USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 646 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 60 ASN : amide:sc= -2.5! C(o=-1.6!,f=-6.7!) USER MOD Set 1.2: A 63 THR OG1 : rot -77:sc= 0.944 USER MOD Set 2.1: A 46 GLN : amide:sc= -0.104 K(o=-0.1,f=-2.1) USER MOD Set 2.2: A 49 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.103) USER MOD Single : A 1AGLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1BSER OG : rot 114:sc= 0.579 USER MOD Single : A 1CMET CE :methyl -167:sc=-0.00757 (180deg=-0.115) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -120:sc= 0.0693 USER MOD Single : A 7 GLN : amide:sc= -0.422 X(o=-0.42,f=-0.075) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0173) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.0103 (180deg=-0.278) USER MOD Single : A 25 HIS : no HD1:sc= -0.814 K(o=-0.81,f=-2.5!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.504 F(o=-1.5!,f=-0.5) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.262 F(o=-2.4,f=-0.26) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 167:sc= 0.0409 USER MOD Single : A 72 THR OG1 : rot 101:sc= 0.639 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 90:sc= -1.03 USER MOD Single : A 80 LYS NZ :NH3+ 149:sc=-0.00853 (180deg=-0.316) USER MOD Single : A 81 LYS NZ :NH3+ -158:sc= -0.136 (180deg=-0.694) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0743 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1A 12.364 -12.305 -23.678 1.00 0.00 N ATOM 2 CA GLY A 1A 11.986 -11.481 -24.861 1.00 0.00 C ATOM 3 C GLY A 1A 11.548 -10.091 -24.402 1.00 0.00 C ATOM 4 O GLY A 1A 10.379 -9.763 -24.467 1.00 0.00 O ATOM 0 H1 GLY A 1A 12.661 -13.250 -23.994 1.00 0.00 H new ATOM 0 H2 GLY A 1A 13.148 -11.846 -23.172 1.00 0.00 H new ATOM 0 H3 GLY A 1A 11.546 -12.394 -23.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1A 12.831 -11.399 -25.544 1.00 0.00 H new ATOM 0 HA3 GLY A 1A 11.178 -11.965 -25.410 1.00 0.00 H new ATOM 10 N SER A 1B 12.503 -9.318 -23.949 1.00 0.00 N ATOM 11 CA SER A 1B 12.214 -7.913 -23.532 1.00 0.00 C ATOM 12 C SER A 1B 13.474 -7.053 -23.663 1.00 0.00 C ATOM 13 O SER A 1B 14.564 -7.508 -23.378 1.00 0.00 O ATOM 14 CB SER A 1B 11.719 -7.922 -22.067 1.00 0.00 C ATOM 15 OG SER A 1B 12.832 -8.321 -21.275 1.00 0.00 O ATOM 0 H SER A 1B 13.477 -9.603 -23.850 1.00 0.00 H new ATOM 0 HA SER A 1B 11.444 -7.488 -24.176 1.00 0.00 H new ATOM 0 HB2 SER A 1B 11.364 -6.935 -21.770 1.00 0.00 H new ATOM 0 HB3 SER A 1B 10.885 -8.612 -21.942 1.00 0.00 H new ATOM 0 HG SER A 1B 13.105 -7.579 -20.696 1.00 0.00 H new ATOM 21 N MET A 1C 13.280 -5.832 -24.090 1.00 0.00 N ATOM 22 CA MET A 1C 14.428 -4.880 -24.232 1.00 0.00 C ATOM 23 C MET A 1C 14.843 -4.344 -22.856 1.00 0.00 C ATOM 24 O MET A 1C 16.004 -4.057 -22.634 1.00 0.00 O ATOM 25 CB MET A 1C 14.010 -3.708 -25.134 1.00 0.00 C ATOM 26 CG MET A 1C 13.694 -4.208 -26.555 1.00 0.00 C ATOM 27 SD MET A 1C 12.076 -3.748 -27.231 1.00 0.00 S ATOM 28 CE MET A 1C 11.211 -5.333 -27.060 1.00 0.00 C ATOM 0 H MET A 1C 12.371 -5.449 -24.349 1.00 0.00 H new ATOM 0 HA MET A 1C 15.273 -5.405 -24.678 1.00 0.00 H new ATOM 0 HB2 MET A 1C 13.135 -3.212 -24.714 1.00 0.00 H new ATOM 0 HB3 MET A 1C 14.809 -2.967 -25.172 1.00 0.00 H new ATOM 0 HG2 MET A 1C 14.465 -3.833 -27.228 1.00 0.00 H new ATOM 0 HG3 MET A 1C 13.769 -5.295 -26.559 1.00 0.00 H new ATOM 0 HE1 MET A 1C 10.284 -5.305 -27.632 1.00 0.00 H new ATOM 0 HE2 MET A 1C 11.845 -6.136 -27.436 1.00 0.00 H new ATOM 0 HE3 MET A 1C 10.984 -5.512 -26.009 1.00 0.00 H new ATOM 38 N SER A 2 13.873 -4.230 -21.983 1.00 0.00 N ATOM 39 CA SER A 2 14.118 -3.696 -20.606 1.00 0.00 C ATOM 40 C SER A 2 13.539 -4.662 -19.562 1.00 0.00 C ATOM 41 O SER A 2 13.161 -5.772 -19.883 1.00 0.00 O ATOM 42 CB SER A 2 13.447 -2.297 -20.489 1.00 0.00 C ATOM 43 OG SER A 2 14.350 -1.510 -19.721 1.00 0.00 O ATOM 0 H SER A 2 12.904 -4.489 -22.169 1.00 0.00 H new ATOM 0 HA SER A 2 15.189 -3.601 -20.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.280 -1.857 -21.472 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.474 -2.367 -20.002 1.00 0.00 H new ATOM 0 HG SER A 2 13.985 -0.607 -19.610 1.00 0.00 H new ATOM 49 N ALA A 3 13.494 -4.197 -18.339 1.00 0.00 N ATOM 50 CA ALA A 3 12.905 -5.003 -17.225 1.00 0.00 C ATOM 51 C ALA A 3 12.504 -4.079 -16.074 1.00 0.00 C ATOM 52 O ALA A 3 13.350 -3.532 -15.391 1.00 0.00 O ATOM 53 CB ALA A 3 13.943 -6.024 -16.740 1.00 0.00 C ATOM 0 H ALA A 3 13.845 -3.281 -18.061 1.00 0.00 H new ATOM 0 HA ALA A 3 12.018 -5.527 -17.581 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.520 -6.615 -15.928 1.00 0.00 H new ATOM 0 HB2 ALA A 3 14.217 -6.683 -17.564 1.00 0.00 H new ATOM 0 HB3 ALA A 3 14.830 -5.500 -16.384 1.00 0.00 H new ATOM 59 N GLU A 4 11.216 -3.935 -15.901 1.00 0.00 N ATOM 60 CA GLU A 4 10.674 -3.075 -14.802 1.00 0.00 C ATOM 61 C GLU A 4 9.570 -3.822 -14.049 1.00 0.00 C ATOM 62 O GLU A 4 9.174 -3.415 -12.973 1.00 0.00 O ATOM 63 CB GLU A 4 10.118 -1.768 -15.413 1.00 0.00 C ATOM 64 CG GLU A 4 11.034 -1.269 -16.556 1.00 0.00 C ATOM 65 CD GLU A 4 10.764 0.223 -16.813 1.00 0.00 C ATOM 66 OE1 GLU A 4 9.787 0.486 -17.498 1.00 0.00 O ATOM 67 OE2 GLU A 4 11.548 1.015 -16.312 1.00 0.00 O ATOM 0 H GLU A 4 10.506 -4.382 -16.481 1.00 0.00 H new ATOM 0 HA GLU A 4 11.469 -2.835 -14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.111 -1.938 -15.794 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.041 -1.003 -14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 4 12.080 -1.420 -16.290 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.849 -1.845 -17.463 1.00 0.00 H new ATOM 74 N GLY A 5 9.115 -4.897 -14.644 1.00 0.00 N ATOM 75 CA GLY A 5 7.891 -5.588 -14.134 1.00 0.00 C ATOM 76 C GLY A 5 6.631 -5.102 -14.864 1.00 0.00 C ATOM 77 O GLY A 5 6.703 -4.613 -15.975 1.00 0.00 O ATOM 0 H GLY A 5 9.541 -5.327 -15.465 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.997 -6.665 -14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.787 -5.406 -13.064 1.00 0.00 H new ATOM 81 N TYR A 6 5.516 -5.257 -14.194 1.00 0.00 N ATOM 82 CA TYR A 6 4.182 -4.936 -14.804 1.00 0.00 C ATOM 83 C TYR A 6 3.821 -3.486 -14.469 1.00 0.00 C ATOM 84 O TYR A 6 4.276 -2.958 -13.469 1.00 0.00 O ATOM 85 CB TYR A 6 3.064 -5.881 -14.234 1.00 0.00 C ATOM 86 CG TYR A 6 3.626 -7.009 -13.351 1.00 0.00 C ATOM 87 CD1 TYR A 6 4.417 -8.001 -13.896 1.00 0.00 C ATOM 88 CD2 TYR A 6 3.348 -7.046 -11.999 1.00 0.00 C ATOM 89 CE1 TYR A 6 4.920 -9.010 -13.102 1.00 0.00 C ATOM 90 CE2 TYR A 6 3.849 -8.053 -11.204 1.00 0.00 C ATOM 91 CZ TYR A 6 4.642 -9.043 -11.749 1.00 0.00 C ATOM 92 OH TYR A 6 5.147 -10.053 -10.955 1.00 0.00 O ATOM 0 H TYR A 6 5.470 -5.598 -13.234 1.00 0.00 H new ATOM 0 HA TYR A 6 4.246 -5.080 -15.883 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.357 -5.289 -13.653 1.00 0.00 H new ATOM 0 HB3 TYR A 6 2.508 -6.318 -15.063 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.643 -7.987 -14.952 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.731 -6.276 -11.560 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.536 -9.781 -13.541 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.620 -8.068 -10.149 1.00 0.00 H new ATOM 0 HH TYR A 6 4.407 -10.550 -10.548 1.00 0.00 H new ATOM 102 N GLN A 7 3.017 -2.891 -15.319 1.00 0.00 N ATOM 103 CA GLN A 7 2.725 -1.427 -15.185 1.00 0.00 C ATOM 104 C GLN A 7 1.222 -1.127 -15.300 1.00 0.00 C ATOM 105 O GLN A 7 0.437 -1.932 -15.771 1.00 0.00 O ATOM 106 CB GLN A 7 3.497 -0.671 -16.287 1.00 0.00 C ATOM 107 CG GLN A 7 4.961 -0.424 -15.849 1.00 0.00 C ATOM 108 CD GLN A 7 5.869 -0.165 -17.067 1.00 0.00 C ATOM 109 OE1 GLN A 7 7.064 -0.381 -17.013 1.00 0.00 O ATOM 110 NE2 GLN A 7 5.356 0.289 -18.181 1.00 0.00 N ATOM 0 H GLN A 7 2.551 -3.355 -16.099 1.00 0.00 H new ATOM 0 HA GLN A 7 3.044 -1.098 -14.196 1.00 0.00 H new ATOM 0 HB2 GLN A 7 3.480 -1.247 -17.212 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.008 0.281 -16.495 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.002 0.430 -15.173 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.329 -1.288 -15.295 1.00 0.00 H new ATOM 0 HE21 GLN A 7 4.355 0.475 -18.243 1.00 0.00 H new ATOM 0 HE22 GLN A 7 5.957 0.457 -18.988 1.00 0.00 H new ATOM 119 N TYR A 8 0.894 0.054 -14.844 1.00 0.00 N ATOM 120 CA TYR A 8 -0.524 0.509 -14.749 1.00 0.00 C ATOM 121 C TYR A 8 -0.540 2.001 -15.081 1.00 0.00 C ATOM 122 O TYR A 8 0.295 2.747 -14.609 1.00 0.00 O ATOM 123 CB TYR A 8 -1.082 0.332 -13.316 1.00 0.00 C ATOM 124 CG TYR A 8 -1.107 -1.141 -12.880 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.064 -1.813 -12.593 1.00 0.00 C ATOM 126 CD2 TYR A 8 -2.309 -1.815 -12.766 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.034 -3.131 -12.201 1.00 0.00 C ATOM 128 CE2 TYR A 8 -2.336 -3.137 -12.371 1.00 0.00 C ATOM 129 CZ TYR A 8 -1.163 -3.804 -12.086 1.00 0.00 C ATOM 130 OH TYR A 8 -1.191 -5.128 -11.693 1.00 0.00 O ATOM 0 H TYR A 8 1.574 0.743 -14.523 1.00 0.00 H new ATOM 0 HA TYR A 8 -1.137 -0.080 -15.431 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -0.473 0.905 -12.617 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -2.091 0.740 -13.268 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.011 -1.300 -12.677 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.234 -1.303 -12.988 1.00 0.00 H new ATOM 0 HE1 TYR A 8 0.959 -3.644 -11.981 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.281 -3.652 -12.285 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.119 -5.441 -11.665 1.00 0.00 H new ATOM 140 N ARG A 9 -1.497 2.382 -15.882 1.00 0.00 N ATOM 141 CA ARG A 9 -1.655 3.812 -16.276 1.00 0.00 C ATOM 142 C ARG A 9 -2.808 4.423 -15.472 1.00 0.00 C ATOM 143 O ARG A 9 -3.909 3.907 -15.490 1.00 0.00 O ATOM 144 CB ARG A 9 -1.952 3.870 -17.791 1.00 0.00 C ATOM 145 CG ARG A 9 -0.845 4.664 -18.525 1.00 0.00 C ATOM 146 CD ARG A 9 -0.706 4.146 -19.970 1.00 0.00 C ATOM 147 NE ARG A 9 0.461 3.217 -20.031 1.00 0.00 N ATOM 148 CZ ARG A 9 1.456 3.469 -20.840 1.00 0.00 C ATOM 149 NH1 ARG A 9 2.253 4.469 -20.577 1.00 0.00 N ATOM 150 NH2 ARG A 9 1.623 2.711 -21.887 1.00 0.00 N ATOM 0 H ARG A 9 -2.189 1.751 -16.287 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.747 4.378 -16.068 