USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 782 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 Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 6 SER OG : rot -120:sc= -0.467 USER MOD Single : X 7 GLN : amide:sc=-0.000201 K(o=-0.0002,f=-1.5) USER MOD Single : X 8 HIS : no HD1:sc= -2.53! K(o=-2.5!,f=0.48) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc=-0.00398 K(o=-0.004,f=-1.5!) USER MOD Single : X 16 LYS NZ :NH3+ 144:sc= 0.206 (180deg=-1.28!) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -38:sc= 0.662 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot -8:sc= 0.634 USER MOD Single : X 42 CYS SG : rot 180:sc= -2.03 USER MOD Single : X 47 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.38) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 180:sc= 0 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -3.63! C(o=-3.6!,f=-8.4!) USER MOD Single : X 69 THR OG1 : rot 95:sc= 0.973 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.77 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.38) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ -159:sc= -0.0704 (180deg=-0.559) USER MOD Single : X 93 LYS NZ :NH3+ -160:sc= -0.0601 (180deg=-0.579) USER MOD ----------------------------------------------------------------- ATOM 27 N GLN X 3 70.183 -10.471 1.295 1.00 1.00 N ATOM 28 CA GLN X 3 70.819 -11.820 1.316 1.00 1.00 C ATOM 29 C GLN X 3 70.624 -12.453 2.694 1.00 1.00 C ATOM 30 O GLN X 3 70.377 -11.776 3.671 1.00 1.00 O ATOM 31 CB GLN X 3 72.315 -11.686 1.023 1.00 1.00 C ATOM 32 CG GLN X 3 72.514 -11.255 -0.433 1.00 1.00 C ATOM 33 CD GLN X 3 74.011 -11.124 -0.725 1.00 1.00 C ATOM 34 OE1 GLN X 3 74.835 -11.473 0.095 1.00 1.00 O ATOM 35 NE2 GLN X 3 74.398 -10.632 -1.870 1.00 1.00 N ATOM 0 HA GLN X 3 70.357 -12.451 0.557 1.00 1.00 H new ATOM 0 HB2 GLN X 3 72.764 -10.954 1.695 1.00 1.00 H new ATOM 0 HB3 GLN X 3 72.818 -12.636 1.204 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.064 -11.986 -1.105 1.00 1.00 H new ATOM 0 HG3 GLN X 3 72.012 -10.304 -0.614 1.00 1.00 H new ATOM 0 HE21 GLN X 3 73.706 -10.339 -2.559 1.00 1.00 H new ATOM 0 HE22 GLN X 3 75.393 -10.541 -2.076 1.00 1.00 H new ATOM 44 N GLU X 4 70.730 -13.751 2.779 1.00 1.00 N ATOM 45 CA GLU X 4 70.551 -14.429 4.093 1.00 1.00 C ATOM 46 C GLU X 4 71.627 -13.946 5.067 1.00 1.00 C ATOM 47 O GLU X 4 72.780 -13.797 4.712 1.00 1.00 O ATOM 48 CB GLU X 4 70.677 -15.943 3.906 1.00 1.00 C ATOM 49 CG GLU X 4 69.470 -16.464 3.124 1.00 1.00 C ATOM 50 CD GLU X 4 69.678 -17.942 2.786 1.00 1.00 C ATOM 51 OE1 GLU X 4 70.706 -18.476 3.169 1.00 1.00 O ATOM 52 OE2 GLU X 4 68.808 -18.512 2.151 1.00 1.00 O ATOM 0 H GLU X 4 70.933 -14.371 1.995 1.00 1.00 H new ATOM 0 HA GLU X 4 69.565 -14.192 4.493 1.00 1.00 H new ATOM 0 HB2 GLU X 4 71.598 -16.179 3.373 1.00 1.00 H new ATOM 0 HB3 GLU X 4 70.735 -16.436 4.876 1.00 1.00 H new ATOM 0 HG2 GLU X 4 68.561 -16.339 3.712 1.00 1.00 H new ATOM 0 HG3 GLU X 4 69.339 -15.886 2.209 1.00 1.00 H new ATOM 59 N LEU X 5 71.262 -13.703 6.295 1.00 1.00 N ATOM 60 CA LEU X 5 72.264 -13.233 7.293 1.00 1.00 C ATOM 61 C LEU X 5 73.118 -14.413 7.756 1.00 1.00 C ATOM 62 O LEU X 5 72.849 -15.027 8.770 1.00 1.00 O ATOM 63 CB LEU X 5 71.539 -12.624 8.497 1.00 1.00 C ATOM 64 CG LEU X 5 70.850 -11.324 8.077 1.00 1.00 C ATOM 65 CD1 LEU X 5 69.990 -10.805 9.231 1.00 1.00 C ATOM 66 CD2 LEU X 5 71.907 -10.273 7.717 1.00 1.00 C ATOM 0 H LEU X 5 70.312 -13.810 6.651 1.00 1.00 H new ATOM 0 HA LEU X 5 72.905 -12.480 6.835 1.00 1.00 H new ATOM 0 HB2 LEU X 5 70.803 -13.328 8.886 1.00 1.00 H new ATOM 0 HB3 LEU X 5 72.249 -12.428 9.301 1.00 1.00 H new ATOM 0 HG LEU X 5 70.219 -11.515 7.209 1.00 1.00 H new ATOM 0 HD11 LEU X 5 69.499 -9.879 8.931 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.236 -11.549 9.486 1.00 1.00 H new ATOM 0 HD13 LEU X 5 70.621 -10.617 10.099 1.00 1.00 H new ATOM 0 HD21 LEU X 5 71.414 -9.348 7.418 1.00 1.00 H new ATOM 0 HD22 LEU X 5 72.541 -10.083 8.583 1.00 1.00 H new ATOM 0 HD23 LEU X 5 72.519 -10.640 6.893 1.00 1.00 H new ATOM 78 N SER X 6 74.148 -14.734 7.021 1.00 1.00 N ATOM 79 CA SER X 6 75.023 -15.874 7.415 1.00 1.00 C ATOM 80 C SER X 6 76.000 -15.416 8.501 1.00 1.00 C ATOM 81 O SER X 6 76.082 -14.248 8.823 1.00 1.00 O ATOM 82 CB SER X 6 75.805 -16.364 6.200 1.00 1.00 C ATOM 83 OG SER X 6 76.482 -15.266 5.604 1.00 1.00 O ATOM 0 H SER X 6 74.421 -14.255 6.163 1.00 1.00 H new ATOM 0 HA SER X 6 74.407 -16.687 7.799 1.00 1.00 H new ATOM 0 HB2 SER X 6 76.521 -17.129 6.499 1.00 1.00 H new ATOM 0 HB3 SER X 6 75.129 -16.824 5.479 1.00 1.00 H new ATOM 0 HG SER X 6 76.177 -15.157 4.679 1.00 1.00 H new ATOM 89 N GLN X 7 76.737 -16.328 9.074 1.00 1.00 N ATOM 90 CA GLN X 7 77.700 -15.942 10.144 1.00 1.00 C ATOM 91 C GLN X 7 78.630 -14.847 9.621 1.00 1.00 C ATOM 92 O GLN X 7 78.909 -13.880 10.302 1.00 1.00 O ATOM 93 CB GLN X 7 78.529 -17.166 10.548 1.00 1.00 C ATOM 94 CG GLN X 7 79.384 -16.823 11.770 1.00 1.00 C ATOM 95 CD GLN X 7 80.152 -18.067 12.221 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.775 -19.177 11.905 1.00 1.00 O ATOM 97 NE2 GLN X 7 81.224 -17.927 12.953 1.00 1.00 N ATOM 0 H GLN X 7 76.714 -17.322 8.848 1.00 1.00 H new ATOM 0 HA GLN X 7 77.153 -15.571 11.010 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.871 -18.005 10.775 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.167 -17.476 9.720 1.00 1.00 H new ATOM 0 HG2 GLN X 7 80.081 -16.021 11.526 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.751 -16.460 12.580 1.00 1.00 H new ATOM 0 HE21 GLN X 7 81.542 -16.995 13.219 1.00 1.00 H new ATOM 0 HE22 GLN X 7 81.744 -18.750 13.259 1.00 1.00 H new ATOM 106 N HIS X 8 79.109 -14.987 8.415 1.00 1.00 N ATOM 107 CA HIS X 8 80.018 -13.949 7.849 1.00 1.00 C ATOM 108 C HIS X 8 79.230 -12.660 7.602 1.00 1.00 C ATOM 109 O HIS X 8 79.685 -11.576 7.905 1.00 1.00 O ATOM 110 CB HIS X 8 80.598 -14.449 6.525 1.00 1.00 C ATOM 111 CG HIS X 8 80.747 -15.943 6.576 1.00 1.00 C ATOM 112 ND1 HIS X 8 81.966 -16.560 6.826 1.00 1.00 N ATOM 113 CD2 HIS X 8 79.838 -16.960 6.413 1.00 1.00 C ATOM 114 CE1 HIS X 8 81.759 -17.890 6.805 1.00 1.00 C ATOM 115 NE2 HIS X 8 80.481 -18.184 6.559 1.00 1.00 N ATOM 0 H HIS X 8 78.911 -15.774 7.797 1.00 1.00 H new ATOM 0 HA HIS X 8 80.827 -13.753 8.552 1.00 1.00 H new ATOM 0 HB2 HIS X 8 79.945 -14.166 5.700 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.566 -13.982 6.340 1.00 1.00 H new ATOM 0 HD2 HIS X 8 78.787 -16.829 6.204 1.00 1.00 H new ATOM 0 HE1 HIS X 8 82.531 -18.627 6.967 1.00 1.00 H new ATOM 0 HE2 HIS X 8 80.063 -19.112 6.492 1.00 1.00 H new ATOM 123 N GLU X 9 78.048 -12.769 7.055 1.00 1.00 N ATOM 124 CA GLU X 9 77.234 -11.552 6.789 1.00 1.00 C ATOM 125 C GLU X 9 76.860 -10.887 8.115 1.00 1.00 C ATOM 126 O GLU X 9 76.812 -9.677 8.224 1.00 1.00 O ATOM 127 CB GLU X 9 75.962 -11.941 6.032 1.00 1.00 C ATOM 128 CG GLU X 9 76.322 -12.393 4.613 1.00 1.00 C ATOM 129 CD GLU X 9 76.907 -11.216 3.829 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.649 -10.089 4.217 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.607 -11.461 2.859 1.00 1.00 O ATOM 0 H GLU X 9 77.613 -13.650 6.782 1.00 1.00 H new ATOM 0 HA GLU X 9 77.813 -10.854 6.185 1.00 1.00 H new ATOM 0 HB2 GLU X 9 75.445 -12.743 6.559 1.00 1.00 H new ATOM 0 HB3 GLU X 9 75.278 -11.093 5.991 1.00 1.00 H new ATOM 0 HG2 GLU X 9 77.043 -13.210 4.653 1.00 1.00 H new ATOM 0 HG3 GLU X 9 75.435 -12.775 4.107 1.00 1.00 H new ATOM 138 N ARG X 10 76.597 -11.667 9.122 1.00 1.00 N ATOM 139 CA ARG X 10 76.237 -11.087 10.444 1.00 1.00 C ATOM 140 C ARG X 10 77.457 -10.398 11.058 1.00 1.00 C ATOM 141 O ARG X 10 77.348 -9.361 11.683 1.00 1.00 O ATOM 142 CB ARG X 10 75.751 -12.197 11.378 1.00 1.00 C ATOM 143 CG ARG X 10 74.368 -12.672 10.933 1.00 1.00 C ATOM 144 CD ARG X 10 73.914 -13.833 11.819 1.00 1.00 C ATOM 145 NE ARG X 10 72.522 -14.224 11.455 1.00 1.00 N ATOM 146 CZ ARG X 10 71.938 -15.213 12.075 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.574 -15.859 13.016 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.720 -15.555 11.757 1.00 1.00 N ATOM 0 H ARG X 10 76.616 -12.686 9.087 1.00 1.00 H new ATOM 0 HA ARG X 10 75.442 -10.354 10.308 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.454 -13.030 11.366 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.708 -11.830 12.404 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.653 -11.852 10.997 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.399 -12.988 9.890 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.586 -14.683 11.695 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.958 -13.542 12.868 1.00 1.00 H new ATOM 0 HE ARG X 10 72.026 -13.718 10.721 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.526 -15.590 13.265 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.119 -16.632 13.501 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.223 -15.049 11.023 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.264 -16.328 12.242 1.00 1.00 H new ATOM 162 N TYR X 11 78.615 -10.977 10.901 1.00 1.00 N ATOM 163 CA TYR X 11 79.838 -10.363 11.494 1.00 1.00 C ATOM 164 C TYR X 11 80.061 -8.976 10.890 1.00 1.00 C ATOM 165 O TYR X 11 80.266 -8.006 11.594 1.00 1.00 O ATOM 166 CB TYR X 11 81.049 -11.250 11.194 1.00 1.00 C ATOM 167 CG TYR X 11 82.300 -10.585 11.720 1.00 1.00 C ATOM 168 CD1 TYR X 11 82.534 -10.533 13.100 1.00 1.00 C ATOM 169 CD2 TYR X 11 83.224 -10.024 10.831 1.00 1.00 C ATOM 170 CE1 TYR X 11 83.693 -9.919 13.590 1.00 1.00 C ATOM 171 CE2 TYR X 11 84.383 -9.410 11.322 1.00 1.00 C ATOM 172 CZ TYR X 11 84.617 -9.357 12.701 1.00 1.00 C ATOM 173 OH TYR X 11 85.759 -8.752 13.185 1.00 1.00 O ATOM 0 H TYR X 11 78.768 -11.846 10.390 1.00 1.00 H new ATOM 0 HA TYR X 11 79.710 -10.271 12.573 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.921 -12.228 11.658 1.00 1.00 H new ATOM 0 HB3 TYR X 11 81.136 -11.415 10.120 1.00 1.00 H new ATOM 0 HD1 TYR X 11 81.821 -10.966 13.786 1.00 1.00 H new ATOM 0 HD2 TYR X 11 83.043 -10.065 9.767 1.00 1.00 H new ATOM 0 HE1 TYR X 11 83.874 -9.879 14.654 1.00 1.00 H new ATOM 0 HE2 TYR X 11 85.096 -8.977 10.636 1.00 1.00 H new ATOM 0 HH TYR X 11 86.293 -8.415 12.436 1.00 1.00 H new ATOM 183 N VAL X 12 80.013 -8.871 9.590 1.00 1.00 N ATOM 184 CA VAL X 12 80.218 -7.545 8.943 1.00 1.00 C ATOM 185 C VAL X 12 79.025 -6.641 9.251 1.00 1.00 C ATOM 186 O VAL X 12 79.165 -5.445 9.418 1.00 1.00 O ATOM 187 CB VAL X 12 80.350 -7.724 7.431 1.00 1.00 C ATOM 188 CG1 VAL X 12 81.606 -8.539 7.121 1.00 1.00 C ATOM 189 CG2 VAL X 12 79.122 -8.464 6.903 1.00 1.00 C ATOM 0 H VAL X 12 79.841 -9.645 8.949 1.00 1.00 H new ATOM 0 HA VAL X 12 81.129 -7.090 9.330 1.00 1.00 H new ATOM 0 HB VAL X 12 80.424 -6.747 6.953 1.00 1.00 H new ATOM 0 HG11 VAL X 12 81.700 -8.667 6.043 1.00 1.00 H new ATOM 0 HG12 VAL X 12 82.483 -8.015 7.502 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.532 -9.517 7.597 1.00 1.00 H new ATOM 0 HG21 VAL X 12 79.211 -8.594 5.825 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.052 -9.441 7.382 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.225 -7.886 7.126 1.00 1.00 H new ATOM 199 N GLU X 13 77.850 -7.202 9.322 1.00 1.00 N ATOM 200 CA GLU X 13 76.648 -6.377 9.616 1.00 1.00 C ATOM 201 C GLU X 13 76.788 -5.761 11.008 1.00 1.00 C ATOM 202 O GLU X 13 76.449 -4.617 11.224 1.00 1.00 O ATOM 203 CB GLU X 13 75.398 -7.259 9.573 1.00 1.00 C ATOM 204 CG GLU X 13 74.155 -6.395 9.799 1.00 1.00 C ATOM 205 CD GLU X 13 72.902 -7.268 9.715 1.00 1.00 C ATOM 206 OE1 GLU X 13 73.040 -8.478 9.792 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.826 -6.712 9.570 1.00 1.00 O ATOM 0 H GLU X 13 77.671 -8.197 9.189 1.00 1.00 H new ATOM 0 HA GLU X 13 76.558 -5.586 8.872 1.00 1.00 H new ATOM 0 HB2 GLU X 13 75.331 -7.766 8.611 1.00 1.00 H new ATOM 0 HB3 GLU X 13 75.460 -8.033 10.338 1.00 1.00 H new ATOM 