USER MOD reduce.3.24.130724 H: found=0, std=0, add=976, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 971 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 72 LYS NZ :NH3+ -115:sc= -0.0144 (180deg=-0.075) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.811 K(o=-0.83,f=-2.2!) USER MOD Set 2.1: A 65 CYS SG : rot 180:sc= -1.37 USER MOD Set 2.2: A 70 THR OG1 : rot -107:sc= -0.388 USER MOD Set 2.3: A 106 MET CE :methyl 132:sc= -0.0715 (180deg=-0.028) USER MOD Set 3.1: A 61 THR OG1 : rot 82:sc= 1.44 USER MOD Set 3.2: A 62 HIS : no HD1:sc= -4.25! C(o=-2.8!,f=-15!) USER MOD Set 4.1: A 57 THR OG1 : rot -16:sc= 0.788 USER MOD Set 4.2: A 60 SER OG : rot -80:sc= 1.58 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.4) USER MOD Single : A 31 SER OG : rot 140:sc= -0.473 USER MOD Single : A 34 GLN : amide:sc= -0.0451 K(o=-0.045,f=-1.3) USER MOD Single : A 35 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.95) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= 0.945 (180deg=-2.22!) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00379) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.057) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.0211 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0122) USER MOD Single : A 92 CYS SG : rot 91:sc= -0.442 USER MOD Single : A 93 HIS :FLIP no HD1:sc= -1.13 F(o=-1.6,f=-1.1) USER MOD Single : A 95 MET CE :methyl -152:sc= -0.18 (180deg=-0.628) USER MOD Single : A 101 SER OG : rot -42:sc= -0.277! USER MOD Single : A 102 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 80:sc= -0.782 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.101 USER MOD Single : A 124 SER OG : rot 15:sc= 0.836 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.962 32.542 -24.323 1.00 0.00 N ATOM 2 CA GLY A 1 16.990 33.291 -25.097 1.00 0.00 C ATOM 3 C GLY A 1 16.262 34.329 -24.266 1.00 0.00 C ATOM 4 O GLY A 1 16.723 35.463 -24.134 1.00 0.00 O ATOM 0 H1 GLY A 1 18.432 31.846 -24.936 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.672 33.194 -23.932 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.480 32.048 -23.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.494 33.784 -25.928 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.264 32.601 -25.528 1.00 0.00 H new ATOM 8 N SER A 2 15.121 33.942 -23.706 1.00 0.00 N ATOM 9 CA SER A 2 14.324 34.850 -22.888 1.00 0.00 C ATOM 10 C SER A 2 13.425 34.072 -21.932 1.00 0.00 C ATOM 11 O SER A 2 12.830 33.061 -22.306 1.00 0.00 O ATOM 12 CB SER A 2 13.476 35.761 -23.778 1.00 0.00 C ATOM 13 OG SER A 2 12.709 35.004 -24.698 1.00 0.00 O ATOM 0 H SER A 2 14.727 33.006 -23.803 1.00 0.00 H new ATOM 0 HA SER A 2 15.006 35.463 -22.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.814 36.366 -23.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.123 36.450 -24.320 1.00 0.00 H new ATOM 0 HG SER A 2 12.175 35.609 -25.254 1.00 0.00 H new ATOM 19 N SER A 3 13.330 34.552 -20.696 1.00 0.00 N ATOM 20 CA SER A 3 12.506 33.901 -19.685 1.00 0.00 C ATOM 21 C SER A 3 11.759 34.933 -18.846 1.00 0.00 C ATOM 22 O SER A 3 12.032 36.130 -18.926 1.00 0.00 O ATOM 23 CB SER A 3 13.371 33.021 -18.781 1.00 0.00 C ATOM 24 OG SER A 3 14.124 33.808 -17.873 1.00 0.00 O ATOM 0 H SER A 3 13.814 35.389 -20.371 1.00 0.00 H new ATOM 0 HA SER A 3 11.774 33.275 -20.196 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.737 32.328 -18.228 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.045 32.419 -19.391 1.00 0.00 H new ATOM 0 HG SER A 3 14.667 33.222 -17.305 1.00 0.00 H new ATOM 30 N GLY A 4 10.814 34.459 -18.039 1.00 0.00 N ATOM 31 CA GLY A 4 10.041 35.353 -17.196 1.00 0.00 C ATOM 32 C GLY A 4 9.115 34.607 -16.256 1.00 0.00 C ATOM 33 O GLY A 4 7.933 34.429 -16.550 1.00 0.00 O ATOM 0 H GLY A 4 10.570 33.472 -17.954 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.720 35.976 -16.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.454 36.023 -17.824 1.00 0.00 H new ATOM 37 N SER A 5 9.653 34.168 -15.123 1.00 0.00 N ATOM 38 CA SER A 5 8.868 33.432 -14.139 1.00 0.00 C ATOM 39 C SER A 5 9.612 33.337 -12.811 1.00 0.00 C ATOM 40 O SER A 5 10.705 32.775 -12.738 1.00 0.00 O ATOM 41 CB SER A 5 8.546 32.029 -14.658 1.00 0.00 C ATOM 42 OG SER A 5 8.091 31.190 -13.611 1.00 0.00 O ATOM 0 H SER A 5 10.629 34.309 -14.864 1.00 0.00 H new ATOM 0 HA SER A 5 7.936 33.974 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.784 32.091 -15.435 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.434 31.595 -15.116 1.00 0.00 H new ATOM 0 HG SER A 5 7.891 30.300 -13.969 1.00 0.00 H new ATOM 48 N SER A 6 9.012 33.891 -11.762 1.00 0.00 N ATOM 49 CA SER A 6 9.619 33.873 -10.436 1.00 0.00 C ATOM 50 C SER A 6 8.582 33.535 -9.369 1.00 0.00 C ATOM 51 O SER A 6 7.420 33.925 -9.471 1.00 0.00 O ATOM 52 CB SER A 6 10.261 35.226 -10.128 1.00 0.00 C ATOM 53 OG SER A 6 9.347 36.287 -10.346 1.00 0.00 O ATOM 0 H SER A 6 8.106 34.358 -11.805 1.00 0.00 H new ATOM 0 HA SER A 6 10.390 33.102 -10.426 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.602 35.243 -9.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.141 35.366 -10.756 1.00 0.00 H new ATOM 0 HG SER A 6 9.782 37.141 -10.140 1.00 0.00 H new ATOM 59 N GLY A 7 9.013 32.805 -8.345 1.00 0.00 N ATOM 60 CA GLY A 7 8.111 32.426 -7.273 1.00 0.00 C ATOM 61 C GLY A 7 8.281 30.977 -6.858 1.00 0.00 C ATOM 62 O GLY A 7 7.910 30.067 -7.597 1.00 0.00 O ATOM 0 H GLY A 7 9.970 32.469 -8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.285 33.070 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.082 32.591 -7.592 1.00 0.00 H new ATOM 66 N GLU A 8 8.843 30.765 -5.672 1.00 0.00 N ATOM 67 CA GLU A 8 9.063 29.416 -5.163 1.00 0.00 C ATOM 68 C GLU A 8 8.414 29.240 -3.793 1.00 0.00 C ATOM 69 O GLU A 8 8.342 30.169 -2.988 1.00 0.00 O ATOM 70 CB GLU A 8 10.561 29.119 -5.071 1.00 0.00 C ATOM 71 CG GLU A 8 11.210 28.842 -6.417 1.00 0.00 C ATOM 72 CD GLU A 8 11.088 27.389 -6.834 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.034 27.018 -7.392 1.00 0.00 O ATOM 74 OE2 GLU A 8 12.046 26.622 -6.602 1.00 0.00 O ATOM 0 H GLU A 8 9.154 31.509 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 8 8.603 28.713 -5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.063 29.966 -4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.713 28.258 -4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.749 29.474 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.264 29.116 -6.372 1.00 0.00 H new ATOM 81 N PRO A 9 7.929 28.020 -3.521 1.00 0.00 N ATOM 82 CA PRO A 9 7.278 27.692 -2.249 1.00 0.00 C ATOM 83 C PRO A 9 8.260 27.669 -1.083 1.00 0.00 C ATOM 84 O PRO A 9 8.747 26.608 -0.691 1.00 0.00 O ATOM 85 CB PRO A 9 6.705 26.294 -2.494 1.00 0.00 C ATOM 86 CG PRO A 9 7.568 25.712 -3.561 1.00 0.00 C ATOM 87 CD PRO A 9 7.980 26.865 -4.434 1.00 0.00 C ATOM 0 HA PRO A 9 6.528 28.433 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.735 25.690 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.663 26.343 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 9 8.439 25.217 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.025 24.961 -4.136 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.979 26.721 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.303 26.991 -5.279 1.00 0.00 H new ATOM 95 N ARG A 10 8.547 28.844 -0.534 1.00 0.00 N ATOM 96 CA ARG A 10 9.472 28.958 0.587 1.00 0.00 C ATOM 97 C ARG A 10 8.727 28.883 1.917 1.00 0.00 C ATOM 98 O ARG A 10 9.172 29.439 2.921 1.00 0.00 O ATOM 99 CB ARG A 10 10.253 30.271 0.501 1.00 0.00 C ATOM 100 CG ARG A 10 11.519 30.283 1.342 1.00 0.00 C ATOM 101 CD ARG A 10 11.966 31.703 1.654 1.00 0.00 C ATOM 102 NE ARG A 10 13.237 31.730 2.373 1.00 0.00 N ATOM 103 CZ ARG A 10 14.415 31.540 1.790 1.00 0.00 C ATOM 104 NH1 ARG A 10 14.484 31.311 0.486 1.00 0.00 N ATOM 105 NH2 ARG A 10 15.528 31.581 2.512 1.00 0.00 N ATOM 0 H ARG A 10 8.152 29.731 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 10 10.171 28.123 0.534 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.517 30.460 -0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.607 31.089 0.820 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.344 29.742 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.314 29.758 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.063 32.265 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.201 32.201 2.250 1.00 0.00 H new ATOM 0 HE ARG A 10 13.219 31.904 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.631 31.280 -0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.390 31.165 0.041 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.479 31.758 3.515 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.432 31.435 2.064 1.00 0.00 H new ATOM 119 N ARG A 11 7.591 28.193 1.915 1.00 0.00 N ATOM 120 CA ARG A 11 6.784 28.048 3.120 1.00 0.00 C ATOM 121 C ARG A 11 7.632 27.548 4.286 1.00 0.00 C ATOM 122 O ARG A 11 8.492 26.680 4.133 1.00 0.00 O ATOM 123 CB ARG A 11 5.624 27.082 2.869 1.00 0.00 C ATOM 124 CG ARG A 11 4.455 27.275 3.821 1.00 0.00 C ATOM 125 CD ARG A 11 3.245 26.462 3.388 1.00 0.00 C ATOM 126 NE ARG A 11 2.808 26.807 2.038 1.00 0.00 N ATOM 127 CZ ARG A 11 2.027 27.845 1.761 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.600 28.636 2.736 1.00 0.00 N ATOM 129 NH2 ARG A 11 1.672 28.094 0.507 1.00 0.00 N ATOM 0 H ARG A 11 7.209 27.726 1.093 1.00 0.00 H new ATOM 0 HA ARG A 11 6.383 29.028 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.272 27.208 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.989 26.059 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.752 26.980 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.189 28.331 3.863 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.488 25.400 3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.426 26.630 4.088 1.00 0.00 H new ATOM 0 HE ARG A 11 3.120 26.219 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 11 1.871 28.448 3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.000 29.433 2.521 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.999 27.488 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.072 28.891 0.296 1.00 0.00 H new ATOM 143 N PRO A 12 7.387 28.108 5.480 1.00 0.00 N ATOM 144 CA PRO A 12 8.118 27.735 6.695 1.00 0.00 C ATOM 145 C PRO A 12 7.768 26.330 7.173 1.00 0.00 C ATOM 146 O PRO A 12 8.653 25.512 7.424 1.00 0.00 O ATOM 147 CB PRO A 12 7.660 28.777 7.718 1.00 0.00 C ATOM 148 CG PRO A 12 6.321 29.219 7.237 1.00 0.00 C ATOM 149 CD PRO A 12 6.377 29.149 5.735 1.00 0.00 C ATOM 0 HA PRO A 12 9.196 27.720 6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.599 28.349 8.719 1.00 0.00 H new ATOM 0 HB3 PRO A 12 8.357 29.613 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.533 28.575 7.629 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.101 30.232 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.410 28.883 5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.666 30.105 5.299 1.00 0.00 H new ATOM 157 N ARG A 13 6.474 26.057 7.295 1.00 0.00 N ATOM 158 CA ARG A 13 6.008 24.750 7.744 1.00 0.00 C ATOM 159 C ARG A 13 5.630 23.870 6.556 1.00 0.00 C ATOM 160 O ARG A 13 4.882 24.289 5.673 1.00 0.00 O ATOM 161 CB ARG A 13 4.807 24.907 8.679 1.00 0.00 C ATOM 162 CG ARG A 13 4.491 23.654 9.480 1.00 0.00 C ATOM 163 CD ARG A 13 5.265 23.619 10.788 1.00 0.00 C ATOM 164 NE ARG A 13 5.021 24.809 11.600 1.00 0.00 N ATOM 165 CZ ARG A 13 5.785 25.167 12.626 1.00 0.00 C ATOM 166 NH1 ARG A 13 6.835 24.432 12.964 1.00 0.00 N ATOM 167 NH2 ARG A 13 5.498 26.263 13.317 1.00 0.00 N ATOM 0 H ARG A 13 5.729 26.723 7.089 1.00 0.00 H new ATOM 0 HA ARG A 13 6.822 24.268 8.286 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.999 25.730 9.368 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.932 25.182 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.422 23.614 9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.734 22.772 8.888 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.983 22.731 11.353 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.331 23.537 10.576 1.00 0.00 H new ATOM 0 HE ARG A 13 4.221 25.397 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.058 23.589 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.420 24.710 13.752 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.690 26.831 13.060 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.085 26.538 14.105 1.00 0.00 H new ATOM 181 N ALA A 14 6.153 22.648 6.542 1.00 0.00 N ATOM 182 CA ALA A 14 5.870 21.709 5.464 1.00 0.00 C ATOM 183 C ALA A 14 4.398 21.313 5.453 1.00 0.00 C ATOM 184 O ALA A 14 3.743 21.293 6.494 1.00 0.00 O ATOM 185 CB ALA A 14 6.750 20.474 5.595 1.00 0.00 C ATOM 0 H ALA A 14 6.775 22.286 7.265 1.00 0.00 H new ATOM 0 HA ALA A 14 6.093 22.202 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.528 19.781 4.783 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.799 20.767 5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.555 19.988 6.551 1.00 0.00 H new ATOM 191 N GLY A 15 3.882 21.000 4.268 1.00 0.00 N ATOM 192 CA GLY A 15 2.490 20.609 4.144 1.00 0.00 C ATOM 193 C GLY A 15 2.307 19.377 3.280 1.00 0.00 C ATOM 194 O GLY A 15 3.231 18.587 3.086 1.00 0.00 O ATOM 0 H GLY A 15 4.404 21.010 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.080 20.417 5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.921 21.435 3.718 1.00 0.00 H new ATOM 198 N PRO A 16 1.090 19.200 2.746 1.00 0.00 N ATOM 199 CA PRO A 16 0.760 18.056 1.890 1.00 0.00 C ATOM 200 C PRO A 16 1.453 18.128 0.534 1.00 0.00 C ATOM 201 O PRO A 16 1.252 17.267 -0.322 1.00 0.00 O ATOM 202 CB PRO A 16 -0.757 18.164 1.723 1.00 0.00 C ATOM 203 CG PRO A 16 -1.059 19.608 1.928 1.00 0.00 C ATOM 204 CD PRO A 16 -0.058 20.102 2.936 1.00 0.00 C ATOM 0 HA PRO A 16 1.088 17.112 2.326 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.071 17.830 0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.280 17.543 2.450 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.976 20.161 0.992 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.078 19.746 2.290 1.00 0.00 H new ATOM 0 HD2 PRO A 16 0.214 21.142 2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.449 20.046 3.952 1.00 0.00 H new ATOM 212 N GLU A 17 2.268 19.161 0.345 1.00 0.00 N ATOM 213 CA GLU A 17 2.989 19.345 -0.909 1.00 0.00 C ATOM 214 C GLU A 17 4.259 18.499 -0.936 1.00 0.00 C ATOM 215 O GLU A 17 4.475 17.715 -1.859 1.00 0.00 O ATOM 216 CB GLU A 17 3.342 20.821 -1.109 1.00 0.00 C ATOM 217 CG GLU A 17 3.966 21.120 -2.462 1.00 0.00 C ATOM 218 CD GLU A 17 4.548 22.518 -2.540 1.00 0.00 C ATOM 219 OE1 GLU A 17 5.670 22.722 -2.031 1.00 0.00 O ATOM 220 OE2 GLU A 17 3.881 23.407 -3.109 1.00 0.00 O ATOM 0 H GLU A 17 2.445 19.883 1.044 1.00 0.00 H new ATOM 0 HA GLU A 17 2.340 19.021 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.439 21.421 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.032 21.130 -0.324 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.751 20.392 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.212 21.000 -3.240 1.00 0.00 H new ATOM 227 N GLU A 18 5.095 18.665 0.085 1.00 0.00 N ATOM 