USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 937 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 77 GLN : amide:sc= -0.146 X(o=-1.2,f=-0.87) USER MOD Set 1.2: A 79 HIS : no HE2:sc= -1.05 X(o=-1.2,f=-0.87) USER MOD Single : A 1 MET CE :methyl 139:sc= -0.573 (180deg=-2.47!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.36 (180deg=-1.06) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -1.4 (180deg=-2.47!) USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 0.309 (180deg=-0.201) USER MOD Single : A 16 SER OG : rot 180:sc= 0.204 USER MOD Single : A 19 ASN : amide:sc= -0.936! C(o=-0.94!,f=-7.4!) USER MOD Single : A 20 THR OG1 : rot -101:sc= 0.345 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -175:sc= -7.88! (180deg=-8.16!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.14 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.96! USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 68:sc= 1.27 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc=-0.00152 (180deg=-1.48!) USER MOD Single : A 53 SER OG : rot -170:sc= -2.24! USER MOD Single : A 54 THR OG1 : rot 46:sc= -3.7! USER MOD Single : A 56 THR OG1 : rot 90:sc= 0.432 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 41:sc= -0.822 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 12:sc= 0.054 USER MOD Single : A 73 THR OG1 : rot 170:sc= -1.29 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.03) USER MOD Single : A 82 GLN :FLIP amide:sc= 1.11 F(o=-0.37,f=1.1) USER MOD Single : A 97 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.4!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 HIS :FLIP no HE2:sc= -0.27 F(o=-0.85,f=-0.27) USER MOD Single : A 109 HIS : no HD1:sc= -0.445 X(o=-0.44,f=0.015) USER MOD Single : A 110 HIS : no HD1:sc= -0.971 X(o=-0.97,f=-0.61) USER MOD Single : A 111 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.39) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.370 18.489 4.172 1.00 0.00 N ATOM 2 CA MET A 1 -10.400 18.812 2.717 1.00 0.00 C ATOM 3 C MET A 1 -10.348 17.516 1.907 1.00 0.00 C ATOM 4 O MET A 1 -11.195 17.259 1.073 1.00 0.00 O ATOM 5 CB MET A 1 -9.194 19.684 2.362 1.00 0.00 C ATOM 6 CG MET A 1 -9.097 20.848 3.349 1.00 0.00 C ATOM 7 SD MET A 1 -8.041 20.374 4.741 1.00 0.00 S ATOM 8 CE MET A 1 -6.521 20.118 3.793 1.00 0.00 C ATOM 0 H1 MET A 1 -11.161 18.966 4.650 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.457 17.461 4.301 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.471 18.814 4.581 1.00 0.00 H new ATOM 0 HA MET A 1 -11.318 19.351 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.281 19.090 2.393 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.293 20.063 1.345 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.688 21.727 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.090 21.118 3.708 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.674 20.522 4.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.371 19.051 3.627 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.601 20.626 2.832 1.00 0.00 H new ATOM 20 N GLU A 2 -9.360 16.697 2.142 1.00 0.00 N ATOM 21 CA GLU A 2 -9.256 15.419 1.383 1.00 0.00 C ATOM 22 C GLU A 2 -9.932 14.295 2.174 1.00 0.00 C ATOM 23 O GLU A 2 -10.112 14.404 3.372 1.00 0.00 O ATOM 24 CB GLU A 2 -7.780 15.073 1.166 1.00 0.00 C ATOM 25 CG GLU A 2 -6.986 16.356 0.915 1.00 0.00 C ATOM 26 CD GLU A 2 -7.495 17.030 -0.360 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.498 17.718 -0.282 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.873 16.845 -1.393 1.00 0.00 O ATOM 0 H GLU A 2 -8.621 16.857 2.826 1.00 0.00 H new ATOM 0 HA GLU A 2 -9.750 15.530 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.385 14.554 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.675 14.396 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.090 17.033 1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.925 16.127 0.819 1.00 0.00 H new ATOM 35 N PRO A 3 -10.288 13.245 1.477 1.00 0.00 N ATOM 36 CA PRO A 3 -10.942 12.097 2.088 1.00 0.00 C ATOM 37 C PRO A 3 -10.149 11.619 3.307 1.00 0.00 C ATOM 38 O PRO A 3 -9.228 12.273 3.754 1.00 0.00 O ATOM 39 CB PRO A 3 -10.944 11.034 0.994 1.00 0.00 C ATOM 40 CG PRO A 3 -10.879 11.867 -0.324 1.00 0.00 C ATOM 41 CD PRO A 3 -10.057 13.140 0.027 1.00 0.00 C ATOM 0 HA PRO A 3 -11.947 12.326 2.442 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.091 10.362 1.086 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.842 10.417 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.402 11.300 -1.123 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.878 12.129 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -9.000 13.025 -0.213 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.412 14.019 -0.510 1.00 0.00 H new ATOM 49 N LYS A 4 -10.496 10.483 3.846 1.00 0.00 N ATOM 50 CA LYS A 4 -9.759 9.967 5.034 1.00 0.00 C ATOM 51 C LYS A 4 -9.061 8.655 4.669 1.00 0.00 C ATOM 52 O LYS A 4 -9.514 7.582 5.017 1.00 0.00 O ATOM 53 CB LYS A 4 -10.744 9.720 6.180 1.00 0.00 C ATOM 54 CG LYS A 4 -11.750 8.643 5.769 1.00 0.00 C ATOM 55 CD LYS A 4 -13.107 8.942 6.409 1.00 0.00 C ATOM 56 CE LYS A 4 -14.187 8.090 5.740 1.00 0.00 C ATOM 57 NZ LYS A 4 -15.317 7.886 6.691 1.00 0.00 N ATOM 0 H LYS A 4 -11.257 9.890 3.516 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.016 10.700 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.206 9.407 7.074 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.266 10.644 6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.846 8.615 4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.396 7.661 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.072 8.729 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.346 10.000 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.544 8.581 4.834 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.772 7.128 5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.052 7.307 6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.970 7.401 7.