468 -15.055 2.055 1.00 0.00 C ATOM 651 C ALA A 56 2.987 -15.196 2.068 1.00 0.00 C ATOM 652 O ALA A 56 3.567 -15.846 1.199 1.00 0.00 O ATOM 653 CB ALA A 56 0.825 -16.307 1.478 1.00 0.00 C ATOM 0 H ALA A 56 0.364 -13.292 1.778 1.00 0.00 H new ATOM 0 HA ALA A 56 1.136 -14.929 3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.146 -17.178 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.260 -16.217 1.532 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.128 -16.425 0.438 1.00 0.00 H new ATOM 659 N LYS A 57 3.626 -14.584 3.060 1.00 0.00 N ATOM 660 CA LYS A 57 5.078 -14.643 3.184 1.00 0.00 C ATOM 661 C LYS A 57 5.509 -14.428 4.632 1.00 0.00 C ATOM 662 O LYS A 57 4.677 -14.378 5.538 1.00 0.00 O ATOM 663 CB LYS A 57 5.732 -13.592 2.286 1.00 0.00 C ATOM 664 CG LYS A 57 6.144 -14.127 0.924 1.00 0.00 C ATOM 665 CD LYS A 57 5.838 -13.129 -0.180 1.00 0.00 C ATOM 666 CE LYS A 57 6.728 -13.349 -1.393 1.00 0.00 C ATOM 667 NZ LYS A 57 6.610 -12.237 -2.378 1.00 0.00 N ATOM 0 H LYS A 57 3.162 -14.042 3.789 1.00 0.00 H new ATOM 0 HA LYS A 57 5.404 -15.634 2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.038 -12.763 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.611 -13.191 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.210 -14.352 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.621 -15.063 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.792 -13.219 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.977 -12.115 0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.765 -13.440 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.460 -14.290 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.830 -12.592 -3.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.640 -11.862 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.278 -11.480 -2.128 1.00 0.00 H new ATOM 681 N ASP A 58 6.814 -14.301 4.839 1.00 0.00 N ATOM 682 CA ASP A 58 7.360 -14.091 6.174 1.00 0.00 C ATOM 683 C ASP A 58 8.786 -13.549 6.095 1.00 0.00 C ATOM 684 O ASP A 58 9.336 -13.384 5.007 1.00 0.00 O ATOM 685 CB ASP A 58 7.334 -15.402 6.966 1.00 0.00 C ATOM 686 CG ASP A 58 6.333 -15.367 8.105 1.00 0.00 C ATOM 687 OD1 ASP A 58 5.413 -14.522 8.061 1.00 0.00 O ATOM 688 OD2 ASP A 58 6.469 -16.185 9.040 1.00 0.00 O ATOM 0 H ASP A 58 7.514 -14.340 4.099 1.00 0.00 H new ATOM 0 HA ASP A 58 6.742 -13.355 6.688 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.088 -16.225 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.328 -15.602 7.365 1.00 0.00 H new ATOM 693 N PRO A 59 9.406 -13.260 7.254 1.00 0.00 N ATOM 694 CA PRO A 59 10.774 -12.730 7.311 1.00 0.00 C ATOM 695 C PRO A 59 11.798 -13.651 6.647 1.00 0.00 C ATOM 696 O PRO A 59 12.932 -13.245 6.395 1.00 0.00 O ATOM 697 CB PRO A 59 11.058 -12.618 8.813 1.00 0.00 C ATOM 698 CG PRO A 59 9.716 -12.576 9.457 1.00 0.00 C ATOM 699 CD PRO A 59 8.822 -13.420 8.598 1.00 0.00 C ATOM 0 HA PRO A 59 10.855 -11.785 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.640 -13.468 9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.633 -11.720 9.040 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.759 -12.963 10.475 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.345 -11.553 9.520 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.823 -14.462 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.788 -13.077 8.632 1.00 0.00 H new ATOM 707 N ASN A 60 11.395 -14.892 6.369 1.00 0.00 N ATOM 708 CA ASN A 60 12.282 -15.872 5.738 1.00 0.00 C ATOM 709 C ASN A 60 13.090 -15.248 4.600 1.00 0.00 C ATOM 710 O ASN A 60 14.258 -15.583 4.402 1.00 0.00 O ATOM 711 CB ASN A 60 11.467 -17.057 5.212 1.00 0.00 C ATOM 712 CG ASN A 60 11.637 -18.299 6.063 1.00 0.00 C ATOM 713 OD1 ASN A 60 11.811 -19.402 5.545 1.00 0.00 O ATOM 714 ND2 ASN A 60 11.586 -18.126 7.379 1.00 0.00 N ATOM 0 H ASN A 60 10.459 -15.243 6.571 1.00 0.00 H new ATOM 0 HA ASN A 60 12.984 -16.222 6.495 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.412 -16.783 5.180 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.770 -17.277 4.188 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.693 -18.926 8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.440 -17.193 7.766 1.00 0.00 H new ATOM 721 N TYR A 61 12.465 -14.338 3.862 1.00 0.00 N ATOM 722 CA TYR A 61 13.133 -13.668 2.750 1.00 0.00 C ATOM 723 C TYR A 61 13.272 -12.172 3.026 1.00 0.00 C ATOM 724 O TYR A 61 12.478 -11.594 3.768 1.00 0.00 O ATOM 725 CB TYR A 61 12.370 -13.911 1.439 1.00 0.00 C ATOM 726 CG TYR A 61 11.188 -12.990 1.220 1.00 0.00 C ATOM 727 CD1 TYR A 61 10.111 -12.983 2.098 1.00 0.00 C ATOM 728 CD2 TYR A 61 11.150 -12.128 0.131 1.00 0.00 C ATOM 729 CE1 TYR A 61 9.032 -12.145 1.896 1.00 0.00 C ATOM 730 CE2 TYR A 61 10.074 -11.285 -0.077 1.00 0.00 C ATOM 731 CZ TYR A 61 9.019 -11.297 0.809 1.00 0.00 C ATOM 732 OH TYR A 61 7.945 -10.461 0.605 1.00 0.00 O ATOM 0 H TYR A 61 11.499 -14.047 4.012 1.00 0.00 H new ATOM 0 HA TYR A 61 14.134 -14.088 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 61 13.062 -13.798 0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.018 -14.943 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.118 -13.644 