228 CA GLU A 18 6.344 17.918 0.177 1.00 0.00 C ATOM 229 C GLU A 18 6.092 16.419 0.045 1.00 0.00 C ATOM 230 O GLU A 18 6.910 15.687 -0.514 1.00 0.00 O ATOM 231 CB GLU A 18 7.043 18.213 1.506 1.00 0.00 C ATOM 232 CG GLU A 18 7.846 19.504 1.497 1.00 0.00 C ATOM 233 CD GLU A 18 9.014 19.470 2.463 1.00 0.00 C ATOM 234 OE1 GLU A 18 8.933 18.731 3.466 1.00 0.00 O ATOM 235 OE2 GLU A 18 10.009 20.183 2.216 1.00 0.00 O ATOM 0 H GLU A 18 4.930 19.309 0.859 1.00 0.00 H new ATOM 0 HA GLU A 18 6.988 18.235 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.295 18.266 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.707 17.384 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.218 19.689 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.191 20.337 1.753 1.00 0.00 H new ATOM 242 N LEU A 19 4.955 15.968 0.564 1.00 0.00 N ATOM 243 CA LEU A 19 4.594 14.556 0.505 1.00 0.00 C ATOM 244 C LEU A 19 3.981 14.206 -0.848 1.00 0.00 C ATOM 245 O LEU A 19 4.123 13.085 -1.334 1.00 0.00 O ATOM 246 CB LEU A 19 3.611 14.213 1.626 1.00 0.00 C ATOM 247 CG LEU A 19 4.199 14.146 3.036 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.417 15.545 3.591 1.00 0.00 C ATOM 249 CD2 LEU A 19 3.290 13.342 3.955 1.00 0.00 C ATOM 0 H LEU A 19 4.267 16.560 1.030 1.00 0.00 H new ATOM 0 HA LEU A 19 5.503 13.969 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.813 14.955 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.153 13.250 1.399 1.00 0.00 H new ATOM 0 HG LEU A 19 5.165 13.644 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.836 15.477 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.107 16.089 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.464 16.073 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.724 13.305 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.310 13.816 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.185 12.329 3.567 1.00 0.00 H new ATOM 261 N GLY A 20 3.301 15.176 -1.452 1.00 0.00 N ATOM 262 CA GLY A 20 2.679 14.952 -2.744 1.00 0.00 C ATOM 263 C GLY A 20 3.690 14.620 -3.824 1.00 0.00 C ATOM 264 O GLY A 20 3.320 14.266 -4.944 1.00 0.00 O ATOM 0 H GLY A 20 3.170 16.113 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.960 14.137 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.121 15.842 -3.034 1.00 0.00 H new ATOM 268 N LYS A 21 4.970 14.737 -3.490 1.00 0.00 N ATOM 269 CA LYS A 21 6.039 14.448 -4.439 1.00 0.00 C ATOM 270 C LYS A 21 6.674 13.093 -4.147 1.00 0.00 C ATOM 271 O LYS A 21 7.659 12.709 -4.779 1.00 0.00 O ATOM 272 CB LYS A 21 7.105 15.545 -4.388 1.00 0.00 C ATOM 273 CG LYS A 21 6.577 16.923 -4.745 1.00 0.00 C ATOM 274 CD LYS A 21 6.367 17.069 -6.243 1.00 0.00 C ATOM 275 CE LYS A 21 6.158 18.523 -6.638 1.00 0.00 C ATOM 276 NZ LYS A 21 4.742 18.948 -6.461 1.00 0.00 N ATOM 0 H LYS A 21 5.293 15.030 -2.568 1.00 0.00 H new ATOM 0 HA LYS A 21 5.605 14.418 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.533 15.578 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.913 15.286 -5.072 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.635 17.098 -4.226 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.278 17.683 -4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.231 16.667 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.503 16.480 -6.549 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.806 19.160 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.452 18.662 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.641 19.945 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.125 18.357 -7.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.469 18.839 -5.463 1.00 0.00 H new ATOM 290 N ILE A 22 6.104 12.372 -3.187 1.00 0.00 N ATOM 291 CA ILE A 22 6.615 11.058 -2.814 1.00 0.00 C ATOM 292 C ILE A 22 5.939 9.956 -3.622 1.00 0.00 C ATOM 293 O ILE A 22 6.602 9.191 -4.325 1.00 0.00 O ATOM 294 CB ILE A 22 6.407 10.779 -1.313 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.153 11.816 -0.471 1.00 0.00 C ATOM 296 CG2 ILE A 22 6.873 9.373 -0.967 1.00 0.00 C ATOM 297 CD1 ILE A 22 7.285 11.431 0.985 1.00 0.00 C ATOM 0 H ILE A 22 5.289 12.675 -2.654 1.00 0.00 H new ATOM 0 HA ILE A 22 7.683 11.061 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 22 5.343 10.854 -1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.148 11.965 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.632 12.771 -0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.720 9.190 0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.301 8.647 -1.546 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.932 9.272 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.824 12.212 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.293 11.311 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.833 10.492 1.065 1.00 0.00 H new ATOM 309 N LEU A 23 4.617 9.881 -3.521 1.00 0.00 N ATOM 310 CA LEU A 23 3.850 8.873 -4.245 1.00 0.00 C ATOM 311 C LEU A 23 3.064 9.505 -5.390 1.00 0.00 C ATOM 312 O LEU A 23 1.896 9.185 -5.604 1.00 0.00 O ATOM 313 CB LEU A 23 2.894 8.151 -3.294 1.00 0.00 C ATOM 314 CG LEU A 23 3.543 7.213 -2.275 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.481 6.422 -1.526 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.522 6.273 -2.964 1.00 0.00 C ATOM 0 H LEU A 23 4.053 10.506 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 23 4.551 8.151 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.317 8.901 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.187 7.574 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 23 4.094 7.816 -1.554 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.961 5.760 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.818 7.110 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.902 5.829 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.974 5.613 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.992 5.677 -3.707 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.301 6.856 -3.455 1.00 0.00 H new ATOM 328 N GLN A 24 3.716 10.402 -6.123 1.00 0.00 N ATOM 329 CA GLN A 24 3.078 11.077 -7.247 1.00 0.00 C ATOM 330 C GLN A 24 2.852 10.111 -8.406 1.00 0.00 C ATOM 331 O GLN A 24 3.803 9.630 -9.020 1.00 0.00 O ATOM 332 CB GLN A 24 3.933 12.258 -7.712 1.00 0.00 C ATOM 333 CG GLN A 24 3.368 12.977 -8.926 1.00 0.00 C ATOM 334 CD GLN A 24 1.906 13.342 -8.761 1.00 0.00 C ATOM 335 OE1 GLN A 24 1.437 13.583 -7.648 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.177 13.385 -9.870 1.00 0.00 N ATOM 0 H GLN A 24 4.684 10.678 -5.959 1.00 0.00 H new ATOM 0 HA GLN A 24 2.109 11.448 -6.913 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.032 12.969 -6.892 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.936 11.900 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.946 13.883 -9.108 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.483 12.343 -9.805 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.607 13.178 -10.771 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.187 13.625 -9.820 1.00 0.00 H new ATOM 345 N GLY A 25 1.586 9.831 -8.698 1.00 0.00 N ATOM 346 CA GLY A 25 1.258 8.923 -9.781 1.00 0.00 C ATOM 347 C GLY A 25 1.038 7.502 -9.301 1.00 0.00 C ATOM 348 O GLY A 25 1.227 6.547 -10.055 1.00 0.00 O ATOM 0 H GLY A 25 0.781 10.217 -8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.359 9.275 -10.287 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.062 8.934 -10.516 1.00 0.00 H new ATOM 352 N VAL A 26 0.640 7.360 -8.040 1.00 0.00 N ATOM 353 CA VAL A 26 0.395 6.045 -7.460 1.00 0.00 C ATOM 354 C VAL A 26 -1.064 5.891 -7.045 1.00 0.00 C ATOM 355 O VAL A 26 -1.714 6.858 -6.648 1.00 0.00 O ATOM 356 CB VAL A 26 1.295 5.797 -6.234 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.064 4.401 -5.676 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.758 6.000 -6.598 1.00 0.00 C ATOM 0 H VAL A 26 0.481 8.139 -7.401 1.00 0.00 H new ATOM 0 HA VAL A 26 0.630 5.310 -8.230 1.00 0.00 H new ATOM 0 HB VAL A 26 1.033 6.519 -5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.708 4.244 -4.811 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.021 4.297 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.297 3.660 -6.441 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.379 5.821 -5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.036 5.303 -7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.908 7.022 -6.946 1.00 0.00 H new ATOM 368 N VAL A 27 -1.574 4.667 -7.140 1.00 0.00 N ATOM 369 CA VAL A 27 -2.956 4.384 -6.773 1.00 0.00 C ATOM 370 C VAL A 27 -3.032 3.276 -5.729 1.00 0.00 C ATOM 371 O VAL A 27 -2.786 2.107 -6.028 1.00 0.00 O ATOM 372 CB VAL A 27 -3.790 3.974 -8.002 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.215 3.634 -7.591 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.777 5.079 -9.047 1.00 0.00 C ATOM 0 H VAL A 27 -1.050 3.856 -7.468 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.367 5.303 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.342 3.083 -8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.789 3.347 -8.472 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.201 2.807 -6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.677 4.504 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.371 4.772 -9.908 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.200 5.989 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.751 5.269 -9.363 1.00 0.00 H new ATOM 384 N VAL A 28 -3.375 3.651 -4.500 1.00 0.00 N ATOM 385 CA VAL A 28 -3.486 2.689 -3.410 1.00 0.00 C ATOM 386 C VAL A 28 -4.945 2.367 -3.107 1.00 0.00 C ATOM 387 O VAL A 28 -5.835 3.182 -3.351 1.00 0.00 O ATOM 388 CB VAL A 28 -2.809 3.212 -2.129 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.299 3.256 -2.303 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.353 4.585 -1.763 1.00 0.00 C ATOM 0 H VAL A 28 -3.581 4.614 -4.235 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.978 1.781 -3.736 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.036 2.527 -1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.838 3.628 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.928 2.253 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.047 3.918 -3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.864 4.940 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.157 5.283 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.428 4.517 -1.593 1.00 0.00 H new ATOM 400 N VAL A 29 -5.183 1.174 -2.572 1.00 0.00 N ATOM 401 CA VAL A 29 -6.535 0.744 -2.232 1.00 0.00 C ATOM 402 C VAL A 29 -6.597 0.198 -0.810 1.00 0.00 C ATOM 403 O VAL A 29 -5.819 -0.681 -0.436 1.00 0.00 O ATOM 404 CB VAL A 29 -7.042 -0.334 -3.208 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.432 -0.805 -2.808 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.039 0.194 -4.634 1.00 0.00 C ATOM 0 H VAL A 29 -4.458 0.488 -2.364 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.176 1.622 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.367 -1.189 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.774 -1.566 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.398 -1.226 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.121 0.039 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.400 -0.581 -5.310 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.690 1.066 -4.701 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.025 0.477 -4.915 1.00 0.00 H new ATOM 416 N LEU A 30 -7.527 0.724 -0.021 1.00 0.00 N ATOM 417 CA LEU A 30 -7.693 0.289 1.361 1.00 0.00 C ATOM 418 C LEU A 30 -8.524 -0.988 1.435 1.00 0.00 C ATOM 419 O LEU A 30 -9.631 -1.052 0.900 1.00 0.00 O ATOM 420 CB LEU A 30 -8.357 1.391 2.188 1.00 0.00 C ATOM 421 CG LEU A 30 -7.577 2.700 2.312 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.273 3.647 3.276 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.150 2.429 2.764 1.00 0.00 C ATOM 0 H LEU A 30 -8.178 1.452 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.704 0.081 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.330 1.611 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.541 1.004 3.191 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.542 3.174 1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.703 4.573 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.276 3.867 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.340 3.181 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.609 3.372 2.847 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.164 1.932 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.653 1.789 2.035 1.00 0.00 H new ATOM 435 N SER A 31 -7.982 -2.003 2.101 1.00 0.00 N ATOM 436 CA SER A 31 -8.673 -3.279 2.244 1.00 0.00 C ATOM 437 C SER A 31 -8.258 -3.981 3.533 1.00 0.00 C ATOM 438 O SER A 31 -7.074 -4.211 3.775 1.00 0.00 O ATOM 439 CB SER A 31 -8.377 -4.180 1.042 1.00 0.00 C ATOM 440 OG SER A 31 -6.984 -4.392 0.895 1.00 0.00 O ATOM 0 H SER A 31 -7.067 -1.966 2.550 1.00 0.00 H new ATOM 0 HA SER A 31 -9.744 -3.081 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.883 -5.137 1.168 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.777 -3.725 0.136 1.00 0.00 H new ATOM 0 HG SER A 31 -6.820 -5.325 0.645 1.00 0.00 H new ATOM 446 N GLY A 32 -9.243 -4.318 4.360 1.00 0.00 N ATOM 447 CA GLY A 32 -8.962 -4.989 5.615 1.00 0.00 C ATOM 448 C GLY A 32 -8.741 -4.016 6.756 1.00 0.00 C ATOM 449 O GLY A 32 -8.019 -4.317 7.707 1.00 0.00 O ATOM 0 H GLY A 32 -10.231 -4.138 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.791 -5.652 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.077 -5.615 5.499 1.00 0.00 H new ATOM 453 N PHE A 33 -9.363 -2.845 6.662 1.00 0.00 N ATOM 454 CA PHE A 33 -9.228 -1.823 7.694 1.00 0.00 C ATOM 455 C PHE A 33 -10.590 -1.453 8.274 1.00 0.00 C ATOM 456 O PHE A 33 -11.627 -1.725 7.669 1.00 0.00 O ATOM 457 CB PHE A 33 -8.550 -0.577 7.122 1.00 0.00 C ATOM 458 CG PHE A 33 -7.206 -0.854 6.510 1.00 0.00 C ATOM 459 CD1 PHE A 33 -6.121 -1.181 7.308 1.00 0.00 C ATOM 460 CD2 PHE A 33 -7.028 -0.786 5.138 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.883 -1.437 6.748 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.792 -1.041 4.572 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.719 -1.365 5.379 1.00 0.00 C ATOM 0 H PHE A 33 -9.965 -2.580 5.882 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.610 -2.230 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.200 -0.134 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.434 0.161 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.244 -1.236 8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.864 -0.531 4.503 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.046 -1.693 7.380 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.666 -0.987 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.752 -1.562 4.939 1.00 0.00 H new ATOM 473 N GLN A 34 -10.578 -0.833 9.449 1.00 0.00 N ATOM 474 CA GLN A 34 -11.812 -0.427 10.111 1.00 0.00 C ATOM 475 C GLN A 34 -11.691 0.987 10.668 1.00 0.00 C ATOM 476 O GLN A 34 -10.819 1.270 11.488 1.00 0.00 O ATOM 477 CB GLN A 34 -12.156 -1.403 11.238 1.00 0.00 C ATOM 