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.718 8.808 6.957 1.00 0.00 H new ATOM 71 N ARG A 5 -7.962 8.731 3.968 1.00 0.00 N ATOM 72 CA ARG A 5 -7.236 7.490 3.580 1.00 0.00 C ATOM 73 C ARG A 5 -7.152 6.549 4.784 1.00 0.00 C ATOM 74 O ARG A 5 -6.774 6.945 5.868 1.00 0.00 O ATOM 75 CB ARG A 5 -5.822 7.846 3.116 1.00 0.00 C ATOM 76 CG ARG A 5 -5.893 8.938 2.047 1.00 0.00 C ATOM 77 CD ARG A 5 -5.178 10.193 2.549 1.00 0.00 C ATOM 78 NE ARG A 5 -6.065 11.376 2.371 1.00 0.00 N ATOM 79 CZ ARG A 5 -5.801 12.489 2.998 1.00 0.00 C ATOM 80 NH1 ARG A 5 -4.945 13.335 2.496 1.00 0.00 N ATOM 81 NH2 ARG A 5 -6.397 12.758 4.128 1.00 0.00 N ATOM 0 H ARG A 5 -7.536 9.601 3.647 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.772 6.998 2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.226 8.189 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.326 6.962 2.715 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.431 8.588 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.933 9.168 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.914 10.078 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.247 10.338 2.001 1.00 0.00 H new ATOM 0 HE ARG A 5 -6.879 11.316 1.759 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.481 13.127 1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.740 14.205 2.987 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.069 12.098 4.520 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.191 13.628 4.619 1.00 0.00 H new ATOM 95 N ILE A 6 -7.499 5.305 4.601 1.00 0.00 N ATOM 96 CA ILE A 6 -7.435 4.342 5.737 1.00 0.00 C ATOM 97 C ILE A 6 -6.098 4.506 6.463 1.00 0.00 C ATOM 98 O ILE A 6 -6.042 4.573 7.675 1.00 0.00 O ATOM 99 CB ILE A 6 -7.555 2.911 5.206 1.00 0.00 C ATOM 100 CG1 ILE A 6 -8.685 2.835 4.174 1.00 0.00 C ATOM 101 CG2 ILE A 6 -7.862 1.961 6.364 1.00 0.00 C ATOM 102 CD1 ILE A 6 -9.921 3.565 4.706 1.00 0.00 C ATOM 0 H ILE A 6 -7.823 4.914 3.717 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.254 4.540 6.428 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.615 2.623 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.363 3.283 3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.929 1.794 3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.947 0.942 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.057 2.010 7.098 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.801 2.253 6.835 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.722 3.509 3.969 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.248 3.097 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.674 4.610 4.894 1.00 0.00 H new ATOM 114 N ARG A 7 -5.022 4.574 5.728 1.00 0.00 N ATOM 115 CA ARG A 7 -3.688 4.739 6.372 1.00 0.00 C ATOM 116 C ARG A 7 -2.862 5.751 5.581 1.00 0.00 C ATOM 117 O ARG A 7 -3.034 5.910 4.388 1.00 0.00 O ATOM 118 CB ARG A 7 -2.951 3.403 6.382 1.00 0.00 C ATOM 119 CG ARG A 7 -1.834 3.450 7.423 1.00 0.00 C ATOM 120 CD ARG A 7 -2.326 2.820 8.722 1.00 0.00 C ATOM 121 NE ARG A 7 -2.917 3.875 9.594 1.00 0.00 N ATOM 122 CZ ARG A 7 -2.143 4.600 10.355 1.00 0.00 C ATOM 123 NH1 ARG A 7 -1.285 4.024 11.151 1.00 0.00 N ATOM 124 NH2 ARG A 7 -2.228 5.901 10.319 1.00 0.00 N ATOM 0 H ARG A 7 -5.009 4.522 4.709 1.00 0.00 H new ATOM 0 HA ARG A 7 -3.828 5.090 7.395 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.644 2.594 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -2.536 3.196 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.957 2.916 7.056 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.529 4.482 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.069 2.052 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.500 2.329 9.236 1.00 0.00 H new ATOM 0 HE ARG A 7 -3.925 4.030 9.596 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.219 3.007 11.179 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.680 4.591 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.899 6.351 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.624 6.468 10.913 1.00 0.00 H new ATOM 138 N GLU A 8 -1.955 6.424 6.229 1.00 0.00 N ATOM 139 CA GLU A 8 -1.109 7.409 5.507 1.00 0.00 C ATOM 140 C GLU A 8 0.132 7.714 6.334 1.00 0.00 C ATOM 141 O GLU A 8 0.055 8.116 7.478 1.00 0.00 O ATOM 142 CB GLU A 8 -1.891 8.696 5.265 1.00 0.00 C ATOM 143 CG GLU A 8 -2.615 9.112 6.548 1.00 0.00 C ATOM 144 CD GLU A 8 -4.003 8.472 6.580 1.00 0.00 C ATOM 145 OE1 GLU A 8 -4.923 9.074 6.050 1.00 0.00 O ATOM 146 OE2 GLU A 8 -4.124 7.392 7.134 1.00 0.00 O ATOM 0 H GLU A 8 -1.764 6.334 7.227 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.814 6.988 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.215 9.489 4.945 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.612 8.548 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.039 8.802 7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.702 10.198 6.594 1.00 0.00 H new ATOM 153 N GLY A 9 1.279 7.522 5.756 1.00 0.00 N ATOM 154 CA GLY A 9 2.541 7.793 6.489 1.00 0.00 C ATOM 155 C GLY A 9 3.663 8.024 5.482 1.00 0.00 C ATOM 156 O GLY A 9 3.453 8.567 4.417 1.00 0.00 O ATOM 0 H GLY A 9 1.398 7.186 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.424 8.668 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.786 6.953 7.139 1.00 0.00 H new ATOM 160 N TYR A 10 4.852 7.612 5.808 1.00 0.00 N ATOM 161 CA TYR A 10 5.990 7.811 4.868 1.00 0.00 C ATOM 162 C TYR A 10 6.934 6.608 4.928 1.00 0.00 C ATOM 163 O TYR A 10 7.838 6.558 5.738 1.00 0.00 O ATOM 164 CB TYR A 10 6.758 9.075 5.258 1.00 0.00 C ATOM 165 CG TYR A 10 7.342 8.907 6.641 1.00 0.00 C ATOM 166 CD1 TYR A 10 6.496 8.875 7.757 1.00 0.00 C ATOM 167 CD2 TYR A 10 8.727 8.785 6.806 1.00 0.00 C ATOM 168 CE1 TYR A 10 7.036 8.721 9.041 1.00 0.00 C ATOM 169 CE2 TYR A 10 9.268 8.632 8.090 1.00 0.00 C ATOM 170 CZ TYR A 10 8.422 8.599 9.208 1.00 