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.013 2.860 -18.195 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.920 4.341 -17.961 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.089 5.726 -18.531 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.103 4.558 -17.997 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.616 3.631 -20.277 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.563 4.979 -20.659 1.00 0.00 H new ATOM 0 HE ARG A 9 0.482 2.385 -19.441 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.095 5.043 -19.748 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.033 4.677 -21.200 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.983 1.937 -22.063 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.394 2.892 -22.530 1.00 0.00 H new ATOM 164 N ALA A 10 -2.520 5.504 -14.793 1.00 0.00 N ATOM 165 CA ALA A 10 -3.610 6.330 -14.180 1.00 0.00 C ATOM 166 C ALA A 10 -4.676 6.696 -15.228 1.00 0.00 C ATOM 167 O ALA A 10 -4.361 6.831 -16.396 1.00 0.00 O ATOM 168 CB ALA A 10 -2.994 7.613 -13.587 1.00 0.00 C ATOM 0 H ALA A 10 -1.575 5.853 -14.635 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.094 5.751 -13.393 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.780 8.220 -13.139 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.262 7.346 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.504 8.180 -14.378 1.00 0.00 H new ATOM 174 N LEU A 11 -5.898 6.844 -14.777 1.00 0.00 N ATOM 175 CA LEU A 11 -7.040 7.112 -15.710 1.00 0.00 C ATOM 176 C LEU A 11 -7.742 8.428 -15.358 1.00 0.00 C ATOM 177 O LEU A 11 -8.351 9.044 -16.212 1.00 0.00 O ATOM 178 CB LEU A 11 -8.040 5.941 -15.616 1.00 0.00 C ATOM 179 CG LEU A 11 -8.699 5.709 -17.001 1.00 0.00 C ATOM 180 CD1 LEU A 11 -7.645 5.140 -18.006 1.00 0.00 C ATOM 181 CD2 LEU A 11 -9.893 4.730 -16.844 1.00 0.00 C ATOM 0 H LEU A 11 -6.157 6.790 -13.792 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.657 7.200 -16.727 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.527 5.036 -15.290 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.804 6.161 -14.870 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.068 6.656 -17.395 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.116 4.980 -18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.825 5.850 -18.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.258 4.193 -17.630 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.358 4.565 -17.816 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.535 3.780 -16.447 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.626 5.156 -16.159 1.00 0.00 H new ATOM 193 N TYR A 12 -7.636 8.814 -14.111 1.00 0.00 N ATOM 194 CA TYR A 12 -8.231 10.107 -13.656 1.00 0.00 C ATOM 195 C TYR A 12 -7.416 10.688 -12.497 1.00 0.00 C ATOM 196 O TYR A 12 -6.874 9.953 -11.696 1.00 0.00 O ATOM 197 CB TYR A 12 -9.691 9.852 -13.209 1.00 0.00 C ATOM 198 CG TYR A 12 -10.653 10.475 -14.230 1.00 0.00 C ATOM 199 CD1 TYR A 12 -10.934 11.826 -14.184 1.00 0.00 C ATOM 200 CD2 TYR A 12 -11.244 9.696 -15.205 1.00 0.00 C ATOM 201 CE1 TYR A 12 -11.795 12.390 -15.098 1.00 0.00 C ATOM 202 CE2 TYR A 12 -12.107 10.261 -16.120 1.00 0.00 C ATOM 203 CZ TYR A 12 -12.388 11.611 -16.073 1.00 0.00 C ATOM 204 OH TYR A 12 -13.251 12.172 -16.991 1.00 0.00 O ATOM 0 H TYR A 12 -7.158 8.283 -13.383 1.00 0.00 H new ATOM 0 HA TYR A 12 -8.217 10.826 -14.475 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -9.876 8.781 -13.125 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.861 10.283 -12.222 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -10.475 12.444 -13.426 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -11.029 8.639 -15.251 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -12.008 13.448 -15.053 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -12.566 9.643 -16.878 1.00 0.00 H new ATOM 0 HH TYR A 12 -13.574 11.478 -17.603 1.00 0.00 H new ATOM 214 N ASP A 13 -7.364 11.998 -12.457 1.00 0.00 N ATOM 215 CA ASP A 13 -6.735 12.710 -11.304 1.00 0.00 C ATOM 216 C ASP A 13 -7.449 12.349 -9.993 1.00 0.00 C ATOM 217 O ASP A 13 -8.628 12.608 -9.835 1.00 0.00 O ATOM 218 CB ASP A 13 -6.812 14.241 -11.556 1.00 0.00 C ATOM 219 CG ASP A 13 -6.464 14.987 -10.247 1.00 0.00 C ATOM 220 OD1 ASP A 13 -5.281 15.057 -9.945 1.00 0.00 O ATOM 221 OD2 ASP A 13 -7.410 15.438 -9.620 1.00 0.00 O ATOM 0 H ASP A 13 -7.736 12.610 -13.184 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.692 12.405 -11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.119 14.527 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.812 14.517 -11.892 1.00 0.00 H new ATOM 226 N TYR A 14 -6.689 11.759 -9.106 1.00 0.00 N ATOM 227 CA TYR A 14 -7.175 11.445 -7.729 1.00 0.00 C ATOM 228 C TYR A 14 -6.277 12.159 -6.713 1.00 0.00 C ATOM 229 O TYR A 14 -5.069 12.152 -6.839 1.00 0.00 O ATOM 230 CB TYR A 14 -7.128 9.902 -7.572 1.00 0.00 C ATOM 231 CG TYR A 14 -7.000 9.425 -6.106 1.00 0.00 C ATOM 232 CD1 TYR A 14 -5.752 9.251 -5.536 1.00 0.00 C ATOM 233 CD2 TYR A 14 -8.117 9.148 -5.348 1.00 0.00 C ATOM 234 CE1 TYR A 14 -5.624 8.809 -4.236 1.00 0.00 C ATOM 235 CE2 TYR A 14 -7.991 8.706 -4.047 1.00 0.00 C ATOM 236 CZ TYR A 14 -6.744 8.531 -3.481 1.00 0.00 C ATOM 237 OH TYR A 14 -6.622 8.085 -2.180 1.00 0.00 O ATOM 0 H TYR A 14 -5.726 11.475 -9.285 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.195 11.790 -7.558 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.032 9.475 -8.005 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.286 9.514 -8.145 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.866 9.464 -6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -9.100 9.278 -5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -4.641 8.680 -3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.876 8.495 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.513 7.941 -1.799 1.00 0.00 H new ATOM 247 N LYS A 15 -6.913 12.750 -5.733 1.00 0.00 N ATOM 248 CA LYS A 15 -6.175 13.395 -4.609 1.00 0.00 C ATOM 249 C LYS A 15 -5.960 12.353 -3.512 1.00 0.00 C ATOM 250 O LYS A 15 -6.693 11.386 -3.432 1.00 0.00 O ATOM 251 CB LYS A 15 -7.025 14.574 -4.079 1.00 0.00 C ATOM 252 CG LYS A 15 -6.373 15.918 -4.447 1.00 0.00 C ATOM 253 CD LYS A 15 -6.570 16.208 -5.955 1.00 0.00 C ATOM 254 CE LYS A 15 -5.737 17.434 -6.358 1.00 0.00 C ATOM 255 NZ LYS A 15 -4.307 17.047 -6.528 1.00 0.00 N ATOM 0 H LYS A 15 -7.929 12.813 -5.665 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.207 13.772 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.029 14.523 -4.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.128 14.498 -2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.813 16.719 -3.854 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.310 15.893 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.269 15.342 -6.544 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.624 16.387 -6.166 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.121 17.855 -7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.824 18.209 -5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.773 17.852 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.908 16.777 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.241 16.242 -7.183 1.00 0.00 H new ATOM 269 N LYS A 16 -4.966 12.583 -2.693 1.00 0.00 N ATOM 270 CA LYS A 16 -4.637 11.591 -1.622 1.00 0.00 C ATOM 271 C LYS A 16 -5.468 11.930 -0.369 1.00 0.00 C ATOM 272 O LYS A 16 -5.793 13.079 -0.130 1.00 0.00 O ATOM 273 CB LYS A 16 -3.104 11.672 -1.326 1.00 0.00 C ATOM 274 CG LYS A 16 -2.799 12.789 -0.295 1.00 0.00 C ATOM 275 CD LYS A 16 -1.316 13.187 -0.336 1.00 0.00 C ATOM 276 CE LYS A 16 -0.966 14.044 0.901 1.00 0.00 C ATOM 277 NZ LYS A 16 -1.986 15.114 1.127 1.00 0.00 N ATOM 0 H LYS A 16 -4.370 13.410 -2.718 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.878 10.575 -1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.752 10.713 -0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.561 11.866 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.419 13.661 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.059 12.446 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.692 12.294 -0.359 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.106 13.746 -1.248 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.904 13.406 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.016 14.497 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.601 15.829 1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.225 15.563 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.843 14.695 1.542 1.00 0.00 H new ATOM 291 N GLU A 17 -5.782 10.906 0.382 1.00 0.00 N ATOM 292 CA GLU A 17 -6.569 11.072 1.648 1.00 0.00 C ATOM 293 C GLU A 17 -5.898 10.308 2.796 1.00 0.00 C ATOM 294 O GLU A 17 -6.145 10.570 3.957 1.00 0.00 O ATOM 295 CB GLU A 17 -7.989 10.540 1.406 1.00 0.00 C ATOM 296 CG GLU A 17 -8.960 11.054 2.499 1.00 0.00 C ATOM 297 CD GLU A 17 -10.315 10.311 2.438 1.00 0.00 C ATOM 298 OE1 GLU A 17 -10.758 10.014 1.339 1.00 0.00 O ATOM 299 OE2 GLU A 17 -10.843 10.080 3.514 1.00 0.00 O ATOM 0 H GLU A 17 -5.523 9.943 0.170 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.610 12.125 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.339 10.857 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.979 9.450 1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.511 10.916 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.123 12.124 2.370 1.00 0.00 H new ATOM 306 N ARG A 18 -5.070 9.380 2.407 1.00 0.00 N ATOM 307 CA ARG A 18 -4.281 8.570 3.376 1.00 0.00 C ATOM 308 C ARG A 18 -2.803 8.926 3.273 1.00 0.00 C ATOM 309 O ARG A 18 -2.305 9.251 2.213 1.00 0.00 O ATOM 310 CB ARG A 18 -4.507 7.078 3.056 1.00 0.00 C ATOM 311 CG ARG A 18 -4.726 6.287 4.370 1.00 0.00 C ATOM 312 CD ARG A 18 -6.224 6.258 4.780 1.00 0.00 C ATOM 313 NE ARG A 18 -6.885 7.568 4.484 1.00 0.00 N ATOM 314 CZ ARG A 18 -8.082 7.587 3.959 1.00 0.00 C ATOM 315 NH1 ARG A 18 -8.217 7.348 2.685 1.00 0.00 N ATOM 316 NH2 ARG A 18 -9.105 7.844 4.729 1.00 0.00 N ATOM 0 H ARG A 18 -4.903 9.143 1.429 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.604 8.779 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.372 6.964 2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.647 6.678 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.363 5.267 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.139 6.739 5.