0 HG2 GLU X 13 74.209 -5.911 10.774 1.00 1.00 H new ATOM 0 HG3 GLU X 13 74.109 -5.603 9.052 1.00 1.00 H new ATOM 214 N GLN X 14 77.288 -6.507 11.954 1.00 1.00 N ATOM 215 CA GLN X 14 77.449 -5.956 13.329 1.00 1.00 C ATOM 216 C GLN X 14 78.481 -4.830 13.297 1.00 1.00 C ATOM 217 O GLN X 14 78.358 -3.838 13.989 1.00 1.00 O ATOM 218 CB GLN X 14 77.926 -7.060 14.273 1.00 1.00 C ATOM 219 CG GLN X 14 77.914 -6.541 15.712 1.00 1.00 C ATOM 220 CD GLN X 14 78.274 -7.679 16.669 1.00 1.00 C ATOM 221 OE1 GLN X 14 78.124 -8.838 16.336 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.744 -7.397 17.852 1.00 1.00 N ATOM 0 H GLN X 14 77.592 -7.473 11.835 1.00 1.00 H new ATOM 0 HA GLN X 14 76.493 -5.570 13.684 1.00 1.00 H new ATOM 0 HB2 GLN X 14 77.280 -7.933 14.185 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.932 -7.379 13.998 1.00 1.00 H new ATOM 0 HG2 GLN X 14 78.625 -5.722 15.820 1.00 1.00 H new ATOM 0 HG3 GLN X 14 76.930 -6.143 15.958 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.870 -6.424 18.132 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.986 -8.149 18.497 1.00 1.00 H new ATOM 231 N LEU X 15 79.502 -4.978 12.498 1.00 1.00 N ATOM 232 CA LEU X 15 80.537 -3.918 12.429 1.00 1.00 C ATOM 233 C LEU X 15 79.898 -2.621 11.930 1.00 1.00 C ATOM 234 O LEU X 15 80.158 -1.549 12.441 1.00 1.00 O ATOM 235 CB LEU X 15 81.645 -4.344 11.458 1.00 1.00 C ATOM 236 CG LEU X 15 82.733 -3.265 11.404 1.00 1.00 C ATOM 237 CD1 LEU X 15 83.330 -3.072 12.799 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.832 -3.698 10.435 1.00 1.00 C ATOM 0 H LEU X 15 79.661 -5.785 11.894 1.00 1.00 H new ATOM 0 HA LEU X 15 80.964 -3.761 13.420 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.076 -5.292 11.778 1.00 1.00 H new ATOM 0 HB3 LEU X 15 81.228 -4.503 10.463 1.00 1.00 H new ATOM 0 HG LEU X 15 82.297 -2.326 11.063 1.00 1.00 H new ATOM 0 HD11 LEU X 15 84.104 -2.305 12.761 1.00 1.00 H new ATOM 0 HD12 LEU X 15 82.546 -2.763 13.491 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.766 -4.010 13.141 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.606 -2.931 10.396 1.00 1.00 H new ATOM 0 HD22 LEU X 15 84.268 -4.637 10.776 1.00 1.00 H new ATOM 0 HD23 LEU X 15 83.407 -3.835 9.441 1.00 1.00 H new ATOM 250 N LYS X 16 79.061 -2.715 10.935 1.00 1.00 N ATOM 251 CA LYS X 16 78.398 -1.495 10.397 1.00 1.00 C ATOM 252 C LYS X 16 77.552 -0.852 11.493 1.00 1.00 C ATOM 253 O LYS X 16 77.461 0.352 11.588 1.00 1.00 O ATOM 254 CB LYS X 16 77.499 -1.880 9.221 1.00 1.00 C ATOM 255 CG LYS X 16 76.905 -0.615 8.597 1.00 1.00 C ATOM 256 CD LYS X 16 76.023 -0.998 7.408 1.00 1.00 C ATOM 257 CE LYS X 16 75.428 0.268 6.784 1.00 1.00 C ATOM 258 NZ LYS X 16 74.580 -0.108 5.617 1.00 1.00 N ATOM 0 H LYS X 16 78.807 -3.587 10.470 1.00 1.00 H new ATOM 0 HA LYS X 16 79.156 -0.788 10.059 1.00 1.00 H new ATOM 0 HB2 LYS X 16 78.073 -2.431 8.476 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.701 -2.540 9.561 1.00 1.00 H new ATOM 0 HG2 LYS X 16 76.319 -0.072 9.338 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.703 0.052 8.271 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.609 -1.541 6.667 1.00 1.00 H new ATOM 0 HD3 LYS X 16 75.225 -1.665 7.734 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.833 0.806 7.522 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.225 0.940 6.467 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.757 0.525 5.568 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.136 -0.022 4.742 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 74.255 -1.090 5.726 1.00 1.00 H new ATOM 272 N GLN X 17 76.926 -1.642 12.320 1.00 1.00 N ATOM 273 CA GLN X 17 76.085 -1.062 13.402 1.00 1.00 C ATOM 274 C GLN X 17 76.947 -0.153 14.278 1.00 1.00 C ATOM 275 O GLN X 17 76.588 0.973 14.565 1.00 1.00 O ATOM 276 CB GLN X 17 75.508 -2.191 14.262 1.00 1.00 C ATOM 277 CG GLN X 17 74.495 -2.991 13.441 1.00 1.00 C ATOM 278 CD GLN X 17 73.934 -4.132 14.292 1.00 1.00 C ATOM 279 OE1 GLN X 17 74.277 -4.268 15.451 1.00 1.00 O ATOM 280 NE2 GLN X 17 73.078 -4.964 13.763 1.00 1.00 N ATOM 0 H GLN X 17 76.960 -2.661 12.293 1.00 1.00 H new ATOM 0 HA GLN X 17 75.271 -0.486 12.961 1.00 1.00 H new ATOM 0 HB2 GLN X 17 76.309 -2.845 14.608 1.00 1.00 H new ATOM 0 HB3 GLN X 17 75.028 -1.778 15.149 1.00 1.00 H new ATOM 0 HG2 GLN X 17 73.686 -2.340 13.108 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.971 -3.391 12.546 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.790 -4.850 12.791 1.00 1.00 H new ATOM 0 HE22 GLN X 17 72.697 -5.728 14.322 1.00 1.00 H new ATOM 289 N ALA X 18 78.089 -0.627 14.696 1.00 1.00 N ATOM 290 CA ALA X 18 78.979 0.213 15.546 1.00 1.00 C ATOM 291 C ALA X 18 79.534 1.370 14.714 1.00 1.00 C ATOM 292 O ALA X 18 79.640 2.488 15.175 1.00 1.00 O ATOM 293 CB ALA X 18 80.135 -0.639 16.070 1.00 1.00 C ATOM 0 H ALA X 18 78.444 -1.560 14.485 1.00 1.00 H new ATOM 0 HA ALA X 18 78.410 0.610 16.387 1.00 1.00 H new ATOM 0 HB1 ALA X 18 80.787 -0.025 16.692 1.00 1.00 H new ATOM 0 HB2 ALA X 18 79.740 -1.464 16.663 1.00 1.00 H new ATOM 0 HB3 ALA X 18 80.704 -1.036 15.230 1.00 1.00 H new ATOM 299 N LEU X 19 79.892 1.111 13.488 1.00 1.00 N ATOM 300 CA LEU X 19 80.439 2.197 12.630 1.00 1.00 C ATOM 301 C LEU X 19 79.363 3.261 12.413 1.00 1.00 C ATOM 302 O LEU X 19 79.638 4.441 12.389 1.00 1.00 O ATOM 303 CB LEU X 19 80.875 1.615 11.282 1.00 1.00 C ATOM 304 CG LEU X 19 81.592 2.689 10.463 1.00 1.00 C ATOM 305 CD1 LEU X 19 82.885 3.106 11.171 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.926 2.139 9.077 1.00 1.00 C ATOM 0 H LEU X 19 79.829 0.195 13.044 1.00 1.00 H new ATOM 0 HA LEU X 19 81.301 2.651 13.118 1.00 1.00 H new ATOM 0 HB2 LEU X 19 81.536 0.763 11.440 1.00 1.00 H new ATOM 0 HB3 LEU X 19 80.006 1.247 10.736 1.00 1.00 H new ATOM 0 HG LEU X 19 80.940 3.557 10.363 1.00 1.00 H new ATOM 0 HD11 LEU X 19 83.391 3.871 10.583 1.00 1.00 H new ATOM 0 HD12 LEU X 19 82.647 3.504 12.157 1.00 1.00 H new ATOM 0 HD13 LEU X 19 83.537 2.239 11.277 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.437 2.906 8.495 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.574 1.268 9.178 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.006 1.850 8.569 1.00 1.00 H new ATOM 318 N LYS X 20 78.140 2.850 12.244 1.00 1.00 N ATOM 319 CA LYS X 20 77.044 3.832 12.030 1.00 1.00 C ATOM 320 C LYS X 20 76.910 4.718 13.269 1.00 1.00 C ATOM 321 O LYS X 20 76.686 5.908 13.174 1.00 1.00 O ATOM 322 CB LYS X 20 75.727 3.087 11.793 1.00 1.00 C ATOM 323 CG LYS X 20 74.625 4.091 11.451 1.00 1.00 C ATOM 324 CD LYS X 20 73.309 3.349 11.214 1.00 1.00 C ATOM 325 CE LYS X 20 72.212 4.353 10.860 1.00 1.00 C ATOM 326 NZ LYS X 20 70.932 3.628 10.624 1.00 1.00 N ATOM 0 H LYS X 20 77.851 1.872 12.245 1.00 1.00 H new ATOM 0 HA LYS X 20 77.273 4.449 11.161 1.00 1.00 H new ATOM 0 HB2 LYS X 20 75.844 2.369 10.981 1.00 1.00 H new ATOM 0 HB3 LYS X 20 75.453 2.520 12.682 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.508 4.808 12.263 1.00 1.00 H new ATOM 0 HG3 LYS X 20 74.899 4.658 10.562 1.00 1.00 H new ATOM 0 HD2 LYS X 20 73.428 2.625 10.408 1.00 1.00 H new ATOM 0 HD3 LYS X 20 73.030 2.789 12.106 1.00 1.00 H new ATOM 0 HE2 LYS X 20 72.090 5.074 11.668 1.00 1.00 H new ATOM 0 HE3 LYS X 20 72.493 4.916 9.970 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 70.186 4.311 10.383 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.053 2.956 9.839 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 70.663 3.110 11.485 1.00 1.00 H new ATOM 340 N THR X 21 77.041 4.146 14.434 1.00 1.00 N ATOM 341 CA THR X 21 76.911 4.949 15.681 1.00 1.00 C ATOM 342 C THR X 21 78.002 6.020 15.707 1.00 1.00 C ATOM 343 O THR X 21 77.833 7.079 16.277 1.00 1.00 O ATOM 344 CB THR X 21 77.064 4.034 16.898 1.00 1.00 C ATOM 345 OG1 THR X 21 78.350 3.435 16.881 1.00 1.00 O ATOM 346 CG2 THR X 21 75.990 2.943 16.858 1.00 1.00 C ATOM 0 H THR X 21 77.233 3.154 14.576 1.00 1.00 H new ATOM 0 HA THR X 21 75.931 5.424 15.708 1.00 1.00 H new ATOM 0 HB THR X 21 76.949 4.621 17.809 1.00 1.00 H new ATOM 0 HG1 THR X 21 78.599 3.220 15.958 1.00 1.00 H new ATOM 0 HG21 THR X 21 76.100 2.292 17.725 1.00 1.00 H new ATOM 0 HG22 THR X 21 75.002 3.404 16.873 1.00 1.00 H new ATOM 0 HG23 THR X 21 76.102 2.355 15.947 1.00 1.00 H new ATOM 354 N ARG X 22 79.123 5.750 15.096 1.00 1.00 N ATOM 355 CA ARG X 22 80.223 6.752 15.083 1.00 1.00 C ATOM 356 C ARG X 22 79.820 7.943 14.218 1.00 1.00 C ATOM 357 O ARG X 22 80.407 9.004 14.302 1.00 1.00 O ATOM 358 CB ARG X 22 81.494 6.117 14.521 1.00 1.00 C ATOM 359 CG ARG X 22 82.069 5.134 15.541 1.00 1.00 C ATOM 360 CD ARG X 22 83.358 4.522 14.991 1.00 1.00 C ATOM 361 NE ARG X 22 83.917 3.563 15.985 1.00 1.00 N ATOM 362 CZ ARG X 22 84.670 3.997 16.960 1.00 1.00 C ATOM 363 NH1 ARG X 22 84.938 5.269 17.063 1.00 1.00 N ATOM 364 NH2 ARG X 22 85.157 3.154 17.830 1.00 1.00 N ATOM 0 H ARG X 22 79.324 4.878 14.606 1.00 1.00 H new ATOM 0 HA ARG X 22 80.412 7.091 16.101 1.00 1.00 H new ATOM 0 HB2 ARG X 22 81.272 5.600 13.587 1.00 1.00 H new ATOM 0 HB3 ARG X 22 82.228 6.889 14.291 1.00 1.00 H new ATOM 0 HG2 ARG X 22 82.270 5.646 16.482 1.00 1.00 H new ATOM 0 HG3 ARG X 22 81.343 4.349 15.754 1.00 1.00 H new ATOM 0 HD2 ARG X 22 83.157 4.011 14.050 1.00 1.00 H new ATOM 0 HD3 ARG X 22 84.084 5.307 14.779 1.00 1.00 H new ATOM 0 HE ARG X 22 83.712 2.567 15.904 1.00 1.00 H new ATOM 0 HH11 ARG X 22 84.559 5.927 16.382 1.00 1.00 H new ATOM 0 HH12 ARG X 22 85.526 5.606 17.825 1.00 1.00 H new ATOM 0 HH21 ARG X 22 84.949 2.159 17.747 1.00 1.00 H new ATOM 0 HH22 ARG X 22 85.745 3.491 18.592 1.00 1.00 H new ATOM 378 N GLY X 23 78.828 7.774 13.384 1.00 1.00 N ATOM 379 CA GLY X 23 78.383 8.896 12.508 1.00 1.00 C ATOM 380 C GLY X 23 78.640 8.532 11.048 1.00 1.00 C ATOM 381 O GLY X 23 79.135 9.334 10.283 1.00 1.00 O ATOM 0 H GLY X 23 78.306 6.905 13.272 1.00 1.00 H new ATOM 0 HA2 GLY X 23 77.323 9.095 12.663 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.920 9.809 12.767 1.00 1.00 H new ATOM 385 N VAL X 24 78.310 7.328 10.661 1.00 1.00 N ATOM 386 CA VAL X 24 78.532 6.900 9.249 1.00 1.00 C ATOM 387 C VAL X 24 77.208 6.446 8.643 1.00 1.00 C ATOM 388 O VAL X 24 76.452 5.735 9.262 1.00 1.00 O ATOM 389 CB VAL X 24 79.530 5.746 9.219 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.481 5.064 7.853 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.944 6.289 9.465 1.00 1.00 C ATOM 0 H VAL X 24 77.894 6.619 11.266 1.00 1.00 H new ATOM 0 HA VAL X 24 78.927 7.736 8.672 1.00 1.00 H new ATOM 0 HB VAL X 24 79.274 5.025 9.995 1.00 1.00 H new ATOM 0 HG11 VAL X 24 80.194 4.240 7.832 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.477 4.680 7.674 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.737 5.785 7.077 1.00 1.00 H new ATOM 0 HG21 VAL X 24 81.659 5.466 9.444 1.00 1.00 H new ATOM 0 HG22 VAL X 24 81.197 7.010 8.687 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.982 6.778 10.439 1.00 1.00 H new ATOM 401 N LYS X 25 76.922 6.856 7.437 1.00 1.00 N ATOM 402 CA LYS X 25 75.643 6.446 6.789 1.00 1.00 C ATOM 403 C LYS X 25 75.920 6.031 5.348 1.00 1.00 C ATOM 404 O LYS X 25 76.066 6.860 4.474 1.00 1.00 O ATOM 405 CB LYS X 25 74.671 7.620 6.803 1.00 1.00 C ATOM 406 CG LYS X 25 74.280 7.945 8.247 1.00 1.00 C ATOM 407 CD LYS X 25 73.179 9.009 8.254 1.00 1.00 C ATOM 408 CE LYS X 25 73.731 10.327 7.705 1.00 1.00 C ATOM 409 NZ LYS X 25 72.849 11.448 8.126 1.00 1.00 N ATOM 0 H LYS X 25 77.520 7.458 6.871 1.00 1.00 H new ATOM 0 HA LYS X 25 75.207 5.608 7.333 1.00 1.00 H new ATOM 0 HB2 LYS X 25 75.130 8.491 6.335 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.782 7.376 6.221 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.932 7.044 8.752 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.150 8.303 8.798 1.00 1.00 H new ATOM 0 HD2 LYS X 25 72.335 8.677 7.649 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.807 