478 CG GLN A 34 -13.014 -2.575 10.787 1.00 0.00 C ATOM 479 CD GLN A 34 -14.449 -2.174 10.508 1.00 0.00 C ATOM 480 OE1 GLN A 34 -14.950 -1.193 11.059 1.00 0.00 O ATOM 481 NE2 GLN A 34 -15.120 -2.933 9.649 1.00 0.00 N ATOM 0 H GLN A 34 -9.728 -0.601 9.962 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.612 -0.440 9.371 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.232 -1.785 11.671 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.679 -0.863 12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.581 -3.012 9.887 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.000 -3.348 11.555 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.666 -3.737 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.090 -2.712 9.423 1.00 0.00 H new ATOM 490 N ASN A 35 -12.573 1.873 10.216 1.00 0.00 N ATOM 491 CA ASN A 35 -12.564 3.260 10.668 1.00 0.00 C ATOM 492 C ASN A 35 -12.538 3.335 12.192 1.00 0.00 C ATOM 493 O ASN A 35 -12.984 2.424 12.890 1.00 0.00 O ATOM 494 CB ASN A 35 -13.790 4.001 10.131 1.00 0.00 C ATOM 495 CG ASN A 35 -14.970 3.931 11.080 1.00 0.00 C ATOM 496 OD1 ASN A 35 -15.309 2.862 11.589 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.603 5.073 11.323 1.00 0.00 N ATOM 0 H ASN A 35 -13.303 1.655 9.537 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.662 3.736 10.283 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.531 5.045 9.954 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.075 3.576 9.169 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.405 5.088 11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.287 5.935 10.879 1.00 0.00 H new ATOM 504 N PRO A 36 -12.003 4.446 12.720 1.00 0.00 N ATOM 505 CA PRO A 36 -11.469 5.535 11.898 1.00 0.00 C ATOM 506 C PRO A 36 -10.183 5.142 11.179 1.00 0.00 C ATOM 507 O PRO A 36 -9.751 5.818 10.245 1.00 0.00 O ATOM 508 CB PRO A 36 -11.193 6.645 12.916 1.00 0.00 C ATOM 509 CG PRO A 36 -10.986 5.931 14.207 1.00 0.00 C ATOM 510 CD PRO A 36 -11.879 4.723 14.161 1.00 0.00 C ATOM 0 HA PRO A 36 -12.160 5.825 11.107 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.313 7.226 12.639 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.029 7.342 12.978 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.943 5.640 14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.239 6.571 15.052 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.442 3.880 14.696 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.849 4.922 14.617 1.00 0.00 H new ATOM 518 N PHE A 37 -9.577 4.044 11.618 1.00 0.00 N ATOM 519 CA PHE A 37 -8.340 3.561 11.016 1.00 0.00 C ATOM 520 C PHE A 37 -8.338 3.802 9.509 1.00 0.00 C ATOM 521 O PHE A 37 -7.511 4.552 8.991 1.00 0.00 O ATOM 522 CB PHE A 37 -8.156 2.069 11.305 1.00 0.00 C ATOM 523 CG PHE A 37 -6.726 1.616 11.227 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.724 2.325 11.870 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.384 0.480 10.510 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.408 1.910 11.799 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.069 0.060 10.436 1.00 0.00 C ATOM 528 CZ PHE A 37 -4.080 0.775 11.082 1.00 0.00 C ATOM 0 H PHE A 37 -9.922 3.472 12.389 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.511 4.115 11.456 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -8.545 1.849 12.299 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.750 1.493 10.595 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.975 3.212 12.433 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.154 -0.083 10.003 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.636 2.472 12.304 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.815 -0.826 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.052 0.448 11.027 1.00 0.00 H new ATOM 538 N ARG A 38 -9.270 3.161 8.812 1.00 0.00 N ATOM 539 CA ARG A 38 -9.376 3.304 7.365 1.00 0.00 C ATOM 540 C ARG A 38 -9.258 4.769 6.953 1.00 0.00 C ATOM 541 O ARG A 38 -8.546 5.103 6.007 1.00 0.00 O ATOM 542 CB ARG A 38 -10.704 2.729 6.870 1.00 0.00 C ATOM 543 CG ARG A 38 -11.844 3.735 6.878 1.00 0.00 C ATOM 544 CD ARG A 38 -13.166 3.082 6.506 1.00 0.00 C ATOM 545 NE ARG A 38 -14.286 4.013 6.613 1.00 0.00 N ATOM 546 CZ ARG A 38 -15.443 3.846 5.983 1.00 0.00 C ATOM 547 NH1 ARG A 38 -15.632 2.789 5.205 1.00 0.00 N ATOM 548 NH2 ARG A 38 -16.415 4.737 6.131 1.00 0.00 N ATOM 0 H ARG A 38 -9.963 2.537 9.226 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.556 2.749 6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.571 2.351 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.977 1.878 7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.925 4.186 7.867 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.625 4.540 6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.108 2.701 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.343 2.226 7.157 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.173 4.837 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.888 2.101 5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.522 2.664 4.722 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -16.274 5.551 6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -17.303 4.608 5.647 1.00 0.00 H new ATOM 562 N SER A 39 -9.963 5.638 7.671 1.00 0.00 N ATOM 563 CA SER A 39 -9.941 7.066 7.378 1.00 0.00 C ATOM 564 C SER A 39 -8.531 7.630 7.527 1.00 0.00 C ATOM 565 O SER A 39 -7.977 8.200 6.588 1.00 0.00 O ATOM 566 CB SER A 39 -10.902 7.813 8.304 1.00 0.00 C ATOM 567 OG SER A 39 -11.360 9.013 7.705 1.00 0.00 O ATOM 0 H SER A 39 -10.556 5.378 8.459 1.00 0.00 H new ATOM 0 HA SER A 39 -10.261 7.205 6.345 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.753 7.174 8.542 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.401 8.041 9.245 1.00 0.00 H new ATOM 0 HG SER A 39 -11.974 9.470 8.317 1.00 0.00 H new ATOM 573 N GLU A 40 -7.958 7.466 8.716 1.00 0.00 N ATOM 574 CA GLU A 40 -6.613 7.959 8.989 1.00 0.00 C ATOM 575 C GLU A 40 -5.628 7.467 7.933 1.00 0.00 C ATOM 576 O GLU A 40 -4.941 8.262 7.290 1.00 0.00 O ATOM 577 CB GLU A 40 -6.154 7.512 10.378 1.00 0.00 C ATOM 578 CG GLU A 40 -4.717 7.888 10.695 1.00 0.00 C ATOM 579 CD GLU A 40 -4.485 8.111 12.177 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.413 8.599 12.855 1.00 0.00 O ATOM 581 OE2 GLU A 40 -3.376 7.797 12.658 1.00 0.00 O ATOM 0 H GLU A 40 -8.404 6.996 9.504 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.640 9.048 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.810 7.954 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.263 6.430 10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.053 7.099 10.342 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.454 8.794 10.150 1.00 0.00 H new ATOM 588 N LEU A 41 -5.565 6.151 7.759 1.00 0.00 N ATOM 589 CA LEU A 41 -4.663 5.551 6.782 1.00 0.00 C ATOM 590 C LEU A 41 -4.812 6.222 5.420 1.00 0.00 C ATOM 591 O LEU A 41 -3.832 6.410 4.699 1.00 0.00 O ATOM 592 CB LEU A 41 -4.940 4.052 6.657 1.00 0.00 C ATOM 593 CG LEU A 41 -3.960 3.259 5.791 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.553 3.345 6.361 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.404 1.807 5.678 1.00 0.00 C ATOM 0 H LEU A 41 -6.128 5.480 8.282 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.640 5.698 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.943 3.619 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.942 3.921 6.250 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.952 3.695 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.870 2.775 5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.235 4.387 6.390 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.544 2.935 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.696 1.257 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.441 1.360 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.394 1.763 5.223 1.00 0.00 H new ATOM 607 N ARG A 42 -6.044 6.583 5.075 1.00 0.00 N ATOM 608 CA ARG A 42 -6.321 7.234 3.801 1.00 0.00 C ATOM 609 C ARG A 42 -5.730 8.640 3.769 1.00 0.00 C ATOM 610 O ARG A 42 -5.042 9.014 2.819 1.00 0.00 O ATOM 611 CB ARG A 42 -7.830 7.297 3.553 1.00 0.00 C ATOM 612 CG ARG A 42 -8.198 7.685 2.130 1.00 0.00 C ATOM 613 CD ARG A 42 -9.585 8.305 2.063 1.00 0.00 C ATOM 614 NE ARG A 42 -10.614 7.400 2.566 1.00 0.00 N ATOM 615 CZ ARG A 42 -11.796 7.807 3.015 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.097 9.099 3.023 1.00 0.00 N ATOM 617 NH2 ARG A 42 -12.681 6.922 3.457 1.00 0.00 N ATOM 0 H ARG A 42 -6.866 6.435 5.661 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.855 6.645 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.268 6.325 3.780 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.273 8.015 4.243 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.463 8.391 1.743 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.161 6.803 1.490 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.598 9.227 2.644 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.812 8.575 1.032 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.414 6.400 2.573 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.420 9.782 2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.005 9.409 3.368 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.454 5.928 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -13.588 7.236 3.801 1.00 0.00 H new ATOM 631 N ASP A 43 -6.005 9.415 4.812 1.00 0.00 N ATOM 632 CA ASP A 43 -5.500 10.780 4.904 1.00 0.00 C ATOM 633 C ASP A 43 -4.016 10.836 4.557 1.00 0.00 C ATOM 634 O ASP A 43 -3.583 11.675 3.767 1.00 0.00 O ATOM 635 CB ASP A 43 -5.729 11.337 6.310 1.00 0.00 C ATOM 636 CG ASP A 43 -5.641 12.850 6.355 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.754 13.414 5.680 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.460 13.471 7.065 1.00 0.00 O ATOM 0 H ASP A 43 -6.575 9.122 5.606 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.045 11.392 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.710 11.022 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.991 10.913 6.990 1.00 0.00 H new ATOM 643 N LYS A 44 -3.240 9.936 5.153 1.00 0.00 N ATOM 644 CA LYS A 44 -1.804 9.881 4.907 1.00 0.00 C ATOM 645 C LYS A 44 -1.513 9.454 3.472 1.00 0.00 C ATOM 646 O LYS A 44 -0.647 10.023 2.808 1.00 0.00 O ATOM 647 CB LYS A 44 -1.135 8.912 5.884 1.00 0.00 C ATOM 648 CG LYS A 44 -1.130 9.405 7.321 1.00 0.00 C ATOM 649 CD LYS A 44 -1.091 8.249 8.307 1.00 0.00 C ATOM 650 CE LYS A 44 -0.957 8.742 9.739 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.390 7.712 10.724 1.00 0.00 N ATOM 0 H LYS A 44 -3.582 9.235 5.810 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.397 10.880 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.649 7.952 5.840 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.107 8.739 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.267 10.051 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.019 10.009 7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.000 7.655 8.209 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.254 7.593 8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.080 9.016 9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.555 9.644 9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.071 8.132 11.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.839 6.919 10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.563 7.365 11.250 1.00 0.00 H new ATOM 665 N ALA A 45 -2.244 8.449 2.999 1.00 0.00 N ATOM 666 CA ALA A 45 -2.066 7.948 1.642 1.00 0.00 C ATOM 667 C ALA A 45 -2.185 9.075 0.621 1.00 0.00 C ATOM 668 O ALA A 45 -1.538 9.048 -0.427 1.00 0.00 O ATOM 669 CB ALA A 45 -3.083 6.856 1.345 1.00 0.00 C ATOM 0 H ALA A 45 -2.965 7.966 3.536 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.064 7.527 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.938 6.491 0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.950 6.034 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.090 7.260 1.446 1.00 0.00 H new ATOM 675 N LEU A 46 -3.015 10.064 0.932 1.00 0.00 N ATOM 676 CA LEU A 46 -3.219 11.201 0.041 1.00 0.00 C ATOM 677 C LEU A 46 -2.040 12.166 0.111 1.00 0.00 C ATOM 678 O LEU A 46 -1.536 12.618 -0.916 1.00 0.00 O ATOM 679 CB LEU A 46 -4.513 11.932 0.404 1.00 0.00 C ATOM 680 CG LEU A 46 -5.778 11.074 0.451 1.00 0.00 C ATOM 681 CD1 LEU A 46 -6.903 11.819 1.153 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.200 10.669 -0.954 1.00 0.00 C ATOM 0 H LEU A 46 -3.558 10.102 1.795 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.295 10.823 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.380 12.402 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.669 12.734 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.559 10.169 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.795 11.193 1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.600 12.058 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.121 12.741 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.102 10.059 -0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.400 11.562 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.401 10.095 -1.423 1.00 0.00 H new ATOM 694 N GLU A 47 -1.605 12.474 1.329 1.00 0.00 N ATOM 695 CA GLU A 47 -0.484 13.384 1.531 1.00 0.00 C ATOM 696 C GLU A 47 0.695 13.001 0.641 1.00 0.00 C ATOM 697 O GLU A 47 1.366 13.865 0.074 1.00 0.00 O ATOM 698 CB GLU A 47 -0.052 13.378 2.999 1.00 0.00 C ATOM 699 CG GLU A 47 -0.795 14.390 3.856 1.00 0.00 C ATOM 700 CD GLU A 47 -2.071 13.826 4.450 1.00 0.00 C ATOM 701 OE1 GLU A 47 -1.986 13.120 5.477 1.00 0.00 O ATOM 702 OE2 GLU A 47 -3.154 14.090 3.888 1.00 0.00 O ATOM 0 H GLU A 47 -2.011 12.107 2.190 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.811 14.388 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.208 12.381 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.017 13.582 3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.142 14.728 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.035 15.265 3.252 1.00 0.00 H new ATOM 709 N LEU A 48 0.942 11.701 0.524 1.00 0.00 N ATOM 710 CA LEU A 48 2.041 11.202 -0.296 1.00 0.00 C ATOM 711 C LEU A 48 1.777 11.463 -1.775 1.00 0.00 C ATOM 712 O LEU A 48 2.707 11.546 -2.577 1.00 0.00 O ATOM 713 CB LEU A 48 2.242 9.705 -0.058 1.00 0.00 C ATOM 714 CG LEU A 48 2.504 9.285 1.389 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.399 7.774 1.534 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.871 9.772 1.847 1.00 0.00 C ATOM 0 H LEU A 48 0.397 10.973 0.986 1.00 0.00 H new ATOM 0 HA LEU A 48 2.948 11.734 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.356 9.179 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.079 9.369 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 48 1.745 9.744 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.588 7.494 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.399 7.450 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.135 7.295 0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.040 9.464 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.643 9.342 1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.910 10.859 1.782 1.00 0.00 H new ATOM 728 N GLY A 49 0.503 11.593 -2.131 1.00 0.00 N ATOM 729 CA GLY A 49 0.140 11.844 -3.513 1.00 0.00 C ATOM 730 C GLY A 49 -0.474 10.630 -4.182 1.00 0.00 C ATOM 731 O GLY A 49 -0.583 10.577 -5.406 1.00 0.00 O ATOM 0 H GLY A 49 -0.285 11.529 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.566 12.674 -3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.026 12.151 -4.068 1.00 0.00 H new ATOM 735 N ALA A 50 -0.875 9.652 -3.376 1.00 0.00 N ATOM 736 CA ALA A 50 -1.481 8.433 -3.897 1.00 0.00 C ATOM 737 C ALA A 50 -2.998 8.564 -3.975 1.00 0.00 C ATOM 738 O ALA A 50 -3.608 9.303 -3.201 1.00 0.00 O ATOM 739 CB ALA A 50 -1.095 7.241 -3.033 1.00 0.00 C ATOM 0 H ALA A 50 -0.791 9.680 -2.360 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.105 8.272 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.554 6.337 -3.434 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.011 7.128 -3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.443 7.403 -2.013 1.00 0.00 H new ATOM 745 N LYS A 51 -3.602 7.844 -4.913 1.00 0.00 N ATOM 746 CA LYS A 51 -5.049 7.878 -5.092 1.00 0.00 C ATOM 747 C LYS A 51 -5.729 6.813 -4.237 1.00 0.00 C ATOM 748 O LYS A 51 -5.211 5.708 -4.077 1.00 0.00 O ATOM 749 CB LYS A 51 -5.406 7.669 -6.565 1.00 0.00 C ATOM 750 CG LYS A 51 -5.034 8.843 -7.454 1.00 0.00 C ATOM 751 CD LYS A 51 -5.882 8.880 -8.714 1.00 0.00 C ATOM 752 CE LYS A 51 -5.150 9.562 -9.859 1.00 0.00 C ATOM 753 NZ LYS A 51 -4.131 8.669 -10.477 1.00 0.00 N ATOM 0 H LYS A 51 -3.112 7.229 -5.562 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.406 8.857 -4.773 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.901 6.774 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.477 7.486 -6.648 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.162 9.774 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.980 8.775 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.148 7.864 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.814 9.408 -8.511 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.870 9.871 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.665 10.467 -9.