0.00 C ATOM 171 OH TYR A 10 8.954 8.448 10.472 1.00 0.00 O ATOM 0 H TYR A 10 5.088 7.146 6.684 1.00 0.00 H new ATOM 0 HA TYR A 10 5.601 7.913 3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.553 9.266 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.093 9.938 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.428 8.969 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 10 9.378 8.809 5.945 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.384 8.696 9.902 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.336 8.540 8.218 1.00 0.00 H new ATOM 0 HH TYR A 10 9.929 8.377 10.410 1.00 0.00 H new ATOM 181 N LEU A 11 6.747 5.646 4.066 1.00 0.00 N ATOM 182 CA LEU A 11 7.658 4.462 4.077 1.00 0.00 C ATOM 183 C LEU A 11 8.430 4.439 2.759 1.00 0.00 C ATOM 184 O LEU A 11 8.084 5.131 1.824 1.00 0.00 O ATOM 185 CB LEU A 11 6.872 3.145 4.214 1.00 0.00 C ATOM 186 CG LEU A 11 5.635 3.298 5.114 1.00 0.00 C ATOM 187 CD1 LEU A 11 5.855 4.364 6.191 1.00 0.00 C ATOM 188 CD2 LEU A 11 4.439 3.674 4.243 1.00 0.00 C ATOM 0 H LEU A 11 6.011 5.626 3.360 1.00 0.00 H new ATOM 0 HA LEU A 11 8.330 4.547 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.561 2.805 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.525 2.375 4.625 1.00 0.00 H new ATOM 0 HG LEU A 11 5.450 2.352 5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.961 4.446 6.809 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.703 4.081 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.058 5.324 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.554 3.786 4.869 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.643 4.615 3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.265 2.890 3.506 1.00 0.00 H new ATOM 200 N VAL A 12 9.465 3.652 2.665 1.00 0.00 N ATOM 201 CA VAL A 12 10.237 3.603 1.390 1.00 0.00 C ATOM 202 C VAL A 12 9.660 2.510 0.493 1.00 0.00 C ATOM 203 O VAL A 12 9.366 1.418 0.935 1.00 0.00 O ATOM 204 CB VAL A 12 11.712 3.319 1.689 1.00 0.00 C ATOM 205 CG1 VAL A 12 11.818 2.213 2.737 1.00 0.00 C ATOM 206 CG2 VAL A 12 12.423 2.877 0.407 1.00 0.00 C ATOM 0 H VAL A 12 9.809 3.045 3.409 1.00 0.00 H new ATOM 0 HA VAL A 12 10.162 4.563 0.879 1.00 0.00 H new ATOM 0 HB VAL A 12 12.183 4.226 2.069 1.00 0.00 H new ATOM 0 HG11 VAL A 12 12.868 2.012 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 12 11.317 2.530 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.344 1.307 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.472 2.676 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 12 11.952 1.972 0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 12 12.352 3.668 -0.340 1.00 0.00 H new ATOM 216 N LYS A 13 9.490 2.803 -0.767 1.00 0.00 N ATOM 217 CA LYS A 13 8.921 1.783 -1.695 1.00 0.00 C ATOM 218 C LYS A 13 9.845 1.615 -2.901 1.00 0.00 C ATOM 219 O LYS A 13 10.254 2.577 -3.521 1.00 0.00 O ATOM 220 CB LYS A 13 7.541 2.241 -2.170 1.00 0.00 C ATOM 221 CG LYS A 13 6.463 1.346 -1.557 1.00 0.00 C ATOM 222 CD LYS A 13 5.609 0.738 -2.671 1.00 0.00 C ATOM 223 CE LYS A 13 4.914 -0.523 -2.155 1.00 0.00 C ATOM 224 NZ LYS A 13 3.796 -0.138 -1.247 1.00 0.00 N ATOM 0 H LYS A 13 9.719 3.701 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 13 8.830 0.830 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.373 3.279 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.487 2.199 -3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.925 0.555 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.836 1.926 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.867 1.461 -3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.234 0.495 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.532 -1.109 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.628 -1.153 -1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.724 -0.829 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.979 0.807 -0.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.904 -0.123 -1.782 1.00 0.00 H new ATOM 238 N LYS A 14 10.172 0.400 -3.241 1.00 0.00 N ATOM 239 CA LYS A 14 11.067 0.172 -4.413 1.00 0.00 C ATOM 240 C LYS A 14 10.217 -0.109 -5.656 1.00 0.00 C ATOM 241 O LYS A 14 9.234 -0.822 -5.600 1.00 0.00 O ATOM 242 CB LYS A 14 11.985 -1.023 -4.130 1.00 0.00 C ATOM 243 CG LYS A 14 12.615 -1.519 -5.432 1.00 0.00 C ATOM 244 CD LYS A 14 13.703 -2.544 -5.113 1.00 0.00 C ATOM 245 CE LYS A 14 14.524 -2.831 -6.369 1.00 0.00 C ATOM 246 NZ LYS A 14 13.849 -3.889 -7.173 1.00 0.00 N ATOM 0 H LYS A 14 9.860 -0.444 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 14 11.676 1.059 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.765 -0.734 -3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 14 11.416 -1.827 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.853 -1.968 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.040 -0.681 -5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.351 -2.167 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.252 -3.465 -4.744 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.632 -1.922 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.528 -3.153 -6.