9.154 9.268 1.00 1.00 H new ATOM 0 HE2 LYS X 25 74.744 10.490 8.072 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.789 10.284 6.617 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 73.224 12.344 7.753 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 71.890 11.293 7.755 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 72.816 11.492 9.165 1.00 1.00 H new ATOM 423 N VAL X 26 76.010 4.751 5.097 1.00 1.00 N ATOM 424 CA VAL X 26 76.295 4.272 3.713 1.00 1.00 C ATOM 425 C VAL X 26 75.371 3.103 3.374 1.00 1.00 C ATOM 426 O VAL X 26 74.761 2.509 4.241 1.00 1.00 O ATOM 427 CB VAL X 26 77.753 3.820 3.622 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.679 5.038 3.697 1.00 1.00 C ATOM 429 CG2 VAL X 26 78.063 2.874 4.784 1.00 1.00 C ATOM 0 H VAL X 26 75.898 4.015 5.794 1.00 1.00 H new ATOM 0 HA VAL X 26 76.122 5.082 3.005 1.00 1.00 H new ATOM 0 HB VAL X 26 77.913 3.304 2.675 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.717 4.711 3.632 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.459 5.714 2.871 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.521 5.557 4.642 1.00 1.00 H new ATOM 0 HG21 VAL X 26 79.102 2.550 4.722 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.900 3.393 5.729 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.408 2.005 4.730 1.00 1.00 H new ATOM 439 N LYS X 27 75.259 2.772 2.117 1.00 1.00 N ATOM 440 CA LYS X 27 74.371 1.645 1.721 1.00 1.00 C ATOM 441 C LYS X 27 75.006 0.321 2.146 1.00 1.00 C ATOM 442 O LYS X 27 76.209 0.170 2.148 1.00 1.00 O ATOM 443 CB LYS X 27 74.176 1.656 0.203 1.00 1.00 C ATOM 444 CG LYS X 27 73.441 2.932 -0.209 1.00 1.00 C ATOM 445 CD LYS X 27 73.179 2.908 -1.716 1.00 1.00 C ATOM 446 CE LYS X 27 72.434 4.180 -2.126 1.00 1.00 C ATOM 447 NZ LYS X 27 72.235 4.185 -3.603 1.00 1.00 N ATOM 0 H LYS X 27 75.744 3.234 1.348 1.00 1.00 H new ATOM 0 HA LYS X 27 73.404 1.756 2.211 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.142 1.602 -0.299 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.607 0.780 -0.107 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.499 3.012 0.333 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.035 3.807 0.053 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.122 2.835 -2.258 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.591 2.029 -1.979 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.471 4.230 -1.618 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.000 5.060 -1.822 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 71.729 5.049 -3.882 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.160 4.157 -4.078 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.678 3.352 -3.881 1.00 1.00 H new ATOM 461 N TYR X 28 74.207 -0.641 2.514 1.00 1.00 N ATOM 462 CA TYR X 28 74.769 -1.951 2.946 1.00 1.00 C ATOM 463 C TYR X 28 75.520 -2.592 1.776 1.00 1.00 C ATOM 464 O TYR X 28 76.549 -3.220 1.950 1.00 1.00 O ATOM 465 CB TYR X 28 73.632 -2.875 3.393 1.00 1.00 C ATOM 466 CG TYR X 28 72.943 -2.280 4.598 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.906 -1.356 4.427 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.339 -2.656 5.888 1.00 1.00 C ATOM 469 CE1 TYR X 28 71.266 -0.805 5.543 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.699 -2.107 7.005 1.00 1.00 C ATOM 471 CZ TYR X 28 71.663 -1.181 6.833 1.00 1.00 C ATOM 472 OH TYR X 28 71.031 -0.639 7.935 1.00 1.00 O ATOM 0 H TYR X 28 73.189 -0.577 2.534 1.00 1.00 H new ATOM 0 HA TYR X 28 75.456 -1.796 3.778 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.917 -3.008 2.581 1.00 1.00 H new ATOM 0 HB3 TYR X 28 74.026 -3.862 3.636 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.599 -1.068 3.432 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.139 -3.370 6.021 1.00 1.00 H new ATOM 0 HE1 TYR X 28 70.467 -0.091 5.410 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.004 -2.398 7.999 1.00 1.00 H new ATOM 0 HH TYR X 28 71.427 -1.007 8.753 1.00 1.00 H new ATOM 482 N ALA X 29 75.012 -2.441 0.583 1.00 1.00 N ATOM 483 CA ALA X 29 75.692 -3.042 -0.597 1.00 1.00 C ATOM 484 C ALA X 29 77.132 -2.532 -0.670 1.00 1.00 C ATOM 485 O ALA X 29 78.030 -3.240 -1.078 1.00 1.00 O ATOM 486 CB ALA X 29 74.945 -2.645 -1.872 1.00 1.00 C ATOM 0 H ALA X 29 74.156 -1.927 0.376 1.00 1.00 H new ATOM 0 HA ALA X 29 75.696 -4.128 -0.501 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.442 -3.085 -2.737 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.918 -3.008 -1.820 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.942 -1.559 -1.969 1.00 1.00 H new ATOM 492 N ASP X 30 77.358 -1.308 -0.278 1.00 1.00 N ATOM 493 CA ASP X 30 78.740 -0.755 -0.329 1.00 1.00 C ATOM 494 C ASP X 30 79.648 -1.591 0.576 1.00 1.00 C ATOM 495 O ASP X 30 80.783 -1.871 0.243 1.00 1.00 O ATOM 496 CB ASP X 30 78.728 0.694 0.161 1.00 1.00 C ATOM 497 CG ASP X 30 78.012 1.574 -0.865 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.762 1.091 -1.957 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.721 2.714 -0.540 1.00 1.00 O ATOM 0 H ASP X 30 76.646 -0.668 0.075 1.00 1.00 H new ATOM 0 HA ASP X 30 79.111 -0.787 -1.353 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.225 0.759 1.126 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.748 1.047 0.310 1.00 1.00 H new ATOM 504 N LEU X 31 79.159 -1.995 1.716 1.00 1.00 N ATOM 505 CA LEU X 31 79.998 -2.819 2.631 1.00 1.00 C ATOM 506 C LEU X 31 80.361 -4.134 1.945 1.00 1.00 C ATOM 507 O LEU X 31 81.492 -4.581 1.996 1.00 1.00 O ATOM 508 CB LEU X 31 79.212 -3.112 3.915 1.00 1.00 C ATOM 509 CG LEU X 31 79.345 -1.931 4.879 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.790 -1.829 5.378 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.965 -0.637 4.153 1.00 1.00 C ATOM 0 H LEU X 31 78.218 -1.791 2.053 1.00 1.00 H new ATOM 0 HA LEU X 31 80.910 -2.275 2.877 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.162 -3.285 3.679 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.588 -4.021 4.384 1.00 1.00 H new ATOM 0 HG LEU X 31 78.680 -2.084 5.729 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.879 -0.987 6.064 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.062 -2.749 5.896 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.458 -1.679 4.530 1.00 1.00 H new ATOM 0 HD21 LEU X 31 79.059 0.206 4.838 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.630 -0.489 3.302 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.935 -0.706 3.802 1.00 1.00 H new ATOM 523 N LEU X 32 79.416 -4.753 1.294 1.00 1.00 N ATOM 524 CA LEU X 32 79.713 -6.035 0.593 1.00 1.00 C ATOM 525 C LEU X 32 80.730 -5.779 -0.522 1.00 1.00 C ATOM 526 O LEU X 32 81.656 -6.540 -0.719 1.00 1.00 O ATOM 527 CB LEU X 32 78.424 -6.595 -0.010 1.00 1.00 C ATOM 528 CG LEU X 32 77.477 -7.018 1.116 1.00 1.00 C ATOM 529 CD1 LEU X 32 76.123 -7.412 0.525 1.00 1.00 C ATOM 530 CD2 LEU X 32 78.071 -8.210 1.873 1.00 1.00 C ATOM 0 H LEU X 32 78.452 -4.428 1.217 1.00 1.00 H new ATOM 0 HA LEU X 32 80.124 -6.753 1.302 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.947 -5.843 -0.638 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.650 -7.448 -0.650 1.00 1.00 H new ATOM 0 HG LEU X 32 77.344 -6.184 1.805 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.449 -7.713 1.327 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.697 -6.561 -0.007 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.256 -8.243 -0.168 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.393 -8.507 2.673 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.209 -9.045 1.186 1.00 1.00 H new ATOM 0 HD23 LEU X 32 79.034 -7.927 2.299 1.00 1.00 H new ATOM 542 N LYS X 33 80.566 -4.710 -1.250 1.00 1.00 N ATOM 543 CA LYS X 33 81.525 -4.397 -2.346 1.00 1.00 C ATOM 544 C LYS X 33 82.893 -4.085 -1.742 1.00 1.00 C ATOM 545 O LYS X 33 83.912 -4.317 -2.347 1.00 1.00 O ATOM 546 CB LYS X 33 81.022 -3.192 -3.142 1.00 1.00 C ATOM 547 CG LYS X 33 79.740 -3.572 -3.887 1.00 1.00 C ATOM 548 CD LYS X 33 79.192 -2.345 -4.619 1.00 1.00 C ATOM 549 CE LYS X 33 77.942 -2.738 -5.408 1.00 1.00 C ATOM 550 NZ LYS X 33 77.426 -1.549 -6.145 1.00 1.00 N ATOM 0 H LYS X 33 79.808 -4.038 -1.133 1.00 1.00 H new ATOM 0 HA LYS X 33 81.610 -5.254 -3.015 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.831 -2.354 -2.472 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.784 -2.867 -3.850 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.944 -4.372 -4.599 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.998 -3.951 -3.185 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.951 -1.559 -3.903 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.948 -1.942 -5.292 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.178 -3.539 -6.108 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.177 -3.120 -4.732 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.576 -1.815 -6.682 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 77.186 -0.798 -5.467 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.156 -1.204 -6.801 1.00 1.00 H new ATOM 564 N PHE X 34 82.921 -3.538 -0.557 1.00 1.00 N ATOM 565 CA PHE X 34 84.229 -3.205 0.076 1.00 1.00 C ATOM 566 C PHE X 34 85.045 -4.482 0.269 1.00 1.00 C ATOM 567 O PHE X 34 86.199 -4.556 -0.107 1.00 1.00 O ATOM 568 CB PHE X 34 83.979 -2.558 1.441 1.00 1.00 C ATOM 569 CG PHE X 34 85.302 -2.240 2.101 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.171 -1.312 1.512 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.659 -2.873 3.297 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.397 -1.019 2.121 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.884 -2.578 3.906 1.00 1.00 C ATOM 574 CZ PHE X 34 87.754 -1.652 3.318 1.00 1.00 C ATOM 0 H PHE X 34 82.097 -3.308 -0.001 1.00 1.00 H new ATOM 0 HA PHE X 34 84.777 -2.516 -0.566 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.393 -1.647 1.321 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.398 -3.230 2.073 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.895 -0.823 0.589 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.989 -3.589 3.750 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.068 -0.304 1.667 1.00 1.00 H new ATOM 0 HE2 PHE X 34 87.158 -3.065 4.830 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.700 -1.426 3.787 1.00 1.00 H new ATOM 584 N PHE X 35 84.457 -5.493 0.850 1.00 1.00 N ATOM 585 CA PHE X 35 85.206 -6.763 1.065 1.00 1.00 C ATOM 586 C PHE X 35 85.611 -7.353 -0.286 1.00 1.00 C ATOM 587 O PHE X 35 86.739 -7.758 -0.485 1.00 1.00 O ATOM 588 CB PHE X 35 84.314 -7.761 1.807 1.00 1.00 C ATOM 589 CG PHE X 35 84.054 -7.259 3.206 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.075 -7.290 4.164 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.791 -6.760 3.547 1.00 1.00 C ATOM 592 CE1 PHE X 35 84.833 -6.824 5.462 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.549 -6.293 4.845 1.00 1.00 C ATOM 594 CZ PHE X 35 83.570 -6.326 5.802 1.00 1.00 C ATOM 0 H PHE X 35 83.493 -5.494 1.184 1.00 1.00 H new ATOM 0 HA PHE X 35 86.099 -6.561 1.656 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.372 -7.889 1.274 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.795 -8.738 1.843 1.00 1.00 H new ATOM 0 HD1 PHE X 35 86.050 -7.674 3.901 1.00 1.00 H new ATOM 0 HD2 PHE X 35 82.003 -6.735 2.809 1.00 1.00 H new ATOM 0 HE1 PHE X 35 85.621 -6.849 6.201 1.00 1.00 H new ATOM 0 HE2 PHE X 35 81.575 -5.908 5.107 1.00 1.00 H new ATOM 0 HZ PHE X 35 83.383 -5.967 6.803 1.00 1.00 H new ATOM 604 N ASP X 36 84.700 -7.405 -1.218 1.00 1.00 N ATOM 605 CA ASP X 36 85.035 -7.971 -2.553 1.00 1.00 C ATOM 606 C ASP X 36 86.066 -7.072 -3.237 1.00 1.00 C ATOM 607 O ASP X 36 86.962 -7.537 -3.904 1.00 1.00 O ATOM 608 CB ASP X 36 83.766 -8.043 -3.412 1.00 1.00 C ATOM 609 CG ASP X 36 82.986 -9.325 -3.080 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.484 -10.104 -2.286 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.907 -9.498 -3.622 1.00 1.00 O ATOM 0 H ASP X 36 83.739 -7.080 -1.112 1.00 1.00 H new ATOM 0 HA ASP X 36 85.446 -8.973 -2.433 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.142 -7.169 -3.229 1.00 1.00 H new ATOM 0 HB3 ASP X 36 84.030 -8.030 -4.469 1.00 1.00 H new ATOM 616 N PHE X 37 85.940 -5.785 -3.078 1.00 1.00 N ATOM 617 CA PHE X 37 86.906 -4.851 -3.718 1.00 1.00 C ATOM 618 C PHE X 37 88.312 -5.124 -3.183 1.00 1.00 C ATOM 619 O PHE X 37 89.269 -5.184 -3.929 1.00 1.00 O ATOM 620 CB PHE X 37 86.511 -3.406 -3.401 1.00 1.00 C ATOM 621 CG PHE X 37 87.488 -2.459 -4.063 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.524 -2.356 -5.458 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.352 -1.685 -3.280 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.427 -1.479 -6.072 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.254 -0.807 -3.894 1.00 1.00 C ATOM 626 CZ PHE X 37 89.292 -0.705 -5.290 1.00 1.00 C ATOM 0 H PHE X 37 85.206 -5.338 -2.529 1.00 1.00 H new ATOM 0 HA PHE X 37 86.892 -5.002 -4.797 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.499 -3.208 -3.755 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.508 -3.247 -2.323 1.00 1.00 H new ATOM 0 HD1 PHE X 37 86.856 -2.953 -6.061 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.323 -1.765 -2.203 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.456 -1.400 -7.149 1.00 1.00 H new ATOM 0 HE2 PHE X 37 89.920 -0.208 -3.291 1.00 1.00 H new ATOM 0 HZ PHE X 37 89.989 -0.029 -5.763 1.00 1.00 H new ATOM 636 N VAL X 38 88.447 -5.275 -1.893 1.00 1.00 N ATOM 637 CA VAL X 38 89.795 -5.523 -1.313 1.00 1.00 C ATOM 638 C VAL X 38 90.366 -6.829 -1.874 1.00 1.00 C ATOM 639 O VAL X 38 91.492 -6.880 -2.325 1.00 1.00 O ATOM 640 CB VAL X 38 89.679 -5.633 0.210 1.00 1.00 C ATOM 641 CG1 VAL X 38 91.039 -6.003 0.802 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.223 -4.291 0.785 1.00 1.00 C ATOM 0 H VAL X 38 87.683 -5.237 -1.218 1.00 1.00 H new ATOM 0 HA VAL X 38 90.458 -4.698 -1.573 1.00 1.00 H new ATOM 0 HB VAL X 38 88.951 -6.404 0.462 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.955 -6.081 1.886 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.366 -6.959 0.394 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.768 -5.233 0.549 1.00 1.00 H new ATOM 0 HG21 VAL X 38 89.140 -4.369 1.869 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.951 -3.520 0.531 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.253 -4.026 0.365 1.00 1.00 H new ATOM 652 N LYS X 39 89.597 -7.882 -1.858 1.00 1.00 N ATOM 653 CA LYS X 39 90.091 -9.180 -2.400 1.00 1.00 C ATOM 654 C LYS X 39 90.261 -9.049 -3.913 1.00 1.00 C ATOM 655 O LYS X 39 91.050 -9.704 -4.521 1.00 1.00 O ATOM 656 CB LYS X 39 89.084 -10.283 -2.080 1.00 1.00 C ATOM 657 CG LYS X 39 89.050 -10.520 -0.568 1.00 1.00 C ATOM 658 CD LYS X 39 87.991 -11.576 -0.241 1.00 1.00 C ATOM 659 CE LYS X 39 87.984 -11.844 1.265 1.00 1.00 C ATOM 660 NZ LYS X 39 86.977 -12.897 1.576 1.00 1.00 N ATOM 0 H LYS X 39 88.645 -7.900 -1.492 1.00 1.00 H new ATOM 0 HA LYS X 39 91.049 -9.435 -1.946 1.00 1.00 H new ATOM 0 HB2 LYS X 39 88.094 -10.001 -2.437 1.00 1.00 H new ATOM 0 HB3 LYS X 39 89.359 -11.202 -2.597 1.00 1.00 H new ATOM 0 HG2 LYS X 39 90.028 -10.850 -0.219 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.823 -9.589 -0.048 1.00 1.00 H new ATOM 0 HD2 LYS X 39 87.008 -11.233 -0.564 1.00 1.00 H new ATOM 0 HD3 LYS X 39 88.201 -12.497 -0.784 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.973 -12.163 1.593 1.00 1.00 H new ATOM 0 HE3 LYS X 39 87.748 -10.928 1.807 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 86.971 -13.080 2.600 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 86.034 -12.575 1.276 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 87.221 -13.772 1.069 1.00 1.00 H new ATOM 674 N ASP X 40 89.504 -8.213 -4.533 1.00 1.00 N ATOM 675 CA ASP X 40 89.628 -8.044 -6.001 1.00 1.00 C ATOM 676 C ASP X 40 90.849 -7.177 -6.322 1.00 1.00 C ATOM 677 O ASP X 40 91.319 -7.127 -7.443 1.00 1.00 O ATOM 678 CB ASP X 40 88.372 -7.372 -6.552 1.00 1.00 C ATOM 679 CG ASP X 40 87.178 -8.312 -6.396 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.391 -9.428 -5.950 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.074 -7.904 -6.714 1.00 1.00 O ATOM 0 H ASP X 40 88.795 -7.630 -4.088 1.00 1.00 H new ATOM 0 HA ASP X 40 89.747 -9.024 -6.462 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.184 -6.438 -6.022 1.00 1.00 H new ATOM 0 HB3 ASP X 40 88.514 -7.119 -7.603 1.00 1.00 H new ATOM 686 N THR X 41 91.306 -6.412 -5.366 1.00 1.00 N ATOM 687 CA THR X 41 92.425 -5.475 -5.647 1.00 1.00 C ATOM 688 C THR X 41 93.620 -6.205 -6.244 1.00 1.00 C ATOM 689 O THR X 41 94.046 -5.913 -7.343 1.00 1.00 O ATOM 690 CB THR X 41 92.864 -4.803 -4.337 1.00 1.00 C ATOM 691 OG1 THR X 41 91.718 -4.403 -3.598 1.00 1.00 O ATOM 692 CG2 THR X 41 93.721 -3.575 -4.649 1.00 1.00 C ATOM 0 H THR X 41 90.953 -6.397 -4.409 1.00 1.00 H new ATOM 0 HA THR X 41 92.074 -4.733 -6.364 1.00 1.00 H new ATOM 0 HB THR X 41 93.447 -5.512 -3.749 1.00 1.00 H new ATOM 0 HG1 THR X 41 90.915 -4.532 -4.145 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.030 -3.101 -3.717 1.00 1.00 H new ATOM 0 HG22 THR X 41 94.603 -3.880 -5.211 1.00 1.00 H new ATOM 0 HG23 THR X 41 93.141 -2.867 -5.241 1.00 1.00 H new ATOM 700 N CYS X 42 94.172 -7.131 -5.529 1.00 1.00 N ATOM 701 CA CYS X 42 95.363 -7.857 -6.040 1.00 1.00 C ATOM 702 C CYS X 42 94.973 -9.236 -6.572 1.00 1.00 C ATOM 703 O CYS X 42 95.300 -9.589 -7.695 1.00 1.00 O ATOM 704 CB CYS X 42 96.378 -8.025 -4.898 1.00 1.00 C ATOM 705 SG CYS X 42 96.973 -9.743 -4.859 1.00 1.00 S ATOM 0 H CYS X 42 93.851 -7.422 -4.606 1.00 1.00 H new ATOM 0 HA CYS X 42 95.800 -7.280 -6.855 1.00 1.00 H new ATOM 0 HB2 CYS X 42 97.216 -7.342 -5.039 1.00 1.00 H new ATOM 0 HB3 CYS X 42 95.915 -7.768 -3.945 1.00 1.00 H new ATOM 0 HG CYS X 42 97.833 -9.883 -3.894 1.00 1.00 H new ATOM 711 N PRO X 43 94.306 -10.027 -5.767 1.00 1.00 N ATOM 712 CA PRO X 43 93.929 -11.414 -6.142 1.00 1.00 C ATOM 713 C PRO X 43 93.340 -11.502 -7.546 1.00 1.00 C ATOM 714 O PRO X 43 93.672 -12.388 -8.308 1.00 1.00 O ATOM 715 CB PRO X 43 92.886 -11.798 -5.091 1.00 1.00 C ATOM 716 CG PRO X 43 93.250 -10.998 -3.886 1.00 1.00 C ATOM 717 CD PRO X 43 93.822 -9.687 -4.412 1.00 1.00 C ATOM 0 HA PRO X 43 94.794 -12.078 -6.162 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.877 -11.565 -5.431 1.00 1.00 H new ATOM 0 HB3 PRO X 43 92.912 -12.867 -4.879 1.00 1.00 H new ATOM 0 HG2 PRO X 43 92.377 -10.819 -3.258 1.00 1.00 H new ATOM 0 HG3 PRO X 43 93.981 -11.525 -3.273 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.064 -8.905 -4.444 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.631 -9.322 -3.779 1.00 1.00 H new ATOM 725 N TRP X 44 92.480 -10.587 -7.905 1.00 1.00 N ATOM 726 CA TRP X 44 91.887 -10.618 -9.271 1.00 1.00 C ATOM 727 C TRP X 44 90.989 -9.399 -9.456 1.00 1.00 C ATOM 728 O TRP X 44 90.174 -9.104 -8.623 1.00 1.00 O ATOM 729 CB TRP X 44 91.067 -11.897 -9.453 1.00 1.00 C ATOM 730 CG TRP X 44 89.626 -11.601 -9.218 1.00 1.00 C ATOM 731 CD1 TRP X 44 88.784 -11.059 -10.128 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.839 -11.821 -8.012 1.00 1.00 C ATOM 733 NE1 TRP X 44 87.531 -10.931 -9.557 1.00 1.00 N ATOM 734 CE2 TRP X 44 87.514 -11.388 -8.253 1.00 1.00 C ATOM 735 CE3 TRP X 44 89.143 -12.349 -6.744 1.00 1.00 C ATOM 736 CZ2 TRP X 44 86.526 -11.475 -7.272 1.00 1.00 C ATOM 737 CZ3 TRP X 44 88.151 -12.439 -5.754 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.845 -12.002 -6.018 1.00 1.00 C ATOM 0 H TRP X 44 92.163 -9.820 -7.311 1.00 1.00 H new ATOM 0 HA TRP X 44 92.684 -10.601 -10.014 1.00 1.00 H new ATOM 0 HB2 TRP X 44 91.209 -12.292 -10.459 1.00 1.00 H new ATOM 0 HB3 TRP X 44 91.410 -12.663 -8.758 1.00 1.00 H new ATOM 0 HD1 TRP X 44 89.047 -10.773 -11.136 1.00 1.00 H new ATOM 0 HE1 TRP X 44 86.719 -10.546 -10.039 1.00 1.00 H new ATOM 0 HE3 TRP X 44 90.146 -12.687 -6.530 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 85.522 -11.137 -7.480 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 88.395 -12.847 -4.784 1.00 1.00 H new ATOM 0 HH2 TRP X 44 86.086 -12.073 -5.253 1.00 1.00 H new ATOM 749 N PHE X 45 91.131 -8.694 -10.546 1.00 1.00 N ATOM 750 CA PHE X 45 90.284 -7.493 -10.778 1.00 1.00 C ATOM 751 C PHE X 45 89.194 -7.816 -11.827 1.00 1.00 C ATOM 752 O PHE X 45 89.482 -7.907 -13.006 1.00 1.00 O ATOM 753 CB PHE X 45 91.143 -6.345 -11.291 1.00 1.00 C ATOM 754 CG PHE X 45 91.196 -5.254 -10.240 1.00 1.00 C ATOM 755 CD1 PHE X 45 90.015 -4.654 -9.787 1.00 1.00 C ATOM 756 CD2 PHE X 45 92.431 -4.849 -9.718 1.00 1.00 C ATOM 757 CE1 PHE X 45 90.068 -3.651 -8.813 1.00 1.00 C ATOM 758 CE2 PHE X 45 92.484 -3.844 -8.745 1.00 1.00 C ATOM 759 CZ PHE X 45 91.303 -3.245 -8.292 1.00 1.00 C ATOM 0 H PHE X 45 91.800 -8.901 -11.287 1.00 1.00 H new ATOM 0 HA PHE X 45 89.814 -7.206 -9.837 1.00 1.00 H new ATOM 0 HB2 PHE X 45 92.149 -6.700 -11.515 1.00 1.00 H new ATOM 0 HB3 PHE X 45 90.729 -5.952 -12.220 1.00 1.00 H new ATOM 0 HD1 PHE X 45 89.063 -4.966 -10.190 1.00 1.00 H new ATOM 0 HD2 PHE X 45 93.342 -5.312 -10.066 1.00 1.00 H new ATOM 0 HE1 PHE X 45 89.156 -3.190 -8.463 1.00 1.00 H new ATOM 0 HE2 PHE X 45 93.437 -3.531 -8.344 1.00 1.00 H new ATOM 0 HZ PHE X 45 91.344 -2.470 -7.541 1.00 1.00 H new ATOM 769 N PRO X 46 87.960 -7.975 -11.407 1.00 1.00 N ATOM 770 CA PRO X 46 86.828 -8.259 -12.326 1.00 1.00 C ATOM 771 C PRO X 46 86.269 -6.979 -12.958 1.00 1.00 C ATOM 772 O PRO X 46 86.888 -5.933 -12.917 1.00 1.00 O ATOM 773 CB PRO X 46 85.778 -8.902 -11.417 1.00 1.00 C ATOM 774 CG PRO X 46 86.054 -8.384 -10.041 1.00 1.00 C ATOM 775 CD PRO X 46 87.509 -7.910 -10.013 1.00 1.00 C ATOM 0 HA PRO X 46 87.129 -8.891 -13.161 1.00 1.00 H new ATOM 0 HB2 PRO X 46 84.770 -8.640 -11.738 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.849 -9.989 -11.447 1.00 1.00 H new ATOM 0 HG2 PRO X 46 85.379 -7.564 -9.797 1.00 1.00 H new ATOM 0 HG3 PRO X 46 85.890 -9.164 -9.297 1.00 1.00 H new ATOM 0 HD2 PRO X 46 87.586 -6.896 -9.621 1.00 1.00 H new ATOM 0 HD3 PRO X 46 88.119 -8.547 -9.372 1.00 1.00 H new ATOM 783 N GLN X 47 85.098 -7.051 -13.529 1.00 1.00 N ATOM 784 CA GLN X 47 84.493 -5.836 -14.146 1.00 1.00 C ATOM 785 C GLN X 47 83.643 -5.107 -13.103 1.00 1.00 C ATOM 786 O GLN X 47 82.728 -5.668 -12.535 1.00 1.00 O ATOM 787 CB GLN X 47 83.611 -6.249 -15.326 1.00 1.00 C ATOM 788 CG GLN X 47 84.481 -6.858 -16.428 1.00 1.00 C ATOM 789 CD GLN X 47 85.452 -5.801 -16.958 1.00 1.00 C ATOM 790 OE1 GLN X 47 85.046 -4.714 -17.319 1.00 1.00 O ATOM 791 NE2 GLN X 47 86.727 -6.074 -17.014 1.00 1.00 N ATOM 0 H GLN X 47 84.534 -7.898 -13.595 1.00 1.00 H new ATOM 0 HA GLN X 47 85.283 -5.174 -14.499 1.00 1.00 H new ATOM 0 HB2 GLN X 47 82.863 -6.971 -14.999 1.00 1.00 H new ATOM 0 HB3 GLN X 47 83.072 -5.383 -15.711 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.035 -7.712 -16.038 1.00 1.00 H new ATOM 0 HG3 GLN X 47 83.853 -7.228 -17.238 1.00 1.00 H new ATOM 0 HE21 GLN X 47 87.067 -6.987 -16.711 1.00 1.00 H new ATOM 0 HE22 GLN X 47 87.384 -5.375 -17.361 1.00 1.00 H new ATOM 800 N GLU X 48 83.945 -3.862 -12.845 1.00 1.00 N ATOM 801 CA GLU X 48 83.161 -3.096 -11.832 1.00 1.00 C ATOM 802 C GLU X 48 82.074 -2.279 -12.531 1.00 1.00 C ATOM 803 O GLU X 48 82.191 -1.940 -13.691 1.00 1.00 O ATOM 804 CB GLU X 48 84.095 -2.158 -11.067 1.00 1.00 C ATOM 805 CG GLU X 48 83.301 -1.411 -9.993 1.00 1.00 C ATOM 806 CD GLU X 48 84.265 -0.637 -9.094 1.00 1.00 C ATOM 807 OE1 GLU X 48 85.421 -0.515 -9.464 1.00 1.00 O ATOM 808 OE2 GLU X 48 83.830 -0.181 -8.049 1.00 1.00 O ATOM 0 H GLU X 48 84.701 -3.342 -13.292 1.00 1.00 H new ATOM 0 HA GLU X 48 82.695 -3.792 -11.135 1.00 1.00 H new ATOM 0 HB2 GLU X 