2.952 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.975 -12.116 -0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.202 -12.154 2.587 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.061 -10.621 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 61 7.940 -10.156 -0.326 1.00 0.00 H new ATOM 742 N TRP A 62 14.288 -11.550 2.431 1.00 0.00 N ATOM 743 CA TRP A 62 14.523 -10.124 2.628 1.00 0.00 C ATOM 744 C TRP A 62 13.647 -9.288 1.702 1.00 0.00 C ATOM 745 O TRP A 62 13.240 -9.746 0.630 1.00 0.00 O ATOM 746 CB TRP A 62 16.002 -9.784 2.400 1.00 0.00 C ATOM 747 CG TRP A 62 16.301 -9.288 1.014 1.00 0.00 C ATOM 748 CD1 TRP A 62 15.991 -9.911 -0.156 1.00 0.00 C ATOM 749 CD2 TRP A 62 16.950 -8.063 0.656 1.00 0.00 C ATOM 750 NE1 TRP A 62 16.424 -9.162 -1.222 1.00 0.00 N ATOM 751 CE2 TRP A 62 17.015 -8.022 -0.751 1.00 0.00 C ATOM 752 CE3 TRP A 62 17.489 -7.001 1.385 1.00 0.00 C ATOM 753 CZ2 TRP A 62 17.596 -6.962 -1.440 1.00 0.00 C ATOM 754 CZ3 TRP A 62 18.061 -5.948 0.699 1.00 0.00 C ATOM 755 CH2 TRP A 62 18.111 -5.934 -0.701 1.00 0.00 C ATOM 0 H TRP A 62 14.957 -12.009 1.813 1.00 0.00 H new ATOM 0 HA TRP A 62 14.259 -9.884 3.658 1.00 0.00 H new ATOM 0 HB2 TRP A 62 16.307 -9.026 3.121 1.00 0.00 H new ATOM 0 HB3 TRP A 62 16.604 -10.671 2.597 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.478 -10.858 -0.234 1.00 0.00 H new ATOM 0 HE1 TRP A 62 16.322 -9.415 -2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 62 17.459 -7.003 2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.638 -6.952 -2.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 18.478 -5.119 1.252 1.00 0.00 H new ATOM 0 HH2 TRP A 62 18.565 -5.095 -1.206 1.00 0.00 H new ATOM 766 N ILE A 63 13.380 -8.057 2.126 1.00 0.00 N ATOM 767 CA ILE A 63 12.570 -7.132 1.348 1.00 0.00 C ATOM 768 C ILE A 63 13.115 -5.711 1.471 1.00 0.00 C ATOM 769 O ILE A 63 13.034 -5.095 2.534 1.00 0.00 O ATOM 770 CB ILE A 63 11.099 -7.153 1.814 1.00 0.00 C ATOM 771 CG1 ILE A 63 10.521 -8.561 1.679 1.00 0.00 C ATOM 772 CG2 ILE A 63 10.262 -6.156 1.024 1.00 0.00 C ATOM 773 CD1 ILE A 63 9.171 -8.725 2.343 1.00 0.00 C ATOM 0 H ILE A 63 13.716 -7.677 3.011 1.00 0.00 H new ATOM 0 HA ILE A 63 12.615 -7.451 0.307 1.00 0.00 H new ATOM 0 HB ILE A 63 11.070 -6.861 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.429 -8.808 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.220 -9.276 2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.230 -6.191 1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.660 -5.152 1.169 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.296 -6.411 -0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.821 -9.748 2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.261 -8.510 3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.458 -8.035 1.892 1.00 0.00 H new ATOM 785 N GLN A 64 13.672 -5.197 0.379 1.00 0.00 N ATOM 786 CA GLN A 64 14.228 -3.847 0.368 1.00 0.00 C ATOM 787 C GLN A 64 13.316 -2.885 -0.385 1.00 0.00 C ATOM 788 O GLN A 64 13.237 -2.920 -1.613 1.00 0.00 O ATOM 789 CB GLN A 64 15.617 -3.851 -0.269 1.00 0.00 C ATOM 790 CG GLN A 64 16.603 -2.916 0.412 1.00 0.00 C ATOM 791 CD GLN A 64 17.151 -1.859 -0.528 1.00 0.00 C ATOM 792 OE1 GLN A 64 17.076 -1.998 -1.750 1.00 0.00 O ATOM 793 NE2 GLN A 64 17.708 -0.795 0.039 1.00 0.00 N ATOM 0 H GLN A 64 13.751 -5.693 -0.509 1.00 0.00 H new ATOM 0 HA GLN A 64 14.308 -3.508 1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.015 -4.865 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.527 -3.569 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.113 -2.428 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.429 -3.499 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.748 -0.721 1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.095 -0.052 -0.542 1.00 0.00 H new ATOM 802 N VAL A 65 12.624 -2.028 0.357 1.00 0.00 N ATOM 803 CA VAL A 65 11.715 -1.062 -0.246 1.00 0.00 C ATOM 804 C VAL A 65 12.461 0.172 -0.739 1.00 0.00 C ATOM 805 O VAL A 65 12.801 1.059 0.045 1.00 0.00 O ATOM 806 CB VAL A 65 10.619 -0.621 0.745 1.00 0.00 C ATOM 807 CG1 VAL A 65 9.511 0.125 0.018 1.00 0.00 C ATOM 808 CG2 VAL A 65 10.060 -1.822 1.495 1.00 0.00 C ATOM 0 H VAL A 65 12.675 -1.983 1.375 1.00 0.00 H new ATOM 0 HA VAL A 65 11.249 -1.563 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 65 11.065 0.056 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.747 0.428 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.925 1.009 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.066 -0.527 -0.734 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.288 -1.490 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.630 -2.527 0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 65 10.862 -2.310 2.050 1.00 0.00 H new ATOM 818 N HIS A 66 12.714 0.224 -2.043 1.00 0.00 N ATOM 819 CA HIS A 66 13.417 1.353 -2.640 1.00 0.00 C ATOM 820 C HIS A 66 12.640 2.647 -2.434 1.00 0.00 C ATOM 821 O HIS A 66 13.078 3.541 -1.711 1.00 0.00 O ATOM 822 CB HIS A 66 13.640 1.110 -4.135 1.00 0.00 C ATOM 823 CG HIS A 66 14.473 -0.100 -4.427 1.00 0.00 C ATOM 824 ND1 HIS A 66 14.143 -1.289 -4.985 