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.477 -4.713 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.967 -4.174 -6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.631 -3.519 -8.120 1.00 0.00 H new ATOM 260 N GLY A 15 10.588 0.444 -6.778 1.00 0.00 N ATOM 261 CA GLY A 15 9.802 0.209 -8.022 1.00 0.00 C ATOM 262 C GLY A 15 9.559 1.541 -8.738 1.00 0.00 C ATOM 263 O GLY A 15 8.974 1.585 -9.802 1.00 0.00 O ATOM 0 H GLY A 15 11.402 1.049 -6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.339 -0.476 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.850 -0.263 -7.779 1.00 0.00 H new ATOM 267 N SER A 16 10.002 2.627 -8.164 1.00 0.00 N ATOM 268 CA SER A 16 9.792 3.951 -8.815 1.00 0.00 C ATOM 269 C SER A 16 10.785 4.118 -9.969 1.00 0.00 C ATOM 270 O SER A 16 10.529 3.705 -11.082 1.00 0.00 O ATOM 271 CB SER A 16 10.007 5.065 -7.788 1.00 0.00 C ATOM 272 OG SER A 16 11.128 4.744 -6.975 1.00 0.00 O ATOM 0 H SER A 16 10.499 2.654 -7.274 1.00 0.00 H new ATOM 0 HA SER A 16 8.775 4.007 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.171 6.016 -8.295 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.117 5.183 -7.170 1.00 0.00 H new ATOM 0 HG SER A 16 11.270 5.456 -6.317 1.00 0.00 H new ATOM 278 N VAL A 17 11.916 4.719 -9.714 1.00 0.00 N ATOM 279 CA VAL A 17 12.919 4.909 -10.799 1.00 0.00 C ATOM 280 C VAL A 17 13.970 3.799 -10.718 1.00 0.00 C ATOM 281 O VAL A 17 14.778 3.762 -9.811 1.00 0.00 O ATOM 282 CB VAL A 17 13.601 6.268 -10.632 1.00 0.00 C ATOM 283 CG1 VAL A 17 14.345 6.305 -9.297 1.00 0.00 C ATOM 284 CG2 VAL A 17 14.595 6.482 -11.776 1.00 0.00 C ATOM 0 H VAL A 17 12.188 5.086 -8.802 1.00 0.00 H new ATOM 0 HA VAL A 17 12.420 4.870 -11.767 1.00 0.00 H new ATOM 0 HB VAL A 17 12.849 7.057 -10.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.831 7.273 -9.178 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.638 6.151 -8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.097 5.517 -9.278 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.082 7.450 -11.659 1.00 0.00 H new ATOM 0 HG22 VAL A 17 15.347 5.693 -11.757 1.00 0.00 H new ATOM 0 HG23 VAL A 17 14.065 6.456 -12.728 1.00 0.00 H new ATOM 294 N PHE A 18 13.965 2.893 -11.657 1.00 0.00 N ATOM 295 CA PHE A 18 14.963 1.787 -11.628 1.00 0.00 C ATOM 296 C PHE A 18 14.806 0.998 -10.327 1.00 0.00 C ATOM 297 O PHE A 18 13.969 1.304 -9.502 1.00 0.00 O ATOM 298 CB PHE A 18 16.375 2.371 -11.700 1.00 0.00 C ATOM 299 CG PHE A 18 16.752 2.601 -13.145 1.00 0.00 C ATOM 300 CD1 PHE A 18 15.761 2.897 -14.090 1.00 0.00 C ATOM 301 CD2 PHE A 18 18.095 2.518 -13.539 1.00 0.00 C ATOM 302 CE1 PHE A 18 16.112 3.111 -15.429 1.00 0.00 C ATOM 303 CE2 PHE A 18 18.445 2.731 -14.879 1.00 0.00 C ATOM 304 CZ PHE A 18 17.454 3.028 -15.823 1.00 0.00 C ATOM 0 H PHE A 18 13.314 2.871 -12.442 1.00 0.00 H new ATOM 0 HA PHE A 18 14.799 1.126 -12.479 1.00 0.00 H new ATOM 0 HB2 PHE A 18 16.421 3.309 -11.147 1.00 0.00 H new ATOM 0 HB3 PHE A 18 17.086 1.690 -11.231 1.00 0.00 H new ATOM 0 HD1 PHE A 18 14.727 2.960 -13.786 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.859 2.290 -12.810 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.348 3.340 -16.158 1.00 0.00 H new ATOM 0 HE2 PHE A 18 19.479 2.666 -15.184 1.00 0.00 H new ATOM 0 HZ PHE A 18 17.724 3.193 -16.855 1.00 0.00 H new ATOM 314 N ASN A 19 15.607 -0.014 -10.135 1.00 0.00 N ATOM 315 CA ASN A 19 15.501 -0.817 -8.886 1.00 0.00 C ATOM 316 C ASN A 19 16.272 -0.116 -7.764 1.00 0.00 C ATOM 317 O ASN A 19 17.444 -0.361 -7.554 1.00 0.00 O ATOM 318 CB ASN A 19 16.090 -2.210 -9.122 1.00 0.00 C ATOM 319 CG ASN A 19 17.582 -2.093 -9.441 1.00 0.00 C ATOM 320 OD1 ASN A 19 18.018 -1.111 -10.009 1.00 0.00 O ATOM 321 ND2 ASN A 19 18.388 -3.060 -9.098 1.00 0.00 N ATOM 0 H ASN A 19 16.329 -0.318 -10.788 1.00 0.00 H new ATOM 0 HA ASN A 19 14.453 -0.912 -8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 19 15.945 -2.831 -8.238 1.00 0.00 H new ATOM 0 HB3 ASN A 19 15.570 -2.700 -9.945 1.00 0.00 H new ATOM 0 HD21 ASN A 19 19.384 -2.992 -9.307 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.022 -3.884 -8.621 1.00 0.00 H new ATOM 328 N THR A 20 15.625 0.760 -7.045 1.00 0.00 N ATOM 329 CA THR A 20 16.322 1.478 -5.942 1.00 0.00 C ATOM 330 C THR A 20 15.463 1.439 -4.675 1.00 0.00 C ATOM 331 O THR A 20 14.506 0.695 -4.586 1.00 0.00 O ATOM 332 CB THR A 20 16.562 2.932 -6.352 1.00 0.00 C ATOM 333 OG1 THR A 20 15.355 3.485 -6.858 1.00 0.00 O ATOM 334 CG2 THR A 20 17.643 2.989 -7.431 1.00 0.00 C ATOM 0 H THR A 20 14.644 1.009 -7.174 1.00 0.00 H new ATOM 0 HA THR A 20 17.278 0.993 -5.743 1.00 0.00 H new ATOM 0 HB THR A 20 16.889 3.505 -5.484 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.385 3.495 -7.837 1.00 0.00 H new ATOM 0 HG21 THR A 20 17.813 4.026 -7.722 1.00 0.00 H new ATOM 0 HG22 THR A 20 18.569 2.565 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 20 17.320 2.417 -8.300 1.00 0.00 H new ATOM 342 N TRP A 21 15.801 2.230 -3.694 1.00 0.00 N ATOM 343 CA TRP A 21 15.008 2.237 -2.431 1.00 0.00 C ATOM 344 C TRP A 21 14.995 3.647 -1.842 1.00 0.00 C ATOM 345 O TRP A 21 16.022 4.183 -1.473 1.00 0.00 O ATOM 346 CB TRP A 21 15.649 1.275 -1.430 1.00 0.00 C ATOM 347 CG TRP A 21 14.884 -0.007 -1.425 1.00 0.00 C ATOM 348 CD1 TRP A 21 14.854 -0.898 -2.441 1.00 0.00 C ATOM 349 CD2 TRP A 21 14.039 -0.554 -0.374 1.00 0.00 C ATOM 350 NE1 TRP A 21 14.037 -1.954 -2.084 1.00 0.00 N ATOM 351 CE2 TRP A 21 13.514 -1.790 -0.818 1.00 0.00 C ATOM 352 CE3 TRP A 21 13.681 -0.101 0.910 1.00 0.00 C ATOM 353 CZ2 TRP A 21 12.661 -2.549 -0.018 1.00 0.00 C ATOM 354 CZ3 TRP A 21 12.823 -0.863 1.719 1.00 0.00 C ATOM 355 CH2 TRP A 21 12.313 -2.085 1.255 1.00 0.00 C ATOM 0 H TRP A 21 16.593 2.873 -3.712 1.00 0.00 H new ATOM 0 HA TRP A 21 13.985 1.923 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 21 16.689 1.091 -1.699 1.00 0.00 H new ATOM 0 HB3 TRP A 21 15.650 1.716 -0.433 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.382 -0.801 -3.378 1.00 0.00 H new ATOM 0 HE1 TRP A 21 13.844 -2.757 -2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 21 14.069 0.839 1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 12.271 -3.489 -0.