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.392 9.245 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.703 8.070 -9.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.585 8.067 -11.193 1.00 0.00 H new ATOM 767 N TYR A 52 -6.891 7.153 -3.691 1.00 0.00 N ATOM 768 CA TYR A 52 -7.641 6.226 -2.852 1.00 0.00 C ATOM 769 C TYR A 52 -8.914 5.763 -3.554 1.00 0.00 C ATOM 770 O TYR A 52 -9.777 6.571 -3.896 1.00 0.00 O ATOM 771 CB TYR A 52 -7.993 6.885 -1.517 1.00 0.00 C ATOM 772 CG TYR A 52 -9.251 6.335 -0.884 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.245 5.110 -0.228 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.446 7.042 -0.940 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.393 4.605 0.351 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.598 6.545 -0.363 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.567 5.325 0.281 1.00 0.00 C ATOM 778 OH TYR A 52 -12.712 4.826 0.858 1.00 0.00 O ATOM 0 H TYR A 52 -7.334 8.063 -3.814 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.013 5.355 -2.666 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.161 6.753 -0.826 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.113 7.957 -1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.327 4.543 -0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.474 7.997 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.371 3.651 0.856 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.518 7.108 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.449 5.456 0.720 1.00 0.00 H new ATOM 788 N ARG A 53 -9.022 4.455 -3.766 1.00 0.00 N ATOM 789 CA ARG A 53 -10.188 3.883 -4.427 1.00 0.00 C ATOM 790 C ARG A 53 -10.926 2.925 -3.496 1.00 0.00 C ATOM 791 O ARG A 53 -10.323 2.208 -2.698 1.00 0.00 O ATOM 792 CB ARG A 53 -9.768 3.149 -5.702 1.00 0.00 C ATOM 793 CG ARG A 53 -9.035 4.031 -6.699 1.00 0.00 C ATOM 794 CD ARG A 53 -10.005 4.793 -7.588 1.00 0.00 C ATOM 795 NE ARG A 53 -10.414 6.061 -6.989 1.00 0.00 N ATOM 796 CZ ARG A 53 -11.286 6.891 -7.551 1.00 0.00 C ATOM 797 NH1 ARG A 53 -11.838 6.589 -8.717 1.00 0.00 N ATOM 798 NH2 ARG A 53 -11.608 8.027 -6.944 1.00 0.00 N ATOM 0 H ARG A 53 -8.316 3.772 -3.490 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.862 4.698 -4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.127 2.309 -5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.655 2.733 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.400 4.737 -6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.380 3.417 -7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.539 4.982 -8.555 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.886 4.179 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.008 6.323 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.594 5.717 -9.186 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -12.507 7.229 -9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.186 8.263 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.277 8.664 -7.376 1.00 0.00 H new ATOM 812 N PRO A 54 -12.264 2.913 -3.599 1.00 0.00 N ATOM 813 CA PRO A 54 -13.113 2.049 -2.774 1.00 0.00 C ATOM 814 C PRO A 54 -12.973 0.576 -3.143 1.00 0.00 C ATOM 815 O PRO A 54 -13.205 -0.306 -2.316 1.00 0.00 O ATOM 816 CB PRO A 54 -14.528 2.545 -3.081 1.00 0.00 C ATOM 817 CG PRO A 54 -14.430 3.153 -4.438 1.00 0.00 C ATOM 818 CD PRO A 54 -13.049 3.741 -4.529 1.00 0.00 C ATOM 0 HA PRO A 54 -12.847 2.104 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.247 1.726 -3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.860 3.275 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.587 2.404 -5.214 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.191 3.921 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.656 3.688 -5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.039 4.791 -4.238 1.00 0.00 H new ATOM 826 N ASP A 55 -12.592 0.317 -4.389 1.00 0.00 N ATOM 827 CA ASP A 55 -12.420 -1.050 -4.867 1.00 0.00 C ATOM 828 C ASP A 55 -11.261 -1.138 -5.856 1.00 0.00 C ATOM 829 O ASP A 55 -10.811 -0.125 -6.391 1.00 0.00 O ATOM 830 CB ASP A 55 -13.707 -1.549 -5.526 1.00 0.00 C ATOM 831 CG ASP A 55 -13.472 -2.749 -6.422 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.030 -3.797 -5.906 1.00 0.00 O ATOM 833 OD2 ASP A 55 -13.728 -2.641 -7.639 1.00 0.00 O ATOM 0 H ASP A 55 -12.396 1.035 -5.086 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.192 -1.682 -4.009 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -14.429 -1.812 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.148 -0.743 -6.112 1.00 0.00 H new ATOM 838 N TRP A 56 -10.783 -2.354 -6.092 1.00 0.00 N ATOM 839 CA TRP A 56 -9.676 -2.574 -7.015 1.00 0.00 C ATOM 840 C TRP A 56 -9.979 -1.971 -8.382 1.00 0.00 C ATOM 841 O TRP A 56 -10.836 -2.468 -9.115 1.00 0.00 O ATOM 842 CB TRP A 56 -9.391 -4.070 -7.156 1.00 0.00 C ATOM 843 CG TRP A 56 -8.178 -4.369 -7.983 1.00 0.00 C ATOM 844 CD1 TRP A 56 -8.146 -5.003 -9.192 1.00 0.00 C ATOM 845 CD2 TRP A 56 -6.820 -4.047 -7.661 1.00 0.00 C ATOM 846 NE1 TRP A 56 -6.850 -5.095 -9.641 1.00 0.00 N ATOM 847 CE2 TRP A 56 -6.018 -4.515 -8.720 1.00 0.00 C ATOM 848 CE3 TRP A 56 -6.204 -3.408 -6.582 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -4.634 -4.364 -8.729 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.830 -3.259 -6.592 1.00 0.00 C ATOM 851 CH2 TRP A 56 -4.058 -3.734 -7.660 1.00 0.00 C ATOM 0 H TRP A 56 -11.145 -3.203 -5.657 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.794 -2.080 -6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -9.261 -4.503 -6.164 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -10.257 -4.557 -7.605 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -9.012 -5.377 -9.718 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -6.556 -5.525 -10.518 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.791 -3.037 -5.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -4.037 -4.731 -9.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -4.343 -2.768 -5.762 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.987 -3.600 -7.639 1.00 0.00 H new ATOM 862 N THR A 57 -9.272 -0.898 -8.722 1.00 0.00 N ATOM 863 CA THR A 57 -9.466 -0.227 -10.001 1.00 0.00 C ATOM 864 C THR A 57 -8.427 -0.677 -11.021 1.00 0.00 C ATOM 865 O THR A 57 -7.378 -1.210 -10.659 1.00 0.00 O ATOM 866 CB THR A 57 -9.392 1.304 -9.849 1.00 0.00 C ATOM 867 OG1 THR A 57 -8.079 1.691 -9.429 1.00 0.00 O ATOM 868 CG2 THR A 57 -10.419 1.799 -8.842 1.00 0.00 C ATOM 0 H THR A 57 -8.559 -0.475 -8.128 1.00 0.00 H new ATOM 0 HA THR A 57 -10.460 -0.501 -10.355 1.00 0.00 H new ATOM 0 HB THR A 57 -9.611 1.754 -10.817 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.598 0.906 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.347 2.883 -8.752 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.419 1.528 -9.180 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.227 1.341 -7.872 1.00 0.00 H new ATOM 876 N ARG A 58 -8.725 -0.459 -12.298 1.00 0.00 N ATOM 877 CA ARG A 58 -7.815 -0.842 -13.371 1.00 0.00 C ATOM 878 C ARG A 58 -6.526 -0.028 -13.308 1.00 0.00 C ATOM 879 O ARG A 58 -5.509 -0.413 -13.884 1.00 0.00 O ATOM 880 CB ARG A 58 -8.488 -0.649 -14.731 1.00 0.00 C ATOM 881 CG ARG A 58 -7.855 -1.468 -15.845 1.00 0.00 C ATOM 882 CD ARG A 58 -8.327 -2.913 -15.810 1.00 0.00 C ATOM 883 NE ARG A 58 -7.830 -3.678 -16.951 1.00 0.00 N ATOM 884 CZ ARG A 58 -6.575 -4.099 -17.063 1.00 0.00 C ATOM 885 NH1 ARG A 58 -5.695 -3.831 -16.109 1.00 0.00 N ATOM 886 NH2 ARG A 58 -6.199 -4.790 -18.131 1.00 0.00 N ATOM 0 H ARG A 58 -9.589 -0.019 -12.615 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.565 -1.895 -13.243 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.541 -0.918 -14.647 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.449 0.407 -15.000 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.104 -1.026 -16.810 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.770 -1.436 -15.750 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.991 -3.382 -14.885 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -9.417 -2.939 -15.803 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.482 -3.901 -17.703 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.981 -3.300 -15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.732 -4.156 -16.198 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.874 -4.998 -18.867 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.235 -5.113 -18.216 1.00 0.00 H new ATOM 900 N ASP A 59 -6.578 1.099 -12.607 1.00 0.00 N ATOM 901 CA ASP A 59 -5.415 1.968 -12.469 1.00 0.00 C ATOM 902 C ASP A 59 -4.642 1.642 -11.194 1.00 0.00 C ATOM 903 O ASP A 59 -3.605 2.243 -10.915 1.00 0.00 O ATOM 904 CB ASP A 59 -5.846 3.435 -12.457 1.00 0.00 C ATOM 905 CG ASP A 59 -6.891 3.724 -11.397 1.00 0.00 C ATOM 906 OD1 ASP A 59 -6.547 3.675 -10.198 1.00 0.00 O ATOM 907 OD2 ASP A 59 -8.052 3.998 -11.766 1.00 0.00 O ATOM 0 H ASP A 59 -7.413 1.432 -12.125 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.761 1.797 -13.324 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.974 4.065 -12.284 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.243 3.702 -13.436 1.00 0.00 H new ATOM 912 N SER A 60 -5.156 0.688 -10.424 1.00 0.00 N ATOM 913 CA SER A 60 -4.517 0.286 -9.177 1.00 0.00 C ATOM 914 C SER A 60 -3.113 -0.254 -9.435 1.00 0.00 C ATOM 915 O SER A 60 -2.932 -1.212 -10.187 1.00 0.00 O ATOM 916 CB SER A 60 -5.360 -0.774 -8.465 1.00 0.00 C ATOM 917 OG SER A 60 -6.638 -0.265 -8.126 1.00 0.00 O ATOM 0 H SER A 60 -6.013 0.179 -10.642 1.00 0.00 H new ATOM 0 HA SER A 60 -4.438 1.166 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.472 -1.647 -9.108 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.846 -1.106 -7.563 1.00 0.00 H new ATOM 0 HG SER A 60 -6.570 0.273 -7.310 1.00 0.00 H new ATOM 923 N THR A 61 -2.121 0.368 -8.805 1.00 0.00 N ATOM 924 CA THR A 61 -0.734 -0.048 -8.966 1.00 0.00 C ATOM 925 C THR A 61 -0.243 -0.810 -7.741 1.00 0.00 C ATOM 926 O THR A 61 0.601 -1.695 -7.881 1.00 0.00 O ATOM 927 CB THR A 61 0.190 1.160 -9.209 1.00 0.00 C ATOM 928 OG1 THR A 61 -0.020 2.150 -8.196 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.065 1.769 -10.580 1.00 0.00 C ATOM 0 H THR A 61 -2.253 1.162 -8.178 1.00 0.00 H new ATOM 0 HA THR A 61 -0.700 -0.703 -9.836 1.00 0.00 H new ATOM 0 HB THR A 61 1.222 0.813 -9.169 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.488 1.910 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.599 2.620 -10.729 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.124 1.022 -11.351 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.101 2.101 -10.643 1.00 0.00 H new ATOM 937 N HIS A 62 -0.774 -0.457 -6.580 1.00 0.00 N ATOM 938 CA HIS A 62 -0.381 -1.116 -5.346 1.00 0.00 C ATOM 939 C HIS A 62 -1.593 -1.236 -4.420 1.00 0.00 C ATOM 940 O HIS A 62 -2.379 -0.303 -4.247 1.00 0.00 O ATOM 941 CB HIS A 62 0.795 -0.388 -4.692 1.00 0.00 C ATOM 942 CG HIS A 62 1.908 -0.034 -5.649 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.735 0.836 -6.711 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.209 -0.442 -5.694 1.00 0.00 C ATOM 945 CE1 HIS A 62 2.886 0.940 -7.359 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.798 0.147 -6.727 1.00 0.00 N ATOM 0 H HIS A 62 -1.473 0.277 -6.468 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.032 -2.125 -5.564 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.428 0.525 -4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.199 -1.014 -3.896 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.680 -1.128 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.070 1.546 -8.234 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.773 0.026 -7.003 1.00 0.00 H new ATOM 954 N LEU A 63 -1.729 -2.415 -3.823 1.00 0.00 N ATOM 955 CA LEU A 63 -2.833 -2.688 -2.910 1.00 0.00 C ATOM 956 C LEU A 63 -2.359 -2.671 -1.461 1.00 0.00 C ATOM 957 O LEU A 63 -1.366 -3.312 -1.115 1.00 0.00 O ATOM 958 CB LEU A 63 -3.467 -4.042 -3.235 1.00 0.00 C ATOM 959 CG LEU A 63 -4.357 -4.645 -2.148 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.719 -3.968 -2.136 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.507 -6.145 -2.352 1.00 0.00 C ATOM 0 H LEU A 63 -1.088 -3.197 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.579 -1.904 -3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.060 -3.934 -4.