1.00 0.00 N flip ATOM 825 CD2 HIS A 66 15.819 -0.175 -4.134 1.00 0.00 C flip ATOM 826 CE1 HIS A 66 15.284 -2.052 -5.021 1.00 0.00 C flip ATOM 827 NE2 HIS A 66 16.281 -1.359 -4.502 1.00 0.00 N flip ATOM 0 H HIS A 66 12.443 -0.502 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 66 14.384 1.449 -2.147 1.00 0.00 H new ATOM 0 HB2 HIS A 66 12.673 1.002 -4.625 1.00 0.00 H new ATOM 0 HB3 HIS A 66 14.122 1.986 -4.569 1.00 0.00 H new ATOM 0 HD2 HIS A 66 16.404 0.609 -3.676 1.00 0.00 H new ATOM 0 HE1 HIS A 66 15.355 -3.057 -5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 66 17.243 -1.682 -4.402 1.00 0.00 H new ATOM 836 N ARG A 67 11.482 2.737 -3.076 1.00 0.00 N ATOM 837 CA ARG A 67 10.633 3.919 -2.969 1.00 0.00 C ATOM 838 C ARG A 67 9.329 3.721 -3.737 1.00 0.00 C ATOM 839 O ARG A 67 9.094 2.658 -4.311 1.00 0.00 O ATOM 840 CB ARG A 67 11.370 5.151 -3.499 1.00 0.00 C ATOM 841 CG ARG A 67 12.043 4.925 -4.843 1.00 0.00 C ATOM 842 CD ARG A 67 12.227 6.231 -5.600 1.00 0.00 C ATOM 843 NE ARG A 67 13.592 6.740 -5.488 1.00 0.00 N ATOM 844 CZ ARG A 67 14.118 7.640 -6.314 1.00 0.00 C ATOM 845 NH1 ARG A 67 13.398 8.133 -7.314 1.00 0.00 N ATOM 846 NH2 ARG A 67 15.367 8.050 -6.141 1.00 0.00 N ATOM 0 H ARG A 67 11.108 2.004 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 67 10.395 4.073 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.663 5.976 -3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.123 5.455 -2.772 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.013 4.452 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.444 4.238 -5.440 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.982 6.079 -6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.530 6.975 -5.215 1.00 0.00 H new ATOM 0 HE ARG A 67 14.176 6.384 -4.731 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.436 7.822 -7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.806 8.823 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.925 7.675 -5.374 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.770 8.740 -6.775 1.00 0.00 H new ATOM 860 N LEU A 68 8.486 4.748 -3.742 1.00 0.00 N ATOM 861 CA LEU A 68 7.208 4.678 -4.443 1.00 0.00 C ATOM 862 C LEU A 68 7.101 5.778 -5.495 1.00 0.00 C ATOM 863 O LEU A 68 7.760 6.812 -5.393 1.00 0.00 O ATOM 864 CB LEU A 68 6.048 4.791 -3.448 1.00 0.00 C ATOM 865 CG LEU A 68 6.256 4.049 -2.127 1.00 0.00 C ATOM 866 CD1 LEU A 68 5.128 4.364 -1.156 1.00 0.00 C ATOM 867 CD2 LEU A 68 6.351 2.550 -2.368 1.00 0.00 C ATOM 0 H LEU A 68 8.663 5.635 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 68 7.152 3.713 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.876 5.845 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.143 4.411 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 68 7.194 4.386 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.292 3.828 -0.221 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.105 5.436 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.177 4.054 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.499 2.037 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.430 2.197 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.193 2.340 -3.028 1.00 0.00 H new ATOM 879 N GLU A 69 6.270 5.546 -6.507 1.00 0.00 N ATOM 880 CA GLU A 69 6.079 6.518 -7.578 1.00 0.00 C ATOM 881 C GLU A 69 4.636 6.511 -8.068 1.00 0.00 C ATOM 882 O GLU A 69 3.961 5.482 -8.028 1.00 0.00 O ATOM 883 CB GLU A 69 7.027 6.219 -8.740 1.00 0.00 C ATOM 884 CG GLU A 69 7.155 7.365 -9.730 1.00 0.00 C ATOM 885 CD GLU A 69 7.888 6.964 -10.995 1.00 0.00 C ATOM 886 OE1 GLU A 69 8.743 6.057 -10.925 1.00 0.00 O ATOM 887 OE2 GLU A 69 7.605 7.556 -12.059 1.00 0.00 O ATOM 0 H GLU A 69 5.719 4.694 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 69 6.303 7.508 -7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.014 5.982 -8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.675 5.332 -9.267 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.161 7.728 -9.990 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.682 8.193 -9.256 1.00 0.00 H new ATOM 894 N HIS A 70 4.166 7.666 -8.529 1.00 0.00 N ATOM 895 CA HIS A 70 2.801 7.790 -9.027 1.00 0.00 C ATOM 896 C HIS A 70 2.634 7.046 -10.348 1.00 0.00 C ATOM 897 O HIS A 70 1.637 6.354 -10.561 1.00 0.00 O ATOM 898 CB HIS A 70 2.433 9.265 -9.209 1.00 0.00 C ATOM 899 CG HIS A 70 1.952 9.920 -7.952 1.00 0.00 C ATOM 900 ND1 HIS A 70 0.696 9.703 -7.423 1.00 0.00 N ATOM 901 CD2 HIS A 70 2.563 10.793 -7.117 1.00 0.00 C ATOM 902 CE1 HIS A 70 0.557 10.413 -6.318 1.00 0.00 C ATOM 903 NE2 HIS A 70 1.676 11.083 -6.110 1.00 0.00 N ATOM 0 H HIS A 70 4.710 8.528 -8.568 1.00 0.00 H new ATOM 0 HA HIS A 70 2.131 7.344 -8.292 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.304 9.805 -9.581 1.00 0.00 H new ATOM 0 HB3 HIS A 70 1.658 9.347 -9.971 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.014 9.090 -7.823 1.00 0.00 H new ATOM 0 HD2 HIS A 70 3.563 11.188 -7.223 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.322 10.441 -5.691 1.00 0.00 H new ATOM 0 HE2 HIS A 70 1.853 11.714 -5.328 1.00 0.00 H new ATOM 912 N GLY A 71 3.615 7.195 -11.233 