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.736 5.459 4.244 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.310 6.035 5.844 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.403 8.443 4.691 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.396 7.150 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.144 7.359 2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.963 8.026 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.046 7.863 4.337 1.00 0.00 H new ATOM 330 N GLU A 19 -2.153 8.843 4.402 1.00 0.00 N ATOM 331 CA GLU A 19 -0.672 9.058 4.474 1.00 0.00 C ATOM 332 C GLU A 19 0.085 7.923 3.782 1.00 0.00 C ATOM 333 O GLU A 19 1.226 8.072 3.386 1.00 0.00 O ATOM 334 CB GLU A 19 -0.258 9.137 5.956 1.00 0.00 C ATOM 335 CG GLU A 19 -1.026 10.278 6.647 1.00 0.00 C ATOM 336 CD GLU A 19 -0.397 11.632 6.264 1.00 0.00 C ATOM 337 OE1 GLU A 19 0.574 11.989 6.912 1.00 0.00 O ATOM 338 OE2 GLU A 19 -0.922 12.234 5.341 1.00 0.00 O ATOM 0 H GLU A 19 -2.592 8.631 5.298 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.422 9.986 3.960 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.468 8.190 6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.816 9.308 6.035 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.075 10.256 6.350 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.998 10.146 7.729 1.00 0.00 H new ATOM 345 N GLU A 20 -0.601 6.822 3.664 1.00 0.00 N ATOM 346 CA GLU A 20 -0.068 5.634 2.929 1.00 0.00 C ATOM 347 C GLU A 20 -0.308 5.778 1.417 1.00 0.00 C ATOM 348 O GLU A 20 0.247 5.029 0.635 1.00 0.00 O ATOM 349 CB GLU A 20 -0.774 4.383 3.450 1.00 0.00 C ATOM 350 CG GLU A 20 -0.510 4.225 4.962 1.00 0.00 C ATOM 351 CD GLU A 20 -1.626 3.363 5.577 1.00 0.00 C ATOM 352 OE1 GLU A 20 -2.693 3.922 5.779 1.00 0.00 O ATOM 353 OE2 GLU A 20 -1.351 2.197 5.812 1.00 0.00 O ATOM 0 H GLU A 20 -1.534 6.689 4.055 1.00 0.00 H new ATOM 0 HA GLU A 20 1.007 5.557 3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.846 4.455 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.416 3.503 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.461 3.758 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.481 5.203 5.443 1.00 0.00 H new ATOM 360 N ASP A 21 -1.127 6.738 1.060 1.00 0.00 N ATOM 361 CA ASP A 21 -1.408 7.024 -0.382 1.00 0.00 C ATOM 362 C ASP A 21 -0.745 8.326 -0.816 1.00 0.00 C ATOM 363 O ASP A 21 -0.607 9.248 -0.034 1.00 0.00 O ATOM 364 CB ASP A 21 -2.927 7.117 -0.577 1.00 0.00 C ATOM 365 CG ASP A 21 -3.446 5.715 -0.932 1.00 0.00 C ATOM 366 OD1 ASP A 21 -3.422 4.891 -0.031 1.00 0.00 O ATOM 367 OD2 ASP A 21 -3.833 5.546 -2.078 1.00 0.00 O ATOM 0 H ASP A 21 -1.619 7.344 1.716 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.000 6.220 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.406 7.482 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.167 7.825 -1.371 1.00 0.00 H new ATOM 372 N ILE A 22 -0.356 8.348 -2.065 1.00 0.00 N ATOM 373 CA ILE A 22 0.283 9.572 -2.656 1.00 0.00 C ATOM 374 C ILE A 22 -0.702 10.252 -3.610 1.00 0.00 C ATOM 375 O ILE A 22 -1.842 9.851 -3.742 1.00 0.00 O ATOM 376 CB ILE A 22 1.601 9.196 -3.457 1.00 0.00 C ATOM 377 CG1 ILE A 22 1.891 7.681 -3.375 1.00 0.00 C ATOM 378 CG2 ILE A 22 2.814 10.006 -2.899 1.00 0.00 C ATOM 379 CD1 ILE A 22 3.144 7.317 -4.190 1.00 0.00 C ATOM 0 H ILE A 22 -0.453 7.564 -2.710 1.00 0.00 H new ATOM 0 HA ILE A 22 0.548 10.246 -1.841 1.00 0.00 H new ATOM 0 HB ILE A 22 1.447 9.454 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.032 7.389 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.034 7.122 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.714 9.742 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.620 11.073 -3.008 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.956 9.769 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.327 6.245 -4.116 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.990 7.588 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.004 7.860 -3.797 1.00 0.00 H new ATOM 391 N ASP A 23 -0.193 11.273 -4.245 1.00 0.00 N ATOM 392 CA ASP A 23 -1.022 12.132 -5.145 1.00 0.00 C ATOM 393 C ASP A 23 -0.974 11.511 -6.545 1.00 0.00 C ATOM 394 O ASP A 23 0.099 11.230 -7.044 1.00 0.00 O ATOM 395 CB ASP A 23 -0.436 13.547 -5.188 1.00 0.00 C ATOM 396 CG ASP A 23 -0.579 14.199 -3.807 1.00 0.00 C ATOM 397 OD1 ASP A 23 -1.683 14.643 -3.533 1.00 0.00 O ATOM 398 OD2 ASP A 23 0.421 14.215 -3.107 1.00 0.00 O ATOM 0 H ASP A 23 0.785 11.555 -4.177 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.049 12.192 -4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.614 13.509 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.953 14.144 -5.940 1.00 0.00 H new ATOM 403 N LEU A 24 -2.127 11.316 -7.131 1.00 0.00 N ATOM 404 CA LEU A 24 -2.190 10.702 -8.495 1.00 0.00 C ATOM 405 C LEU A 24 -2.720 11.702 -9.522 1.00 0.00 C ATOM 406 O LEU A 24 -3.680 12.407 -9.274 1.00 0.00 O ATOM 407 CB LEU A 24 -3.113 9.464 -8.461 1.00 0.00 C ATOM 408 CG LEU A 24 -2.648 8.454 -7.370 1.00 0.00 C ATOM 409 CD1 LEU A 24 -3.649 7.258 -7.318 1.00 0.00 C ATOM 410 CD2 LEU A 24 -1.205 7.937 -7.671 1.00 0.00 C ATOM 0 H LEU A 24 -3.031 11.556 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.182 10.408 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.138 9.775 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.112 8.978 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.630 8.959 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.328 6.548 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.645 7.627 -7.074 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.674 6.762 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.902 7.233 -6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.192 7.438 -8.640 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.513 8.779 -7.688 1.00 0.00 H new ATOM 422 N HIS A 25 -2.060 11.721 -10.651 1.00 0.00 N ATOM 423 CA HIS A 25 -2.390 12.702 -11.736 1.00 0.00 C ATOM 424 C HIS A 25 -2.533 11.950 -13.066 1.00 0.00 C ATOM 425 O HIS A 25 -2.494 10.734 -13.102 1.00 0.00 O ATOM 426 CB HIS A 25 -1.263 13.782 -11.870 1.00 0.00 C ATOM 427 CG HIS A 25 -0.256 13.731 -10.721 1.00 0.00 C ATOM 428 ND1 HIS A 25 -0.535 13.789 -9.456 1.00 0.00 N ATOM 429 CD2 HIS A 25 1.117 13.618 -10.760 1.00 0.00 C ATOM 430 CE1 HIS A 25 0.561 13.718 -8.770 1.00 0.00 C ATOM 431 NE2 HIS A 25 1.618 13.610 -9.536 1.00 0.00 N ATOM 0 H HIS A 25 -1.292 11.088 -10.873 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.324 13.204 -11.484 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -0.738 13.638 -12.814 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.717 14.772 -11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.703 13.546 -11.665 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.599 13.745 -7.691 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.596 13.537 -9.255 1.00 0.00 H new ATOM 439 N LEU A 26 -2.699 12.702 -14.124 1.00 0.00 N ATOM 440 CA LEU A 26 -2.826 12.096 -15.486 1.00 0.00 C ATOM 441 C LEU A 26 -1.444 11.839 -16.095 1.00 0.00 C ATOM 442 O LEU A 26 -0.467 12.447 -15.699 1.00 0.00 O ATOM 443 CB LEU A 26 -3.637 13.064 -16.371 1.00 0.00 C ATOM 444 CG LEU A 26 -5.160 12.835 -16.115 1.00 0.00 C ATOM 445 CD1 LEU A 26 -5.946 14.155 -16.356 1.00 0.00 C ATOM 446 CD2 LEU A 26 -5.687 11.698 -17.048 1.00 0.00 C ATOM 0 H LEU A 26 -2.753 13.720 -14.103 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.338 11.136 -15.418 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.368 14.096 -16.144 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.403 12.898 -17.423 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.310 12.532 -15.079 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.007 13.985 -16.175 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.581 14.925 -15.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.802 14.482 -17.386 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.750 11.541 -16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.535 11.982 -18.089 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.144 10.776 -16.841 1.00 0.00 H new ATOM 458 N GLY A 27 -1.403 10.936 -17.042 1.00 0.00 N ATOM 459 CA GLY A 27 -0.108 10.547 -17.689 1.00 0.00 C ATOM 460 C GLY A 27 0.854 9.826 -16.730 1.00 0.00 C ATOM 461 O GLY A 27 1.902 9.368 -17.142 1.00 0.00 O ATOM 0 H GLY A 27 -2.222 10.444 -17.400 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.315 9.900 -18.541 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.379 11.441 -18.079 1.00 0.00 H new ATOM 465 N ASP A 28 0.470 9.747 -15.482 1.00 0.00 N ATOM 466 CA ASP A 28 1.297 9.033 -14.459 1.00 0.00 C ATOM 467 C ASP A 28 1.291 7.528 -14.734 1.00 0.00 C ATOM 468 O ASP A 28 0.309 6.995 -15.219 1.00 0.00 O ATOM 469 CB ASP A 28 0.713 9.317 -13.063 1.00 0.00 C ATOM 470 CG ASP A 28 1.208 10.683 -12.559 1.00 0.00 C ATOM 471 OD1 ASP A 28 0.962 11.644 -13.271 1.00 0.00 O ATOM 472 OD2 ASP A 28 1.804 10.693 -11.494 1.00 0.00 O ATOM 0 H ASP A 28 -0.394 10.152 -15.122 1.00 0.00 H new ATOM 0 HA ASP A 28 2.327 9.388 -14.507 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.376 9.308 -13.106 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.011 8.533 -12.367 1.00 0.00 H new ATOM 477 N ILE A 29 2.390 6.891 -14.415 1.00 0.00 N ATOM 478 CA ILE A 29 2.453 5.399 -14.483 1.00 0.00 C ATOM 479 C ILE A 29 3.071 4.807 -13.209 1.00 0.00 C ATOM 480 O ILE A 29 3.899 5.425 -12.567 1.00 0.00 O ATOM 481 CB ILE A 29 3.283 5.019 -15.748 1.00 0.00 C ATOM 482 CG1 ILE A 29 2.744 3.677 -16.294 1.00 0.00 C ATOM 483 CG2 ILE A 29 4.821 4.925 -15.484 1.00 0.00 C ATOM 484 CD1 ILE A 29 3.368 3.366 -17.657 1.00 0.00 C ATOM 0 H ILE A 29 3.251 7.343 -14.109 1.00 0.00 H new ATOM 0 HA ILE A 29 1.448 4.984 -14.556 1.00 0.00 H new ATOM 0 HB ILE A 29 3.163 5.818 -16.479 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.970 2.874 -15.592 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.659 3.724 -16.386 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.333 4.657 -16.408 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.189 5.888 -15.131 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.015 4.164 -14.728 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.978 2.418 -18.028 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.120 4.161 -18.361 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.451 3.298 -17.554 1.00 0.00 H new ATOM 496 N LEU A 30 2.636 3.615 -12.899 1.00 0.00 N ATOM 497 CA LEU A 30 3.068 2.900 -11.657 1.00 0.00 C ATOM 498 C LEU A 30 3.709 1.566 -12.071 1.00 0.00 C ATOM 499 O LEU A 30 3.373 1.030 -13.112 1.00 0.00 O ATOM 500 CB LEU A 30 1.826 2.653 -10.774 1.00 0.00 C ATOM 501 CG LEU A 30 1.575 3.828 -9.788 1.00 0.00 C ATOM 502 CD1 LEU A 30 1.416 5.163 -10.547 1.00 0.00 C ATOM 503 CD2 LEU A 30 0.268 3.556 -9.021 1.00 0.00 C ATOM 0 H LEU A 30 1.977 3.089 -13.473 1.00 0.00 H new ATOM 0 HA LEU A 30 3.791 3.489 -11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.950 2.518 -11.409 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.958 1.729 -10.212 1.00 0.00 H new ATOM 0 HG LEU A 30 2.427 3.901 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.241 5.969 -9.