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.669 -4.750 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.882 -4.476 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.338 -4.411 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.594 -2.903 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.202 -4.105 -3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.144 -6.557 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.959 -6.336 -3.325 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.526 -6.618 -2.308 1.00 0.00 H new ATOM 973 N ILE A 64 -3.075 -1.935 -0.618 1.00 0.00 N ATOM 974 CA ILE A 64 -2.729 -1.837 0.795 1.00 0.00 C ATOM 975 C ILE A 64 -3.549 -2.814 1.631 1.00 0.00 C ATOM 976 O ILE A 64 -4.645 -2.487 2.088 1.00 0.00 O ATOM 977 CB ILE A 64 -2.948 -0.410 1.331 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.443 0.621 0.320 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.247 -0.234 2.670 1.00 0.00 C ATOM 980 CD1 ILE A 64 -0.945 0.830 0.366 1.00 0.00 C ATOM 0 H ILE A 64 -3.899 -1.398 -0.889 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.672 -2.089 0.879 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.016 -0.253 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.727 0.303 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.940 1.573 0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.411 0.780 3.036 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.649 -0.949 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.178 -0.407 2.546 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.658 1.574 -0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.657 1.178 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.440 -0.111 0.151 1.00 0.00 H new ATOM 992 N CYS A 65 -3.011 -4.012 1.828 1.00 0.00 N ATOM 993 CA CYS A 65 -3.692 -5.037 2.610 1.00 0.00 C ATOM 994 C CYS A 65 -3.306 -4.944 4.083 1.00 0.00 C ATOM 995 O CYS A 65 -2.269 -4.377 4.428 1.00 0.00 O ATOM 996 CB CYS A 65 -3.358 -6.428 2.070 1.00 0.00 C ATOM 997 SG CYS A 65 -3.957 -7.786 3.102 1.00 0.00 S ATOM 0 H CYS A 65 -2.105 -4.298 1.457 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.766 -4.870 2.523 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.784 -6.530 1.072 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.276 -6.515 1.966 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.627 -8.921 2.560 1.00 0.00 H new ATOM 1003 N ALA A 66 -4.147 -5.503 4.947 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.893 -5.484 6.382 1.00 0.00 C ATOM 1005 C ALA A 66 -3.334 -6.820 6.859 1.00 0.00 C ATOM 1006 O ALA A 66 -2.460 -6.865 7.725 1.00 0.00 O ATOM 1007 CB ALA A 66 -5.168 -5.142 7.139 1.00 0.00 C ATOM 0 H ALA A 66 -5.010 -5.975 4.678 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.147 -4.716 6.584 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.964 -5.131 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.524 -4.160 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.931 -5.890 6.923 1.00 0.00 H new ATOM 1013 N PHE A 67 -3.845 -7.906 6.289 1.00 0.00 N ATOM 1014 CA PHE A 67 -3.398 -9.245 6.658 1.00 0.00 C ATOM 1015 C PHE A 67 -3.687 -10.242 5.540 1.00 0.00 C ATOM 1016 O PHE A 67 -4.692 -10.129 4.837 1.00 0.00 O ATOM 1017 CB PHE A 67 -4.082 -9.696 7.949 1.00 0.00 C ATOM 1018 CG PHE A 67 -5.452 -9.110 8.139 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -6.555 -9.679 7.523 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -5.637 -7.989 8.932 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -7.816 -9.141 7.695 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -6.896 -7.447 9.108 1.00 0.00 C ATOM 1023 CZ PHE A 67 -7.987 -8.024 8.489 1.00 0.00 C ATOM 0 H PHE A 67 -4.568 -7.886 5.570 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.321 -9.210 6.820 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.158 -10.783 7.950 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.457 -9.419 8.798 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.428 -10.553 6.901 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.787 -7.533 9.418 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -8.667 -9.594 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.026 -6.573 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 67 -8.972 -7.603 8.625 1.00 0.00 H new ATOM 1033 N ALA A 68 -2.799 -11.218 5.381 1.00 0.00 N ATOM 1034 CA ALA A 68 -2.960 -12.236 4.350 1.00 0.00 C ATOM 1035 C ALA A 68 -4.197 -13.089 4.608 1.00 0.00 C ATOM 1036 O ALA A 68 -4.920 -12.872 5.580 1.00 0.00 O ATOM 1037 CB ALA A 68 -1.718 -13.113 4.277 1.00 0.00 C ATOM 0 H ALA A 68 -1.961 -11.325 5.953 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.093 -11.731 3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.851 -13.869 3.503 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.851 -12.497 4.037 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.561 -13.602 5.238 1.00 0.00 H new ATOM 1043 N ASN A 69 -4.435 -14.059 3.732 1.00 0.00 N ATOM 1044 CA ASN A 69 -5.587 -14.944 3.865 1.00 0.00 C ATOM 1045 C ASN A 69 -6.891 -14.162 3.741 1.00 0.00 C ATOM 1046 O ASN A 69 -7.882 -14.475 4.402 1.00 0.00 O ATOM 1047 CB ASN A 69 -5.543 -15.674 5.209 1.00 0.00 C ATOM 1048 CG ASN A 69 -4.169 -16.238 5.516 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.762 -17.254 4.951 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -3.447 -15.579 6.414 1.00 0.00 N ATOM 0 H ASN A 69 -3.846 -14.253 2.922 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.546 -15.677 3.059 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.836 -14.987 6.002 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.272 -16.484 5.203 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.514 -15.910 6.661 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.825 -14.741 6.857 1.00 0.00 H new ATOM 1057 N THR A 70 -6.884 -13.141 2.888 1.00 0.00 N ATOM 1058 CA THR A 70 -8.065 -12.314 2.677 1.00 0.00 C ATOM 1059 C THR A 70 -8.642 -12.525 1.282 1.00 0.00 C ATOM 1060 O THR A 70 -7.961 -12.984 0.365 1.00 0.00 O ATOM 1061 CB THR A 70 -7.745 -10.819 2.867 1.00 0.00 C ATOM 1062 OG1 THR A 70 -6.388 -10.557 2.492 1.00 0.00 O ATOM 1063 CG2 THR A 70 -7.966 -10.398 4.312 1.00 0.00 C ATOM 0 H THR A 70 -6.073 -12.868 2.333 1.00 0.00 H new ATOM 0 HA THR A 70 -8.801 -12.618 3.421 1.00 0.00 H new ATOM 0 HB THR A 70 -8.416 -10.243 2.230 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.851 -10.401 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.734 -9.339 4.422 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.006 -10.572 4.587 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.316 -10.981 4.964 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.928 -12.181 1.115 1.00 0.00 N ATOM 1072 CA PRO A 71 -10.625 -12.323 -0.167 1.00 0.00 C ATOM 1073 C PRO A 71 -10.122 -11.333 -1.213 1.00 0.00 C ATOM 1074 O PRO A 71 -10.126 -11.623 -2.409 1.00 0.00 O ATOM 1075 CB PRO A 71 -12.084 -12.031 0.188 1.00 0.00 C ATOM 1076 CG PRO A 71 -12.014 -11.171 1.403 1.00 0.00 C ATOM 1077 CD PRO A 71 -10.800 -11.628 2.164 1.00 0.00 C ATOM 0 HA PRO A 71 -10.469 -13.307 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.596 -11.522 -0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.635 -12.951 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.931 -10.118 1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.915 -11.275 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.321 -10.802 2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.054 -12.379 2.912 1.00 0.00 H new ATOM 1085 N LYS A 72 -9.690 -10.164 -0.753 1.00 0.00 N ATOM 1086 CA LYS A 72 -9.182 -9.131 -1.648 1.00 0.00 C ATOM 1087 C LYS A 72 -7.718 -9.382 -1.995 1.00 0.00 C ATOM 1088 O LYS A 72 -7.239 -8.964 -3.049 1.00 0.00 O ATOM 1089 CB LYS A 72 -9.335 -7.750 -1.006 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.751 -6.623 -1.839 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.671 -6.244 -2.987 1.00 0.00 C ATOM 1092 CE LYS A 72 -10.722 -5.235 -2.550 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.765 -5.032 -3.593 1.00 0.00 N ATOM 0 H LYS A 72 -9.681 -9.908 0.234 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.766 -9.164 -2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.393 -7.553 -0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.851 -7.757 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.580 -5.752 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.781 -6.926 -2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -9.082 -5.827 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.161 -7.138 -3.372 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -11.192 -5.577 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.241 -4.283 -2.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.717 -4.055 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.603 -5.693 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.705 -5.207 -3.183 1.00 0.00 H new ATOM 1107 N TYR A 73 -7.013 -10.069 -1.103 1.00 0.00 N ATOM 1108 CA TYR A 73 -5.604 -10.375 -1.314 1.00 0.00 C ATOM 1109 C TYR A 73 -5.417 -11.267 -2.538 1.00 0.00 C ATOM 1110 O TYR A 73 -4.716 -10.906 -3.483 1.00 0.00 O ATOM 1111 CB TYR A 73 -5.017 -11.059 -0.078 1.00 0.00 C ATOM 1112 CG TYR A 73 -3.617 -11.588 -0.285 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.513 -10.750 -0.187 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -3.396 -12.929 -0.579 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.232 -11.229 -0.377 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -2.118 -13.418 -0.769 1.00 0.00 C ATOM 1117 CZ TYR A 73 -1.039 -12.564 -0.667 1.00 0.00 C ATOM 1118 OH TYR A 73 0.236 -13.046 -0.856 1.00 0.00 O ATOM 0 H TYR A 73 -7.395 -10.424 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.078 -9.436 -1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.009 -10.350 0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.668 -11.883 0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -2.660 -9.705 0.042 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.238 -13.600 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.386 -10.562 -0.299 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -1.964 -14.463 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 73 0.197 -14.006 -1.051 1.00 0.00 H new ATOM 1128 N SER A 74 -6.052 -12.435 -2.513 1.00 0.00 N ATOM 1129 CA SER A 74 -5.955 -13.382 -3.618 1.00 0.00 C ATOM 1130 C SER A 74 -6.465 -12.758 -4.914 1.00 0.00 C ATOM 1131 O SER A 74 -5.952 -13.043 -5.995 1.00 0.00 O ATOM 1132 CB SER A 74 -6.749 -14.650 -3.302 1.00 0.00 C ATOM 1133 OG SER A 74 -6.833 -15.496 -4.436 1.00 0.00 O ATOM 0 H SER A 74 -6.639 -12.748 -1.740 1.00 0.00 H new ATOM 0 HA SER A 74 -4.905 -13.643 -3.749 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.274 -15.185 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.752 -14.381 -2.970 1.00 0.00 H new ATOM 0 HG SER A 74 -7.344 -16.300 -4.207 1.00 0.00 H new ATOM 1139 N GLN A 75 -7.479 -11.907 -4.794 1.00 0.00 N ATOM 1140 CA GLN A 75 -8.060 -11.244 -5.955 1.00 0.00 C ATOM 1141 C GLN A 75 -6.999 -10.462 -6.723 1.00 0.00 C ATOM 1142 O GLN A 75 -6.848 -10.625 -7.934 1.00 0.00 O ATOM 1143 CB GLN A 75 -9.187 -10.305 -5.522 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.993 -9.746 -6.683 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.730 -8.471 -6.322 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -11.038 -8.228 -5.155 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -11.016 -7.648 -7.324 1.00 0.00 N ATOM 0 H GLN A 75 -7.915 -11.661 -3.905 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.468 -12.011 -6.613 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.857 -10.841 -4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.761 -9.478 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.326 -9.550 -7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.712 -10.495 -7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.742 -7.889 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.510 -6.774 -7.141 1.00 0.00 H new ATOM 1156 N VAL A 76 -6.266 -9.612 -6.011 1.00 0.00 N ATOM 1157 CA VAL A 76 -5.218 -8.806 -6.625 1.00 0.00 C ATOM 1158 C VAL A 76 -3.966 -9.636 -6.885 1.00 0.00 C ATOM 1159 O VAL A 76 -3.079 -9.225 -7.635 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.847 -7.600 -5.741 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.841 -6.707 -6.451 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -6.093 -6.816 -5.359 1.00 0.00 C ATOM 0 H VAL A 76 -6.379 -9.464 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.613 -8.444 -7.574 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.385 -7.971 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.591 -5.861 -5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.938 -7.277 -6.668 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.272 -6.342 -7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.812 -5.968 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.586 -6.455 -6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.775 -7.463 -4.807 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.900 -10.807 -6.261 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.756 -11.698 -6.425 1.00 0.00 C ATOM 1174 C LEU A 77 -2.742 -12.316 -7.819 1.00 0.00 C ATOM 1175 O LEU A 77 -1.740 -12.249 -8.529 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.788 -12.801 -5.366 1.00 0.00 C ATOM 1177 CG LEU A 77 -1.433 -13.379 -4.958 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -1.613 -14.500 -3.945 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.676 -13.879 -6.179 1.00 0.00 C ATOM 0 H LEU A 77 -4.625 -11.162 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.847 -11.109 -6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.276 -12.407 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.411 -13.615 -5.737 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.848 -12.586 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.638 -14.899 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.113 -14.112 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.218 -15.294 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.286 -14.287 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.257 -14.657 -6.674 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.514 -13.052 -6.870 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.864 -12.917 -8.206 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.960 -13.536 -9.515 1.00 0.00 C ATOM 1193 C GLY A 78 -3.966 -12.519 -10.639 1.00 0.00 C ATOM 1194 O GLY A 78 -3.378 -12.748 -11.697 1.00 0.00 O ATOM 0 H GLY A 78 -4.707 -12.986 -7.636 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.122 -14.220 -9.652 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.870 -14.133 -9.565 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.632 -11.392 -10.411 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.713 -10.336 -11.414 1.00 0.00 C ATOM 1200 C LEU A 79 -3.321 -9.882 -11.841 1.00 0.00 C ATOM 1201 O LEU A 79 -3.014 -9.823 -13.031 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.504 -9.146 -10.867 1.00 0.00 C ATOM 1203 CG LEU A 79 -7.025 -9.299 -10.858 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.662 -8.251 -9.958 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.580 -9.199 -12.271 1.00 0.00 C ATOM 0 H LEU A 79 -5.123 -11.186 -9.541 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.228 -10.737 -12.287 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.172 -8.953 -9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.251 -8.265 -11.457 