1.00 0.00 N ATOM 913 CA GLY A 71 3.556 6.530 -12.523 1.00 0.00 C ATOM 914 C GLY A 71 4.327 7.276 -13.595 1.00 0.00 C ATOM 915 O GLY A 71 5.245 6.728 -14.203 1.00 0.00 O ATOM 0 H GLY A 71 4.448 7.763 -11.081 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.957 5.521 -12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.515 6.431 -12.830 1.00 0.00 H new ATOM 919 N ASP A 72 3.950 8.529 -13.826 1.00 0.00 N ATOM 920 CA ASP A 72 4.611 9.350 -14.832 1.00 0.00 C ATOM 921 C ASP A 72 4.921 10.739 -14.282 1.00 0.00 C ATOM 922 O ASP A 72 4.196 11.698 -14.548 1.00 0.00 O ATOM 923 CB ASP A 72 3.736 9.466 -16.083 1.00 0.00 C ATOM 924 CG ASP A 72 4.161 8.504 -17.175 1.00 0.00 C ATOM 925 OD1 ASP A 72 4.768 7.463 -16.847 1.00 0.00 O ATOM 926 OD2 ASP A 72 3.888 8.792 -18.360 1.00 0.00 O ATOM 0 H ASP A 72 3.191 8.997 -13.331 1.00 0.00 H new ATOM 0 HA ASP A 72 5.551 8.867 -15.099 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.697 9.273 -15.816 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.783 10.487 -16.463 1.00 0.00 H new ATOM 931 N GLY A 73 6.003 10.839 -13.515 1.00 0.00 N ATOM 932 CA GLY A 73 6.388 12.114 -12.941 1.00 0.00 C ATOM 933 C GLY A 73 5.729 12.371 -11.602 1.00 0.00 C ATOM 934 O GLY A 73 4.840 13.215 -11.492 1.00 0.00 O ATOM 0 H GLY A 73 6.619 10.060 -13.282 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.471 12.142 -12.820 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.123 12.914 -13.632 1.00 0.00 H new ATOM 938 N GLY A 74 6.165 11.642 -10.580 1.00 0.00 N ATOM 939 CA GLY A 74 5.599 11.810 -9.255 1.00 0.00 C ATOM 940 C GLY A 74 6.225 10.879 -8.235 1.00 0.00 C ATOM 941 O GLY A 74 5.523 10.129 -7.556 1.00 0.00 O ATOM 0 H GLY A 74 6.900 10.938 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.736 12.842 -8.933 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.525 11.629 -9.296 1.00 0.00 H new ATOM 945 N ILE A 75 7.548 10.930 -8.124 1.00 0.00 N ATOM 946 CA ILE A 75 8.268 10.086 -7.178 1.00 0.00 C ATOM 947 C ILE A 75 7.795 10.331 -5.750 1.00 0.00 C ATOM 948 O ILE A 75 7.277 11.401 -5.431 1.00 0.00 O ATOM 949 CB ILE A 75 9.788 10.326 -7.249 1.00 0.00 C ATOM 950 CG1 ILE A 75 10.266 10.284 -8.703 1.00 0.00 C ATOM 951 CG2 ILE A 75 10.526 9.294 -6.408 1.00 0.00 C ATOM 952 CD1 ILE A 75 11.771 10.353 -8.853 1.00 0.00 C ATOM 0 H ILE A 75 8.143 11.547 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 75 8.058 9.054 -7.457 1.00 0.00 H new ATOM 0 HB ILE A 75 10.006 11.315 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.905 9.366 -9.168 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.817 11.115 -9.247 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.599 9.476 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.202 9.371 -5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.306 8.294 -6.783 1.00 0.00 H new ATOM 0 HD11 ILE A 75 12.033 10.318 -9.910 1.00 0.00 H new ATOM 0 HD12 ILE A 75 12.138 11.283 -8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.227 9.508 -8.338 1.00 0.00 H new ATOM 964 N LEU A 76 7.974 9.329 -4.895 1.00 0.00 N ATOM 965 CA LEU A 76 7.564 9.432 -3.500 1.00 0.00 C ATOM 966 C LEU A 76 8.643 8.887 -2.569 1.00 0.00 C ATOM 967 O LEU A 76 8.936 7.689 -2.575 1.00 0.00 O ATOM 968 CB LEU A 76 6.255 8.675 -3.275 1.00 0.00 C ATOM 969 CG LEU A 76 5.032 9.287 -3.962 1.00 0.00 C ATOM 970 CD1 LEU A 76 4.393 8.288 -4.916 1.00 0.00 C ATOM 971 CD2 LEU A 76 4.018 9.760 -2.929 1.00 0.00 C ATOM 0 H LEU A 76 8.400 8.437 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 76 7.413 10.487 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.378 7.651 -3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.063 8.621 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 76 5.363 10.149 -4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.526 8.744 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.116 7.999 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.079 7.404 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.156 10.192 -3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.695 8.914 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.476 10.513 -2.288 1.00 0.00 H new ATOM 983 N ASP A 77 9.224 9.774 -1.769 1.00 0.00 N ATOM 984 CA ASP A 77 10.266 9.390 -0.825 1.00 0.00 C ATOM 985 C ASP A 77 9.671 9.149 0.560 1.00 0.00 C ATOM 986 O ASP A 77 8.461 8.981 0.700 1.00 0.00 O ATOM 987 CB ASP A 77 11.345 10.473 -0.756 1.00 0.00 C ATOM 988 CG ASP A 77 12.741 9.894 -0.657 1.00 0.00 C ATOM 989 OD1 ASP A 77 12.939 8.742 -1.096 1.00 0.00 O ATOM 990 OD2 ASP A 77 13.638 10.593 -0.141 1.00 0.00 O ATOM 0 H ASP A 77 8.990 10.767 -1.756 1.00 0.00 H new ATOM 0 HA ASP A 77 10.722 8.463 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.279 11.104 -1.642 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.158 11.113 0.106 1.00 0.00 H new ATOM 995 N LEU A 78 10.525 9.133 1.579 1.00 0.00 N ATOM 996 CA LEU A 78 10.074 8.912 2.949 1.00 0.00 C ATOM 997 C LEU A 78 10.310 10.154 3.806 1.00 0.00 C ATOM 998 O LEU A 78 11.268 10.212 4.577 1.00 0.00 O ATOM 999 CB LEU A 78 10.797 7.707 3.562 1.00 0.00 C ATOM 1000 CG LEU A 78 11.293 6.660 2.561 1.00 0.00 C ATOM 1001 