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.324 5.370 -11.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.570 5.094 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.078 4.373 -8.324 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.559 3.481 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.359 2.621 -8.468 1.00 0.00 H new ATOM 515 N THR A 31 4.606 1.073 -11.250 1.00 0.00 N ATOM 516 CA THR A 31 5.348 -0.189 -11.581 1.00 0.00 C ATOM 517 C THR A 31 5.400 -1.120 -10.355 1.00 0.00 C ATOM 518 O THR A 31 5.409 -0.648 -9.232 1.00 0.00 O ATOM 519 CB THR A 31 6.773 0.203 -12.032 1.00 0.00 C ATOM 520 OG1 THR A 31 6.592 1.127 -13.100 1.00 0.00 O ATOM 521 CG2 THR A 31 7.516 -0.986 -12.665 1.00 0.00 C ATOM 0 H THR A 31 4.859 1.494 -10.356 1.00 0.00 H new ATOM 0 HA THR A 31 4.839 -0.729 -12.380 1.00 0.00 H new ATOM 0 HB THR A 31 7.332 0.576 -11.174 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.467 1.418 -13.433 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.514 -0.671 -12.969 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.596 -1.794 -11.938 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.965 -1.337 -13.537 1.00 0.00 H new ATOM 529 N VAL A 32 5.427 -2.410 -10.610 1.00 0.00 N ATOM 530 CA VAL A 32 5.461 -3.425 -9.501 1.00 0.00 C ATOM 531 C VAL A 32 6.632 -4.392 -9.743 1.00 0.00 C ATOM 532 O VAL A 32 7.608 -4.042 -10.380 1.00 0.00 O ATOM 533 CB VAL A 32 4.088 -4.228 -9.455 1.00 0.00 C ATOM 534 CG1 VAL A 32 3.798 -4.694 -7.989 1.00 0.00 C ATOM 535 CG2 VAL A 32 2.897 -3.387 -9.983 1.00 0.00 C ATOM 0 H VAL A 32 5.427 -2.808 -11.549 1.00 0.00 H new ATOM 0 HA VAL A 32 5.598 -2.919 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 32 4.192 -5.093 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.857 -5.244 -7.961 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.606 -5.340 -7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.729 -3.823 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.983 -3.978 -9.931 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.785 -2.491 -9.372 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.085 -3.099 -11.017 1.00 0.00 H new ATOM 545 N ASN A 33 6.492 -5.584 -9.218 1.00 0.00 N ATOM 546 CA ASN A 33 7.544 -6.633 -9.348 1.00 0.00 C ATOM 547 C ASN A 33 7.464 -7.305 -10.729 1.00 0.00 C ATOM 548 O ASN A 33 6.615 -6.977 -11.536 1.00 0.00 O ATOM 549 CB ASN A 33 7.327 -7.661 -8.197 1.00 0.00 C ATOM 550 CG ASN A 33 8.594 -7.729 -7.337 1.00 0.00 C ATOM 551 OD1 ASN A 33 9.673 -8.264 -7.842 1.00 0.00 O flip ATOM 552 ND2 ASN A 33 8.613 -7.300 -6.200 1.00 0.00 N flip ATOM 0 H ASN A 33 5.670 -5.879 -8.691 1.00 0.00 H new ATOM 0 HA ASN A 33 8.540 -6.196 -9.268 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.474 -7.366 -7.586 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.100 -8.644 -8.609 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.774 -6.881 -5.799 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.468 -7.359 -5.647 1.00 0.00 H new ATOM 559 N LYS A 34 8.373 -8.219 -10.942 1.00 0.00 N ATOM 560 CA LYS A 34 8.549 -8.887 -12.269 1.00 0.00 C ATOM 561 C LYS A 34 8.410 -10.414 -12.152 1.00 0.00 C ATOM 562 O LYS A 34 8.723 -11.133 -13.082 1.00 0.00 O ATOM 563 CB LYS A 34 9.951 -8.514 -12.822 1.00 0.00 C ATOM 564 CG LYS A 34 10.907 -8.058 -11.681 1.00 0.00 C ATOM 565 CD LYS A 34 12.347 -8.037 -12.203 1.00 0.00 C ATOM 566 CE LYS A 34 13.240 -7.195 -11.268 1.00 0.00 C ATOM 567 NZ LYS A 34 13.117 -5.744 -11.592 1.00 0.00 N ATOM 0 H LYS A 34 9.024 -8.542 -10.226 1.00 0.00 H new ATOM 0 HA LYS A 34 7.770 -8.544 -12.949 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.381 -9.373 -13.338 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.853 -7.716 -13.558 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.622 -7.067 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.826 -8.736 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.733 -9.054 -12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.370 -7.622 -13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.954 -7.367 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.279 -7.509 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.725 -5.193 -10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.412 -5.582 -12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.128 -5.444 -11.473 1.00 0.00 H new ATOM 581 N GLY A 35 7.943 -10.865 -11.015 1.00 0.00 N ATOM 582 CA GLY A 35 7.681 -12.322 -10.813 1.00 0.00 C ATOM 583 C GLY A 35 7.676 -12.656 -9.323 1.00 0.00 C ATOM 584 O GLY A 35 7.934 -13.782 -8.943 1.00 0.00 O ATOM 0 H GLY A 35 7.730 -10.278 -10.209 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.722 -12.591 -11.257 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.444 -12.910 -11.322 1.00 0.00 H new ATOM 588 N SER A 36 7.380 -11.658 -8.529 1.00 0.00 N ATOM 589 CA SER A 36 7.259 -11.841 -7.056 1.00 0.00 C ATOM 590 C SER A 36 6.093 -10.969 -6.603 1.00 0.00 C ATOM 591 O SER A 36 6.240 -10.005 -5.878 1.00 0.00 O ATOM 592 CB SER A 36 8.578 -11.405 -6.382 1.00 0.00 C ATOM 593 OG SER A 36 9.547 -12.310 -6.887 1.00 0.00 O ATOM 0 H SER A 36 7.214 -10.704 -8.850 1.00 0.00 H new ATOM 0 HA SER A 36 7.077 -12.881 -6.784 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.829 -10.374 -6.630 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.508 -11.463 -5.296 1.00 0.00 H new ATOM 0 HG SER A 36 10.424 -12.098 -6.504 1.00 0.00 H new ATOM 599 N LEU A 37 4.941 -11.365 -7.075 1.00 0.00 N ATOM 600 CA LEU A 37 3.663 -10.792 -6.531 1.00 0.00 C ATOM 601 C LEU A 37 3.514 -10.952 -5.002 1.00 0.00 C ATOM 602 O LEU A 37 2.647 -10.343 -4.407 1.00 0.00 O ATOM 603 CB LEU A 37 2.439 -11.468 -7.227 1.00 0.00 C ATOM 604 CG LEU A 37 2.603 -13.007 -7.447 1.00 0.00 C ATOM 605 CD1 LEU A 37 2.589 -13.765 -6.090 1.00 0.00 C ATOM 606 CD2 LEU A 37 1.451 -13.515 -8.354 1.00 0.00 C ATOM 0 H LEU A 37 4.824 -12.059 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 37 3.697 -9.723 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.548 -11.290 -6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.273 -10.989 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 37 3.563 -13.197 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.705 -14.834 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.410 -13.411 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.642 -13.583 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.559 -14.588 -8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.494 -13.313 -7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.490 -13.001 -9.314 1.00 0.00 H new ATOM 618 N VAL A 38 4.355 -11.764 -4.412 1.00 0.00 N ATOM 619 CA VAL A 38 4.426 -11.856 -2.910 1.00 0.00 C ATOM 620 C VAL A 38 4.837 -10.526 -2.263 1.00 0.00 C ATOM 621 O VAL A 38 4.750 -10.364 -1.061 1.00 0.00 O ATOM 622 CB VAL A 38 5.451 -12.958 -2.507 1.00 0.00 C ATOM 623 CG1 VAL A 38 5.264 -13.309 -1.002 1.00 0.00 C ATOM 624 CG2 VAL A 38 5.259 -14.223 -3.390 1.00 0.00 C ATOM 0 H VAL A 38 5.004 -12.376 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 38 3.428 -12.106 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 38 6.463 -12.585 -2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.980 -14.080 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.430 -12.418 -0.397 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.251 -13.676 -0.837 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.982 -14.984 -3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.249 -14.611 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.411 -13.962 -4.437 1.00 0.00 H new ATOM 634 N ALA A 39 5.271 -9.621 -3.095 1.00 0.00 N ATOM 635 CA ALA A 39 5.484 -8.201 -2.685 1.00 0.00 C ATOM 636 C ALA A 39 4.268 -7.654 -1.924 1.00 0.00 C ATOM 637 O ALA A 39 4.420 -6.833 -1.042 1.00 0.00 O ATOM 638 CB ALA A 39 5.732 -7.338 -3.937 1.00 0.00 C ATOM 0 H ALA A 39 5.494 -9.811 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 39 6.349 -8.162 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.888 -6.301 -3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.616 -7.702 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.868 -7.400 -4.598 1.00 0.00 H new ATOM 644 N LEU A 40 3.103 -8.130 -2.293 1.00 0.00 N ATOM 645 CA LEU A 40 1.842 -7.709 -1.608 1.00 0.00 C ATOM 646 C LEU A 40 1.269 -8.858 -0.770 1.00 0.00 C ATOM 647 O LEU A 40 0.306 -8.666 -0.050 1.00 0.00 O ATOM 648 CB LEU A 40 0.830 -7.287 -2.672 1.00 0.00 C ATOM 649 CG LEU A 40 1.110 -5.854 -3.199 1.00 0.00 C ATOM 650 CD1 LEU A 40 2.516 -5.761 -3.836 1.00 0.00 C ATOM 651 CD2 LEU A 40 0.054 -5.519 -4.264 1.00 0.00 C ATOM 0 H LEU A 40 2.972 -8.801 -3.050 1.00 0.00 H new ATOM 0 HA LEU A 40 2.055 -6.876 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.861 -7.992 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.176 -7.330 -2.254 1.00 0.00 H new ATOM 0 HG LEU A 40 1.065 -5.152 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.686 -4.746 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.271 -6.012 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.584 -6.459 -4.670 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.231 -4.515 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.120 -6.238 -5.