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.269 -10.285 -10.462 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.745 -8.376 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.289 -8.370 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.409 -7.256 -10.323 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.664 -9.310 -12.245 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.325 -8.227 -12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.149 -9.988 -12.888 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.481 -9.564 -10.861 1.00 0.00 N ATOM 1218 CA GLY A 80 -1.130 -9.122 -11.155 1.00 0.00 C ATOM 1219 C GLY A 80 -0.773 -7.833 -10.441 1.00 0.00 C ATOM 1220 O GLY A 80 0.238 -7.204 -10.749 1.00 0.00 O ATOM 0 H GLY A 80 -2.712 -9.605 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.425 -9.901 -10.865 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.024 -8.979 -12.230 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.607 -7.438 -9.484 1.00 0.00 N ATOM 1225 CA GLY A 81 -1.358 -6.217 -8.740 1.00 0.00 C ATOM 1226 C GLY A 81 -0.243 -6.373 -7.726 1.00 0.00 C ATOM 1227 O GLY A 81 0.108 -7.491 -7.347 1.00 0.00 O ATOM 0 H GLY A 81 -2.451 -7.942 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.103 -5.417 -9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.271 -5.915 -8.227 1.00 0.00 H new ATOM 1231 N ARG A 82 0.316 -5.251 -7.286 1.00 0.00 N ATOM 1232 CA ARG A 82 1.400 -5.268 -6.311 1.00 0.00 C ATOM 1233 C ARG A 82 0.852 -5.236 -4.887 1.00 0.00 C ATOM 1234 O ARG A 82 0.497 -4.175 -4.373 1.00 0.00 O ATOM 1235 CB ARG A 82 2.336 -4.080 -6.536 1.00 0.00 C ATOM 1236 CG ARG A 82 3.700 -4.246 -5.885 1.00 0.00 C ATOM 1237 CD ARG A 82 4.688 -4.917 -6.827 1.00 0.00 C ATOM 1238 NE ARG A 82 4.505 -6.365 -6.871 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.254 -7.178 -7.607 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.231 -6.687 -8.357 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.027 -8.485 -7.595 1.00 0.00 N ATOM 0 H ARG A 82 0.036 -4.318 -7.589 1.00 0.00 H new ATOM 0 HA ARG A 82 1.960 -6.193 -6.445 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.470 -3.932 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.864 -3.178 -6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.084 -3.270 -5.588 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.601 -4.840 -4.976 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.569 -4.506 -7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.705 -4.690 -6.508 1.00 0.00 H new ATOM 0 HE ARG A 82 3.761 -6.774 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.409 -5.683 -8.370 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.805 -7.314 -8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.276 -8.867 -7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.603 -9.108 -8.161 1.00 0.00 H new ATOM 1255 N ILE A 83 0.785 -6.404 -4.257 1.00 0.00 N ATOM 1256 CA ILE A 83 0.281 -6.508 -2.894 1.00 0.00 C ATOM 1257 C ILE A 83 1.394 -6.279 -1.877 1.00 0.00 C ATOM 1258 O ILE A 83 2.414 -6.968 -1.891 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.360 -7.884 -2.635 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.275 -8.273 -3.798 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -1.137 -7.869 -1.326 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.565 -9.756 -3.870 1.00 0.00 C ATOM 0 H ILE A 83 1.074 -7.291 -4.669 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.478 -5.734 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 83 0.433 -8.628 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.216 -7.731 -3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.815 -7.955 -4.734 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.584 -8.849 -1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.461 -7.632 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.923 -7.116 -1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.219 -9.958 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.631 -10.304 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.054 -10.076 -2.950 1.00 0.00 H new ATOM 1274 N VAL A 84 1.189 -5.307 -0.993 1.00 0.00 N ATOM 1275 CA VAL A 84 2.174 -4.988 0.033 1.00 0.00 C ATOM 1276 C VAL A 84 1.500 -4.692 1.368 1.00 0.00 C ATOM 1277 O VAL A 84 0.275 -4.595 1.449 1.00 0.00 O ATOM 1278 CB VAL A 84 3.037 -3.778 -0.372 1.00 0.00 C ATOM 1279 CG1 VAL A 84 4.025 -4.168 -1.461 1.00 0.00 C ATOM 1280 CG2 VAL A 84 2.155 -2.625 -0.829 1.00 0.00 C ATOM 0 H VAL A 84 0.350 -4.728 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 84 2.815 -5.863 0.138 1.00 0.00 H new ATOM 0 HB VAL A 84 3.604 -3.449 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.626 -3.301 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.677 -4.960 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.481 -4.523 -2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.781 -1.778 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.561 -2.939 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.491 -2.330 -0.016 1.00 0.00 H new ATOM 1290 N ARG A 85 2.307 -4.550 2.414 1.00 0.00 N ATOM 1291 CA ARG A 85 1.789 -4.266 3.747 1.00 0.00 C ATOM 1292 C ARG A 85 1.345 -2.810 3.859 1.00 0.00 C ATOM 1293 O ARG A 85 1.516 -2.024 2.927 1.00 0.00 O ATOM 1294 CB ARG A 85 2.850 -4.569 4.806 1.00 0.00 C ATOM 1295 CG ARG A 85 3.536 -5.912 4.613 1.00 0.00 C ATOM 1296 CD ARG A 85 2.726 -7.044 5.225 1.00 0.00 C ATOM 1297 NE ARG A 85 2.595 -6.904 6.673 1.00 0.00 N ATOM 1298 CZ ARG A 85 1.575 -6.292 7.263 1.00 0.00 C ATOM 1299 NH1 ARG A 85 0.601 -5.767 6.533 1.00 0.00 N ATOM 1300 NH2 ARG A 85 1.527 -6.205 8.586 1.00 0.00 N ATOM 0 H ARG A 85 3.323 -4.627 2.364 1.00 0.00 H new ATOM 0 HA ARG A 85 0.923 -4.907 3.916 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.602 -3.781 4.791 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.385 -4.546 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.679 -6.099 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.526 -5.885 5.068 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.735 -7.066 4.772 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.203 -7.997 4.995 1.00 0.00 H new ATOM 0 HE ARG A 85 3.327 -7.298 7.263 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.634 -5.833 5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.181 -5.297 6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.274 -6.608 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.743 -5.735 9.038 1.00 0.00 H new ATOM 1314 N LYS A 86 0.773 -2.458 5.005 1.00 0.00 N ATOM 1315 CA LYS A 86 0.305 -1.097 5.241 1.00 0.00 C ATOM 1316 C LYS A 86 1.444 -0.206 5.727 1.00 0.00 C ATOM 1317 O LYS A 86 1.472 0.990 5.442 1.00 0.00 O ATOM 1318 CB LYS A 86 -0.830 -1.098 6.267 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.461 -1.761 7.583 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.600 -1.682 8.586 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.126 -2.009 9.994 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.631 -3.410 10.101 1.00 0.00 N ATOM 0 H LYS A 86 0.622 -3.097 5.786 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.067 -0.698 4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.134 -0.069 6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -1.693 -1.610 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.203 -2.805 7.406 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.425 -1.280 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.032 -0.681 8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.390 -2.375 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.331 -1.320 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.945 -1.858 10.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.397 -3.621 11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.369 -4.065 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.219 -3.524 9.513 1.00 0.00 H new ATOM 1336 N GLU A 87 2.381 -0.799 6.461 1.00 0.00 N ATOM 1337 CA GLU A 87 3.521 -0.057 6.985 1.00 0.00 C ATOM 1338 C GLU A 87 4.112 0.859 5.918 1.00 0.00 C ATOM 1339 O GLU A 87 4.652 1.922 6.226 1.00 0.00 O ATOM 1340 CB GLU A 87 4.594 -1.022 7.495 1.00 0.00 C ATOM 1341 CG GLU A 87 4.409 -1.426 8.948 1.00 0.00 C ATOM 1342 CD GLU A 87 5.690 -1.935 9.580 1.00 0.00 C ATOM 1343 OE1 GLU A 87 6.569 -2.417 8.835 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.813 -1.852 10.820 1.00 0.00 O ATOM 0 H GLU A 87 2.373 -1.789 6.706 1.00 0.00 H new ATOM 0 HA GLU A 87 3.171 0.559 7.814 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.589 -1.918 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.573 -0.558 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.044 -0.570 9.515 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.644 -2.200 9.011 1.00 0.00 H new ATOM 1351 N TRP A 88 4.005 0.440 4.662 1.00 0.00 N ATOM 1352 CA TRP A 88 4.529 1.222 3.548 1.00 0.00 C ATOM 1353 C TRP A 88 4.074 2.674 3.641 1.00 0.00 C ATOM 1354 O TRP A 88 4.895 3.589 3.703 1.00 0.00 O ATOM 1355 CB TRP A 88 4.078 0.618 2.217 1.00 0.00 C ATOM 1356 CG TRP A 88 4.661 1.311 1.023 1.00 0.00 C ATOM 1357 CD1 TRP A 88 5.970 1.644 0.826 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.952 1.757 -0.139 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.119 2.271 -0.388 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.896 2.351 -0.999 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.613 1.711 -0.536 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.541 2.895 -2.231 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.263 2.251 -1.759 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.223 2.836 -2.595 1.00 0.00 C ATOM 0 H TRP A 88 3.560 -0.437 4.390 1.00 0.00 H new ATOM 0 HA TRP A 88 5.617 1.198 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.359 -0.435 2.190 1.00 0.00 H new ATOM 0 HB3 TRP A 88 2.990 0.659 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.771 1.444 1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.997 2.620 -0.771 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.866 1.262 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.280 3.347 -2.876 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.231 2.222 -2.076 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.917 3.248 -3.545 1.00 0.00 H new ATOM 1375 N VAL A 89 2.761 2.879 3.651 1.00 0.00 N ATOM 1376 CA VAL A 89 2.197 4.221 3.738 1.00 0.00 C ATOM 1377 C VAL A 89 2.596 4.901 5.043 1.00 0.00 C ATOM 1378 O VAL A 89 3.200 5.975 5.037 1.00 0.00 O ATOM 1379 CB VAL A 89 0.660 4.191 3.637 1.00 0.00 C ATOM 1380 CG1 VAL A 89 0.099 5.605 3.625 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.223 3.425 2.397 1.00 0.00 C ATOM 0 H VAL A 89 2.068 2.133 3.600 1.00 0.00 H new ATOM 0 HA VAL A 89 2.598 4.788 2.898 1.00 0.00 H new ATOM 0 HB VAL A 89 0.265 3.676 4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.988 5.565 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.383 6.117 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 89 0.499 6.148 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.866 3.414 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.627 3.910 1.508 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.594 2.402 2.452 1.00 0.00 H new ATOM 1391 N LEU A 90 2.256 4.269 6.161 1.00 0.00 N ATOM 1392 CA LEU A 90 2.579 4.813 7.476 1.00 0.00 C ATOM 1393 C LEU A 90 4.020 5.312 7.519 1.00 0.00 C ATOM 1394 O LEU A 90 4.269 6.515 7.595 1.00 0.00 O ATOM 1395 CB LEU A 90 2.362 3.752 8.556 1.00 0.00 C ATOM 1396 CG LEU A 90 0.971 3.118 8.603 1.00 0.00 C ATOM 1397 CD1 LEU A 90 0.979 1.879 9.486 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.057 4.123 9.101 1.00 0.00 C ATOM 0 H LEU A 90 1.757 3.380 6.184 1.00 0.00 H new ATOM 0 HA LEU A 90 1.916 5.657 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.096 2.959 8.411 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.567 4.203 9.527 1.00 0.00 H new ATOM 0 HG LEU A 90 0.695 2.817 7.592 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.019 1.441 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.686 1.152 9.086 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.276 2.155 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.041 3.654 9.128 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.214 4.455 10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.082 4.981 8.429 1.00 0.00 H new ATOM 1410 N ASP A 91 4.965 4.379 7.469 1.00 0.00 N ATOM 1411 CA ASP A 91 6.381 4.724 7.500 1.00 0.00 C ATOM 1412 C ASP A 91 6.700 5.804 6.471 1.00 0.00 C ATOM 1413 O ASP A 91 7.430 6.753 6.758 1.00 0.00 O ATOM 1414 CB ASP A 91 7.236 3.483 7.237 1.00 0.00 C ATOM 1415 CG ASP A 91 7.118 2.454 8.343 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.221 1.589 8.256 1.00 0.00 O ATOM 1417 OD2 ASP A 91 7.921 2.513 9.298 1.00 0.00 O ATOM 0 H ASP A 91 4.776 3.379 7.407 1.00 0.00 H new ATOM 0 HA ASP A 91 6.613 5.112 8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.935 3.032 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.279 3.780 7.131 1.00 0.00 H new ATOM 1422 N CYS A 92 6.150 5.652 5.272 1.00 0.00 N ATOM 1423 CA CYS A 92 6.377 6.613 4.198 1.00 0.00 C ATOM 1424 C CYS A 92 6.005 8.023 4.644 1.00 0.00 C ATOM 1425 O CYS A 92 6.758 8.958 4.375 1.00 0.00 O ATOM 1426 CB CYS A 92 5.567 6.227 2.960 1.00 0.00 C ATOM 1427 SG CYS A 92 6.427 5.099 1.838 1.00 0.00 S ATOM 0 H CYS A 92 5.543 4.872 5.018 1.00 0.00 H new ATOM 0 HA CYS A 92 7.438 6.598 3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.634 5.763 3.280 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.302 7.133 2.415 1.00 0.00 H new ATOM 0 HG CYS A 92 6.158 3.871 2.167 1.00 0.00 H new ATOM 1433 N HIS A 93 4.865 8.146 5.307 1.00 0.00 N ATOM 1434 CA HIS A 93 4.409 9.442 5.779 1.00 0.00 C ATOM 1435 C HIS A 93 5.238 9.867 6.993 1.00 0.00 C ATOM 1436 O HIS A 93 5.940 10.878 6.982 1.00 0.00 O ATOM 1437 CB HIS A 93 2.906 9.418 6.067 1.00 0.00 C ATOM 1438 CG HIS A 93 2.354 10.733 6.562 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.638 11.699 5.916 1.00 0.00 N flip ATOM 1440 CD2 HIS A 93 2.521 11.175 7.863 1.00 0.00 C flip ATOM 1441 CE1 HIS A 93 1.380 12.676 6.777 1.00 0.00 C flip ATOM 1442 NE2 HIS A 93 1.927 12.353 7.984 1.00 0.00 N flip ATOM 0 H HIS A 93 4.243 7.369 5.529 1.00 0.00 H new ATOM 0 HA HIS A 93 4.559 10.190 5.000 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.377 9.133 5.158 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.701 8.647 6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.046 10.649 8.646 1.00 0.00 H new ATOM 0 HE1 HIS A 93 0.828 13.578 6.558 1.00 0.00 H new ATOM 0 HE2 HIS A 93 1.886 12.919 8.831 1.00 0.00 H new ATOM 1450 N ARG A 94 5.141 9.065 8.048 1.00 0.00 N ATOM 1451 CA ARG A 94 5.869 9.334 9.282 1.00 0.00 C ATOM 1452 C ARG A 94 7.283 9.825 8.983 1.00 0.00 C ATOM 1453 O ARG A 94 7.821 10.669 9.698 1.00 0.00 O ATOM 1454 CB ARG A 94 5.927 8.076 10.150 1.00 0.00 C ATOM 1455 CG ARG A 94 6.467 8.325 11.549 1.00 0.00 C ATOM 1456 CD ARG A 94 5.368 8.780 12.497 1.00 0.00 C ATOM 1457 NE ARG A 94 5.165 10.225 12.448 1.00 0.00 N ATOM 1458 CZ ARG A 94 4.408 