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 12.554 -0.507 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.652 -2.667 1.880 1.00 0.00 H new ATOM 366 N LYS A 22 13.843 4.257 -1.747 1.00 0.00 N ATOM 367 CA LYS A 22 13.781 5.633 -1.180 1.00 0.00 C ATOM 368 C LYS A 22 12.446 5.841 -0.446 1.00 0.00 C ATOM 369 O LYS A 22 11.403 5.446 -0.938 1.00 0.00 O ATOM 370 CB LYS A 22 13.896 6.656 -2.313 1.00 0.00 C ATOM 371 CG LYS A 22 15.058 6.278 -3.234 1.00 0.00 C ATOM 372 CD LYS A 22 15.500 7.507 -4.029 1.00 0.00 C ATOM 373 CE LYS A 22 16.209 7.059 -5.309 1.00 0.00 C ATOM 374 NZ LYS A 22 17.016 8.188 -5.851 1.00 0.00 N ATOM 0 H LYS A 22 12.948 3.863 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 22 14.603 5.765 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.966 6.690 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.055 7.653 -1.901 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.891 5.893 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.753 5.482 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.636 8.124 -4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.169 8.122 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.853 6.205 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.477 6.734 -6.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.498 7.884 -6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.390 8.991 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.724 8.478 -5.147 1.00 0.00 H new ATOM 388 N PRO A 23 12.514 6.468 0.711 1.00 0.00 N ATOM 389 CA PRO A 23 11.325 6.754 1.504 1.00 0.00 C ATOM 390 C PRO A 23 10.323 7.558 0.666 1.00 0.00 C ATOM 391 O PRO A 23 10.680 8.164 -0.325 1.00 0.00 O ATOM 392 CB PRO A 23 11.830 7.598 2.670 1.00 0.00 C ATOM 393 CG PRO A 23 13.343 7.236 2.760 1.00 0.00 C ATOM 394 CD PRO A 23 13.782 6.920 1.304 1.00 0.00 C ATOM 0 HA PRO A 23 10.818 5.849 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.683 8.662 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.305 7.358 3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 23 13.920 8.063 3.173 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.503 6.378 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 23 14.183 7.797 0.796 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.552 6.149 1.265 1.00 0.00 H new ATOM 402 N MET A 24 9.079 7.583 1.058 1.00 0.00 N ATOM 403 CA MET A 24 8.074 8.362 0.282 1.00 0.00 C ATOM 404 C MET A 24 6.756 8.418 1.052 1.00 0.00 C ATOM 405 O MET A 24 6.549 7.689 2.007 1.00 0.00 O ATOM 406 CB MET A 24 7.835 7.702 -1.077 1.00 0.00 C ATOM 407 CG MET A 24 7.265 6.297 -0.886 1.00 0.00 C ATOM 408 SD MET A 24 7.408 5.376 -2.438 1.00 0.00 S ATOM 409 CE MET A 24 6.094 6.233 -3.341 1.00 0.00 C ATOM 0 H MET A 24 8.716 7.099 1.879 1.00 0.00 H new ATOM 0 HA MET A 24 8.453 9.373 0.132 1.00 0.00 H new ATOM 0 HB2 MET A 24 7.145 8.306 -1.667 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.770 7.651 -1.634 1.00 0.00 H new ATOM 0 HG2 MET A 24 7.803 5.779 -0.092 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.221 6.355 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.949 5.757 -4.311 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.167 6.183 -2.770 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.374 7.276 -3.487 1.00 0.00 H new ATOM 419 N TRP A 25 5.857 9.268 0.635 1.00 0.00 N ATOM 420 CA TRP A 25 4.549 9.363 1.331 1.00 0.00 C ATOM 421 C TRP A 25 3.597 8.371 0.698 1.00 0.00 C ATOM 422 O TRP A 25 3.625 8.139 -0.493 1.00 0.00 O ATOM 423 CB TRP A 25 3.983 10.777 1.187 1.00 0.00 C ATOM 424 CG TRP A 25 2.868 10.974 2.165 1.00 0.00 C ATOM 425 CD1 TRP A 25 1.557 11.082 1.844 1.00 0.00 C ATOM 426 CD2 TRP A 25 2.944 11.089 3.613 1.00 0.00 C ATOM 427 NE1 TRP A 25 0.826 11.263 3.007 1.00 0.00 N ATOM 428 CE2 TRP A 25 1.638 11.275 4.124 1.00 0.00 C ATOM 429 CE3 TRP A 25 4.015 11.053 4.522 1.00 0.00 C ATOM 430 CZ2 TRP A 25 1.404 11.421 5.493 1.00 0.00 C ATOM 431 CZ3 TRP A 25 3.786 11.197 5.900 1.00 0.00 C ATOM 432 CH2 TRP A 25 2.482 11.383 6.385 1.00 0.00 C ATOM 0 H TRP A 25 5.975 9.899 -0.158 1.00 0.00 H new ATOM 0 HA TRP A 25 4.676 9.142 2.391 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.768 11.513 1.362 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.621 10.933 0.171 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.148 11.035 0.845 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -0.188 11.374 3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.022 10.913 4.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 0.398 11.562 5.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.617 11.164 6.589 1.00 0.00 H new ATOM 0 HH2 TRP A 25 2.311 11.497 7.445 1.00 0.00 H new ATOM 443 N VAL A 26 2.776 7.758 1.485 1.00 0.00 N ATOM 444 CA VAL A 26 1.850 6.754 0.916 1.00 0.00 C ATOM 445 C VAL A 26 0.561 6.691 1.736 1.00 0.00 C ATOM 446 O VAL A 26 0.579 6.624 2.949 1.00 0.00 O ATOM 447 CB VAL A 26 2.561 5.397 0.893 1.00 0.00 C ATOM 448 CG1 VAL A 26 3.392 5.213 2.162 1.00 0.00 C ATOM 449 CG2 VAL A 26 1.535 4.264 0.780 1.00 0.00 C ATOM 0 H VAL A 26 2.704 7.905 2.492 1.00 0.00 H new ATOM 0 HA VAL A 26 1.573 7.033 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 26 3.222 5.368 0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.892 4.245 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.138 6.005 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.739 5.258 3.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.052 3.305 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.860 4.298 1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.962 4.382 -0.140 1.00 0.00 H new ATOM 459 N VAL A 27 -0.561 6.716 1.069 1.00 0.00 N ATOM 460 CA VAL A 27 -1.864 6.664 1.782 1.00 0.00 C ATOM 461 C VAL A 27 -2.695 5.503 1.232 1.00 0.00 C ATOM 462 O VAL A 27 -3.230 5.573 0.141 1.00 0.00 O ATOM 463 CB VAL A 27 -2.616 7.978 1.554 1.00 0.00 C ATOM 464 CG1 VAL A 27 -1.941 9.098 2.347 1.00 0.00 C ATOM 465 CG2 VAL A 27 -2.588 8.329 0.067 1.00 0.00 C ATOM 0 H VAL A 27 -0.628 6.771 0.053 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.694 6.519 2.849 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.648 7.865 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.477 10.033 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.955 8.852 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.909 9.209 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.123 9.264 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.555 8.440 