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.940 -5.566 -3.819 1.00 0.00 H new ATOM 663 N GLY A 41 1.871 -10.016 -0.886 1.00 0.00 N ATOM 664 CA GLY A 41 1.316 -11.231 -0.207 1.00 0.00 C ATOM 665 C GLY A 41 0.179 -11.863 -1.011 1.00 0.00 C ATOM 666 O GLY A 41 -0.689 -12.519 -0.467 1.00 0.00 O ATOM 0 H GLY A 41 2.724 -10.174 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.111 -11.963 -0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.953 -10.959 0.784 1.00 0.00 H new ATOM 670 N PHE A 42 0.237 -11.632 -2.292 1.00 0.00 N ATOM 671 CA PHE A 42 -0.802 -12.149 -3.231 1.00 0.00 C ATOM 672 C PHE A 42 -0.639 -13.649 -3.487 1.00 0.00 C ATOM 673 O PHE A 42 0.437 -14.199 -3.353 1.00 0.00 O ATOM 674 CB PHE A 42 -0.698 -11.375 -4.566 1.00 0.00 C ATOM 675 CG PHE A 42 -1.957 -10.518 -4.739 1.00 0.00 C ATOM 676 CD1 PHE A 42 -2.094 -9.339 -4.035 1.00 0.00 C ATOM 677 CD2 PHE A 42 -2.966 -10.918 -5.593 1.00 0.00 C ATOM 678 CE1 PHE A 42 -3.227 -8.566 -4.175 1.00 0.00 C ATOM 679 CE2 PHE A 42 -4.103 -10.149 -5.738 1.00 0.00 C ATOM 680 CZ PHE A 42 -4.234 -8.971 -5.030 1.00 0.00 C ATOM 0 H PHE A 42 0.978 -11.094 -2.740 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.782 -11.999 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.191 -10.744 -4.568 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.598 -12.071 -5.399 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.307 -9.019 -3.368 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.865 -11.837 -6.150 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.327 -7.646 -3.618 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.890 -10.469 -6.405 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.122 -8.367 -5.144 1.00 0.00 H new ATOM 690 N SER A 43 -1.738 -14.250 -3.861 1.00 0.00 N ATOM 691 CA SER A 43 -1.747 -15.698 -4.251 1.00 0.00 C ATOM 692 C SER A 43 -1.485 -15.772 -5.753 1.00 0.00 C ATOM 693 O SER A 43 -0.662 -15.038 -6.270 1.00 0.00 O ATOM 694 CB SER A 43 -3.135 -16.298 -3.868 1.00 0.00 C ATOM 695 OG SER A 43 -3.291 -15.983 -2.489 1.00 0.00 O ATOM 0 H SER A 43 -2.648 -13.793 -3.915 1.00 0.00 H new ATOM 0 HA SER A 43 -0.978 -16.273 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.935 -15.863 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.162 -17.375 -4.035 1.00 0.00 H new ATOM 0 HG SER A 43 -4.150 -16.329 -2.170 1.00 0.00 H new ATOM 701 N ASP A 44 -2.192 -16.667 -6.391 1.00 0.00 N ATOM 702 CA ASP A 44 -2.216 -16.776 -7.881 1.00 0.00 C ATOM 703 C ASP A 44 -2.084 -15.406 -8.569 1.00 0.00 C ATOM 704 O ASP A 44 -1.091 -15.163 -9.226 1.00 0.00 O ATOM 705 CB ASP A 44 -3.550 -17.456 -8.325 1.00 0.00 C ATOM 706 CG ASP A 44 -4.407 -17.918 -7.127 1.00 0.00 C ATOM 707 OD1 ASP A 44 -4.071 -18.968 -6.603 1.00 0.00 O ATOM 708 OD2 ASP A 44 -5.340 -17.198 -6.804 1.00 0.00 O ATOM 0 H ASP A 44 -2.778 -17.356 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.359 -17.377 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.126 -16.757 -8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.323 -18.314 -8.958 1.00 0.00 H new ATOM 713 N GLY A 45 -3.076 -14.566 -8.397 1.00 0.00 N ATOM 714 CA GLY A 45 -2.971 -13.144 -8.826 1.00 0.00 C ATOM 715 C GLY A 45 -2.678 -13.083 -10.314 1.00 0.00 C ATOM 716 O GLY A 45 -1.536 -13.014 -10.723 1.00 0.00 O ATOM 0 H GLY A 45 -3.968 -14.815 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.900 -12.617 -8.606 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.180 -12.642 -8.268 1.00 0.00 H new ATOM 720 N GLN A 46 -3.735 -13.109 -11.076 1.00 0.00 N ATOM 721 CA GLN A 46 -3.601 -13.065 -12.565 1.00 0.00 C ATOM 722 C GLN A 46 -2.934 -11.746 -12.998 1.00 0.00 C ATOM 723 O GLN A 46 -2.518 -11.616 -14.133 1.00 0.00 O ATOM 724 CB GLN A 46 -5.006 -13.177 -13.198 1.00 0.00 C ATOM 725 CG GLN A 46 -4.889 -13.806 -14.601 1.00 0.00 C ATOM 726 CD GLN A 46 -6.127 -13.446 -15.436 1.00 0.00 C ATOM 727 OE1 GLN A 46 -6.364 -12.301 -15.765 1.00 0.00 O ATOM 728 NE2 GLN A 46 -6.943 -14.399 -15.799 1.00 0.00 N ATOM 0 H GLN A 46 -4.694 -13.159 -10.732 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.979 -13.895 -12.900 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.653 -13.787 -12.567 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.465 -12.191 -13.267 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.987 -13.447 -15.097 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.797 -14.889 -14.518 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -6.753 -15.364 -15.528 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.770 -14.178 -16.354 1.00 0.00 H new ATOM 737 N GLU A 47 -2.854 -10.818 -12.070 1.00 0.00 N ATOM 738 CA GLU A 47 -2.133 -9.519 -12.295 1.00 0.00 C ATOM 739 C GLU A 47 -2.532 -8.873 -13.638 1.00 0.00 C ATOM 740 O GLU A 47 -1.716 -8.707 -14.526 1.00 0.00 O ATOM 741 CB GLU A 47 -0.606 -9.792 -12.263 1.00 0.00 C ATOM 742 CG GLU A 47 -0.159 -10.127 -10.831 1.00 0.00 C ATOM 743 CD GLU A 47 1.117 -10.993 -10.883 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.973 -12.160 -11.205 1.00 0.00 O ATOM 745 OE2 GLU A 47 2.168 -10.443 -10.599 1.00 0.00 O ATOM 0 H GLU A 47 -3.269 -10.909 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.410 -8.819 -11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.362 -10.618 -12.931 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.065 -8.918 -12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.033 -9.210 -10.274 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.952 -10.659 -10.306 1.00 0.00 H new ATOM 752 N ALA A 48 -3.789 -8.534 -13.747 1.00 0.00 N ATOM 753 CA ALA A 48 -4.328 -8.005 -15.040 1.00 0.00 C ATOM 754 C ALA A 48 -5.760 -7.484 -14.890 1.00 0.00 C ATOM 755 O ALA A 48 -6.303 -6.940 -15.833 1.00 0.00 O ATOM 756 CB ALA A 48 -4.278 -9.142 -16.111 1.00 0.00 C ATOM 0 H ALA A 48 -4.472 -8.600 -12.992 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.711 -7.163 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.668 -8.768 -17.057 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.247 -9.468 -16.247 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.884 -9.984 -15.776 1.00 0.00 H new ATOM 762 N LYS A 49 -6.326 -7.659 -13.721 1.00 0.00 N ATOM 763 CA LYS A 49 -7.744 -7.242 -13.480 1.00 0.00 C ATOM 764 C LYS A 49 -7.835 -6.324 -12.239 1.00 0.00 C ATOM 765 O LYS A 49 -8.209 -6.774 -11.171 1.00 0.00 O ATOM 766 CB LYS A 49 -8.591 -8.506 -13.276 1.00 0.00 C ATOM 767 CG LYS A 49 -8.844 -9.190 -14.638 1.00 0.00 C ATOM 768 CD LYS A 49 -9.040 -10.698 -14.405 1.00 0.00 C ATOM 769 CE LYS A 49 -9.907 -11.311 -15.521 1.00 0.00 C ATOM 770 NZ LYS A 49 -9.309 -11.047 -16.860 1.00 0.00 N ATOM 0 H LYS A 49 -5.862 -8.077 -12.915 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.116 -6.680 -14.337 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.079 -9.193 -12.603 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.540 -8.247 -12.806 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.726 -8.764 -15.116 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.003 -9.018 -15.309 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.071 -11.196 -14.375 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.513 -10.863 -13.437 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.002 -12.386 -15.365 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.913 -10.893 -15.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.787 -11.632 -17.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.426 -10.042 -17.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.296 -11.283 -16.841 1.00 0.00 H new ATOM 784 N PRO A 50 -7.497 -5.059 -12.399 1.00 0.00 N ATOM 785 CA PRO A 50 -7.625 -4.058 -11.304 1.00 0.00 C ATOM 786 C PRO A 50 -9.060 -3.910 -10.773 1.00 0.00 C ATOM 787 O PRO A 50 -9.278 -3.237 -9.781 1.00 0.00 O ATOM 788 CB PRO A 50 -7.096 -2.737 -11.879 1.00 0.00 C ATOM 789 CG PRO A 50 -6.603 -3.024 -13.324 1.00 0.00 C ATOM 790 CD PRO A 50 -6.955 -4.487 -13.662 1.00 0.00 C ATOM 0 HA PRO A 50 -7.053 -4.382 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.880 -1.979 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.282 -2.350 -11.266 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.078 -2.344 -14.031 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.528 -2.863 -13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.690 -4.540 -14.465 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.075 -5.036 -13.998 1.00 0.00 H new ATOM 798 N GLU A 51 -9.990 -4.543 -11.443 1.00 0.00 N ATOM 799 CA GLU A 51 -11.425 -4.436 -11.070 1.00 0.00 C ATOM 800 C GLU A 51 -11.655 -5.213 -9.766 1.00 0.00 C ATOM 801 O GLU A 51 -12.262 -4.703 -8.844 1.00 0.00 O ATOM 802 CB GLU A 51 -12.232 -4.986 -12.287 1.00 0.00 C ATOM 803 CG GLU A 51 -13.324 -6.002 -11.908 1.00 0.00 C ATOM 804 CD GLU A 51 -14.381 -5.375 -10.975 1.00 0.00 C ATOM 805 OE1 GLU A 51 -14.887 -4.324 -11.337 1.00 0.00 O ATOM 806 OE2 GLU A 51 -14.626 -5.988 -9.947 1.00 0.00 O ATOM 0 H GLU A 51 -9.806 -5.141 -12.249 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.752 -3.415 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.695 -4.149 -12.811 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.540 -5.456 -12.986 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.808 -6.371 -12.