10.891 13.312 1.00 0.00 C ATOM 1459 NH1 ARG A 94 3.785 10.245 14.288 1.00 0.00 N ATOM 1460 NH2 ARG A 94 4.272 12.206 13.202 1.00 0.00 N ATOM 0 H ARG A 94 4.565 8.223 8.073 1.00 0.00 H new ATOM 0 HA ARG A 94 5.338 10.117 9.824 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.926 7.651 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.552 7.332 9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.924 7.413 11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.251 9.082 11.509 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.437 8.275 12.241 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.622 8.484 13.515 1.00 0.00 H new ATOM 0 HE ARG A 94 5.630 10.752 11.709 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.887 9.234 14.377 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.204 10.759 14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.749 12.707 12.453 1.00 0.00 H new ATOM 0 HH22 ARG A 94 3.690 12.716 13.867 1.00 0.00 H new ATOM 1474 N MET A 95 7.877 9.289 7.923 1.00 0.00 N ATOM 1475 CA MET A 95 9.228 9.672 7.529 1.00 0.00 C ATOM 1476 C MET A 95 9.197 10.640 6.351 1.00 0.00 C ATOM 1477 O MET A 95 10.192 11.300 6.051 1.00 0.00 O ATOM 1478 CB MET A 95 10.048 8.433 7.165 1.00 0.00 C ATOM 1479 CG MET A 95 10.198 7.445 8.310 1.00 0.00 C ATOM 1480 SD MET A 95 11.638 6.377 8.122 1.00 0.00 S ATOM 1481 CE MET A 95 10.854 4.772 7.988 1.00 0.00 C ATOM 0 H MET A 95 7.445 8.588 7.321 1.00 0.00 H new ATOM 0 HA MET A 95 9.698 10.173 8.376 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.575 7.930 6.321 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.038 8.747 6.835 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.277 7.993 9.249 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.300 6.830 8.374 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.533 4.003 8.357 1.00 0.00 H new ATOM 0 HE2 MET A 95 9.940 4.763 8.581 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.611 4.572 6.944 1.00 0.00 H new ATOM 1491 N ARG A 96 8.049 10.719 5.685 1.00 0.00 N ATOM 1492 CA ARG A 96 7.890 11.605 4.539 1.00 0.00 C ATOM 1493 C ARG A 96 8.949 11.318 3.478 1.00 0.00 C ATOM 1494 O ARG A 96 9.549 12.237 2.922 1.00 0.00 O ATOM 1495 CB ARG A 96 7.978 13.067 4.981 1.00 0.00 C ATOM 1496 CG ARG A 96 7.228 13.360 6.269 1.00 0.00 C ATOM 1497 CD ARG A 96 7.634 14.702 6.858 1.00 0.00 C ATOM 1498 NE ARG A 96 8.832 14.595 7.687 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.819 14.176 8.947 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.676 13.825 9.521 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.950 14.107 9.637 1.00 0.00 N ATOM 0 H ARG A 96 7.216 10.180 5.920 1.00 0.00 H new ATOM 0 HA ARG A 96 6.907 11.423 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 96 9.026 13.336 5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.583 13.702 4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.155 13.356 6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.424 12.569 6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.813 15.413 6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.814 15.099 7.456 1.00 0.00 H new ATOM 0 HE ARG A 96 9.728 14.857 7.275 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.804 13.877 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.669 13.504 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.831 14.376 9.200 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.938 13.785 10.605 1.00 0.00 H new ATOM 1515 N ARG A 97 9.173 10.036 3.205 1.00 0.00 N ATOM 1516 CA ARG A 97 10.160 9.628 2.213 1.00 0.00 C ATOM 1517 C ARG A 97 9.643 8.459 1.381 1.00 0.00 C ATOM 1518 O ARG A 97 8.612 7.866 1.698 1.00 0.00 O ATOM 1519 CB ARG A 97 11.472 9.241 2.898 1.00 0.00 C ATOM 1520 CG ARG A 97 11.314 8.146 3.940 1.00 0.00 C ATOM 1521 CD ARG A 97 12.662 7.694 4.481 1.00 0.00 C ATOM 1522 NE ARG A 97 13.154 8.579 5.534 1.00 0.00 N ATOM 1523 CZ ARG A 97 14.236 8.326 6.261 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.935 7.219 6.051 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.620 9.180 7.201 1.00 0.00 N ATOM 0 H ARG A 97 8.684 9.263 3.657 1.00 0.00 H new ATOM 0 HA ARG A 97 10.341 10.472 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.184 8.911 2.141 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.899 10.124 3.373 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.695 8.509 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.793 7.295 3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.574 6.680 4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.387 7.661 3.667 1.00 0.00 H new ATOM 0 HE ARG A 97 12.638 9.439 5.721 1.00 0.00 H new ATOM 0 HH11 ARG A 97 14.642 6.560 5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 97 15.766 7.027 6.611 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.084 10.032 7.366 1.00 0.00 H new ATOM 0 HH22 ARG A 97 15.451 8.985 7.759 1.00 0.00 H new ATOM 1539 N ARG A 98 10.366 8.133 0.314 1.00 0.00 N ATOM 1540 CA ARG A 98 9.980 7.035 -0.565 1.00 0.00 C ATOM 1541 C ARG A 98 10.684 5.743 -0.162 1.00 0.00 C ATOM 1542 O ARG A 98 11.869 5.556 -0.439 1.00 0.00 O ATOM 1543 CB ARG A 98 10.312 7.377 -2.018 1.00 0.00 C ATOM 1544 CG ARG A 98 9.798 6.353 -3.017 1.00 0.00 C ATOM 1545 CD ARG A 98 9.537 6.983 -4.376 1.00 0.00 C ATOM 1546 NE ARG A 98 8.644 6.167 -5.195 1.00 0.00 N ATOM 1547 CZ ARG A 98 9.030 5.066 -5.830 1.00 0.00 C ATOM 1548 NH1 ARG A 98 10.286 4.651 -5.740 1.00 0.00 N ATOM 1549 NH2 ARG A 98 8.159 4.377 -6.556 1.00 0.00 N ATOM 0 H ARG A 98 11.222 8.614 0.037 1.00 0.00 H new ATOM 0 HA ARG A 98 8.904 6.887 -0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.888 8.352 -2.259 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.393 7.465 -2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.526 5.548 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.879 5.905 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.100 7.972 -4.239 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.483 7.122 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 98 7.671 6.459 -5.284 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.958 5.177 -5.182 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.580 3.805 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 98 7.192 4.693 -6.627 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.457 3.532 -7.043 1.00 0.00 H new ATOM 1563 N LEU A 99 9.946 4.854 0.494 1.00 0.00 N ATOM 1564 CA LEU A 99 10.499 3.578 0.936 1.00 0.00 C ATOM 1565 C LEU A 99 10.307 2.503 -0.129 1.00 0.00 C ATOM 1566 O LEU A 99 9.333 2.508 -0.883 1.00 0.00 O ATOM 1567 CB LEU A 99 9.838 3.139 2.244 1.00 0.00 C ATOM 1568 CG LEU A 99 9.879 4.152 3.389 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.001 3.691 4.541 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.310 4.367 3.860 1.00 0.00 C ATOM 0 H LEU A 99 8.964 4.993 0.732 1.00 0.00 H new ATOM 0 HA LEU A 99 11.568 3.712 1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.796 2.896 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.319 2.220 2.581 1.00 0.00 H new ATOM 0 HG LEU A 99 9.492 5.102 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.043 4.424 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.972 3.589 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.358 2.729 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.320 5.091 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.724 3.421 4.210 1.00 0.00 H new ATOM 0 HD23 LEU A 99 11.913 4.743 3.033 1.00 0.00 H new ATOM 1582 N PRO A 100 11.255 1.557 -0.193 1.00 0.00 N ATOM 1583 CA PRO A 100 11.211 0.456 -1.160 1.00 0.00 C ATOM 1584 C PRO A 100 10.099 -0.541 -0.853 1.00 0.00 C ATOM 1585 O PRO A 100 10.212 -1.346 0.072 1.00 0.00 O ATOM 1586 CB PRO A 100 12.582 -0.208 -1.005 1.00 0.00 C ATOM 1587 CG PRO A 100 13.009 0.126 0.383 1.00 0.00 C ATOM 1588 CD PRO A 100 12.443 1.488 0.674 1.00 0.00 C ATOM 0 HA PRO A 100 11.005 0.809 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.519 -1.286 -1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.292 0.172 -1.740 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.636 -0.611 1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.096 0.129 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.179 1.597 1.726 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.157 2.278 0.441 1.00 0.00 H new ATOM 1596 N SER A 101 9.026 -0.483 -1.635 1.00 0.00 N ATOM 1597 CA SER A 101 7.891 -1.379 -1.444 1.00 0.00 C ATOM 1598 C SER A 101 8.296 -2.829 -1.692 1.00 0.00 C ATOM 1599 O SER A 101 7.580 -3.757 -1.319 1.00 0.00 O ATOM 1600 CB SER A 101 6.744 -0.991 -2.379 1.00 0.00 C ATOM 1601 OG SER A 101 6.296 0.328 -2.116 1.00 0.00 O ATOM 0 H SER A 101 8.919 0.175 -2.407 1.00 0.00 H new ATOM 0 HA SER A 101 7.556 -1.285 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.074 -1.067 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.917 -1.691 -2.256 1.00 0.00 H new ATOM 0 HG SER A 101 6.259 0.474 -1.148 1.00 0.00 H new ATOM 1607 N GLN A 102 9.450 -3.014 -2.326 1.00 0.00 N ATOM 1608 CA GLN A 102 9.951 -4.350 -2.625 1.00 0.00 C ATOM 1609 C GLN A 102 10.306 -5.098 -1.345 1.00 0.00 C ATOM 1610 O GLN A 102 10.546 -6.306 -1.366 1.00 0.00 O ATOM 1611 CB GLN A 102 11.176 -4.266 -3.537 1.00 0.00 C ATOM 1612 CG GLN A 102 10.843 -3.886 -4.971 1.00 0.00 C ATOM 1613 CD GLN A 102 12.078 -3.597 -5.800 1.00 0.00 C ATOM 1614 OE1 GLN A 102 12.343 -4.271 -6.796 1.00 0.00 O ATOM 1615 NE2 GLN A 102 12.842 -2.589 -5.394 1.00 0.00 N ATOM 0 H GLN A 102 10.055 -2.256 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 102 9.162 -4.900 -3.138 1.00 0.00 H new ATOM 0 HB2 GLN A 102 11.873 -3.534 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.687 -5.229 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.279 -4.695 -5.436 1.00 0.00 H new ATOM 0 HG3 GLN A 102 10.197 -3.008 -4.969 1.00 0.00 H new ATOM 0 HE21 GLN A 102 12.585 -2.057 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 102 13.686 -2.347 -5.914 1.00 0.00 H new ATOM 1624 N ARG A 103 10.338 -4.373 -0.231 1.00 0.00 N ATOM 1625 CA ARG A 103 10.666 -4.968 1.059 1.00 0.00 C ATOM 1626 C ARG A 103 9.399 -5.361 1.814 1.00 0.00 C ATOM 1627 O ARG A 103 9.452 -6.119 2.782 1.00 0.00 O ATOM 1628 CB ARG A 103 11.491 -3.993 1.900 1.00 0.00 C ATOM 1629 CG ARG A 103 12.954 -3.923 1.492 1.00 0.00 C ATOM 1630 CD ARG A 103 13.769 -3.100 2.477 1.00 0.00 C ATOM 1631 NE ARG A 103 14.055 -3.840 3.703 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.514 -3.273 4.813 1.00 0.00 C ATOM 1633 NH1 ARG A 103 14.737 -1.966 4.851 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.751 -4.013 5.889 1.00 0.00 N ATOM 0 H ARG A 103 10.141 -3.373 -0.196 1.00 0.00 H new ATOM 0 HA ARG A 103 11.254 -5.867 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.053 -2.998 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.428 -4.287 2.948 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.364 -4.931 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.035 -3.486 0.497 1.00 0.00 H new ATOM 0 HD2 ARG A 103 14.706 -2.798 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.227 -2.187 2.723 1.00 0.00 H new ATOM 0 HE ARG A 103 13.893 -4.847 3.707 1.00 0.00 H new ATOM 0 HH11 ARG A 103 14.556 -1.394 4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.089 -1.533 5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.581 -5.018 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.103 -3.576 6.741 1.00 0.00 H new ATOM 1648 N TYR A 104 8.263 -4.841 1.363 1.00 0.00 N ATOM 1649 CA TYR A 104 6.984 -5.135 1.998 1.00 0.00 C ATOM 1650 C TYR A 104 6.150 -6.074 1.132 1.00 0.00 C ATOM 1651 O TYR A 104 5.026 -6.432 1.488 1.00 0.00 O ATOM 1652 CB TYR A 104 6.210 -3.841 2.257 1.00 0.00 C ATOM 1653 CG TYR A 104 6.924 -2.884 3.185 1.00 0.00 C ATOM 1654 CD1 TYR A 104 7.983 -2.106 2.733 1.00 0.00 C ATOM 1655 CD2 TYR A 104 6.541 -2.759 4.515 1.00 0.00 C ATOM 1656 CE1 TYR A 104 8.638 -1.231 3.577 1.00 0.00 C ATOM 1657 CE2 TYR A 104 7.190 -1.886 5.366 1.00 0.00 C ATOM 1658 CZ TYR A 104 8.238 -1.124 4.893 1.00 0.00 C ATOM 1659 OH TYR A 104 8.888 -0.254 5.738 1.00 0.00 O ATOM 0 H TYR A 104 8.202 -4.214 0.561 1.00 0.00 H new ATOM 0 HA TYR A 104 7.184 -5.628 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.025 -3.342 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.237 -4.088 2.682 1.00 0.00 H new ATOM 0 HD1 TYR A 104 8.299 -2.187 1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 104 5.722 -3.355 4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 104 9.459 -0.634 3.209 1.00 0.00 H new ATOM 0 HE2 TYR A 104 6.879 -1.800 6.397 1.00 0.00 H new ATOM 0 HH TYR A 104 8.482 -0.299 6.629 1.00 0.00 H new ATOM 1669 N LEU A 105 6.708 -6.470 -0.007 1.00 0.00 N ATOM 1670 CA LEU A 105 6.017 -7.369 -0.925 1.00 0.00 C ATOM 1671 C LEU A 105 5.460 -8.581 -0.185 1.00 0.00 C ATOM 1672 O LEU A 105 6.213 -9.396 0.347 1.00 0.00 O ATOM 1673 CB LEU A 105 6.968 -7.827 -2.033 1.00 0.00 C ATOM 1674 CG LEU A 105 7.151 -6.860 -3.202 1.00 0.00 C ATOM 1675 CD1 LEU A 105 8.275 -7.329 -4.112 1.00 0.00 C ATOM 1676 CD2 LEU A 105 5.853 -6.717 -3.985 1.00 0.00 C ATOM 0 H LEU A 105 7.636 -6.183 -0.317 1.00 0.00 H new ATOM 0 HA LEU A 105 5.184 -6.824 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.945 -8.018 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.605 -8.777 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 105 7.420 -5.883 -2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.390 -6.628 -4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.205 -7.379 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.037 -8.317 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.002 -6.025 -4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.554 -7.690 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.072 -6.334 -3.328 1.00 0.00 H new ATOM 1688 N MET A 106 4.136 -8.692 -0.156 1.00 0.00 N ATOM 1689 CA MET A 106 3.478 -9.807 0.516 1.00 0.00 C ATOM 1690 C MET A 106 3.378 -11.016 -0.408 1.00 0.00 C ATOM 1691 O MET A 106 3.781 -12.121 -0.045 1.00 0.00 O ATOM 1692 CB MET A 106 2.082 -9.393 0.988 1.00 0.00 C ATOM 1693 CG MET A 106 2.095 -8.521 2.232 1.00 0.00 C ATOM 1694 SD MET A 106 0.630 -7.477 2.364 1.00 0.00 S ATOM 1695 CE MET A 106 -0.475 -8.558 3.268 1.00 0.00 C ATOM 0 H MET A 106 3.498 -8.024 -0.589 1.00 0.00 H new ATOM 0 HA MET A 106 4.079 -10.083 1.382 1.00 0.00 H new ATOM 0 HB2 MET A 106 1.580 -8.856 0.183 1.00 0.00 H new ATOM 0 HB3 MET A 106 1.495 -10.289 1.189 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.165 -9.156 3.115 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.985 -7.892 2.221 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.925 -8.009 4.095 1.00 0.00 H new ATOM 0 HE2 MET A 106 -1.259 -8.917 2.601 1.00 0.00 H new ATOM 0 HE3 MET A 106 0.086 -9.407 3.659 1.00 0.00 H new ATOM 1705 N ALA A 107 2.837 -10.800 -1.602 1.00 0.00 N ATOM 1706 CA ALA A 107 2.685 -11.872 -2.578 1.00 0.00 C ATOM 1707 C ALA A 107 3.980 -12.097 -3.351 1.00 0.00 C ATOM 1708 O ALA A 107 4.896 -11.278 -3.300 1.00 0.00 O ATOM 1709 CB ALA A 107 1.544 -11.558 -3.534 1.00 0.00 C ATOM 0 H ALA A 107 2.496 -9.892 -1.917 1.00 0.00 H new ATOM 0 HA ALA A 107 2.450 -12.790 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.442 -12.367 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.616 -11.455 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.755 -10.626 -4.059 1.00 0.00 H new ATOM 1715 N GLY A 108 4.049 -13.215 -4.069 1.00 0.00 N ATOM 1716 CA GLY A 108 5.236 -13.528 -4.842 1.00 0.00 C ATOM 1717 C GLY A 108 6.448 -13.782 -3.967 1.00 0.00 C ATOM 1718 O GLY A 108 6.599 -13.197 -2.894 1.00 0.00 O ATOM 0 H GLY A 108 3.304 -13.909 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.044 -14.408 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.450 -12.704 -5.523 1.00 0.00 H new ATOM 1722 N PRO A 109 7.337 -14.675 -4.426 1.00 0.00 N ATOM 1723 CA PRO A 109 8.556 -15.027 -3.693 1.00 0.00 C ATOM 1724 C PRO A 109 9.568 -13.886 -3.668 1.00 0.00 C ATOM 1725 O PRO A 109 10.390 -13.791 -2.758 1.00 0.00 O ATOM 1726 CB PRO A 109 9.112 -16.217 -4.478 1.00 0.00 C ATOM 1727 CG PRO A 109 8.574 -16.046 -5.857 1.00 0.00 C ATOM 1728 CD PRO A 109 7.221 -15.410 -5.697 1.00 0.00 C ATOM 0 HA PRO A 109 8.351 -15.248 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.202 -16.218 -4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 109 8.791 -17.163 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 109 9.232 -15.418 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 109 8.496 -17.006 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 109 6.990 -14.743 -6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 109 6.428 -16.157 -5.658 1.00 0.00 H new ATOM 1736 N GLY A 110 9.501 -13.020 -4.675 1.00 0.00 N ATOM 1737 CA GLY A 110 10.416 -11.896 -4.749 1.00 0.00 C ATOM 1738 C GLY A 110 10.512 -11.318 -6.147 1.00 0.00 C ATOM 1739 O GLY A 110 11.044 -11.957 -7.055 1.00 0.00 O ATOM 0 H GLY A 110 8.829 -13.077 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 110 10.088 -11.118 -4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.406 -12.215 -4.422 1.00 0.00 H new ATOM 1743 N SER A 111 9.995 -10.106 -6.322 1.00 0.00 N ATOM 1744 CA SER A 111 10.020 -9.444 -7.621 1.00 0.00 C ATOM 1745 C SER A 111 11.384 -8.812 -7.882 1.00 0.00 C ATOM 1746 O SER A 111 11.605 -7.640 -7.580 1.00 0.00 O ATOM 1747 CB SER A 111 8.928 -8.375 -7.693 1.00 0.00 C ATOM 1748 OG SER A 111 7.640 -8.964 -7.755 1.00 0.00 O ATOM 0 H SER A 111 9.554 -9.562 -5.580 1.00 0.00 H new ATOM 0 HA SER A 111 9.834 -10.196 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 111 8.993 -7.726 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.087 -7.747 -8.570 1.00 0.00 H new ATOM 0 HG SER A 111 7.361 -9.236 -6.856 1.00 0.00 H new ATOM 1754 N SER A 112 12.295 -9.599 -8.446 1.00 0.00 N ATOM 1755 CA SER A 112 13.639 -9.119 -8.746 1.00 0.00 C ATOM 1756 C SER A 112 13.797 -8.842 -10.238 1.00 0.00 C ATOM 1757 O SER A 112 14.383 -9.639 -10.970 1.00 0.00 O ATOM 1758 CB SER A 112 14.681 -10.143 -8.292 1.00 0.00 C ATOM 1759 OG SER A 112 14.975 -9.995 -6.914 1.00 0.00 O ATOM 0 H SER A 112 12.127 -10.571 -8.704 1.00 0.00 H new ATOM 0 HA SER A 112 13.795 -8.187 -8.203 1.00 0.00 H new ATOM 0 HB2 SER A 112 14.312 -11.151 -8.482 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.593 -10.022 -8.877 1.00 0.00 H new ATOM 0 HG SER A 112 15.642 -10.662 -6.648 1.00 0.00 H new ATOM 1765 N SER A 113 13.268 -7.706 -10.681 1.00 0.00 N ATOM 1766 CA SER A 113 13.346 -7.324 -12.087 1.00 0.00 C ATOM 1767 C SER A 113 12.629 -8.343 -12.967 1.00 0.00 C ATOM 1768 O SER A 113 13.102 -8.683 -14.051 1.00 0.00 O ATOM 1769 CB SER A 113 14.808 -7.196 -12.521 1.00 0.00 C ATOM 1770 OG SER A 113 15.479 -6.204 -11.765 1.00 0.00 O ATOM 0 H SER A 113 12.781 -7.034 -10.088 1.00 0.00 H new ATOM 0 HA SER A 113 12.853 -6.359 -12.205 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.312 -8.154 -12.398 1.00 0.00 H new ATOM 0 HB3 SER A 113 14.855 -6.944 -13.580 1.00 0.00 H new ATOM 0 HG SER A 113 16.411 -6.143 -12.060 1.00 0.00 H new ATOM 1776 N GLU A 114 11.486 -8.826 -12.492 1.00 0.00 N ATOM 1777 CA GLU A 114 10.704 -9.807 -13.235 1.00 0.00 C ATOM 1778 C GLU A 114 9.356 -9.225 -13.653 1.00 0.00 C ATOM 1779 O GLU A 114 8.387 -9.274 -12.897 1.00 0.00 O ATOM 1780 CB GLU A 114 10.489 -11.066 -12.392 1.00 0.00 C ATOM 1781 CG GLU A 114 10.105 -12.288 -13.210 1.00 0.00 C ATOM 1782 CD GLU A 114 11.312 -13.071 -13.689 1.00 0.00 C ATOM 1783 OE1 GLU A 114 12.329 -13.094 -12.965 1.00 0.00 O ATOM 1784 OE2 GLU A 114 11.240 -13.659 -14.788 1.00 0.00 O ATOM 0 H GLU A 114 11.081 -8.554 -11.596 1.00 0.00 H new ATOM 0 HA GLU A 114 11.261 -10.071 -14.134 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.402 -11.282 -11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 114 9.708 -10.872 -11.656 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.470 -12.938 -12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.515 -11.974 -14.071 1.00 0.00 H new ATOM 1791 N GLU A 115 9.305 -8.674 -14.861 1.00 0.00 N ATOM 1792 CA GLU A 115 8.077 -8.081 -15.379 1.00 0.00 C ATOM 1793 C GLU A 115 7.392 -9.023 -16.365 1.00 0.00 C ATOM 1794 O GLU A 115 7.976 -10.015 -16.800 1.00 0.00 O ATOM 1795 CB GLU A 115 8.377 -6.743 -16.059 1.00 0.00 C ATOM 1796 CG GLU A 115 8.685 -5.620 -15.083 1.00 0.00 C ATOM 1797 CD GLU A 115 9.070 -4.330 -15.781 1.00 0.00 C ATOM 1798 OE1 GLU A 115 10.094 -4.327 -16.497 1.00 0.00 O ATOM 1799 OE2 GLU A 115 8.349 -3.325 -15.611 1.00 0.00 O ATOM 0 H GLU A 115 10.099 -8.626 -15.499 1.00 0.00 H new ATOM 0 HA GLU A 115 7.404 -7.910 -14.539 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.224 -6.870 -16.733 1.00 0.00 H new ATOM 0 HB3 GLU A 115 7.522 -6.457 -16.671 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.813 -5.442 -14.453 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.497 -5.929 -14.424 1.00 0.00 H new ATOM 1806 N ASP A 116 6.150 -8.704 -16.712 1.00 0.00 N ATOM 1807 CA ASP A 116 5.384 -9.521 -17.647 1.00 0.00 C ATOM 1808 C ASP A 116 4.998 -8.714 -18.883 1.00 0.00 C ATOM 1809 O ASP A 116 4.847 -7.495 -18.817 1.00 0.00 O ATOM 1810 CB ASP A 116 4.128 -10.069 -16.968 1.00 0.00 C ATOM 1811 CG ASP A 116 3.449 -11.146 -17.790 1.00 0.00 C ATOM 1812 OD1 ASP A 116 2.740 -10.796 -18.756 1.00 0.00 O ATOM 1813 OD2 ASP A 116 3.625 -12.340 -17.466 1.00 0.00 O ATOM 0 H ASP A 116 5.652 -7.886 -16.360 1.00 0.00 H new ATOM 0 HA ASP A 116 6.011 -10.355 -17.961 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.394 -10.474 -15.992 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.427 -9.253 -16.794 1.00 0.00 H new ATOM 1818 N GLU A 117 4.842 -9.404 -20.008 1.00 0.00 N ATOM 1819 CA GLU A 117 4.476 -8.750 -21.259 1.00 0.00 C ATOM 1820 C GLU A 117 3.015 -8.310 -21.236 1.00 0.00 C ATOM 1821 O GLU A 117 2.685 -7.196 -21.641 1.00 0.00 O ATOM 1822 CB GLU A 117 4.718 -9.691 -22.442 1.00 0.00 C ATOM 1823 CG GLU A 117 6.169 -10.114 -22.596 1.00 0.00 C ATOM 1824 CD GLU A 117 6.330 -11.332 -23.485 1.00 0.00 C ATOM 1825 OE1 GLU A 117 6.042 -12.452 -23.016 1.00 0.00 O ATOM 1826 OE2 GLU A 117 6.744 -11.163 -24.652 1.00 0.00 O ATOM 0 H GLU A 117 4.963 -10.414 -20.079 1.00 0.00 H new ATOM 0 HA GLU A 117 5.102 -7.865 -21.373 1.00 0.00 H new ATOM 0 HB2 GLU A 117 4.100 -10.581 -22.320 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.392 -9.200 -23.359 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.743 -9.286 -23.013 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.587 -10.329 -21.613 1.00 0.00 H new ATOM 1833 N ALA A 118 2.144 -9.194 -20.760 1.00 0.00 N ATOM 1834 CA ALA A 118 0.720 -8.897 -20.682 1.00 0.00 C ATOM 1835 C ALA A 118 -0.027 -9.985 -19.917 1.00 0.00 C ATOM 1836 O ALA A 118 -0.063 -11.141 -20.338 1.00 0.00 O ATOM 1837 CB ALA A 118 0.137 -8.737 -22.078 1.00 0.00 C ATOM 0 H ALA A 118 2.400 -10.122 -20.423 1.00 0.00 H new ATOM 0 HA ALA A 118 0.599 -7.959 -20.140 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.928 -8.515 -22.004 1.00 0.00 H new ATOM 0 HB2 ALA A 118 0.643 -7.920 -22.592 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.277 -9.661 -22.639 1.00 0.00 H new ATOM 1843 N SER A 119 -0.621 -9.607 -18.789 1.00 0.00 N ATOM 1844 CA SER A 119 -1.363 -10.552 -17.962 1.00 0.00 C ATOM 1845 C SER A 119 -2.636 -11.009 -18.668 1.00 0.00 C ATOM 1846 O SER A 119 -3.345 -10.176 -19.232 1.00 0.00 O ATOM 1847 CB SER A 119 -1.713 -9.917 -16.615 1.00 0.00 C ATOM 1848 OG SER A 119 -0.543 -9.546 -15.907 1.00 0.00 O ATOM 0 H SER A 119 -0.603 -8.654 -18.427 1.00 0.00 H new ATOM 0 HA SER A 119 -0.730 -11.423 -17.792 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.339 -9.039 -16.775 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.295 -10.619 -16.019 1.00 0.00 H new ATOM 0 HG SER A 119 -0.794 -9.141 -15.050 1.00 0.00 H new ATOM 1854 N HIS A 120 -2.894 -12.307 -18.623 1.00 0.00 N ATOM 1855 CA HIS A 120 -4.078 -12.857 -19.261 1.00 0.00 C ATOM 1856 C HIS A 120 -5.109 -13.231 -18.194 1.00 0.00 C ATOM 1857 O HIS A 120 -5.003 -14.251 -17.513 1.00 0.00 O ATOM 1858 CB HIS A 120 -3.710 -14.034 -20.167 1.00 0.00 C ATOM 1859 CG HIS A 120 -2.780 -13.669 -21.299 1.00 0.00 C ATOM 1860 ND1 HIS A 120 -1.469 -14.110 -21.364 1.00 0.00 N ATOM 1861 CD2 HIS A 120 -2.984 -12.904 -22.410 1.00 0.00 C ATOM 1862 CE1 HIS A 120 -0.919 -13.624 -22.467 1.00 0.00 C ATOM 1863 NE2 HIS A 120 -1.859 -12.876 -23.113 1.00 0.00 N ATOM 0 H HIS A 120 -2.304 -12.994 -18.155 1.00 0.00 H new ATOM 0 HA HIS A 120 -4.530 -12.104 -19.906 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -3.243 -14.812 -19.563 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -4.624 -14.459 -20.583 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -3.905 -12.406 -22.673 1.00 0.00 H new ATOM 0 HE1 HIS A 120 0.096 -13.791 -22.797 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -1.720 -12.377 -23.992 1.00 0.00 H new ATOM 1871 N SER A 121 -6.117 -12.374 -18.062 1.00 0.00 N ATOM 1872 CA SER A 121 -7.179 -12.587 -17.086 1.00 0.00 C ATOM 1873 C SER A 121 -8.206 -13.586 -17.609 1.00 0.00 C ATOM 1874 O SER A 121 -8.533 -14.565 -16.940 1.00 0.00 O ATOM 1875 CB SER A 121 -7.865 -11.261 -16.750 1.00 0.00 C ATOM 1876 OG SER A 121 -8.388 -10.648 -17.916 1.00 0.00 O ATOM 0 H SER A 121 -6.220 -11.526 -18.619 1.00 0.00 H new ATOM 0 HA SER A 121 -6.730 -12.995 -16.181 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.669 -11.435 -16.035 1.00 0.00 H new ATOM 0 HB3 SER A 121 -7.152 -10.590 -16.271 1.00 0.00 H new ATOM 0 HG SER A 121 -8.823 -9.803 -17.675 1.00 0.00 H new ATOM 1882 N GLY A 122 -8.711 -13.331 -18.812 1.00 0.00 N ATOM 1883 CA GLY A 122 -9.696 -14.216 -19.406 1.00 0.00 C ATOM 1884 C GLY A 122 -11.080 -13.599 -19.447 1.00 0.00 C ATOM 1885 O GLY A 122 -11.375 -12.774 -20.311 1.00 0.00 O ATOM 0 H GLY A 122 -8.456 -12.527 -19.386 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -9.386 -14.472 -20.419 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -9.733 -15.146 -18.839 1.00 0.00 H new ATOM 1889 N GLY A 123 -11.933 -14.001 -18.510 1.00 0.00 N ATOM 1890 CA GLY A 123 -13.284 -13.473 -18.461 1.00 0.00 C ATOM 1891 C GLY A 123 -13.421 -12.317 -17.491 1.00 0.00 C ATOM 1892 O GLY A 123 -12.458 -11.944 -16.820 1.00 0.00 O ATOM 0 H GLY A 123 -11.713 -14.683 -17.784 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -13.578 -13.144 -19.458 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -13.971 -14.268 -18.173 1.00 0.00 H new ATOM 1896 N SER A 124 -14.619 -11.747 -17.416 1.00 0.00 N ATOM 1897 CA SER A 124 -14.877 -10.623 -16.524 1.00 0.00 C ATOM 1898 C SER A 124 -16.368 -10.493 -16.230 1.00 0.00 C ATOM 1899 O SER A 124 -17.185 -11.244 -16.762 1.00 0.00 O ATOM 1900 CB SER A 124 -14.352 -9.325 -17.141 1.00 0.00 C ATOM 1901 OG SER A 124 -12.939 -9.257 -17.062 1.00 0.00 O ATOM 0 H SER A 124 -15.427 -12.045 -17.963 1.00 0.00 H new ATOM 0 HA SER A 124 -14.355 -10.809 -15.585 1.00 0.00 H new ATOM 0 HB2 SER A 124 -14.664 -9.262 -18.183 1.00 0.00 H new ATOM 0 HB3 SER A 124 -14.790 -8.470 -16.625 1.00 0.00 H new ATOM 0 HG SER A 124 -12.580 -10.145 -16.855 1.00 0.00 H new ATOM 1907 N GLY A 125 -16.716 -9.534 -15.378 1.00 0.00 N ATOM 1908 CA GLY A 125 -18.108 -9.322 -15.026 1.00 0.00 C ATOM 1909 C GLY A 125 -18.559 -10.211 -13.884 1.00 0.00 C ATOM 1910 O GLY A 125 -18.104 -11.345 -13.734 1.00 0.00 O ATOM 0 H GLY A 125 -16.058 -8.900 -14.925 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -18.255 -8.278 -14.749 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -18.733 -9.511 -15.899 1.00 0.00 H new ATOM 1914 N PRO A 126 -19.475 -9.692 -13.052 1.00 0.00 N ATOM 1915 CA PRO A 126 -20.007 -10.430 -11.902 1.00 0.00 C ATOM 1916 C PRO A 126 -20.902 -11.591 -12.322 1.00 0.00 C ATOM 1917 O PRO A 126 -22.011 -11.385 -12.815 1.00 0.00 O ATOM 1918 CB PRO A 126 -20.820 -9.373 -11.149 1.00 0.00 C ATOM 1919 CG PRO A 126 -21.200 -8.376 -12.188 1.00 0.00 C ATOM 1920 CD PRO A 126 -20.062 -8.347 -13.171 1.00 0.00 C ATOM 0 HA PRO A 126 -19.215 -10.883 -11.306 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -21.701 -9.811 -10.680 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.232 -8.913 -10.355 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -22.132 -8.659 -12.678 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.358 -7.393 -11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -20.411 -8.149 -14.184 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.339 -7.570 -12.926 1.00 0.00 H new ATOM 1928 N SER A 127 -20.414 -12.811 -12.122 1.00 0.00 N ATOM 1929 CA SER A 127 -21.169 -14.005 -12.483 1.00 0.00 C ATOM 1930 C SER A 127 -21.091 -15.051 -11.376 1.00 0.00 C ATOM 1931 O SER A 127 -20.018 -15.326 -10.840 1.00 0.00 O ATOM 1932 CB SER A 127 -20.639 -14.592 -13.793 1.00 0.00 C ATOM 1933 OG SER A 127 -21.344 -15.770 -14.145 1.00 0.00 O ATOM 0 H SER A 127 -19.499 -12.999 -11.712 1.00 0.00 H new ATOM 0 HA SER A 127 -22.212 -13.719 -12.617 1.00 0.00 H new ATOM 0 HB2 SER A 127 -20.734 -13.855 -14.590 1.00 0.00 H new ATOM 0 HB3 SER A 127 -19.577 -14.816 -13.692 1.00 0.00 H new ATOM 0 HG SER A 127 -20.988 -16.125 -14.986 1.00 0.00 H new ATOM 1939 N SER A 128 -22.238 -15.632 -11.038 1.00 0.00 N ATOM 1940 CA SER A 128 -22.303 -16.646 -9.992 1.00 0.00 C ATOM 1941 C SER A 128 -21.385 -16.285 -8.828 1.00 0.00 C ATOM 1942 O SER A 128 -20.689 -17.141 -8.283 1.00 0.00 O ATOM 1943 CB SER A 128 -21.917 -18.015 -10.555 1.00 0.00 C ATOM 1944 OG SER A 128 -22.982 -18.577 -11.303 1.00 0.00 O ATOM 0 H SER A 128 -23.135 -15.418 -11.474 1.00 0.00 H new ATOM 0 HA SER A 128 -23.328 -16.688 -9.624 1.00 0.00 H new ATOM 0 HB2 SER A 128 -21.036 -17.916 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 128 -21.649 -18.685 -9.738 1.00 0.00 H new ATOM 0 HG SER A 128 -22.710 -19.451 -11.654 1.00 0.00 H new ATOM 1950 N GLY A 129 -21.388 -15.010 -8.453 1.00 0.00 N ATOM 1951 CA GLY A 129 -20.552 -14.557 -7.357 1.00 0.00 C ATOM 1952 C GLY A 129 -20.560 -13.048 -7.207 1.00 0.00 C ATOM 1953 O GLY A 129 -19.536 -12.444 -6.888 1.00 0.00 O ATOM 0 H GLY A 129 -21.955 -14.282 -8.889 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -20.896 -15.013 -6.429 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -19.529 -14.898 -7.519 1.00 0.00 H new TER 1957 GLY A 129