48 84.903 -2.727 -10.607 1.00 1.00 H new ATOM 0 HB3 GLU X 48 84.556 -1.448 -11.753 1.00 1.00 H new ATOM 0 HG2 GLU X 48 82.592 -0.726 -10.459 1.00 1.00 H new ATOM 0 HG3 GLU X 48 82.719 -2.116 -9.399 1.00 1.00 H new ATOM 815 N GLY X 49 81.013 -1.966 -11.832 1.00 1.00 N ATOM 816 CA GLY X 49 79.912 -1.176 -12.455 1.00 1.00 C ATOM 817 C GLY X 49 79.998 0.279 -11.999 1.00 1.00 C ATOM 818 O GLY X 49 80.702 1.076 -12.586 1.00 1.00 O ATOM 0 H GLY X 49 80.863 -2.224 -10.857 1.00 1.00 H new ATOM 0 HA2 GLY X 49 79.982 -1.231 -13.541 1.00 1.00 H new ATOM 0 HA3 GLY X 49 78.946 -1.598 -12.176 1.00 1.00 H new ATOM 822 N THR X 50 79.285 0.632 -10.963 1.00 1.00 N ATOM 823 CA THR X 50 79.320 2.039 -10.468 1.00 1.00 C ATOM 824 C THR X 50 79.552 2.041 -8.962 1.00 1.00 C ATOM 825 O THR X 50 78.974 1.253 -8.240 1.00 1.00 O ATOM 826 CB THR X 50 77.993 2.729 -10.786 1.00 1.00 C ATOM 827 OG1 THR X 50 77.873 2.897 -12.192 1.00 1.00 O ATOM 828 CG2 THR X 50 77.946 4.094 -10.097 1.00 1.00 C ATOM 0 H THR X 50 78.678 0.004 -10.436 1.00 1.00 H new ATOM 0 HA THR X 50 80.130 2.577 -10.960 1.00 1.00 H new ATOM 0 HB THR X 50 77.168 2.116 -10.423 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.022 3.338 -12.397 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.999 4.584 -10.325 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.035 3.961 -9.019 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.770 4.711 -10.456 1.00 1.00 H new ATOM 836 N ILE X 51 80.394 2.917 -8.482 1.00 1.00 N ATOM 837 CA ILE X 51 80.666 2.968 -7.019 1.00 1.00 C ATOM 838 C ILE X 51 80.118 4.280 -6.445 1.00 1.00 C ATOM 839 O ILE X 51 80.242 5.333 -7.038 1.00 1.00 O ATOM 840 CB ILE X 51 82.180 2.887 -6.782 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.452 2.093 -5.498 1.00 1.00 C ATOM 842 CG2 ILE X 51 82.771 4.299 -6.647 1.00 1.00 C ATOM 843 CD1 ILE X 51 81.713 2.730 -4.318 1.00 1.00 C ATOM 0 H ILE X 51 80.905 3.600 -9.042 1.00 1.00 H new ATOM 0 HA ILE X 51 80.178 2.129 -6.523 1.00 1.00 H new ATOM 0 HB ILE X 51 82.648 2.387 -7.630 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.128 1.060 -5.625 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.523 2.069 -5.296 1.00 1.00 H new ATOM 0 HG21 ILE X 51 83.846 4.229 -6.479 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.582 4.861 -7.562 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.305 4.810 -5.804 1.00 1.00 H new ATOM 0 HD11 ILE X 51 81.913 2.158 -3.412 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.058 3.755 -4.184 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.641 2.731 -4.517 1.00 1.00 H new ATOM 855 N ASP X 52 79.525 4.230 -5.287 1.00 1.00 N ATOM 856 CA ASP X 52 78.991 5.475 -4.669 1.00 1.00 C ATOM 857 C ASP X 52 80.153 6.386 -4.250 1.00 1.00 C ATOM 858 O ASP X 52 81.137 5.944 -3.693 1.00 1.00 O ATOM 859 CB ASP X 52 78.163 5.107 -3.432 1.00 1.00 C ATOM 860 CG ASP X 52 76.792 4.582 -3.871 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.497 4.675 -5.050 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.065 4.094 -3.021 1.00 1.00 O ATOM 0 H ASP X 52 79.386 3.380 -4.740 1.00 1.00 H new ATOM 0 HA ASP X 52 78.365 5.999 -5.391 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.683 4.350 -2.845 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.041 5.980 -2.790 1.00 1.00 H new ATOM 867 N ILE X 53 80.042 7.660 -4.513 1.00 1.00 N ATOM 868 CA ILE X 53 81.137 8.597 -4.133 1.00 1.00 C ATOM 869 C ILE X 53 81.158 8.770 -2.612 1.00 1.00 C ATOM 870 O ILE X 53 82.177 9.054 -2.023 1.00 1.00 O ATOM 871 CB ILE X 53 80.896 9.955 -4.794 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.972 9.803 -6.315 1.00 1.00 C ATOM 873 CG2 ILE X 53 81.967 10.944 -4.332 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.447 11.074 -6.984 1.00 1.00 C ATOM 0 H ILE X 53 79.241 8.092 -4.974 1.00 1.00 H new ATOM 0 HA ILE X 53 82.093 8.192 -4.466 1.00 1.00 H new ATOM 0 HB ILE X 53 79.910 10.325 -4.512 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.002 9.617 -6.621 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.384 8.942 -6.634 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.796 11.912 -4.803 1.00 1.00 H new ATOM 0 HG22 ILE X 53 81.918 11.054 -3.249 1.00 1.00 H new ATOM 0 HG23 ILE X 53 82.952 10.572 -4.615 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.502 10.964 -8.067 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.411 11.240 -6.688 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.053 11.925 -6.674 1.00 1.00 H new ATOM 886 N LYS X 54 80.036 8.608 -1.972 1.00 1.00 N ATOM 887 CA LYS X 54 80.000 8.767 -0.492 1.00 1.00 C ATOM 888 C LYS X 54 80.854 7.682 0.166 1.00 1.00 C ATOM 889 O LYS X 54 81.568 7.932 1.117 1.00 1.00 O ATOM 890 CB LYS X 54 78.556 8.643 0.001 1.00 1.00 C ATOM 891 CG LYS X 54 77.749 9.856 -0.465 1.00 1.00 C ATOM 892 CD LYS X 54 76.353 9.815 0.162 1.00 1.00 C ATOM 893 CE LYS X 54 75.583 8.603 -0.369 1.00 1.00 C ATOM 894 NZ LYS X 54 74.121 8.835 -0.214 1.00 1.00 N ATOM 0 H LYS X 54 79.144 8.373 -2.407 1.00 1.00 H new ATOM 0 HA LYS X 54 80.395 9.748 -0.228 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.108 7.726 -0.382 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.537 8.577 1.089 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.260 10.776 -0.181 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.671 9.858 -1.552 1.00 1.00 H new ATOM 0 HD2 LYS X 54 76.433 9.760 1.248 1.00 1.00 H new ATOM 0 HD3 LYS X 54 75.812 10.732 -0.071 1.00 1.00 H new ATOM 0 HE2 LYS X 54 75.826 8.436 -1.418 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.879 7.705 0.173 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 73.599 8.011 -0.575 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 73.896 8.974 0.792 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 73.845 9.682 -0.751 1.00 1.00 H new ATOM 908 N PHE X 55 80.768 6.474 -0.318 1.00 1.00 N ATOM 909 CA PHE X 55 81.553 5.366 0.292 1.00 1.00 C ATOM 910 C PHE X 55 83.018 5.476 -0.128 1.00 1.00 C ATOM 911 O PHE X 55 83.891 4.877 0.468 1.00 1.00 O ATOM 912 CB PHE X 55 80.980 4.023 -0.162 1.00 1.00 C ATOM 913 CG PHE X 55 81.570 2.912 0.674 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.092 2.680 1.969 1.00 1.00 C ATOM 915 CD2 PHE X 55 82.594 2.113 0.151 1.00 1.00 C ATOM 916 CE1 PHE X 55 81.637 1.647 2.742 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.139 1.080 0.924 1.00 1.00 C ATOM 918 CZ PHE X 55 82.662 0.848 2.220 1.00 1.00 C ATOM 0 H PHE X 55 80.186 6.206 -1.112 1.00 1.00 H new ATOM 0 HA PHE X 55 81.490 5.435 1.378 1.00 1.00 H new ATOM 0 HB2 PHE X 55 79.894 4.028 -0.065 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.205 3.858 -1.216 1.00 1.00 H new ATOM 0 HD1 PHE X 55 80.303 3.298 2.372 1.00 1.00 H new ATOM 0 HD2 PHE X 55 82.963 2.293 -0.848 1.00 1.00 H new ATOM 0 HE1 PHE X 55 81.267 1.467 3.740 1.00 1.00 H new ATOM 0 HE2 PHE X 55 83.927 0.462 0.520 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.084 0.053 2.817 1.00 1.00 H new ATOM 928 N TRP X 56 83.294 6.229 -1.155 1.00 1.00 N ATOM 929 CA TRP X 56 84.699 6.368 -1.614 1.00 1.00 C ATOM 930 C TRP X 56 85.555 6.967 -0.499 1.00 1.00 C ATOM 931 O TRP X 56 86.700 6.602 -0.320 1.00 1.00 O ATOM 932 CB TRP X 56 84.756 7.274 -2.847 1.00 1.00 C ATOM 933 CG TRP X 56 86.179 7.616 -3.154 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.225 6.767 -3.035 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.728 8.878 -3.631 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.381 7.427 -3.409 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.127 8.731 -3.784 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.155 10.124 -3.942 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.929 9.783 -4.230 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.959 11.186 -4.390 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.343 11.014 -4.534 1.00 1.00 C ATOM 0 H TRP X 56 82.606 6.753 -1.695 1.00 1.00 H new ATOM 0 HA TRP X 56 85.085 5.382 -1.873 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.300 6.772 -3.701 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.183 8.184 -2.669 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.167 5.741 -2.702 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.308 7.002 -3.408 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.090 10.266 -3.836 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.995 9.646 -4.339 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.509 12.139 -4.624 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.956 11.833 -4.880 1.00 1.00 H new ATOM 952 N ARG X 57 85.015 7.892 0.243 1.00 1.00 N ATOM 953 CA ARG X 57 85.808 8.525 1.333 1.00 1.00 C ATOM 954 C ARG X 57 86.259 7.456 2.329 1.00 1.00 C ATOM 955 O ARG X 57 87.398 7.431 2.750 1.00 1.00 O ATOM 956 CB ARG X 57 84.937 9.554 2.058 1.00 1.00 C ATOM 957 CG ARG X 57 84.714 10.766 1.152 1.00 1.00 C ATOM 958 CD ARG X 57 83.238 11.170 1.194 1.00 1.00 C ATOM 959 NE ARG X 57 82.821 11.382 2.609 1.00 1.00 N ATOM 960 CZ ARG X 57 83.083 12.513 3.207 1.00 1.00 C ATOM 961 NH1 ARG X 57 83.707 13.462 2.564 1.00 1.00 N ATOM 962 NH2 ARG X 57 82.719 12.694 4.447 1.00 1.00 N ATOM 0 H ARG X 57 84.060 8.237 0.142 1.00 1.00 H new ATOM 0 HA ARG X 57 86.683 9.015 0.907 1.00 1.00 H new ATOM 0 HB2 ARG X 57 83.980 9.109 2.329 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.418 9.864 2.985 1.00 1.00 H new ATOM 0 HG2 ARG X 57 85.339 11.597 1.478 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.008 10.528 0.130 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.083 12.082 0.617 1.00 1.00 H new ATOM 0 HD3 ARG X 57 82.624 10.395 0.735 1.00 1.00 H new ATOM 0 HE ARG X 57 82.330 10.642 3.111 1.00 1.00 H new ATOM 0 HH11 ARG X 57 83.990 13.320 1.594 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.912 14.345 3.031 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.230 11.952 4.948 1.00 1.00 H new ATOM 0 HH22 ARG X 57 82.923 13.577 4.915 1.00 1.00 H new ATOM 976 N ARG X 58 85.381 6.569 2.702 1.00 1.00 N ATOM 977 CA ARG X 58 85.764 5.501 3.667 1.00 1.00 C ATOM 978 C ARG X 58 86.819 4.593 3.037 1.00 1.00 C ATOM 979 O ARG X 58 87.750 4.174 3.687 1.00 1.00 O ATOM 980 CB ARG X 58 84.531 4.675 4.030 1.00 1.00 C ATOM 981 CG ARG X 58 83.627 5.483 4.964 1.00 1.00 C ATOM 982 CD ARG X 58 82.185 5.414 4.467 1.00 1.00 C ATOM 983 NE ARG X 58 81.288 6.096 5.440 1.00 1.00 N ATOM 984 CZ ARG X 58 81.121 7.389 5.383 1.00 1.00 C ATOM 985 NH1 ARG X 58 81.740 8.088 4.471 1.00 1.00 N ATOM 986 NH2 ARG X 58 80.336 7.984 6.239 1.00 1.00 N ATOM 0 H ARG X 58 84.414 6.537 2.380 1.00 1.00 H new ATOM 0 HA ARG X 58 86.173 5.959 4.568 1.00 1.00 H new ATOM 0 HB2 ARG X 58 83.986 4.401 3.127 1.00 1.00 H new ATOM 0 HB3 ARG X 58 84.833 3.746 4.514 1.00 1.00 H new ATOM 0 HG2 ARG X 58 83.692 5.090 5.979 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.960 6.520 5.002 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.104 5.888 3.489 1.00 1.00 H new ATOM 0 HD3 ARG X 58 81.881 4.374 4.344 1.00 1.00 H new ATOM 0 HE ARG X 58 80.803 5.551 6.153 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.355 7.624 3.802 1.00 1.00 H new ATOM 0 HH12 ARG X 58 81.609 9.099 4.427 1.00 1.00 H new ATOM 0 HH21 ARG X 58 79.853 7.438 6.953 1.00 1.00 H new ATOM 0 HH22 ARG X 58 80.206 8.995 6.194 1.00 1.00 H new ATOM 1000 N VAL X 59 86.677 4.283 1.780 1.00 1.00 N ATOM 1001 CA VAL X 59 87.673 3.400 1.111 1.00 1.00 C ATOM 1002 C VAL X 59 89.037 4.088 1.097 1.00 1.00 C ATOM 1003 O VAL X 59 90.052 3.476 1.364 1.00 1.00 O ATOM 1004 CB VAL X 59 87.221 3.119 -0.323 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.399 2.570 -1.131 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.090 2.085 -0.310 1.00 1.00 C ATOM 0 H VAL X 59 85.913 4.603 1.185 1.00 1.00 H new ATOM 0 HA VAL X 59 87.751 2.459 1.656 1.00 1.00 H new ATOM 0 HB VAL X 59 86.865 4.043 -0.778 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.077 2.370 -2.153 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.206 3.303 -1.142 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.754 1.646 -0.675 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.768 1.885 -1.332 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.447 1.161 0.145 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.249 2.472 0.266 1.00 1.00 H new ATOM 1016 N GLY X 60 89.070 5.353 0.784 1.00 1.00 N ATOM 1017 CA GLY X 60 90.370 6.078 0.754 1.00 1.00 C ATOM 1018 C GLY X 60 90.985 6.085 2.155 1.00 1.00 C ATOM 1019 O GLY X 60 92.153 5.804 2.333 1.00 1.00 O ATOM 0 H GLY X 60 88.253 5.916 0.548 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.050 5.598 0.050 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.220 7.100 0.406 1.00 1.00 H new ATOM 1023 N ASP X 61 90.208 6.405 3.153 1.00 1.00 N ATOM 1024 CA ASP X 61 90.751 6.429 4.540 1.00 1.00 C ATOM 1025 C ASP X 61 91.092 5.005 4.982 1.00 1.00 C ATOM 1026 O ASP X 61 92.113 4.764 5.597 1.00 1.00 O ATOM 1027 CB ASP X 61 89.702 7.024 5.488 1.00 1.00 C ATOM 1028 CG ASP X 61 89.799 8.555 5.478 1.00 1.00 C ATOM 1029 OD1 ASP X 61 90.902 9.056 5.335 1.00 1.00 O ATOM 1030 OD2 ASP X 61 88.770 9.197 5.613 1.00 1.00 O ATOM 0 H ASP X 61 89.222 6.651 3.068 1.00 1.00 H new ATOM 0 HA ASP X 61 91.653 7.040 4.566 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.704 6.712 5.182 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.857 6.648 6.499 1.00 1.00 H new ATOM 1035 N CYS X 62 90.246 4.061 4.679 1.00 1.00 N ATOM 1036 CA CYS X 62 90.520 2.657 5.090 1.00 1.00 C ATOM 1037 C CYS X 62 91.796 2.161 4.407 1.00 1.00 C ATOM 1038 O CYS X 62 92.698 1.661 5.047 1.00 1.00 O ATOM 1039 CB CYS X 62 89.346 1.766 4.674 1.00 1.00 C ATOM 1040 SG CYS X 62 88.096 1.764 5.982 1.00 1.00 S ATOM 0 H CYS X 62 89.377 4.201 4.164 1.00 1.00 H new ATOM 0 HA CYS X 62 90.647 2.616 6.172 1.00 1.00 H new ATOM 0 HB2 CYS X 62 88.912 2.129 3.742 1.00 1.00 H new ATOM 0 HB3 CYS X 62 89.695 0.750 4.488 1.00 1.00 H new ATOM 0 HG CYS X 62 87.098 1.009 5.628 1.00 1.00 H new ATOM 1046 N PHE X 63 91.881 2.301 3.114 1.00 1.00 N ATOM 1047 CA PHE X 63 93.099 1.832 2.392 1.00 1.00 C ATOM 1048 C PHE X 63 94.330 2.535 2.958 1.00 1.00 C ATOM 1049 O PHE X 63 95.350 1.922 3.197 1.00 1.00 O ATOM 1050 CB PHE X 63 92.964 2.153 0.902 1.00 1.00 C ATOM 1051 CG PHE X 63 92.306 0.991 0.190 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.279 0.274 0.815 1.00 1.00 C ATOM 1053 CD2 PHE X 63 92.727 0.633 -1.096 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.673 -0.801 0.155 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.122 -0.442 -1.756 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.095 -1.160 -1.132 1.00 1.00 C ATOM 0 H PHE X 63 91.161 2.719 2.525 1.00 1.00 H new ATOM 0 HA PHE X 63 93.207 0.755 2.522 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.372 3.058 0.767 1.00 1.00 H new ATOM 0 HB3 PHE X 63 93.946 2.348 0.471 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.954 0.551 1.807 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.519 1.187 -1.579 1.00 1.00 H new ATOM 0 HE1 PHE X 63 89.880 -1.354 0.637 1.00 1.00 H new ATOM 0 HE2 PHE X 63 92.448 -0.718 -2.748 1.00 1.00 H new ATOM 0 HZ PHE X 63 90.628 -1.990 -1.642 1.00 1.00 H new ATOM 1066 N GLN X 64 94.244 3.815 3.177 1.00 1.00 N ATOM 1067 CA GLN X 64 95.411 4.554 3.729 1.00 1.00 C ATOM 1068 C GLN X 64 95.844 3.914 5.050 1.00 1.00 C ATOM 1069 O GLN X 64 97.019 3.786 5.333 1.00 1.00 O ATOM 1070 CB GLN X 64 95.020 6.014 3.974 1.00 1.00 C ATOM 1071 CG GLN X 64 96.218 6.779 4.541 1.00 1.00 C ATOM 1072 CD GLN X 64 95.871 8.265 4.652 1.00 1.00 C ATOM 1073 OE1 GLN X 64 94.901 8.629 5.286 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.629 9.146 4.057 1.00 1.00 N ATOM 0 H GLN X 64 93.416 4.382 2.998 1.00 1.00 H new ATOM 0 HA GLN X 64 96.236 4.512 3.018 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.690 6.474 3.042 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.182 6.065 4.669 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.485 6.383 5.521 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.086 6.645 3.896 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.444 8.841 3.524 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.406 10.139 4.125 1.00 1.00 H new ATOM 1083 N ASP X 65 94.905 3.526 5.868 1.00 1.00 N ATOM 1084 CA ASP X 65 95.267 2.911 7.177 1.00 1.00 C ATOM 1085 C ASP X 65 95.948 1.563 6.932 1.00 1.00 C ATOM 1086 O ASP X 65 96.946 1.240 7.546 1.00 1.00 O ATOM 1087 CB ASP X 65 94.000 2.701 8.007 1.00 1.00 C ATOM 1088 CG ASP X 65 93.661 3.993 8.759 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.281 5.003 8.469 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.785 3.951 9.608 1.00 1.00 O ATOM 0 H ASP X 65 93.904 3.608 5.688 1.00 1.00 H new ATOM 0 HA ASP X 65 95.948 3.570 7.716 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.171 2.417 7.359 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.147 1.884 8.714 1.00 1.00 H new ATOM 1095 N TYR X 66 95.424 0.780 6.030 1.00 1.00 N ATOM 1096 CA TYR X 66 96.044 -0.541 5.735 1.00 1.00 C ATOM 1097 C TYR X 66 97.454 -0.325 5.185 1.00 1.00 C ATOM 1098 O TYR X 66 98.355 -1.099 5.440 1.00 1.00 O ATOM 1099 CB TYR X 66 95.202 -1.287 4.699 1.00 1.00 C ATOM 1100 CG TYR X 66 93.972 -1.856 5.368 1.00 1.00 C ATOM 1101 CD1 TYR X 66 94.101 -2.876 6.318 1.00 1.00 C ATOM 1102 CD2 TYR X 66 92.702 -1.365 5.038 1.00 1.00 C ATOM 1103 CE1 TYR X 66 92.963 -3.406 6.937 1.00 1.00 C ATOM 1104 CE2 TYR X 66 91.564 -1.895 5.657 1.00 1.00 C ATOM 1105 CZ TYR X 66 91.694 -2.916 6.607 1.00 1.00 C ATOM 1106 OH TYR X 66 90.573 -3.438 7.217 1.00 1.00 O ATOM 0 H TYR X 66 94.591 0.999 5.484 1.00 1.00 H new ATOM 0 HA TYR X 66 96.093 -1.131 6.650 1.00 1.00 H new ATOM 0 HB2 TYR X 66 94.912 -0.611 3.895 1.00 1.00 H new ATOM 0 HB3 TYR X 66 95.787 -2.088 4.247 1.00 1.00 H new ATOM 0 HD1 TYR X 66 95.080 -3.254 6.574 1.00 1.00 H new ATOM 0 HD2 TYR X 66 92.601 -0.577 4.306 1.00 1.00 H new ATOM 0 HE1 TYR X 66 93.064 -4.193 7.669 1.00 1.00 H new ATOM 0 HE2 TYR X 66 90.585 -1.516 5.402 1.00 1.00 H new ATOM 0 HH TYR X 66 89.774 -2.986 6.875 1.00 1.00 H new ATOM 1116 N TYR X 67 97.651 0.714 4.419 1.00 1.00 N ATOM 1117 CA TYR X 67 99.004 0.967 3.849 1.00 1.00 C ATOM 1118 C TYR X 67 100.020 1.129 4.977 1.00 1.00 C ATOM 1119 O TYR X 67 101.013 0.439 5.033 1.00 1.00 O ATOM 1120 CB TYR X 67 98.968 2.252 3.017 1.00 1.00 C ATOM 1121 CG TYR X 67 100.339 2.885 3.008 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.407 2.235 2.378 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.543 4.122 3.633 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.679 2.820 2.373 1.00 1.00 C ATOM 1125 CE2 TYR X 67 101.815 4.708 3.627 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.882 4.057 2.997 1.00 1.00 C ATOM 1127 OH TYR X 67 104.137 4.632 2.992 1.00 1.00 O ATOM 0 H TYR X 67 96.936 1.396 4.164 1.00 1.00 H new ATOM 0 HA TYR X 67 99.293 0.124 3.221 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.652 2.029 1.998 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.238 2.947 3.433 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.250 1.282 1.896 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.720 4.624 4.119 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.503 2.318 1.888 1.00 1.00 H new ATOM 0 HE2 TYR X 67 101.973 5.662 4.108 1.00 1.00 H new ATOM 0 HH TYR X 67 104.106 5.489 3.467 1.00 1.00 H new ATOM 1137 N ASN X 68 99.776 2.027 5.884 1.00 1.00 N ATOM 1138 CA ASN X 68 100.724 2.220 7.015 1.00 1.00 C ATOM 1139 C ASN X 68 100.752 0.966 7.885 1.00 1.00 C ATOM 1140 O ASN X 68 101.767 0.611 8.452 1.00 1.00 O ATOM 1141 CB ASN X 68 100.288 3.424 7.854 1.00 1.00 C ATOM 1142 CG ASN X 68 100.701 4.719 7.150 1.00 1.00 C ATOM 1143 OD1 ASN X 68 101.503 4.697 6.237 1.00 1.00 O ATOM 1144 ND2 ASN X 68 100.187 5.853 7.541 1.00 1.00 N ATOM 0 H ASN X 68 98.960 2.638 5.893 1.00 1.00 H new ATOM 0 HA ASN X 68 101.723 2.402 6.619 1.00 1.00 H new ATOM 0 HB2 ASN X 68 99.208 3.406 8.000 1.00 1.00 H new ATOM 0 HB3 ASN X 68 100.744 3.375 8.843 1.00 1.00 H new ATOM 0 HD21 ASN X 68 100.458 6.722 7.080 1.00 1.00 H new ATOM 0 HD22 ASN X 68 99.514 5.871 8.307 1.00 1.00 H new ATOM 1151 N THR X 69 99.635 0.305 8.018 1.00 1.00 N ATOM 1152 CA THR X 69 99.591 -0.914 8.868 1.00 1.00 C ATOM 1153 C THR X 69 100.489 -1.996 8.276 1.00 1.00 C ATOM 1154 O THR X 69 101.287 -2.594 8.970 1.00 1.00 O ATOM 1155 CB THR X 69 98.152 -1.433 8.943 1.00 1.00 C ATOM 1156 OG1 THR X 69 97.281 -0.363 9.278 1.00 1.00 O ATOM 1157 CG2 THR X 69 98.054 -2.526 10.009 1.00 1.00 C ATOM 0 H THR X 69 98.752 0.558 7.574 1.00 1.00 H new ATOM 0 HA THR X 69 99.944 -0.663 9.868 1.00 1.00 H new ATOM 0 HB THR X 69 97.865 -1.847 7.976 1.00 1.00 H new ATOM 0 HG1 THR X 69 96.899 0.016 8.459 1.00 1.00 H new ATOM 0 HG21 THR X 69 97.029 -2.893 10.060 1.00 1.00 H new ATOM 0 HG22 THR X 69 98.722 -3.348 9.750 1.00 1.00 H new ATOM 0 HG23 THR X 69 98.341 -2.117 10.977 1.00 1.00 H new ATOM 1165 N PHE X 70 100.357 -2.257 7.003 1.00 1.00 N ATOM 1166 CA PHE X 70 101.194 -3.313 6.364 1.00 1.00 C ATOM 1167 C PHE X 70 102.131 -2.682 5.338 1.00 1.00 C ATOM 1168 O PHE X 70 103.324 -2.909 5.356 1.00 1.00 O ATOM 1169 CB PHE X 70 100.278 -4.318 5.663 1.00 1.00 C ATOM 1170 CG PHE X 70 99.624 -5.214 6.690 1.00 1.00 C ATOM 1171 CD1 PHE X 70 100.330 -6.304 7.214 1.00 1.00 C ATOM 1172 CD2 PHE X 70 98.317 -4.954 7.119 1.00 1.00 C ATOM 1173 CE1 PHE X 70 99.728 -7.134 8.167 1.00 1.00 C ATOM 1174 CE2 PHE X 70 97.715 -5.785 8.072 1.00 1.00 C ATOM 1175 CZ PHE X 70 98.421 -6.875 8.596 1.00 1.00 C ATOM 0 H PHE X 70 99.705 -1.784 6.378 1.00 1.00 H new ATOM 0 HA PHE X 70 101.787 -3.818 7.127 1.00 1.00 H new ATOM 0 HB2 PHE X 70 99.516 -3.791 5.088 1.00 1.00 H new ATOM 0 HB3 PHE X 70 100.853 -4.917 4.957 1.00 1.00 H new ATOM 0 HD1 PHE X 70 101.338 -6.504 6.883 1.00 1.00 H new ATOM 0 HD2 PHE X 70 97.773 -4.113 6.715 1.00 1.00 H new ATOM 0 HE1 PHE X 70 100.272 -7.975 8.571 1.00 1.00 H new ATOM 0 HE2 PHE X 70 96.706 -5.585 8.403 1.00 1.00 H new ATOM 0 HZ PHE X 70 97.957 -7.516 9.331 1.00 1.00 H new ATOM 1185 N GLY X 71 101.602 -1.901 4.440 1.00 1.00 N ATOM 1186 CA GLY X 71 102.462 -1.269 3.402 1.00 1.00 C ATOM 1187 C GLY X 71 101.699 -1.212 2.078 1.00 1.00 C ATOM 1188 O GLY X 71 100.507 -1.442 2.025 1.00 1.00 O ATOM 0 H GLY X 71 100.610 -1.672 4.380 1.00 1.00 H new ATOM 0 HA2 GLY X 71 102.748 -0.264 3.713 1.00 1.00 H new ATOM 0 HA3 GLY X 71 103.383 -1.839 3.280 1.00 1.00 H new ATOM 1192 N PRO X 72 102.387 -0.893 1.017 1.00 1.00 N ATOM 1193 CA PRO X 72 101.781 -0.778 -0.338 1.00 1.00 C ATOM 1194 C PRO X 72 101.302 -2.131 -0.868 1.00 1.00 C ATOM 1195 O PRO X 72 100.463 -2.205 -1.741 1.00 1.00 O ATOM 1196 CB PRO X 72 102.905 -0.220 -1.224 1.00 1.00 C ATOM 1197 CG PRO X 72 104.024 0.157 -0.305 1.00 1.00 C ATOM 1198 CD PRO X 72 103.825 -0.616 0.993 1.00 1.00 C ATOM 0 HA PRO X 72 100.898 -0.138 -0.324 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.233 -0.965 -1.949 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.560 0.645 -1.790 1.00 1.00 H new ATOM 0 HG2 PRO X 72 104.988 -0.086 -0.753 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.022 1.231 -0.117 1.00 1.00 H new ATOM 0 HD2 PRO X 72 104.410 -1.536 1.005 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.134 -0.031 1.859 1.00 1.00 H new ATOM 1206 N GLU X 73 101.835 -3.204 -0.349 1.00 1.00 N ATOM 1207 CA GLU X 73 101.410 -4.548 -0.829 1.00 1.00 C ATOM 1208 C GLU X 73 99.896 -4.685 -0.683 1.00 1.00 C ATOM 1209 O GLU X 73 99.201 -5.042 -1.613 1.00 1.00 O ATOM 1210 CB GLU X 73 102.101 -5.632 0.003 1.00 1.00 C ATOM 1211 CG GLU X 73 103.593 -5.662 -0.331 1.00 1.00 C ATOM 1212 CD GLU X 73 104.289 -6.715 0.534 1.00 1.00 C ATOM 1213 OE1 GLU X 73 103.605 -7.363 1.309 1.00 1.00 O ATOM 1214 OE2 GLU X 73 105.493 -6.858 0.405 1.00 1.00 O ATOM 0 H GLU X 73 102.544 -3.207 0.384 1.00 1.00 H new ATOM 0 HA GLU X 73 101.688 -4.662 -1.877 1.00 1.00 H new ATOM 0 HB2 GLU X 73 101.960 -5.434 1.066 1.00 1.00 H new ATOM 0 HB3 GLU X 73 101.652 -6.604 -0.203 1.00 1.00 H new ATOM 0 HG2 GLU X 73 103.735 -5.892 -1.387 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.036 -4.681 -0.155 1.00 1.00 H new ATOM 1221 N LYS X 74 99.375 -4.396 0.477 1.00 1.00 N ATOM 1222 CA LYS X 74 97.904 -4.503 0.678 1.00 1.00 C ATOM 1223 C LYS X 74 97.187 -3.491 -0.207 1.00 1.00 C ATOM 1224 O LYS X 74 96.208 -3.809 -0.853 1.00 1.00 O ATOM 1225 CB LYS X 74 97.574 -4.224 2.147 1.00 1.00 C ATOM 1226 CG LYS X 74 98.194 -5.304 3.036 1.00 1.00 C ATOM 1227 CD LYS X 74 97.576 -6.665 2.708 1.00 1.00 C ATOM 1228 CE LYS X 74 97.695 -7.585 3.920 1.00 1.00 C ATOM 1229 NZ LYS X 74 97.099 -8.910 3.590 1.00 1.00 N ATOM 0 H LYS X 74 99.904 -4.091 1.294 1.00 1.00 H new ATOM 0 HA LYS X 74 97.574 -5.507 0.412 1.00 1.00 H new ATOM 0 HB2 LYS X 74 97.953 -3.243 2.434 1.00 1.00 H new ATOM 0 HB3 LYS X 74 96.493 -4.201 2.288 1.00 1.00 H new ATOM 0 HG2 LYS X 74 99.273 -5.338 2.883 1.00 1.00 H new ATOM 0 HG3 LYS X 74 98.028 -5.063 4.086 1.00 1.00 H new ATOM 0 HD2 LYS X 74 96.529 -6.543 2.432 1.00 1.00 H new ATOM 0 HD3 LYS X 74 98.082 -7.109 1.851 1.00 1.00 H new ATOM 0 HE2 LYS X 74 98.742 -7.703 4.200 1.00 1.00 H new ATOM 0 HE3 LYS X 74 97.183 -7.146 4.776 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 97.178 -9.541 4.413 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 96.096 -8.788 3.342 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 97.606 -9.328 2.784 1.00 1.00 H new ATOM 1243 N VAL X 75 97.664 -2.280 -0.244 1.00 1.00 N ATOM 1244 CA VAL X 75 97.007 -1.242 -1.086 1.00 1.00 C ATOM 1245 C VAL X 75 98.079 -0.337 -1.706 1.00 1.00 C ATOM 1246 O VAL X 75 98.372 0.730 -1.207 1.00 1.00 O ATOM 1247 CB VAL X 75 96.066 -0.407 -0.224 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.027 -1.320 0.426 1.00 1.00 C ATOM 1249 CG2 VAL X 75 96.867 0.309 0.861 1.00 1.00 C ATOM 0 H VAL X 75 98.483 -1.962 0.274 1.00 1.00 H new ATOM 0 HA VAL X 75 96.436 -1.723 -1.880 1.00 1.00 H new ATOM 0 HB VAL X 75 95.562 0.331 -0.847 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.354 -0.724 1.042 1.00 1.00 H new ATOM 0 HG12 VAL X 75 94.454 -1.829 -0.349 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.531 -2.059 1.049 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.194 0.906 1.477 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.373 -0.427 1.485 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.607 0.961 0.397 1.00 1.00 H new ATOM 1259 N PRO X 76 98.667 -0.768 -2.788 1.00 1.00 N ATOM 1260 CA PRO X 76 99.730 -0.002 -3.489 1.00 1.00 C ATOM 1261 C PRO X 76 99.159 1.115 -4.366 1.00 1.00 C ATOM 1262 O PRO X 76 97.979 1.402 -4.333 1.00 1.00 O ATOM 1263 CB PRO X 76 100.428 -1.058 -4.342 1.00 1.00 C ATOM 1264 CG PRO X 76 99.416 -2.132 -4.574 1.00 1.00 C ATOM 1265 CD PRO X 76 98.375 -2.040 -3.466 1.00 1.00 C ATOM 0 HA PRO X 76 100.398 0.503 -2.791 1.00 1.00 H new ATOM 0 HB2 PRO X 76 100.770 -0.634 -5.286 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.307 -1.453 -3.833 1.00 1.00 H new ATOM 0 HG2 PRO X 76 98.946 -2.010 -5.550 1.00 1.00 H new ATOM 0 HG3 PRO X 76 99.892 -3.112 -4.570 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.363 -2.050 -3.871 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.452 -2.882 -2.779 1.00 1.00 H new ATOM 1273 N VAL X 77 99.988 1.752 -5.145 1.00 1.00 N ATOM 1274 CA VAL X 77 99.495 2.855 -6.015 1.00 1.00 C ATOM 1275 C VAL X 77 98.458 2.307 -6.997 1.00 1.00 C ATOM 1276 O VAL X 77 97.661 3.040 -7.547 1.00 1.00 O ATOM 1277 CB VAL X 77 100.667 3.453 -6.798 1.00 1.00 C ATOM 1278 CG1 VAL X 77 100.154 4.555 -7.726 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.685 4.044 -5.821 1.00 1.00 C ATOM 0 H VAL X 77 100.986 1.556 -5.217 1.00 1.00 H new ATOM 0 HA VAL X 77 99.039 3.627 -5.395 1.00 1.00 H new ATOM 0 HB VAL X 77 101.142 2.671 -7.391 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.989 4.980 -8.283 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.429 4.135 -8.423 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.678 5.337 -7.134 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.519 4.470 -6.378 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.209 4.825 -5.228 1.00 1.00 H new ATOM 0 HG23 VAL X 77 102.053 3.259 -5.160 1.00 1.00 H new ATOM 1289 N THR X 78 98.470 1.023 -7.231 1.00 1.00 N ATOM 1290 CA THR X 78 97.495 0.435 -8.190 1.00 1.00 C ATOM 1291 C THR X 78 96.073 0.652 -7.672 1.00 1.00 C ATOM 1292 O THR X 78 95.162 0.916 -8.429 1.00 1.00 O ATOM 1293 CB THR X 78 97.756 -1.069 -8.328 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.330 -1.731 -7.146 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.253 -1.311 -8.539 1.00 1.00 C ATOM 0 H THR X 78 99.112 0.358 -6.800 1.00 1.00 H new ATOM 0 HA THR X 78 97.609 0.918 -9.161 1.00 1.00 H new ATOM 0 HB THR X 78 97.203 -1.458 -9.183 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.494 -2.693 -7.233 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.438 -2.381 -8.637 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.580 -0.801 -9.445 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.808 -0.923 -7.685 1.00 1.00 H new ATOM 1303 N ALA X 79 95.877 0.548 -6.386 1.00 1.00 N ATOM 1304 CA ALA X 79 94.511 0.744 -5.823 1.00 1.00 C ATOM 1305 C ALA X 79 93.990 2.129 -6.213 1.00 1.00 C ATOM 1306 O ALA X 79 92.879 2.274 -6.682 1.00 1.00 O ATOM 1307 CB ALA X 79 94.567 0.633 -4.298 1.00 1.00 C ATOM 0 H ALA X 79 96.603 0.336 -5.701 1.00 1.00 H new ATOM 0 HA ALA X 79 93.843 -0.020 -6.220 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.568 0.776 -3.886 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.937 -0.353 -4.018 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.236 1.397 -3.902 1.00 1.00 H new ATOM 1313 N PHE X 80 94.785 3.144 -6.026 1.00 1.00 N ATOM 1314 CA PHE X 80 94.339 4.517 -6.391 1.00 1.00 C ATOM 1315 C PHE X 80 94.156 4.606 -7.907 1.00 1.00 C ATOM 1316 O PHE X 80 93.260 5.263 -8.396 1.00 1.00 O ATOM 1317 CB PHE X 80 95.394 5.532 -5.945 1.00 1.00 C ATOM 1318 CG PHE X 80 95.454 5.561 -4.436 1.00 1.00 C ATOM 1319 CD1 PHE X 80 94.594 6.398 -3.717 1.00 1.00 C ATOM 1320 CD2 PHE X 80 96.371 4.749 -3.758 1.00 1.00 C ATOM 1321 CE1 PHE X 80 94.651 6.424 -2.318 1.00 1.00 C ATOM 1322 CE2 PHE X 80 96.427 4.775 -2.359 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.567 5.612 -1.639 1.00 1.00 C ATOM 0 H PHE X 80 95.725 3.082 -5.636 1.00 1.00 H new ATOM 0 HA PHE X 80 93.393 4.735 -5.896 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.368 5.264 -6.354 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.148 6.522 -6.330 1.00 1.00 H new ATOM 0 HD1 PHE X 80 93.886 7.024 -4.241 1.00 1.00 H new ATOM 0 HD2 PHE X 80 97.035 4.103 -4.313 1.00 1.00 H new ATOM 0 HE1 PHE X 80 93.988 7.071 -1.763 1.00 1.00 H new ATOM 0 HE2 PHE X 80 97.134 4.149 -1.835 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.610 5.631 -0.560 1.00 1.00 H new ATOM 1333 N SER X 81 95.005 3.954 -8.654 1.00 1.00 N ATOM 1334 CA SER X 81 94.882 4.008 -10.138 1.00 1.00 C ATOM 1335 C SER X 81 93.536 3.420 -10.565 1.00 1.00 C ATOM 1336 O SER X 81 92.835 3.977 -11.389 1.00 1.00 O ATOM 1337 CB SER X 81 96.015 3.196 -10.770 1.00 1.00 C ATOM 1338 OG SER X 81 95.919 3.277 -12.186 1.00 1.00 O ATOM 0 H SER X 81 95.777 3.388 -8.302 1.00 1.00 H new ATOM 0 HA SER X 81 94.944 5.045 -10.469 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.980 3.577 -10.437 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.955 2.156 -10.449 1.00 1.00 H new ATOM 0 HG SER X 81 96.644 2.759 -12.593 1.00 1.00 H new ATOM 1344 N TYR X 82 93.165 2.299 -10.008 1.00 1.00 N ATOM 1345 CA TYR X 82 91.863 1.678 -10.381 1.00 1.00 C ATOM 1346 C TYR X 82 90.714 2.603 -9.974 1.00 1.00 C ATOM 1347 O TYR X 82 89.782 2.818 -10.725 1.00 1.00 O ATOM 1348 CB TYR X 82 91.716 0.330 -9.670 1.00 1.00 C ATOM 1349 CG TYR X 82 92.533 -0.718 -10.389 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.182 -1.108 -11.687 1.00 1.00 C ATOM 1351 CD2 TYR X 82 93.642 -1.298 -9.759 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.938 -2.078 -12.356 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.398 -2.268 -10.429 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.045 -2.659 -11.726 1.00 1.00 C ATOM 1355 OH TYR X 82 94.791 -3.613 -12.386 1.00 1.00 O ATOM 0 H TYR X 82 93.707 1.787 -9.312 1.00 1.00 H new ATOM 0 HA TYR X 82 91.833 1.523 -11.460 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.047 0.416 -8.635 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.667 0.034 -9.645 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.327 -0.660 -12.173 1.00 1.00 H new ATOM 0 HD2 TYR X 82 93.914 -0.997 -8.758 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.667 -2.378 -13.358 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.254 -2.715 -9.945 1.00 1.00 H new ATOM 0 HH TYR X 82 95.524 -3.913 -11.808 1.00 1.00 H new ATOM 1365 N TRP X 83 90.773 3.153 -8.794 1.00 1.00 N ATOM 1366 CA TRP X 83 89.689 4.064 -8.339 1.00 1.00 C ATOM 1367 C TRP X 83 89.665 5.306 -9.231 1.00 1.00 C ATOM 1368 O TRP X 83 88.619 5.834 -9.550 1.00 1.00 O ATOM 1369 CB TRP X 83 89.938 4.475 -6.887 1.00 1.00 C ATOM 1370 CG TRP X 83 88.627 4.748 -6.220 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.004 5.948 -6.191 1.00 1.00 C ATOM 1372 CD2 TRP X 83 87.774 3.826 -5.482 1.00 1.00 C ATOM 1373 NE1 TRP X 83 86.823 5.821 -5.483 1.00 1.00 N ATOM 1374 CE2 TRP X 83 86.636 4.532 -5.026 1.00 1.00 C ATOM 1375 CE3 TRP X 83 87.875 2.458 -5.168 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 85.634 3.905 -4.285 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 86.868 1.824 -4.422 1.00 1.00 C ATOM 1378 CH2 TRP X 83 85.751 2.545 -3.982 1.00 1.00 C ATOM 0 H TRP X 83 91.528 3.010 -8.123 1.00 1.00 H new ATOM 0 HA TRP X 83 88.730 3.551 -8.405 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.470 3.684 -6.359 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.569 5.363 -6.851 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.369 6.857 -6.646 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.170 6.587 -5.318 1.00 1.00 H new ATOM 0 HE3 TRP X 83 88.732 1.892 -5.503 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 84.775 4.466 -3.948 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 86.956 0.774 -4.186 1.00 1.00 H new ATOM 0 HH2 TRP X 83 84.980 2.051 -3.409 1.00 1.00 H new ATOM 1389 N ASN X 84 90.812 5.781 -9.631 1.00 1.00 N ATOM 1390 CA ASN X 84 90.854 6.996 -10.493 1.00 1.00 C ATOM 1391 C ASN X 84 90.005 6.746 -11.740 1.00 1.00 C ATOM 1392 O ASN X 84 89.254 7.601 -12.175 1.00 1.00 O ATOM 1393 CB ASN X 84 92.305 7.269 -10.909 1.00 1.00 C ATOM 1394 CG ASN X 84 93.076 7.857 -9.724 1.00 1.00 C ATOM 1395 OD1 ASN X 84 94.256 8.127 -9.825 1.00 1.00 O ATOM 1396 ND2 ASN X 84 92.453 8.064 -8.595 1.00 1.00 N ATOM 0 H ASN X 84 91.721 5.381 -9.399 1.00 1.00 H new ATOM 0 HA ASN X 84 90.465 7.856 -9.947 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.779 6.345 -11.242 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.329 7.961 -11.751 1.00 1.00 H new ATOM 0 HD21 ASN X 84 92.957 8.452 -7.798 1.00 1.00 H new ATOM 0 HD22 ASN X 84 91.462 7.837 -8.510 1.00 1.00 H new ATOM 1403 N LEU X 85 90.100 5.576 -12.307 1.00 1.00 N ATOM 1404 CA LEU X 85 89.281 5.263 -13.516 1.00 1.00 C ATOM 1405 C LEU X 85 87.799 5.252 -13.134 1.00 1.00 C ATOM 1406 O LEU X 85 86.957 5.739 -13.862 1.00 1.00 O ATOM 1407 CB LEU X 85 89.681 3.892 -14.062 1.00 1.00 C ATOM 1408 CG LEU X 85 91.152 3.921 -14.481 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.566 2.540 -14.988 1.00 1.00 C ATOM 1410 CD2 LEU X 85 