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.868 -6.862 -11.417 1.00 0.00 H new ATOM 813 N GLU A 52 -11.160 -6.424 -9.731 1.00 0.00 N ATOM 814 CA GLU A 52 -11.414 -7.318 -8.558 1.00 0.00 C ATOM 815 C GLU A 52 -10.328 -7.150 -7.495 1.00 0.00 C ATOM 816 O GLU A 52 -10.550 -7.442 -6.336 1.00 0.00 O ATOM 817 CB GLU A 52 -11.453 -8.776 -9.046 1.00 0.00 C ATOM 818 CG GLU A 52 -10.227 -9.080 -9.950 1.00 0.00 C ATOM 819 CD GLU A 52 -9.960 -10.598 -10.048 1.00 0.00 C ATOM 820 OE1 GLU A 52 -10.928 -11.340 -10.125 1.00 0.00 O ATOM 821 OE2 GLU A 52 -8.785 -10.933 -10.044 1.00 0.00 O ATOM 0 H GLU A 52 -10.587 -6.835 -10.468 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.368 -7.049 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.458 -9.452 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -12.374 -8.956 -9.600 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.399 -8.674 -10.947 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.345 -8.579 -9.550 1.00 0.00 H new ATOM 828 N ILE A 53 -9.182 -6.684 -7.924 1.00 0.00 N ATOM 829 CA ILE A 53 -8.059 -6.445 -6.966 1.00 0.00 C ATOM 830 C ILE A 53 -8.415 -5.238 -6.092 1.00 0.00 C ATOM 831 O ILE A 53 -9.015 -4.292 -6.568 1.00 0.00 O ATOM 832 CB ILE A 53 -6.765 -6.166 -7.761 1.00 0.00 C ATOM 833 CG1 ILE A 53 -6.404 -7.413 -8.618 1.00 0.00 C ATOM 834 CG2 ILE A 53 -5.601 -5.871 -6.773 1.00 0.00 C ATOM 835 CD1 ILE A 53 -5.281 -7.071 -9.617 1.00 0.00 C ATOM 0 H ILE A 53 -8.975 -6.459 -8.897 1.00 0.00 H new ATOM 0 HA ILE A 53 -7.902 -7.319 -6.334 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.920 -5.305 -8.412 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.086 -8.229 -7.969 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.286 -7.760 -9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.688 -5.674 -7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.850 -4.999 -6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.448 -6.733 -6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.040 -7.954 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.613 -6.270 -10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.395 -6.747 -9.071 1.00 0.00 H new ATOM 847 N GLY A 54 -8.030 -5.310 -4.842 1.00 0.00 N ATOM 848 CA GLY A 54 -8.380 -4.224 -3.881 1.00 0.00 C ATOM 849 C GLY A 54 -7.292 -3.152 -3.899 1.00 0.00 C ATOM 850 O GLY A 54 -7.262 -2.308 -4.772 1.00 0.00 O ATOM 0 H GLY A 54 -7.487 -6.077 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -9.341 -3.785 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.484 -4.634 -2.876 1.00 0.00 H new ATOM 854 N TRP A 55 -6.436 -3.237 -2.918 1.00 0.00 N ATOM 855 CA TRP A 55 -5.299 -2.279 -2.795 1.00 0.00 C ATOM 856 C TRP A 55 -4.076 -2.808 -3.541 1.00 0.00 C ATOM 857 O TRP A 55 -3.718 -3.963 -3.414 1.00 0.00 O ATOM 858 CB TRP A 55 -4.981 -2.094 -1.305 1.00 0.00 C ATOM 859 CG TRP A 55 -5.916 -1.009 -0.775 1.00 0.00 C ATOM 860 CD1 TRP A 55 -7.057 -1.220 -0.064 1.00 0.00 C ATOM 861 CD2 TRP A 55 -5.745 0.319 -0.953 1.00 0.00 C ATOM 862 NE1 TRP A 55 -7.501 0.005 0.141 1.00 0.00 N ATOM 863 CE2 TRP A 55 -6.783 0.999 -0.355 1.00 0.00 C ATOM 864 CE3 TRP A 55 -4.744 1.017 -1.603 1.00 0.00 C ATOM 865 CZ2 TRP A 55 -6.826 2.375 -0.406 1.00 0.00 C ATOM 866 CZ3 TRP A 55 -4.789 2.390 -1.652 1.00 0.00 C ATOM 867 CH2 TRP A 55 -5.828 3.067 -1.055 1.00 0.00 C ATOM 0 H TRP A 55 -6.477 -3.943 -2.183 1.00 0.00 H new ATOM 0 HA TRP A 55 -5.571 -1.320 -3.237 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -5.128 -3.027 -0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.939 -1.805 -1.167 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -7.491 -2.157 0.253 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.362 0.178 0.660 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.929 0.485 -2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -7.640 2.909 0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -4.009 2.938 -2.159 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -5.861 4.146 -1.096 1.00 0.00 H new ATOM 878 N LEU A 56 -3.479 -1.930 -4.303 1.00 0.00 N ATOM 879 CA LEU A 56 -2.172 -2.236 -4.957 1.00 0.00 C ATOM 880 C LEU A 56 -1.066 -1.413 -4.293 1.00 0.00 C ATOM 881 O LEU A 56 -1.328 -0.381 -3.707 1.00 0.00 O ATOM 882 CB LEU A 56 -2.258 -1.884 -6.446 1.00 0.00 C ATOM 883 CG LEU A 56 -3.406 -2.687 -7.142 1.00 0.00 C ATOM 884 CD1 LEU A 56 -4.660 -1.792 -7.291 1.00 0.00 C ATOM 885 CD2 LEU A 56 -2.954 -3.214 -8.537 1.00 0.00 C ATOM 0 H LEU A 56 -3.847 -1.000 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.944 -3.296 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.434 -0.815 -6.562 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.308 -2.105 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.650 -3.547 -6.518 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.455 -2.358 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.995 -1.468 -6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.414 -0.919 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.771 -3.769 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.682 -2.372 -9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.093 -3.871 -8.416 1.00 0.00 H new ATOM 897 N ASN A 57 0.135 -1.912 -4.417 1.00 0.00 N ATOM 898 CA ASN A 57 1.335 -1.190 -3.908 1.00 0.00 C ATOM 899 C ASN A 57 2.376 -1.179 -5.034 1.00 0.00 C ATOM 900 O ASN A 57 2.740 -2.223 -5.544 1.00 0.00 O ATOM 901 CB ASN A 57 1.874 -1.937 -2.676 1.00 0.00 C ATOM 902 CG ASN A 57 2.816 -1.052 -1.840 1.00 0.00 C ATOM 903 OD1 ASN A 57 3.269 0.072 -2.328 1.00 0.00 O flip ATOM 904 ND2 ASN A 57 3.146 -1.383 -0.718 1.00 0.00 N flip ATOM 0 H ASN A 57 0.337 -2.809 -4.859 1.00 0.00 H new ATOM 0 HA ASN A 57 1.097 -0.167 -3.616 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.040 -2.267 -2.057 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.406 -2.832 -2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.801 -2.258 -0.322 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.768 -0.786 -0.172 1.00 0.00 H new ATOM 911 N GLY A 58 2.823 0.000 -5.388 1.00 0.00 N ATOM 912 CA GLY A 58 3.920 0.113 -6.395 1.00 0.00 C ATOM 913 C GLY A 58 4.710 1.411 -6.220 1.00 0.00 C ATOM 914 O GLY A 58 4.442 2.208 -5.337 1.00 0.00 O ATOM 0 H GLY A 58 2.476 0.887 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.593 -0.739 -6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.499 0.075 -7.400 1.00 0.00 H new ATOM 918 N TYR A 59 5.672 1.558 -7.093 1.00 0.00 N ATOM 919 CA TYR A 59 6.493 2.804 -7.147 1.00 0.00 C ATOM 920 C TYR A 59 5.917 3.752 -8.212 1.00 0.00 C ATOM 921 O TYR A 59 5.728 3.367 -9.350 1.00 0.00 O ATOM 922 CB TYR A 59 7.934 2.407 -7.496 1.00 0.00 C ATOM 923 CG TYR A 59 8.928 3.452 -6.979 1.00 0.00 C ATOM 924 CD1 TYR A 59 9.330 3.440 -5.658 1.00 0.00 C ATOM 925 CD2 TYR A 59 9.440 4.411 -7.829 1.00 0.00 C ATOM 926 CE1 TYR A 59 10.232 4.374 -5.194 1.00 0.00 C ATOM 927 CE2 TYR A 59 10.341 5.344 -7.366 1.00 0.00 C ATOM 928 CZ TYR A 59 10.742 5.333 -6.044 1.00 0.00 C ATOM 929 OH TYR A 59 11.647 6.265 -5.581 1.00 0.00 O ATOM 0 H TYR A 59 5.928 0.853 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 59 6.477 3.321 -6.188 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.163 1.434 -7.061 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.036 2.305 -8.576 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.935 2.694 -4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.132 4.430 -8.864 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.541 4.355 -4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.737 6.089 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 59 11.903 6.864 -6.313 1.00 0.00 H new ATOM 939 N ASN A 60 5.658 4.963 -7.787 1.00 0.00 N ATOM 940 CA ASN A 60 5.226 6.041 -8.725 1.00 0.00 C ATOM 941 C ASN A 60 6.455 6.793 -9.259 1.00 0.00 C ATOM 942 O ASN A 60 6.846 7.821 -8.738 1.00 0.00 O ATOM 943 CB ASN A 60 4.284 6.977 -7.951 1.00 0.00 C ATOM 944 CG ASN A 60 3.700 8.045 -8.884 1.00 0.00 C ATOM 945 OD1 ASN A 60 4.331 9.033 -9.195 1.00 0.00 O ATOM 946 ND2 ASN A 60 2.492 7.888 -9.352 1.00 0.00 N ATOM 0 H ASN A 60 5.729 5.254 -6.812 1.00 0.00 H new ATOM 0 HA ASN A 60 4.702 5.628 -9.587 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.477 6.399 -7.501 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.827 7.456 -7.136 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.090 8.591 -9.971 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.950 7.062 -9.099 1.00 0.00 H new ATOM 953 N GLU A 61 7.012 6.224 -10.300 1.00 0.00 N ATOM 954 CA GLU A 61 8.207 6.810 -10.995 1.00 0.00 C ATOM 955 C GLU A 61 8.030 8.314 -11.275 1.00 0.00 C ATOM 956 O GLU A 61 8.985 9.064 -11.256 1.00 0.00 O ATOM 957 CB GLU A 61 8.433 6.069 -12.331 1.00 0.00 C ATOM 958 CG GLU A 61 8.531 4.536 -12.096 1.00 0.00 C ATOM 959 CD GLU A 61 8.867 3.768 -13.400 1.00 0.00 C ATOM 960 OE1 GLU A 61 8.372 4.165 -14.445 1.00 0.00 O ATOM 961 OE2 GLU A 61 9.610 2.807 -13.274 1.00 0.00 O ATOM 0 H GLU A 61 6.679 5.352 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 61 9.068 6.690 -10.337 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.614 6.286 -13.016 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.347 6.429 -12.803 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.297 4.332 -11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.587 4.170 -11.693 1.00 0.00 H new ATOM 968 N THR A 62 6.797 8.692 -11.523 1.00 0.00 N ATOM 969 CA THR A 62 6.464 10.109 -11.884 1.00 0.00 C ATOM 970 C THR A 62 6.963 11.093 -10.814 1.00 0.00 C ATOM 971 O THR A 62 7.571 12.094 -11.134 1.00 0.00 O ATOM 972 CB THR A 62 4.924 10.269 -12.036 1.00 0.00 C ATOM 973 OG1 THR A 62 4.458 9.100 -12.698 1.00 0.00 O ATOM 974 CG2 THR A 62 4.590 11.434 -12.994 1.00 0.00 C ATOM 0 H THR A 62 5.992 8.066 -11.490 1.00 0.00 H new ATOM 0 HA THR A 62 6.962 10.336 -12.827 1.00 0.00 H new ATOM 0 HB THR A 62 4.481 10.439 -11.055 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.481 9.055 -12.633 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.508 11.530 -13.087 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.004 12.361 -12.597 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.022 11.234 -13.974 1.00 0.00 H new ATOM 982 N THR A 63 6.685 10.764 -9.578 1.00 0.00 N ATOM 983 CA THR A 63 7.130 11.605 -8.421 1.00 0.00 C ATOM 984 C THR A 63 8.309 10.925 -7.712 1.00 0.00 C ATOM 985 O THR A 63 8.764 11.393 -6.685 1.00 0.00 O ATOM 986 CB THR A 63 5.952 11.776 -7.447 1.00 0.00 C ATOM 987 OG1 THR A 63 5.518 10.456 -7.139 1.00 0.00 O ATOM 988 CG2 THR A 63 4.742 12.459 -8.130 1.00 0.00 C ATOM 0 H THR A 63 6.158 9.931 -9.315 1.00 0.00 H new ATOM 0 HA THR A 63 7.453 12.584 -8.775 1.00 0.00 H new ATOM 0 HB THR A 63 6.272 12.372 -6.592 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.989 10.103 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.929 12.563 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.036 13.445 -8.490 