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.066 7.533 -0.504 1.00 0.00 H new ATOM 475 N LEU A 28 -2.814 4.435 1.973 1.00 0.00 N ATOM 476 CA LEU A 28 -3.619 3.286 1.475 1.00 0.00 C ATOM 477 C LEU A 28 -5.101 3.583 1.696 1.00 0.00 C ATOM 478 O LEU A 28 -5.533 3.865 2.797 1.00 0.00 O ATOM 479 CB LEU A 28 -3.214 1.999 2.210 1.00 0.00 C ATOM 480 CG LEU A 28 -3.877 1.929 3.590 1.00 0.00 C ATOM 481 CD1 LEU A 28 -5.222 1.203 3.483 1.00 0.00 C ATOM 482 CD2 LEU A 28 -2.968 1.147 4.541 1.00 0.00 C ATOM 0 H LEU A 28 -2.392 4.309 2.893 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.435 3.143 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.503 1.131 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.130 1.963 2.320 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.037 2.940 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.689 1.156 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.874 1.744 2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.061 0.192 3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.432 1.092 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.818 0.139 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.005 1.652 4.621 1.00 0.00 H new ATOM 494 N LEU A 29 -5.882 3.533 0.653 1.00 0.00 N ATOM 495 CA LEU A 29 -7.335 3.823 0.796 1.00 0.00 C ATOM 496 C LEU A 29 -8.139 2.542 0.550 1.00 0.00 C ATOM 497 O LEU A 29 -7.622 1.558 0.059 1.00 0.00 O ATOM 498 CB LEU A 29 -7.739 4.894 -0.218 1.00 0.00 C ATOM 499 CG LEU A 29 -6.757 6.069 -0.139 1.00 0.00 C ATOM 500 CD1 LEU A 29 -5.675 5.902 -1.207 1.00 0.00 C ATOM 501 CD2 LEU A 29 -7.511 7.379 -0.380 1.00 0.00 C ATOM 0 H LEU A 29 -5.576 3.304 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.540 4.185 1.803 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.741 4.475 -1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.753 5.239 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.294 6.090 0.848 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.977 6.737 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.138 4.968 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.138 5.881 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.814 8.215 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.973 7.357 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.284 7.499 0.379 1.00 0.00 H new ATOM 513 N GLU A 30 -9.397 2.545 0.897 1.00 0.00 N ATOM 514 CA GLU A 30 -10.233 1.327 0.696 1.00 0.00 C ATOM 515 C GLU A 30 -10.518 1.131 -0.794 1.00 0.00 C ATOM 516 O GLU A 30 -10.978 0.089 -1.214 1.00 0.00 O ATOM 517 CB GLU A 30 -11.556 1.489 1.449 1.00 0.00 C ATOM 518 CG GLU A 30 -12.116 2.892 1.202 1.00 0.00 C ATOM 519 CD GLU A 30 -13.638 2.818 1.064 1.00 0.00 C ATOM 520 OE1 GLU A 30 -14.246 2.081 1.822 1.00 0.00 O ATOM 521 OE2 GLU A 30 -14.168 3.498 0.202 1.00 0.00 O ATOM 0 H GLU A 30 -9.883 3.340 1.312 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.697 0.457 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.271 0.737 1.116 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.401 1.331 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.847 3.553 2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.679 3.316 0.298 1.00 0.00 H new ATOM 528 N ASP A 31 -10.250 2.123 -1.596 1.00 0.00 N ATOM 529 CA ASP A 31 -10.509 1.984 -3.057 1.00 0.00 C ATOM 530 C ASP A 31 -9.182 1.815 -3.800 1.00 0.00 C ATOM 531 O ASP A 31 -9.150 1.637 -5.001 1.00 0.00 O ATOM 532 CB ASP A 31 -11.226 3.236 -3.568 1.00 0.00 C ATOM 533 CG ASP A 31 -12.693 2.907 -3.849 1.00 0.00 C ATOM 534 OD1 ASP A 31 -12.971 1.767 -4.183 1.00 0.00 O ATOM 535 OD2 ASP A 31 -13.515 3.801 -3.725 1.00 0.00 O ATOM 0 H ASP A 31 -9.864 3.021 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.135 1.109 -3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.157 4.034 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.744 3.599 -4.476 1.00 0.00 H new ATOM 540 N GLY A 32 -8.086 1.871 -3.095 1.00 0.00 N ATOM 541 CA GLY A 32 -6.761 1.714 -3.760 1.00 0.00 C ATOM 542 C GLY A 32 -5.696 2.453 -2.947 1.00 0.00 C ATOM 543 O GLY A 32 -5.982 3.421 -2.270 1.00 0.00 O ATOM 0 H GLY A 32 -8.050 2.019 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.505 0.658 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.801 2.111 -4.774 1.00 0.00 H new ATOM 547 N ILE A 33 -4.472 2.005 -3.004 1.00 0.00 N ATOM 548 CA ILE A 33 -3.396 2.684 -2.229 1.00 0.00 C ATOM 549 C ILE A 33 -2.622 3.636 -3.144 1.00 0.00 C ATOM 550 O ILE A 33 -1.859 3.214 -3.989 1.00 0.00 O ATOM 551 CB ILE A 33 -2.440 1.637 -1.657 1.00 0.00 C ATOM 552 CG1 ILE A 33 -3.212 0.706 -0.719 1.00 0.00 C ATOM 553 CG2 ILE A 33 -1.323 2.333 -0.877 1.00 0.00 C ATOM 554 CD1 ILE A 33 -3.904 -0.383 -1.537 1.00 0.00 C ATOM 0 H ILE A 33 -4.171 1.200 -3.553 1.00 0.00 H new ATOM 0 HA ILE A 33 -3.844 3.252 -1.414 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.005 1.058 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.532 0.256 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.950 1.274 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.643 1.585 -0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.774 2.998 -1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.755 2.912 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.454 -1.046 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.596 0.076 -2.243 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.156 -0.958 -2.084 1.00 0.00 H new ATOM 566 N GLU A 34 -2.801 4.916 -2.970 1.00 0.00 N ATOM 567 CA GLU A 34 -2.065 5.894 -3.821 1.00 0.00 C ATOM 568 C GLU A 34 -0.983 6.554 -2.973 1.00 0.00 C ATOM 569 O GLU A 34 -1.265 7.171 -1.966 1.00 0.00 O ATOM 570 CB GLU A 34 -3.033 6.958 -4.341 1.00 0.00 C ATOM 571 CG GLU A 34 -3.563 7.785 -3.169 1.00 0.00 C ATOM 572 CD GLU A 34 -4.989 8.246 -3.473 1.00 0.00 C ATOM 573 OE1 GLU A 34 -5.205 8.762 -4.558 1.00 0.00 O ATOM 574 OE2 GLU A 34 -5.842 8.075 -2.617 1.00 0.00 O ATOM 0 H GLU A 34 -3.425 