91.353 4.953 -15.592 1.00 1.00 C ATOM 0 H LEU X 85 90.708 4.822 -11.988 1.00 1.00 H new ATOM 0 HA LEU X 85 89.454 6.020 -14.281 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.523 3.126 -13.303 1.00 1.00 H new ATOM 0 HB3 LEU X 85 89.054 3.631 -14.914 1.00 1.00 H new ATOM 0 HG LEU X 85 91.765 4.193 -13.622 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.614 2.561 -15.286 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.429 1.805 -14.195 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.950 2.267 -15.845 1.00 1.00 H new ATOM 0 HD21 LEU X 85 92.402 4.970 -15.887 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.738 4.686 -16.452 1.00 1.00 H new ATOM 0 HD23 LEU X 85 91.062 5.939 -15.230 1.00 1.00 H new ATOM 1422 N ILE X 86 87.475 4.710 -11.993 1.00 1.00 N ATOM 1423 CA ILE X 86 86.052 4.682 -11.556 1.00 1.00 C ATOM 1424 C ILE X 86 85.556 6.110 -11.345 1.00 1.00 C ATOM 1425 O ILE X 86 84.456 6.454 -11.724 1.00 1.00 O ATOM 1426 CB ILE X 86 85.925 3.896 -10.249 1.00 1.00 C ATOM 1427 CG1 ILE X 86 85.925 2.395 -10.553 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.625 4.281 -9.540 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.491 1.929 -10.837 1.00 1.00 C ATOM 0 H ILE X 86 88.136 4.284 -11.343 1.00 1.00 H new ATOM 0 HA ILE X 86 85.450 4.197 -12.324 1.00 1.00 H new ATOM 0 HB ILE X 86 86.769 4.132 -9.601 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.563 2.187 -11.412 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.338 1.842 -9.709 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.538 3.719 -8.610 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.633 5.349 -9.320 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.777 4.050 -10.184 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.492 0.861 -11.053 1.00 1.00 H new ATOM 0 HD12 ILE X 86 83.866 2.122 -9.965 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.095 2.473 -11.695 1.00 1.00 H new ATOM 1441 N LYS X 87 86.358 6.940 -10.737 1.00 1.00 N ATOM 1442 CA LYS X 87 85.932 8.345 -10.488 1.00 1.00 C ATOM 1443 C LYS X 87 85.512 8.988 -11.813 1.00 1.00 C ATOM 1444 O LYS X 87 84.562 9.743 -11.875 1.00 1.00 O ATOM 1445 CB LYS X 87 87.098 9.132 -9.888 1.00 1.00 C ATOM 1446 CG LYS X 87 86.623 10.534 -9.503 1.00 1.00 C ATOM 1447 CD LYS X 87 87.762 11.290 -8.816 1.00 1.00 C ATOM 1448 CE LYS X 87 87.276 12.680 -8.400 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.367 13.393 -7.678 1.00 1.00 N ATOM 0 H LYS X 87 87.292 6.705 -10.401 1.00 1.00 H new ATOM 0 HA LYS X 87 85.092 8.355 -9.794 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.487 8.615 -9.011 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.914 9.198 -10.607 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.297 11.075 -10.391 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.763 10.468 -8.837 1.00 1.00 H new ATOM 0 HD2 LYS X 87 88.104 10.736 -7.942 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.613 11.378 -9.491 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.975 13.250 -9.279 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.398 12.593 -7.760 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 88.037 14.338 -7.395 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.634 12.852 -6.831 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 89.193 13.488 -8.303 1.00 1.00 H new ATOM 1463 N GLU X 88 86.221 8.706 -12.874 1.00 1.00 N ATOM 1464 CA GLU X 88 85.858 9.306 -14.187 1.00 1.00 C ATOM 1465 C GLU X 88 84.552 8.684 -14.689 1.00 1.00 C ATOM 1466 O GLU X 88 83.711 9.352 -15.251 1.00 1.00 O ATOM 1467 CB GLU X 88 86.974 9.032 -15.195 1.00 1.00 C ATOM 1468 CG GLU X 88 88.282 9.629 -14.675 1.00 1.00 C ATOM 1469 CD GLU X 88 88.185 11.157 -14.674 1.00 1.00 C ATOM 1470 OE1 GLU X 88 87.347 11.678 -15.391 1.00 1.00 O ATOM 1471 OE2 GLU X 88 88.950 11.779 -13.956 1.00 1.00 O ATOM 0 H GLU X 88 87.033 8.088 -12.887 1.00 1.00 H new ATOM 0 HA GLU X 88 85.726 10.382 -14.072 1.00 1.00 H new ATOM 0 HB2 GLU X 88 87.086 7.959 -15.348 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.721 9.467 -16.162 1.00 1.00 H new ATOM 0 HG2 GLU X 88 88.483 9.267 -13.667 1.00 1.00 H new ATOM 0 HG3 GLU X 88 89.114 9.308 -15.301 1.00 1.00 H new ATOM 1478 N LEU X 89 84.382 7.405 -14.500 1.00 1.00 N ATOM 1479 CA LEU X 89 83.134 6.747 -14.979 1.00 1.00 C ATOM 1480 C LEU X 89 81.924 7.334 -14.264 1.00 1.00 C ATOM 1481 O LEU X 89 80.928 7.658 -14.881 1.00 1.00 O ATOM 1482 CB LEU X 89 83.209 5.241 -14.693 1.00 1.00 C ATOM 1483 CG LEU X 89 83.767 4.500 -15.912 1.00 1.00 C ATOM 1484 CD1 LEU X 89 85.230 4.887 -16.138 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.675 2.989 -15.678 1.00 1.00 C ATOM 0 H LEU X 89 85.050 6.789 -14.037 1.00 1.00 H new ATOM 0 HA LEU X 89 83.033 6.916 -16.051 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.843 5.059 -13.825 1.00 1.00 H new ATOM 0 HB3 LEU X 89 82.218 4.860 -14.449 1.00 1.00 H new ATOM 0 HG LEU X 89 83.183 4.774 -16.791 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.617 4.355 -17.007 1.00 1.00 H new ATOM 0 HD12 LEU X 89 85.300 5.961 -16.310 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.817 4.621 -15.259 1.00 1.00 H new ATOM 0 HD21 LEU X 89 84.072 2.462 -16.545 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.254 2.722 -14.794 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.633 2.707 -15.528 1.00 1.00 H new ATOM 1497 N ILE X 90 82.003 7.482 -12.974 1.00 1.00 N ATOM 1498 CA ILE X 90 80.855 8.052 -12.218 1.00 1.00 C ATOM 1499 C ILE X 90 80.773 9.558 -12.470 1.00 1.00 C ATOM 1500 O ILE X 90 79.705 10.137 -12.482 1.00 1.00 O ATOM 1501 CB ILE X 90 81.049 7.788 -10.724 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.340 8.458 -10.257 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.138 6.284 -10.474 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.665 8.009 -8.832 1.00 1.00 C ATOM 0 H ILE X 90 82.814 7.233 -12.408 1.00 1.00 H new ATOM 0 HA ILE X 90 79.930 7.582 -12.551 1.00 1.00 H new ATOM 0 HB ILE X 90 80.203 8.195 -10.171 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.160 8.198 -10.927 1.00 1.00 H new ATOM 0 HG13 ILE X 90 82.232 9.542 -10.292 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.276 6.100 -9.409 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.218 5.804 -10.809 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.983 5.873 -11.026 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.586 8.488 -8.501 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.849 8.292 -8.166 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.791 6.927 -8.811 1.00 1.00 H new ATOM 1516 N ASP X 91 81.891 10.196 -12.675 1.00 1.00 N ATOM 1517 CA ASP X 91 81.876 11.665 -12.923 1.00 1.00 C ATOM 1518 C ASP X 91 81.057 11.959 -14.182 1.00 1.00 C ATOM 1519 O ASP X 91 80.301 12.908 -14.232 1.00 1.00 O ATOM 1520 CB ASP X 91 83.311 12.163 -13.120 1.00 1.00 C ATOM 1521 CG ASP X 91 83.297 13.666 -13.409 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.214 14.214 -13.532 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.368 14.242 -13.505 1.00 1.00 O ATOM 0 H ASP X 91 82.815 9.764 -12.682 1.00 1.00 H new ATOM 0 HA ASP X 91 81.428 12.175 -12.070 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.903 11.959 -12.228 1.00 1.00 H new ATOM 0 HB3 ASP X 91 83.782 11.628 -13.944 1.00 1.00 H new ATOM 1528 N LYS X 92 81.199 11.152 -15.196 1.00 1.00 N ATOM 1529 CA LYS X 92 80.426 11.386 -16.448 1.00 1.00 C ATOM 1530 C LYS X 92 78.928 11.299 -16.146 1.00 1.00 C ATOM 1531 O LYS X 92 78.139 12.072 -16.653 1.00 1.00 O ATOM 1532 CB LYS X 92 80.800 10.324 -17.484 1.00 1.00 C ATOM 1533 CG LYS X 92 82.240 10.548 -17.949 1.00 1.00 C ATOM 1534 CD LYS X 92 82.626 9.464 -18.957 1.00 1.00 C ATOM 1535 CE LYS X 92 84.059 9.701 -19.437 1.00 1.00 C ATOM 1536 NZ LYS X 92 84.124 10.991 -20.181 1.00 1.00 N ATOM 0 H LYS X 92 81.817 10.341 -15.212 1.00 1.00 H new ATOM 0 HA LYS X 92 80.661 12.375 -16.841 1.00 1.00 H new ATOM 0 HB2 LYS X 92 80.697 9.328 -17.053 1.00 1.00 H new ATOM 0 HB3 LYS X 92 80.120 10.375 -18.334 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.337 11.534 -18.404 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.917 10.523 -17.095 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.543 8.479 -18.498 1.00 1.00 H new ATOM 0 HD3 LYS X 92 81.940 9.479 -19.804 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.740 9.724 -18.586 1.00 1.00 H new ATOM 0 HE3 LYS X 92 84.379 8.881 -20.080 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 84.961 10.994 -20.798 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 83.267 11.101 -20.760 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 84.189 11.779 -19.505 1.00 1.00 H new ATOM 1550 N LYS X 93 78.529 10.367 -15.322 1.00 1.00 N ATOM 1551 CA LYS X 93 77.081 10.238 -14.992 1.00 1.00 C ATOM 1552 C LYS X 93 76.788 11.010 -13.703 1.00 1.00 C ATOM 1553 O LYS X 93 77.275 10.676 -12.641 1.00 1.00 O ATOM 1554 CB LYS X 93 76.736 8.760 -14.790 1.00 1.00 C ATOM 1555 CG LYS X 93 75.220 8.603 -14.665 1.00 1.00 C ATOM 1556 CD LYS X 93 74.866 7.119 -14.565 1.00 1.00 C ATOM 1557 CE LYS X 93 73.348 6.960 -14.468 1.00 1.00 C ATOM 1558 NZ LYS X 93 72.856 7.638 -13.236 1.00 1.00 N ATOM 0 H LYS X 93 79.142 9.692 -14.865 1.00 1.00 H new ATOM 0 HA LYS X 93 76.481 10.643 -15.807 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.105 8.171 -15.630 1.00 1.00 H new ATOM 0 HB3 LYS X 93 77.227 8.380 -13.894 1.00 1.00 H new ATOM 0 HG2 LYS X 93 74.861 9.133 -13.783 1.00 1.00 H new ATOM 0 HG3 LYS X 93 74.725 9.048 -15.528 1.00 1.00 H new ATOM 0 HD2 LYS X 93 75.243 6.585 -15.437 1.00 1.00 H new ATOM 0 HD3 LYS X 93 75.345 6.679 -13.690 1.00 1.00 H new ATOM 0 HE2 LYS X 93 72.870 7.389 -15.348 1.00 1.00 H new ATOM 0 HE3 LYS X 93 73.083 5.903 -14.445 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 71.920 7.262 -12.983 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 73.521 7.465 -12.455 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 72.783 8.661 -13.408 1.00 1.00 H new ATOM 1572 N GLU X 94 75.994 12.043 -13.788 1.00 1.00 N ATOM 1573 CA GLU X 94 75.674 12.840 -12.569 1.00 1.00 C ATOM 1574 C GLU X 94 74.509 12.189 -11.827 1.00 1.00 C ATOM 1575 O GLU X 94 73.439 12.008 -12.375 1.00 1.00 O ATOM 1576 CB GLU X 94 75.282 14.263 -12.982 1.00 1.00 C ATOM 1577 CG GLU X 94 76.491 14.965 -13.607 1.00 1.00 C ATOM 1578 CD GLU X 94 77.578 15.162 -12.547 1.00 1.00 C ATOM 1579 OE1 GLU X 94 77.241 15.149 -11.375 1.00 1.00 O ATOM 1580 OE2 GLU X 94 78.727 15.319 -12.925 1.00 1.00 O ATOM 0 H GLU X 94 75.553 12.369 -14.648 1.00 1.00 H new ATOM 0 HA GLU X 94 76.547 12.875 -11.917 1.00 1.00 H new ATOM 0 HB2 GLU X 94 74.458 14.232 -13.694 1.00 1.00 H new ATOM 0 HB3 GLU X 94 74.932 14.822 -12.114 1.00 1.00 H new ATOM 0 HG2 GLU X 94 76.880 14.372 -14.435 1.00 1.00 H new ATOM 0 HG3 GLU X 94 76.192 15.929 -14.018 1.00 1.00 H new ATOM 1587 N VAL X 95 74.711 11.834 -10.586 1.00 1.00 N ATOM 1588 CA VAL X 95 73.615 11.191 -9.804 1.00 1.00 C ATOM 1589 C VAL X 95 73.560 11.806 -8.407 1.00 1.00 C ATOM 1590 O VAL X 95 74.561 12.249 -7.881 1.00 1.00 O ATOM 1591 CB VAL X 95 73.883 9.691 -9.692 1.00 1.00 C ATOM 1592 CG1 VAL X 95 75.208 9.462 -8.963 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.749 9.028 -8.906 1.00 1.00 C ATOM 0 H VAL X 95 75.587 11.961 -10.080 1.00 1.00 H new ATOM 0 HA VAL X 95 72.663 11.352 -10.309 1.00 1.00 H new ATOM 0 HB VAL X 95 73.937 9.257 -10.690 1.00 1.00 H new ATOM 0 HG11 VAL X 95 75.399 8.392 -8.883 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.017 9.934 -9.521 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.154 9.896 -7.965 1.00 1.00 H new ATOM 0 HG21 VAL X 95 72.939 7.958 -8.826 1.00 1.00 H new ATOM 0 HG22 VAL X 95 72.695 9.463 -7.908 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.804 9.191 -9.424 1.00 1.00 H new