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.408 11.851 -8.970 1.00 0.00 H new ATOM 996 N GLY A 64 8.761 9.841 -8.293 1.00 0.00 N ATOM 997 CA GLY A 64 9.906 9.071 -7.720 1.00 0.00 C ATOM 998 C GLY A 64 9.643 8.679 -6.261 1.00 0.00 C ATOM 999 O GLY A 64 10.446 8.968 -5.394 1.00 0.00 O ATOM 0 H GLY A 64 8.378 9.452 -9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.076 8.173 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.815 9.670 -7.779 1.00 0.00 H new ATOM 1003 N GLU A 65 8.526 8.040 -6.040 1.00 0.00 N ATOM 1004 CA GLU A 65 8.061 7.754 -4.648 1.00 0.00 C ATOM 1005 C GLU A 65 7.487 6.332 -4.584 1.00 0.00 C ATOM 1006 O GLU A 65 7.348 5.676 -5.598 1.00 0.00 O ATOM 1007 CB GLU A 65 6.979 8.788 -4.262 1.00 0.00 C ATOM 1008 CG GLU A 65 7.589 9.859 -3.347 1.00 0.00 C ATOM 1009 CD GLU A 65 6.558 10.986 -3.167 1.00 0.00 C ATOM 1010 OE1 GLU A 65 6.559 11.864 -4.014 1.00 0.00 O ATOM 1011 OE2 GLU A 65 5.825 10.906 -2.194 1.00 0.00 O ATOM 0 H GLU A 65 7.906 7.698 -6.774 1.00 0.00 H new ATOM 0 HA GLU A 65 8.895 7.826 -3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.570 9.253 -5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.152 8.291 -3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.852 9.428 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.508 10.251 -3.782 1.00 0.00 H new ATOM 1018 N ARG A 66 7.173 5.913 -3.383 1.00 0.00 N ATOM 1019 CA ARG A 66 6.627 4.541 -3.146 1.00 0.00 C ATOM 1020 C ARG A 66 5.352 4.680 -2.307 1.00 0.00 C ATOM 1021 O ARG A 66 5.410 5.180 -1.199 1.00 0.00 O ATOM 1022 CB ARG A 66 7.682 3.720 -2.389 1.00 0.00 C ATOM 1023 CG ARG A 66 7.278 2.231 -2.347 1.00 0.00 C ATOM 1024 CD ARG A 66 8.273 1.462 -1.453 1.00 0.00 C ATOM 1025 NE ARG A 66 7.940 1.738 -0.022 1.00 0.00 N ATOM 1026 CZ ARG A 66 8.878 1.730 0.886 1.00 0.00 C ATOM 1027 NH1 ARG A 66 9.555 0.633 1.094 1.00 0.00 N ATOM 1028 NH2 ARG A 66 9.107 2.821 1.564 1.00 0.00 N ATOM 0 H ARG A 66 7.275 6.477 -2.539 1.00 0.00 H new ATOM 0 HA ARG A 66 6.393 4.037 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.652 3.826 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 66 7.790 4.103 -1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.265 2.127 -1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.277 1.813 -3.354 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.215 0.393 -1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.295 1.773 -1.670 1.00 0.00 H new ATOM 0 HE ARG A 66 6.975 1.933 0.246 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.348 -0.205 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.290 0.614 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.557 3.660 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.836 2.834 2.278 1.00 0.00 H new ATOM 1042 N GLY A 67 4.241 4.245 -2.849 1.00 0.00 N ATOM 1043 CA GLY A 67 2.996 4.212 -2.021 1.00 0.00 C ATOM 1044 C GLY A 67 1.948 3.243 -2.551 1.00 0.00 C ATOM 1045 O GLY A 67 2.199 2.464 -3.453 1.00 0.00 O ATOM 0 H GLY A 67 4.142 3.917 -3.810 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.254 3.934 -0.999 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.568 5.214 -1.980 1.00 0.00 H new ATOM 1049 N ASP A 68 0.791 3.340 -1.948 1.00 0.00 N ATOM 1050 CA ASP A 68 -0.354 2.452 -2.316 1.00 0.00 C ATOM 1051 C ASP A 68 -1.353 3.231 -3.169 1.00 0.00 C ATOM 1052 O ASP A 68 -1.345 4.447 -3.193 1.00 0.00 O ATOM 1053 CB ASP A 68 -1.036 1.947 -1.027 1.00 0.00 C ATOM 1054 CG ASP A 68 -0.007 1.361 -0.033 1.00 0.00 C ATOM 1055 OD1 ASP A 68 0.998 0.834 -0.487 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -0.297 1.476 1.145 1.00 0.00 O ATOM 0 H ASP A 68 0.588 4.008 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 68 0.008 1.599 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.574 2.768 -0.553 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.774 1.186 -1.279 1.00 0.00 H new ATOM 1061 N PHE A 69 -2.190 2.489 -3.846 1.00 0.00 N ATOM 1062 CA PHE A 69 -3.280 3.103 -4.662 1.00 0.00 C ATOM 1063 C PHE A 69 -4.377 2.053 -4.914 1.00 0.00 C ATOM 1064 O PHE A 69 -4.050 0.904 -5.139 1.00 0.00 O ATOM 1065 CB PHE A 69 -2.684 3.591 -5.998 1.00 0.00 C ATOM 1066 CG PHE A 69 -2.060 2.426 -6.790 1.00 0.00 C ATOM 1067 CD1 PHE A 69 -0.872 1.841 -6.382 1.00 0.00 C ATOM 1068 CD2 PHE A 69 -2.685 1.957 -7.928 1.00 0.00 C ATOM 1069 CE1 PHE A 69 -0.321 0.805 -7.105 1.00 0.00 C ATOM 1070 CE2 PHE A 69 -2.134 0.921 -8.652 1.00 0.00 C ATOM 1071 CZ PHE A 69 -0.952 0.346 -8.241 1.00 0.00 C ATOM 0 H PHE A 69 -2.164 1.470 -3.868 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.720 3.950 -4.135 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.463 4.064 -6.596 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.926 4.350 -5.805 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.375 2.199 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.612 2.405 -8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.605 0.353 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.629 0.560 -9.541 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.520 -0.465 -8.809 1.00 0.00 H new ATOM 1081 N PRO A 70 -5.634 2.438 -4.873 1.00 0.00 N ATOM 1082 CA PRO A 70 -6.746 1.504 -5.187 1.00 0.00 C ATOM 1083 C PRO A 70 -6.733 1.138 -6.679 1.00 0.00 C ATOM 1084 O PRO A 70 -6.273 1.915 -7.492 1.00 0.00 O ATOM 1085 CB PRO A 70 -8.030 2.226 -4.786 1.00 0.00 C ATOM 1086 CG PRO A 70 -7.645 3.706 -4.501 1.00 0.00 C ATOM 1087 CD PRO A 70 -6.103 3.807 -4.526 1.00 0.00 C ATOM 0 HA PRO A 70 -6.654 0.563 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.772 2.166 -5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.473 1.765 -3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.083 4.366 -5.250 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.033 4.022 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.767 4.538 -5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.712 4.125 -3.559 1.00 0.00 H new ATOM 1095 N GLY A 71 -7.239 -0.030 -6.991 1.00 0.00 N ATOM 1096 CA GLY A 71 -7.260 -0.495 -8.418 1.00 0.00 C ATOM 1097 C GLY A 71 -8.409 0.122 -9.234 1.00 0.00 C ATOM 1098 O GLY A 71 -8.854 -0.459 -10.205 1.00 0.00 O ATOM 0 H GLY A 71 -7.640 -0.685 -6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.310 -0.244 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.349 -1.581 -8.439 1.00 0.00 H new ATOM 1102 N THR A 72 -8.849 1.285 -8.816 1.00 0.00 N ATOM 1103 CA THR A 72 -10.001 1.977 -9.447 1.00 0.00 C ATOM 1104 C THR A 72 -9.545 3.016 -10.472 1.00 0.00 C ATOM 1105 O THR A 72 -9.989 3.024 -11.601 1.00 0.00 O ATOM 1106 CB THR A 72 -10.801 2.638 -8.333 1.00 0.00 C ATOM 1107 OG1 THR A 72 -9.868 3.241 -7.448 1.00 0.00 O ATOM 1108 CG2 THR A 72 -11.564 1.591 -7.483 1.00 0.00 C ATOM 0 H THR A 72 -8.437 1.795 -8.035 1.00 0.00 H new ATOM 0 HA THR A 72 -10.612 1.255 -9.989 1.00 0.00 H new ATOM 0 HB THR A 72 -11.506 3.338 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 72 -9.821 4.203 -7.628 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.124 2.098 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 72 -12.253 1.037 -8.120 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.852 0.900 -7.032 1.00 0.00 H new ATOM 1116 N TYR A 73 -8.663 3.860 -10.019 1.00 0.00 N ATOM 1117 CA TYR A 73 -8.257 5.072 -10.809 1.00 0.00 C ATOM 1118 C TYR A 73 -7.055 4.758 -11.713 1.00 0.00 C ATOM 1119 O TYR A 73 -6.288 5.628 -12.078 1.00 0.00 O ATOM 1120 CB TYR A 73 -7.898 6.214 -9.832 1.00 0.00 C ATOM 1121 CG TYR A 73 -8.991 6.365 -8.760 1.00 0.00 C ATOM 1122 CD1 TYR A 73 -10.304 6.626 -9.110 1.00 0.00 C ATOM 1123 CD2 TYR A 73 -8.668 6.241 -7.424 1.00 0.00 C ATOM 1124 CE1 TYR A 73 -11.272 6.762 -8.139 1.00 0.00 C ATOM 1125 CE2 TYR A 73 -9.635 6.376 -6.454 1.00 0.00 C ATOM 1126 CZ TYR A 73 -10.945 6.638 -6.805 1.00 0.00 C ATOM 1127 OH TYR A 73 -11.914 6.776 -5.833 1.00 0.00 O ATOM 0 H TYR A 73 -8.193 3.766 -9.119 1.00 0.00 H new ATOM 0 HA TYR A 73 -9.088 5.376 -11.445 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.939 6.007 -9.357 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.786 7.149 -10.381 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.572 6.724 -10.152 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.647 6.036 -7.137 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.293 6.967 -8.424 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.368 6.276 -5.412 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.509 6.657 -4.948 1.00 0.00 H new ATOM 1137 N VAL A 74 -6.940 3.502 -12.048 1.00 0.00 N ATOM 1138 CA VAL A 74 -5.747 2.977 -12.788 1.00 0.00 C ATOM 1139 C VAL A 74 -6.237 1.867 -13.728 1.00 0.00 C ATOM 1140 O VAL A 74 -7.287 1.292 -13.515 1.00 0.00 O ATOM 1141 CB VAL A 74 -4.702 2.381 -11.793 1.00 0.00 C ATOM 1142 CG1 VAL A 74 -3.701 3.472 -11.316 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -5.410 1.711 -10.587 1.00 0.00 C ATOM 0 H VAL A 74 -7.643 2.794 -11.835 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.270 3.785 -13.343 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.134 1.614 -12.320 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.984 3.030 -10.624 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.171 3.880 -12.176 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.246 4.271 -10.813 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.662 1.303 -9.907 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.013 2.452 -10.061 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.054 0.907 -10.944 1.00 0.00 H new ATOM 1153 N GLU A 75 -5.447 1.602 -14.737 1.00 0.00 N ATOM 1154 CA GLU A 75 -5.765 0.514 -15.707 1.00 0.00 C ATOM 1155 C GLU A 75 -4.475 -0.243 -16.016 1.00 0.00 C ATOM 1156 O GLU A 75 -3.572 0.293 -16.627 1.00 0.00 O ATOM 1157 CB GLU A 75 -6.350 1.153 -16.987 1.00 0.00 C ATOM 1158 CG GLU A 75 -7.636 0.413 -17.388 1.00 0.00 C ATOM 1159 CD GLU A 75 -7.957 0.735 -18.856 1.00 0.00 C ATOM 1160 OE1 GLU A 75 -8.413 1.844 -19.080 1.00 0.00 O ATOM 1161 OE2 GLU A 75 -7.727 -0.144 -19.671 1.00 0.00 O ATOM 0 H GLU A 75 -4.580 2.103 -14.932 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.496 -0.183 -15.298 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -6.564 2.208 -16.815 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.622 