5.328 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.614 5.383 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.527 7.606 -5.057 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.861 6.484 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.549 7.191 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.919 8.648 -2.998 1.00 0.00 H new ATOM 581 N PHE A 35 0.255 6.416 -3.354 1.00 0.00 N ATOM 582 CA PHE A 35 1.340 7.025 -2.542 1.00 0.00 C ATOM 583 C PHE A 35 2.148 8.011 -3.385 1.00 0.00 C ATOM 584 O PHE A 35 2.364 7.810 -4.564 1.00 0.00 O ATOM 585 CB PHE A 35 2.255 5.916 -2.018 1.00 0.00 C ATOM 586 CG PHE A 35 2.648 4.998 -3.149 1.00 0.00 C ATOM 587 CD1 PHE A 35 3.516 5.455 -4.149 1.00 0.00 C ATOM 588 CD2 PHE A 35 2.149 3.690 -3.199 1.00 0.00 C ATOM 589 CE1 PHE A 35 3.887 4.605 -5.199 1.00 0.00 C ATOM 590 CE2 PHE A 35 2.520 2.838 -4.249 1.00 0.00 C ATOM 591 CZ PHE A 35 3.388 3.296 -5.248 1.00 0.00 C ATOM 0 H PHE A 35 0.560 5.912 -4.186 1.00 0.00 H new ATOM 0 HA PHE A 35 0.901 7.567 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.146 6.351 -1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.745 5.350 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.900 6.464 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.479 3.338 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.556 4.958 -5.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.137 1.829 -4.287 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.673 2.640 -6.057 1.00 0.00 H new ATOM 601 N TYR A 36 2.599 9.079 -2.781 1.00 0.00 N ATOM 602 CA TYR A 36 3.400 10.086 -3.531 1.00 0.00 C ATOM 603 C TYR A 36 4.768 10.228 -2.860 1.00 0.00 C ATOM 604 O TYR A 36 5.286 9.294 -2.282 1.00 0.00 O ATOM 605 CB TYR A 36 2.690 11.444 -3.506 1.00 0.00 C ATOM 606 CG TYR A 36 1.190 11.257 -3.504 1.00 0.00 C ATOM 607 CD1 TYR A 36 0.606 10.227 -4.252 1.00 0.00 C ATOM 608 CD2 TYR A 36 0.381 12.126 -2.759 1.00 0.00 C ATOM 609 CE1 TYR A 36 -0.785 10.068 -4.259 1.00 0.00 C ATOM 610 CE2 TYR A 36 -1.011 11.964 -2.764 1.00 0.00 C ATOM 611 CZ TYR A 36 -1.594 10.936 -3.515 1.00 0.00 C ATOM 612 OH TYR A 36 -2.964 10.778 -3.521 1.00 0.00 O ATOM 0 H TYR A 36 2.445 9.296 -1.796 1.00 0.00 H new ATOM 0 HA TYR A 36 3.516 9.760 -4.565 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.994 12.004 -2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.988 12.033 -4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.229 9.555 -4.824 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.830 12.920 -2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.235 9.275 -4.839 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.634 12.632 -2.188 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.375 11.462 -2.952 1.00 0.00 H new ATOM 622 N LYS A 37 5.351 11.395 -2.922 1.00 0.00 N ATOM 623 CA LYS A 37 6.678 11.597 -2.274 1.00 0.00 C ATOM 624 C LYS A 37 6.476 12.270 -0.913 1.00 0.00 C ATOM 625 O LYS A 37 6.955 11.801 0.100 1.00 0.00 O ATOM 626 CB LYS A 37 7.555 12.483 -3.162 1.00 0.00 C ATOM 627 CG LYS A 37 8.868 11.760 -3.462 1.00 0.00 C ATOM 628 CD LYS A 37 9.159 11.824 -4.963 1.00 0.00 C ATOM 629 CE LYS A 37 9.848 13.149 -5.294 1.00 0.00 C ATOM 630 NZ LYS A 37 10.420 13.082 -6.668 1.00 0.00 N ATOM 0 H LYS A 37 4.967 12.215 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 37 7.168 10.633 -2.136 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.034 12.715 -4.091 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.755 13.432 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.683 12.219 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.805 10.721 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.794 10.988 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.231 11.733 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.134 13.970 -5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.637 13.352 -4.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.889 13.983 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.114 12.309 -6.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.657 12.908 -7.353 1.00 0.00 H new ATOM 644 N LYS A 38 5.759 13.361 -0.882 1.00 0.00 N ATOM 645 CA LYS A 38 5.514 14.060 0.413 1.00 0.00 C ATOM 646 C LYS A 38 4.075 13.790 0.856 1.00 0.00 C ATOM 647 O LYS A 38 3.349 13.065 0.206 1.00 0.00 O ATOM 648 CB LYS A 38 5.716 15.565 0.229 1.00 0.00 C ATOM 649 CG LYS A 38 6.943 16.015 1.022 1.00 0.00 C ATOM 650 CD LYS A 38 6.541 17.119 2.003 1.00 0.00 C ATOM 651 CE LYS A 38 7.131 16.816 3.382 1.00 0.00 C ATOM 652 NZ LYS A 38 6.224 17.350 4.437 1.00 0.00 N ATOM 0 H LYS A 38 5.332 13.799 -1.698 1.00 0.00 H new ATOM 0 HA LYS A 38 6.210 13.694 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.847 15.799 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.832 16.106 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.369 15.170 1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.714 16.380 0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.899 18.085 1.647 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.455 17.186 2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.259 15.741 3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.119 17.267 3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.624 17.145 5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.124 18.379 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.290 16.900 4.353 1.00 0.00 H new ATOM 666 N LYS A 39 3.649 14.366 1.950 1.00 0.00 N ATOM 667 CA LYS A 39 2.250 14.127 2.402 1.00 0.00 C ATOM 668 C LYS A 39 1.319 14.274 1.198 1.00 0.00 C ATOM 669 O LYS A 39 0.395 13.507 1.016 1.00 0.00 O ATOM 670 CB LYS A 39 1.872 15.131 3.499 1.00 0.00 C ATOM 671 CG LYS A 39 0.344 15.239 3.603 1.00 0.00 C ATOM 672 CD LYS A 39 -0.040 15.744 4.993 1.00 0.00 C ATOM 673 CE LYS A 39 0.651 14.883 6.045 1.00 0.00 C ATOM 674 NZ LYS A 39 -0.317 14.540 7.126 1.00 0.00 N ATOM 0 H LYS A 39 4.203 14.984 2.543 