CD1 LEU A 78 12.767 6.874 2.250 1.00 0.00 C ATOM 1002 CD2 LEU A 78 11.058 5.255 3.096 1.00 0.00 C ATOM 0 H LEU A 78 11.531 9.270 1.482 1.00 0.00 H new ATOM 0 HA LEU A 78 9.004 8.707 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 78 11.650 8.070 4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.123 7.220 4.267 1.00 0.00 H new ATOM 0 HG LEU A 78 10.727 6.774 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 78 13.102 6.120 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 78 12.908 7.867 1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.349 6.789 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.417 4.525 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.596 5.129 4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.992 5.104 3.266 1.00 0.00 H new ATOM 1014 N ASP A 79 9.433 11.143 3.666 1.00 0.00 N ATOM 1015 CA ASP A 79 9.553 12.382 4.430 1.00 0.00 C ATOM 1016 C ASP A 79 8.323 13.268 4.248 1.00 0.00 C ATOM 1017 O ASP A 79 7.776 13.792 5.219 1.00 0.00 O ATOM 1018 CB ASP A 79 10.812 13.143 4.011 1.00 0.00 C ATOM 1019 CG ASP A 79 11.915 13.051 5.048 1.00 0.00 C ATOM 1020 OD1 ASP A 79 11.592 12.979 6.252 1.00 0.00 O ATOM 1021 OD2 ASP A 79 13.102 13.055 4.656 1.00 0.00 O ATOM 0 H ASP A 79 8.634 11.112 3.033 1.00 0.00 H new ATOM 0 HA ASP A 79 9.627 12.118 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.174 12.746 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.561 14.190 3.843 1.00 0.00 H new ATOM 1026 N ASP A 80 7.894 13.437 3.000 1.00 0.00 N ATOM 1027 CA ASP A 80 6.732 14.265 2.697 1.00 0.00 C ATOM 1028 C ASP A 80 5.443 13.592 3.159 1.00 0.00 C ATOM 1029 O ASP A 80 5.254 12.392 2.962 1.00 0.00 O ATOM 1030 CB ASP A 80 6.662 14.553 1.198 1.00 0.00 C ATOM 1031 CG ASP A 80 7.775 15.470 0.731 1.00 0.00 C ATOM 1032 OD1 ASP A 80 7.587 16.703 0.776 1.00 0.00 O ATOM 1033 OD2 ASP A 80 8.837 14.954 0.322 1.00 0.00 O ATOM 0 H ASP A 80 8.334 13.012 2.184 1.00 0.00 H new ATOM 0 HA ASP A 80 6.840 15.206 3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.715 13.613 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.699 15.007 0.963 1.00 0.00 H new ATOM 1038 N ILE A 81 4.559 14.371 3.774 1.00 0.00 N ATOM 1039 CA ILE A 81 3.290 13.854 4.266 1.00 0.00 C ATOM 1040 C ILE A 81 2.482 13.200 3.148 1.00 0.00 C ATOM 1041 O ILE A 81 2.687 13.483 1.967 1.00 0.00 O ATOM 1042 CB ILE A 81 2.462 14.977 4.922 1.00 0.00 C ATOM 1043 CG1 ILE A 81 3.128 15.397 6.226 1.00 0.00 C ATOM 1044 CG2 ILE A 81 1.026 14.531 5.173 1.00 0.00 C ATOM 1045 CD1 ILE A 81 3.100 14.314 7.280 1.00 0.00 C ATOM 0 H ILE A 81 4.701 15.367 3.943 1.00 0.00 H new ATOM 0 HA ILE A 81 3.516 13.094 5.014 1.00 0.00 H new ATOM 0 HB ILE A 81 2.425 15.828 4.242 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.163 15.675 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.629 16.285 6.613 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.468 15.345 5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.558 14.263 4.226 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.024 13.666 5.836 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.590 14.674 8.185 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.066 14.053 7.506 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.624 13.433 6.910 1.00 0.00 H new ATOM 1057 N LEU A 82 1.565 12.319 3.536 1.00 0.00 N ATOM 1058 CA LEU A 82 0.727 11.616 2.577 1.00 0.00 C ATOM 1059 C LEU A 82 -0.131 12.592 1.779 1.00 0.00 C ATOM 1060 O LEU A 82 -0.068 12.629 0.553 1.00 0.00 O ATOM 1061 CB LEU A 82 -0.166 10.600 3.292 1.00 0.00 C ATOM 1062 CG LEU A 82 -0.343 9.269 2.560 1.00 0.00 C ATOM 1063 CD1 LEU A 82 0.933 8.443 2.636 1.00 0.00 C ATOM 1064 CD2 LEU A 82 -1.518 8.495 3.139 1.00 0.00 C ATOM 0 H LEU A 82 1.385 12.076 4.510 1.00 0.00 H new ATOM 0 HA LEU A 82 1.382 11.088 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.252 10.402 4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.148 11.047 3.446 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.553 9.478 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.788 7.500 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.751 8.994 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.175 8.243 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.629 7.551 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.338 8.297 4.196 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.430 9.083 3.030 1.00 0.00 H new ATOM 1076 N CYS A 83 -0.934 13.382 2.482 1.00 0.00 N ATOM 1077 CA CYS A 83 -1.806 14.357 1.836 1.00 0.00 C ATOM 1078 C CYS A 83 -1.006 15.340 0.981 1.00 0.00 C ATOM 1079 O CYS A 83 -1.561 16.000 0.102 1.00 0.00 O ATOM 1080 CB CYS A 83 -2.614 15.121 2.887 1.00 0.00 C ATOM 1081 SG CYS A 83 -4.192 15.764 2.281 1.00 0.00 S ATOM 0 H CYS A 83 -1.000 13.367 3.500 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.487 13.813 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -2.804 14.462 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -2.014 15.952 3.258 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.802 16.392 3.242 1.00 0.00 H new ATOM 1087 N ASP A 84 0.293 15.441 1.247 1.00 0.00 N ATOM 1088 