1.103 -17.797 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.509 -0.662 -17.257 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -8.462 0.718 -16.746 1.00 0.00 H new ATOM 1168 N TYR A 76 -4.438 -1.478 -15.574 1.00 0.00 N ATOM 1169 CA TYR A 76 -3.357 -2.427 -15.985 1.00 0.00 C ATOM 1170 C TYR A 76 -3.164 -2.354 -17.505 1.00 0.00 C ATOM 1171 O TYR A 76 -4.069 -2.677 -18.249 1.00 0.00 O ATOM 1172 CB TYR A 76 -3.778 -3.846 -15.555 1.00 0.00 C ATOM 1173 CG TYR A 76 -2.859 -4.917 -16.149 1.00 0.00 C ATOM 1174 CD1 TYR A 76 -1.695 -5.284 -15.504 1.00 0.00 C ATOM 1175 CD2 TYR A 76 -3.204 -5.540 -17.332 1.00 0.00 C ATOM 1176 CE1 TYR A 76 -0.889 -6.266 -16.037 1.00 0.00 C ATOM 1177 CE2 TYR A 76 -2.399 -6.517 -17.861 1.00 0.00 C ATOM 1178 CZ TYR A 76 -1.241 -6.886 -17.218 1.00 0.00 C ATOM 1179 OH TYR A 76 -0.454 -7.883 -17.750 1.00 0.00 O ATOM 0 H TYR A 76 -5.126 -1.874 -14.933 1.00 0.00 H new ATOM 0 HA TYR A 76 -2.411 -2.167 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.762 -3.916 -14.467 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.804 -4.032 -15.871 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.416 -4.800 -14.580 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.112 -5.257 -17.843 1.00 0.00 H new ATOM 0 HE1 TYR A 76 0.020 -6.551 -15.529 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.676 -6.999 -18.787 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.746 -8.751 -17.401 1.00 0.00 H new ATOM 1189 N ILE A 77 -1.998 -1.928 -17.921 1.00 0.00 N ATOM 1190 CA ILE A 77 -1.723 -1.855 -19.391 1.00 0.00 C ATOM 1191 C ILE A 77 -1.084 -3.152 -19.881 1.00 0.00 C ATOM 1192 O ILE A 77 -1.614 -3.782 -20.776 1.00 0.00 O ATOM 1193 CB ILE A 77 -0.771 -0.655 -19.716 1.00 0.00 C ATOM 1194 CG1 ILE A 77 0.211 -0.333 -18.554 1.00 0.00 C ATOM 1195 CG2 ILE A 77 -1.612 0.597 -20.022 1.00 0.00 C ATOM 1196 CD1 ILE A 77 1.532 0.193 -19.117 1.00 0.00 C ATOM 0 H ILE A 77 -1.232 -1.631 -17.316 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.674 -1.706 -19.902 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.173 -0.946 -20.580 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.231 0.408 -17.888 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.390 -1.229 -17.960 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.951 1.433 -20.248 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.257 0.402 -20.879 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.225 0.844 -19.156 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.214 0.416 -18.297 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.978 -0.562 -19.764 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.347 1.100 -19.692 1.00 0.00 H new ATOM 1208 N GLY A 78 0.028 -3.517 -19.291 1.00 0.00 N ATOM 1209 CA GLY A 78 0.844 -4.611 -19.887 1.00 0.00 C ATOM 1210 C GLY A 78 1.823 -5.164 -18.861 1.00 0.00 C ATOM 1211 O GLY A 78 1.922 -4.670 -17.752 1.00 0.00 O ATOM 0 H GLY A 78 0.399 -3.109 -18.433 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.191 -5.408 -20.242 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.389 -4.236 -20.753 1.00 0.00 H new ATOM 1215 N ARG A 79 2.516 -6.187 -19.286 1.00 0.00 N ATOM 1216 CA ARG A 79 3.474 -6.884 -18.383 1.00 0.00 C ATOM 1217 C ARG A 79 4.617 -7.495 -19.190 1.00 0.00 C ATOM 1218 O ARG A 79 4.414 -8.089 -20.233 1.00 0.00 O ATOM 1219 CB ARG A 79 2.705 -7.980 -17.592 1.00 0.00 C ATOM 1220 CG ARG A 79 2.353 -9.250 -18.426 1.00 0.00 C ATOM 1221 CD ARG A 79 1.534 -8.938 -19.703 1.00 0.00 C ATOM 1222 NE ARG A 79 0.562 -10.052 -19.912 1.00 0.00 N ATOM 1223 CZ ARG A 79 -0.514 -9.856 -20.627 1.00 0.00 C ATOM 1224 NH1 ARG A 79 -0.413 -9.808 -21.927 1.00 0.00 N ATOM 1225 NH2 ARG A 79 -1.655 -9.720 -20.014 1.00 0.00 N ATOM 0 H ARG A 79 2.458 -6.572 -20.229 1.00 0.00 H new ATOM 0 HA ARG A 79 3.909 -6.171 -17.683 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.305 -8.279 -16.733 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.783 -7.549 -17.202 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.275 -9.757 -18.709 1.00 0.00 H new ATOM 0 HG3 ARG A 79 1.788 -9.942 -17.801 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.009 -7.989 -19.596 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.194 -8.842 -20.565 1.00 0.00 H new ATOM 0 HE ARG A 79 0.738 -10.967 -19.496 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.497 -9.923 -22.372 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.244 -9.656 -22.498 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.696 -9.767 -18.996 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.508 -9.566 -20.552 1.00 0.00 H new ATOM 1239 N LYS A 80 5.795 -7.317 -18.660 1.00 0.00 N ATOM 1240 CA LYS A 80 7.013 -7.957 -19.244 1.00 0.00 C ATOM 1241 C LYS A 80 7.702 -8.808 -18.177 1.00 0.00 C ATOM 1242 O LYS A 80 8.883 -8.676 -17.911 1.00 0.00 O ATOM 1243 CB LYS A 80 7.938 -6.835 -19.764 1.00 0.00 C ATOM 1244 CG LYS A 80 8.328 -5.846 -18.627 1.00 0.00 C ATOM 1245 CD LYS A 80 8.805 -4.502 -19.220 1.00 0.00 C ATOM 1246 CE LYS A 80 10.227 -4.648 -19.809 1.00 0.00 C ATOM 1247 NZ LYS A 80 10.262 -4.169 -21.221 1.00 0.00 N ATOM 0 H LYS A 80 5.970 -6.746 -17.833 1.00 0.00 H new ATOM 0 HA LYS A 80 6.754 -8.616 -20.073 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.840 -7.274 -20.191 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.438 -6.291 -20.565 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.472 -5.679 -17.973 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.118 -6.280 -18.014 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.114 -4.174 -19.997 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.802 -3.734 -18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.936 -4.078 -19.208 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.539 -5.691 -19.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.203 -3.779 -21.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.065 -4.964 -21.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.543 -3.430 -21.355 1.00 0.00 H new ATOM 1261 N LYS A 81 6.895 -9.666 -17.609 1.00 0.00 N ATOM 1262 CA LYS A 81 7.345 -10.547 -16.492 1.00 0.00 C ATOM 1263 C LYS A 81 8.661 -11.229 -16.876 1.00 0.00 C ATOM 1264 O LYS A 81 8.744 -11.890 -17.893 1.00 0.00 O ATOM 1265 CB LYS A 81 6.243 -11.603 -16.219 1.00 0.00 C ATOM 1266 CG LYS A 81 6.834 -12.764 -15.391 1.00 0.00 C ATOM 1267 CD LYS A 81 5.774 -13.409 -14.482 1.00 0.00 C ATOM 1268 CE LYS A 81 6.403 -14.639 -13.793 1.00 0.00 C ATOM 1269 NZ LYS A 81 6.774 -15.667 -14.809 1.00 0.00 N ATOM 0 H LYS A 81 5.920 -9.795 -17.880 1.00 0.00 H new ATOM 0 HA LYS A 81 7.513 -9.959 -15.589 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.412 -11.146 -15.682 1.00 0.00 H new ATOM 0 HB3 LYS A 81 5.845 -11.980 -17.161 1.00 0.00 H new ATOM 0 HG2 LYS A 81 7.245 -13.518 -16.062 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.659 -12.394 -14.783 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.428 -12.693 -13.737 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.904 -13.706 -15.067 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.287 -14.337 -13.231 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.699 -15.063 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.839 -16.599 -14.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.049 -15.696 -15.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.693 -15.423 -15.230 1.00 0.00 H new ATOM 1283 N ILE A 82 9.645 -11.032 -16.035 1.00 0.00 N ATOM 1284 CA ILE A 82 10.993 -11.610 -16.313 1.00 0.00 C ATOM 1285 C ILE A 82 11.630 -12.116 -15.012 1.00 0.00 C ATOM 1286 O ILE A 82 11.412 -11.563 -13.952 1.00 0.00 O ATOM 1287 CB ILE A 82 11.847 -10.488 -16.985 1.00 0.00 C ATOM 1288 CG1 ILE A 82 13.071 -11.107 -17.721 1.00 0.00 C ATOM 1289 CG2 ILE A 82 12.321 -9.408 -15.967 1.00 0.00 C ATOM 1290 CD1 ILE A 82 12.676 -11.552 -19.146 1.00 0.00 C ATOM 0 H ILE A 82 9.572 -10.497 -15.170 1.00 0.00 H new ATOM 0 HA ILE A 82 10.928 -12.469 -16.981 1.00 0.00 H new ATOM 0 HB ILE A 82 11.203 -9.987 -17.708 1.00 0.00 H new ATOM 0 HG12 ILE A 82 13.879 -10.377 -17.772 1.00 0.00 H new ATOM 0 HG13 ILE A 82 13.448 -11.961 -17.158 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.910 -8.652 -16.486 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.453 -8.937 -15.505 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.932 -9.878 -15.196 1.00 0.00 H new ATOM 0 HD11 ILE A 82 13.543 -11.982 -19.646 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.884 -12.298 -19.088 1.00 0.00 H new ATOM 0 HD13 ILE A 82 12.322 -10.690 -19.711 1.00 0.00 H new ATOM 1302 N SER A 83 12.408 -13.160 -15.132 1.00 0.00 N ATOM 1303 CA SER A 83 13.113 -13.730 -13.932 1.00 0.00 C ATOM 1304 C SER A 83 14.480 -13.050 -13.774 1.00 0.00 C ATOM 1305 O SER A 83 14.963 -12.449 -14.712 1.00 0.00 O ATOM 1306 CB SER A 83 13.307 -15.265 -14.106 1.00 0.00 C ATOM 1307 OG SER A 83 12.982 -15.582 -15.453 1.00 0.00 O ATOM 0 H SER A 83 12.590 -13.648 -16.009 1.00 0.00 H new ATOM 0 HA SER A 83 12.510 -13.549 -13.042 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.335 -15.550 -13.881 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.666 -15.814 -13.417 1.00 0.00 H new ATOM 0 HG SER A 83 13.095 -16.544 -15.599 1.00 0.00 H new ATOM 1313 N PRO A 84 15.080 -13.156 -12.607 1.00 0.00 N ATOM 1314 CA PRO A 84 16.446 -12.609 -12.385 1.00 0.00 C ATOM 1315 C PRO A 84 17.451 -13.199 -13.394 1.00 0.00 C ATOM 1316 O PRO A 84 17.453 -14.411 -13.518 1.00 0.00 O ATOM 1317 CB PRO A 84 16.810 -12.956 -10.933 1.00 0.00 C ATOM 1318 CG PRO A 84 15.621 -13.755 -10.333 1.00 0.00 C ATOM 1319 CD PRO A 84 14.500 -13.809 -11.398 1.00 0.00 C ATOM 1320 OXT PRO A 84 18.154 -12.397 -13.987 1.00 0.00 O ATOM 0 HA PRO A 84 16.478 -11.531 -12.541 1.00 0.00 H new ATOM 0 HB2 PRO A 84 17.726 -13.546 -10.898 1.00 0.00 H new ATOM 0 HB3 PRO A 84 16.993 -12.049 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 84 15.937 -14.762 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 84 15.260 -13.276 -9.423 1.00 0.00 H new ATOM 0 HD2 PRO A 84 14.206 -14.837 -11.608 1.00 0.00 H new ATOM 0 HD3 PRO A 84 13.607 -13.285 -11.057 1.00 0.00 H new TER 1328 PRO A 84