CA ASP A 84 1.156 16.354 0.503 1.00 0.00 C ATOM 1089 C ASP A 84 1.571 15.763 -0.843 1.00 0.00 C ATOM 1090 O ASP A 84 1.621 16.473 -1.848 1.00 0.00 O ATOM 1091 CB ASP A 84 2.399 16.695 1.328 1.00 0.00 C ATOM 1092 CG ASP A 84 2.740 18.171 1.276 1.00 0.00 C ATOM 1093 OD1 ASP A 84 2.901 18.704 0.158 1.00 0.00 O ATOM 1094 OD2 ASP A 84 2.846 18.795 2.353 1.00 0.00 O ATOM 0 H ASP A 84 0.771 14.903 1.970 1.00 0.00 H new ATOM 0 HA ASP A 84 0.588 17.264 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.236 16.399 2.364 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.246 16.116 0.960 1.00 0.00 H new ATOM 1099 N VAL A 85 1.881 14.471 -0.858 1.00 0.00 N ATOM 1100 CA VAL A 85 2.305 13.807 -2.089 1.00 0.00 C ATOM 1101 C VAL A 85 1.216 12.899 -2.653 1.00 0.00 C ATOM 1102 O VAL A 85 0.921 12.937 -3.847 1.00 0.00 O ATOM 1103 CB VAL A 85 3.588 12.981 -1.871 1.00 0.00 C ATOM 1104 CG1 VAL A 85 4.741 13.886 -1.464 1.00 0.00 C ATOM 1105 CG2 VAL A 85 3.362 11.895 -0.830 1.00 0.00 C ATOM 0 H VAL A 85 1.848 13.865 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 85 2.506 14.600 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 85 3.847 12.497 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.639 13.286 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.922 14.620 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.490 14.401 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.281 11.325 -0.693 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.074 12.353 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.568 11.228 -1.167 1.00 0.00 H new ATOM 1115 N ALA A 86 0.624 12.084 -1.791 1.00 0.00 N ATOM 1116 CA ALA A 86 -0.429 11.165 -2.205 1.00 0.00 C ATOM 1117 C ALA A 86 -1.726 11.909 -2.505 1.00 0.00 C ATOM 1118 O ALA A 86 -1.826 13.116 -2.285 1.00 0.00 O ATOM 1119 CB ALA A 86 -0.659 10.112 -1.132 1.00 0.00 C ATOM 0 H ALA A 86 0.855 12.040 -0.799 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.106 10.672 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.448 9.432 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.261 9.550 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.955 10.598 -0.203 1.00 0.00 H new ATOM 1125 N ASP A 87 -2.717 11.178 -3.007 1.00 0.00 N ATOM 1126 CA ASP A 87 -4.011 11.765 -3.335 1.00 0.00 C ATOM 1127 C ASP A 87 -5.141 10.782 -3.048 1.00 0.00 C ATOM 1128 O ASP A 87 -4.975 9.571 -3.195 1.00 0.00 O ATOM 1129 CB ASP A 87 -4.045 12.184 -4.806 1.00 0.00 C ATOM 1130 CG ASP A 87 -5.074 13.263 -5.077 1.00 0.00 C ATOM 1131 OD1 ASP A 87 -4.769 14.450 -4.832 1.00 0.00 O ATOM 1132 OD2 ASP A 87 -6.185 12.923 -5.536 1.00 0.00 O ATOM 0 H ASP A 87 -2.648 10.178 -3.195 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.153 12.647 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -3.059 12.544 -5.101 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.265 11.313 -5.424 1.00 0.00 H new ATOM 1137 N ASP A 88 -6.290 11.309 -2.637 1.00 0.00 N ATOM 1138 CA ASP A 88 -7.448 10.476 -2.328 1.00 0.00 C ATOM 1139 C ASP A 88 -7.833 9.609 -3.523 1.00 0.00 C ATOM 1140 O ASP A 88 -8.080 10.115 -4.618 1.00 0.00 O ATOM 1141 CB ASP A 88 -8.634 11.350 -1.914 1.00 0.00 C ATOM 1142 CG ASP A 88 -8.710 11.547 -0.413 1.00 0.00 C ATOM 1143 OD1 ASP A 88 -7.648 11.740 0.215 1.00 0.00 O ATOM 1144 OD2 ASP A 88 -9.832 11.509 0.135 1.00 0.00 O ATOM 0 H ASP A 88 -6.445 12.309 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.180 9.820 -1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -8.554 12.322 -2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.559 10.893 -2.265 1.00 0.00 H new ATOM 1149 N LYS A 89 -7.878 8.298 -3.306 1.00 0.00 N ATOM 1150 CA LYS A 89 -8.229 7.357 -4.363 1.00 0.00 C ATOM 1151 C LYS A 89 -7.259 7.473 -5.534 1.00 0.00 C ATOM 1152 O LYS A 89 -7.660 7.747 -6.665 1.00 0.00 O ATOM 1153 CB LYS A 89 -9.662 7.607 -4.842 1.00 0.00 C ATOM 1154 CG LYS A 89 -10.303 6.395 -5.499 1.00 0.00 C ATOM 1155 CD LYS A 89 -10.655 5.327 -4.476 1.00 0.00 C ATOM 1156 CE LYS A 89 -12.148 5.298 -4.188 1.00 0.00 C ATOM 1157 NZ LYS A 89 -12.805 4.097 -4.774 1.00 0.00 N ATOM 0 H LYS A 89 -7.675 7.863 -2.406 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.162 6.348 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.272 7.915 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.660 8.436 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.204 6.702 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.621 5.979 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.336 4.352 -4.843 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.109 5.514 -3.551 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -12.310 5.310 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.613 6.198 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.821 4.116 -4.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.673 4.098 -5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.380 3.238 -4.371 1.00 0.00 H new ATOM 1171 N ASP A 90 -5.976 7.265 -5.255 1.00 0.00 N ATOM 1172 CA ASP A 90 -4.945 7.350 -6.284 1.00 0.00 C ATOM 1173 C ASP A 90 -4.231 6.013 -6.455 1.00 0.00 C ATOM 1174 O ASP A 90 -4.282 5.152 -5.577 1.00 0.00 O ATOM 1175 CB ASP A 90 -3.934 8.442 -5.933 1.00 0.00 C ATOM 1176 CG ASP A 90 -3.228 8.992 -7.157 1.00 0.00 C ATOM 1177 OD1 ASP A 90 -3.888 9.680 -7.964 1.00 0.00 O ATOM 1178 OD2 ASP A 90 -2.017 8.733 -7.310 1.00 0.00 O ATOM 0 H ASP A 90 -5.625 7.036 -4.325 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.430 7.603 -7.227 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.445 9.254 -5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.194 8.040 -5.241 1.00 0.00 H new ATOM 1183 N ARG A 91 -3.562 5.851 -7.593 1.00 0.00 N ATOM 1184 CA ARG A 91 -2.832 4.622 -7.884 1.00 0.00 C ATOM 1185 C ARG A 91 -1.332 4.890 -7.956 1.00 0.00 C ATOM 1186 O ARG A 91 -0.888 5.801 -8.655 1.00 0.00 O ATOM 1187 CB ARG A 91 -3.318 4.016 -9.202 1.00 0.00 C ATOM 1188 CG ARG A 91 -2.948 2.551 -9.370 1.00 0.00 C ATOM 1189 CD ARG A 91 -1.526 2.392 -9.884 1.00 0.00 C ATOM 1190 NE ARG A 91 -1.275 3.214 -11.065 1.00 0.00 N ATOM 1191 CZ ARG A 91 -1.747 2.934 -12.278 1.00 0.00 C ATOM 1192 NH1 ARG A 91 -2.493 1.854 -12.473 1.00 0.00 N ATOM 1193 NH2 ARG A 91 -1.472 3.736 -13.297 1.00 0.00 N ATOM 0 H ARG A 91 -3.511 6.556 -8.329 1.00 0.00 H new ATOM 0 HA ARG A 91 -3.020 3.914 -7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.402 4.118 -9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -2.898 4.586 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.050 2.037 -8.414 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.642 2.076 -10.064 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.823 2.665 -9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.343 1.345 -10.126 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.704 4.052 -10.954 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.707 1.234 -11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.852 1.644 -13.404 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.899 4.567 -13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.833 3.522 -14.226 1.00 0.00 H new ATOM 1207 N LEU A 92 -0.558 4.097 -7.225 1.00 0.00 N ATOM 1208 CA LEU A 92 0.892 4.252 -7.202 1.00 0.00 C ATOM 1209 C LEU A 92 1.594 2.908 -7.364 1.00 0.00 C ATOM 1210 O LEU A 92 1.001 1.854 -7.134 1.00 0.00 O ATOM 1211 CB LEU A 92 1.334 4.912 -5.893 1.00 0.00 C ATOM 1212 CG LEU A 92 0.484 6.108 -5.449 1.00 0.00 C ATOM 1213 CD1 LEU A 92 -0.184 5.821 -4.113 1.00 0.00 C ATOM 1214 CD2 LEU A 92 1.336 7.366 -5.362 1.00 0.00 C ATOM 0 H LEU A 92 -0.910 3.339 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 92 1.173 4.889 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.319 4.162 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.368 5.241 -6.001 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.295 6.272 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.783 6.681 -3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.827 4.946 -4.208 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.579 5.630 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.716 8.204 -5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.137 7.214 -4.638 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.767 7.582 -6.340 1.00 0.00 H new ATOM 1226 N VAL A 93 2.863 2.955 -7.755 1.00 0.00 N ATOM 1227 CA VAL A 93 3.656 1.745 -7.941 1.00 0.00 C ATOM 1228 C VAL A 93 4.820 1.705 -6.956 1.00 0.00 C ATOM 1229 O VAL A 93 5.559 2.678 -6.814 1.00 0.00 O ATOM 1230 CB VAL A 93 4.208 1.648 -9.378 1.00 0.00 C ATOM 1231 CG1 VAL A 93 4.900 0.311 -9.594 1.00 0.00 C ATOM 1232 CG2 VAL A 93 3.093 1.851 -10.394 1.00 0.00 C ATOM 0 H VAL A 93 3.366 3.821 -7.950 1.00 0.00 H new ATOM 0 HA VAL A 93 2.995 0.897 -7.760 1.00 0.00 H new ATOM 0 HB VAL A 93 4.944 2.439 -9.519 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.283 0.260 -10.613 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.726 0.211 -8.890 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.187 -0.498 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.502 1.779 -11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.331 1.084 -10.256 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.647 2.835 -10.253 1.00 0.00 H new ATOM 1242 N ALA A 94 4.973 0.576 -6.271 1.00 0.00 N ATOM 1243 CA ALA A 94 6.042 0.417 -5.294 1.00 0.00 C ATOM 1244 C ALA A 94 7.170 -0.456 -5.835 1.00 0.00 C ATOM 1245 O ALA A 94 6.936 -1.566 -6.318 1.00 0.00 O ATOM 1246 CB ALA A 94 5.493 -0.170 -4.004 1.00 0.00 C ATOM 0 H ALA A 94 4.371 -0.241 -6.375 1.00 0.00 H new ATOM 0 HA ALA A 94 6.455 1.404 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.302 -0.284 -3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.733 0.496 -3.595 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.049 -1.144 -4.208 1.00 0.00 H new ATOM 1252 N VAL A 95 8.396 0.052 -5.740 1.00 0.00 N ATOM 1253 CA VAL A 95 9.570 -0.674 -6.207 1.00 0.00 C ATOM 1254 C VAL A 95 10.421 -1.138 -5.029 1.00 0.00 C ATOM 1255 O VAL A 95 10.872 -0.328 -4.218 1.00 0.00 O ATOM 1256 CB VAL A 95 10.434 0.192 -7.142 1.00 0.00 C ATOM 1257 CG1 VAL A 95 11.545 -0.638 -7.768 1.00 0.00 C ATOM 1258 CG2 VAL A 95 9.573 0.840 -8.217 1.00 0.00 C ATOM 0 H VAL A 95 8.601 0.968 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 95 9.211 -1.540 -6.763 1.00 0.00 H new ATOM 0 HB VAL A 95 10.894 0.983 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 95 12.144 -0.008 -8.425 1.00 0.00 H new ATOM 0 HG12 VAL A 95 12.179 -1.049 -6.982 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.109 -1.453 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.201 1.448 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.082 0.065 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 95 8.819 1.471 -7.747 1.00 0.00 H new ATOM 1268 N PHE A 96 10.627 -2.447 -4.932 1.00 0.00 N ATOM 1269 CA PHE A 96 11.413 -3.010 -3.844 1.00 0.00 C ATOM 1270 C PHE A 96 12.122 -4.289 -4.275 1.00 0.00 C ATOM 1271 O PHE A 96 11.958 -4.754 -5.404 1.00 0.00 O ATOM 1272 CB PHE A 96 10.512 -3.294 -2.639 1.00 0.00 C ATOM 1273 CG PHE A 96 9.443 -4.315 -2.903 1.00 0.00 C ATOM 1274 CD1 PHE A 96 8.517 -4.128 -3.917 1.00 0.00 C ATOM 1275 CD2 PHE A 96 9.357 -5.459 -2.128 1.00 0.00 C ATOM 1276 CE1 PHE A 96 7.530 -5.064 -4.154 1.00 0.00 C ATOM 1277 CE2 PHE A 96 8.371 -6.396 -2.358 1.00 0.00 C ATOM 1278 CZ PHE A 96 7.456 -6.201 -3.374 1.00 0.00 C ATOM 0 H PHE A 96 10.262 -3.134 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 96 12.173 -2.280 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 96 11.130 -3.636 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 96 10.041 -2.363 -2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.568 -3.240 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 96 10.071 -5.620 -1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.816 -4.907 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.315 -7.282 -1.743 1.00 0.00 H new ATOM 0 HZ PHE A 96 6.685 -6.935 -3.558 1.00 0.00 H new ATOM 1288 N ASP A 97 12.909 -4.854 -3.365 1.00 0.00 N ATOM 1289 CA ASP A 97 13.646 -6.081 -3.640 1.00 0.00 C ATOM 1290 C ASP A 97 13.081 -7.235 -2.822 1.00 0.00 C ATOM 1291 O ASP A 97 12.451 -7.020 -1.787 1.00 0.00 O ATOM 1292 CB ASP A 97 15.130 -5.890 -3.321 1.00 0.00 C ATOM 1293 CG ASP A 97 16.004 -5.974 -4.556 1.00 0.00 C ATOM 1294 OD1 ASP A 97 15.782 -6.886 -5.379 1.00 0.00 O ATOM 1295 OD2 ASP A 97 16.910 -5.127 -4.702 1.00 0.00 O ATOM 0 H ASP A 97 13.053 -4.479 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 97 13.540 -6.318 -4.699 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.274 -4.921 -2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.445 -6.649 -2.605 1.00 0.00 H new ATOM 1300 N GLU A 98 13.305 -8.458 -3.292 1.00 0.00 N ATOM 1301 CA GLU A 98 12.810 -9.643 -2.603 1.00 0.00 C ATOM 1302 C GLU A 98 13.687 -10.856 -2.902 1.00 0.00 C ATOM 1303 O GLU A 98 14.014 -11.125 -4.057 1.00 0.00 O ATOM 1304 CB GLU A 98 11.375 -9.941 -3.036 1.00 0.00 C ATOM 1305 CG GLU A 98 10.373 -8.873 -2.631 1.00 0.00 C ATOM 1306 CD GLU A 98 8.951 -9.250 -3.001 1.00 0.00 C ATOM 1307 OE1 GLU A 98 8.528 -8.935 -4.133 1.00 0.00 O ATOM 1308 OE2 GLU A 98 8.261 -9.861 -2.157 1.00 0.00 O ATOM 0 H GLU A 98 13.826 -8.654 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 98 12.838 -9.444 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.350 -10.056 -4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.067 -10.895 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.435 -8.709 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.634 -7.931 -3.113 1.00 0.00 H new ATOM 1315 N GLN A 99 14.054 -11.599 -1.860 1.00 0.00 N ATOM 1316 CA GLN A 99 14.879 -12.795 -2.039 1.00 0.00 C ATOM 1317 C GLN A 99 14.013 -14.051 -2.032 1.00 0.00 C ATOM 1318 O GLN A 99 14.056 -14.845 -1.092 1.00 0.00 O ATOM 1319 CB GLN A 99 15.956 -12.892 -0.952 1.00 0.00 C ATOM 1320 CG GLN A 99 16.728 -14.203 -0.966 1.00 0.00 C ATOM 1321 CD GLN A 99 18.108 -14.073 -0.353 1.00 0.00 C ATOM 1322 OE1 GLN A 99 18.852 -13.141 -0.662 1.00 0.00 O ATOM 1323 NE2 GLN A 99 18.458 -15.007 0.522 1.00 0.00 N ATOM 0 H GLN A 99 13.798 -11.399 -0.893 1.00 0.00 H new ATOM 0 HA GLN A 99 15.375 -12.715 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 99 16.658 -12.067 -1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.486 -12.769 0.024 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.162 -14.959 -0.422 1.00 0.00 H new ATOM 0 HG3 GLN A 99 16.822 -14.554 -1.994 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.810 -15.762 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 99 19.375 -14.970 0.968 1.00 0.00 H new ATOM 1332 N ASP A 100 13.226 -14.225 -3.088 1.00 0.00 N ATOM 1333 CA ASP A 100 12.349 -15.384 -3.207 1.00 0.00 C ATOM 1334 C ASP A 100 13.066 -16.539 -3.899 1.00 0.00 C ATOM 1335 O ASP A 100 13.863 -16.271 -4.823 1.00 0.00 O ATOM 1336 CB ASP A 100 11.083 -15.017 -3.983 1.00 0.00 C ATOM 1337 CG ASP A 100 11.381 -14.565 -5.398 1.00 0.00 C ATOM 1338 OD1 ASP A 100 12.476 -14.009 -5.625 1.00 0.00 O ATOM 1339 OD2 ASP A 100 10.521 -14.767 -6.281 1.00 0.00 O ATOM 1340 OXT ASP A 100 12.824 -17.702 -3.513 1.00 0.00 O ATOM 0 H ASP A 100 13.177 -13.578 -3.875 1.00 0.00 H new ATOM 0 HA ASP A 100 12.070 -15.701 -2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 100 10.416 -15.879 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 100 10.554 -14.223 -3.455 1.00 0.00 H new TER 1345 ASP A 100