1.00 0.00 H new ATOM 0 HA LYS A 39 2.157 13.123 2.816 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.289 14.813 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.300 16.108 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.035 15.919 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.113 14.267 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.254 16.787 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.121 15.701 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.038 13.973 5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.504 15.417 6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.156 13.953 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.666 15.414 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.118 14.014 6.721 1.00 0.00 H new ATOM 688 N SER A 40 1.571 15.242 0.361 1.00 0.00 N ATOM 689 CA SER A 40 0.718 15.419 -0.843 1.00 0.00 C ATOM 690 C SER A 40 1.517 16.101 -1.944 1.00 0.00 C ATOM 691 O SER A 40 1.274 17.244 -2.279 1.00 0.00 O ATOM 692 CB SER A 40 -0.503 16.280 -0.522 1.00 0.00 C ATOM 693 OG SER A 40 -0.637 16.409 0.887 1.00 0.00 O ATOM 0 H SER A 40 2.330 15.916 0.460 1.00 0.00 H new ATOM 0 HA SER A 40 0.387 14.434 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.397 17.264 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.401 15.828 -0.943 1.00 0.00 H new ATOM 0 HG SER A 40 -1.419 16.963 1.092 1.00 0.00 H new ATOM 699 N ASP A 41 2.444 15.408 -2.545 1.00 0.00 N ATOM 700 CA ASP A 41 3.211 16.033 -3.655 1.00 0.00 C ATOM 701 C ASP A 41 2.210 16.640 -4.632 1.00 0.00 C ATOM 702 O ASP A 41 2.540 17.498 -5.427 1.00 0.00 O ATOM 703 CB ASP A 41 4.056 14.973 -4.366 1.00 0.00 C ATOM 704 CG ASP A 41 4.981 15.652 -5.377 1.00 0.00 C ATOM 705 OD1 ASP A 41 6.014 16.154 -4.963 1.00 0.00 O ATOM 706 OD2 ASP A 41 4.643 15.658 -6.549 1.00 0.00 O ATOM 0 H ASP A 41 2.701 14.447 -2.318 1.00 0.00 H new ATOM 0 HA ASP A 41 3.879 16.803 -3.269 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.644 14.413 -3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.409 14.257 -4.873 1.00 0.00 H new ATOM 711 N ASN A 42 0.988 16.174 -4.570 1.00 0.00 N ATOM 712 CA ASN A 42 -0.087 16.670 -5.467 1.00 0.00 C ATOM 713 C ASN A 42 -0.103 15.793 -6.715 1.00 0.00 C ATOM 714 O ASN A 42 -1.140 15.508 -7.279 1.00 0.00 O ATOM 715 CB ASN A 42 0.158 18.132 -5.855 1.00 0.00 C ATOM 716 CG ASN A 42 -1.180 18.822 -6.124 1.00 0.00 C ATOM 717 OD1 ASN A 42 -1.843 19.266 -5.207 1.00 0.00 O ATOM 718 ND2 ASN A 42 -1.610 18.931 -7.351 1.00 0.00 N ATOM 0 H ASN A 42 0.688 15.451 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.047 16.620 -4.953 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.690 18.647 -5.055 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.790 18.183 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.502 19.389 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.054 18.559 -8.121 1.00 0.00 H new ATOM 725 N SER A 43 1.051 15.359 -7.143 1.00 0.00 N ATOM 726 CA SER A 43 1.130 14.495 -8.342 1.00 0.00 C ATOM 727 C SER A 43 1.569 13.088 -7.922 1.00 0.00 C ATOM 728 O SER A 43 2.736 12.858 -7.671 1.00 0.00 O ATOM 729 CB SER A 43 2.160 15.087 -9.293 1.00 0.00 C ATOM 730 OG SER A 43 3.002 15.979 -8.574 1.00 0.00 O ATOM 0 H SER A 43 1.948 15.571 -6.705 1.00 0.00 H new ATOM 0 HA SER A 43 0.158 14.437 -8.832 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.754 14.293 -9.745 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.661 15.615 -10.106 1.00 0.00 H new ATOM 0 HG SER A 43 3.555 15.471 -7.945 1.00 0.00 H new ATOM 736 N PRO A 44 0.620 12.189 -7.846 1.00 0.00 N ATOM 737 CA PRO A 44 0.892 10.816 -7.449 1.00 0.00 C ATOM 738 C PRO A 44 2.058 10.231 -8.243 1.00 0.00 C ATOM 739 O PRO A 44 2.223 10.488 -9.418 1.00 0.00 O ATOM 740 CB PRO A 44 -0.400 10.066 -7.747 1.00 0.00 C ATOM 741 CG PRO A 44 -1.491 11.180 -7.678 1.00 0.00 C ATOM 742 CD PRO A 44 -0.789 12.483 -8.152 1.00 0.00 C ATOM 0 HA PRO A 44 1.180 10.744 -6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.372 9.592 -8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.584 9.278 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.340 10.937 -8.317 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.876 11.289 -6.664 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.947 12.670 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.150 13.361 -7.616 1.00 0.00 H new ATOM 750 N LYS A 45 2.862 9.440 -7.592 1.00 0.00 N ATOM 751 CA LYS A 45 4.024 8.817 -8.272 1.00 0.00 C ATOM 752 C LYS A 45 3.644 7.387 -8.683 1.00 0.00 C ATOM 753 O LYS A 45 4.192 6.832 -9.615 1.00 0.00 O ATOM 754 CB LYS A 45 5.218 8.824 -7.297 1.00 0.00 C ATOM 755 CG LYS A 45 5.921 7.465 -7.272 1.00 0.00 C ATOM 756 CD LYS A 45 6.584 7.205 -8.626 1.00 0.00 C ATOM 757 CE LYS A 45 8.103 7.166 -8.450 1.00 0.00 C ATOM 758 NZ LYS A 45 8.663 8.528 -8.677 1.00 0.00 N ATOM 0 H LYS A 45 2.760 9.197 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 45 4.303 9.369 -9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.927 9.598 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.871 9.075 -6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.669 7.446 -6.480 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.202 6.676 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.231 6.261 -9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.309 7.987 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.355 6.820 -7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.543 6.458 -9.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.696 8.503 -8.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.433 8.841 -9.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.251 9.192 -7.990 1.00 0.00 H new ATOM 772 N GLY A 46 2.710 6.790 -7.992 1.00 0.00 N ATOM 773 CA GLY A 46 2.297 5.402 -8.340 1.00 0.00 C ATOM 774 C GLY A 46 1.280 4.903 -7.314 1.00 0.00 C ATOM 775 O GLY A 46 1.333 5.251 -6.151 1.00 0.00 O ATOM 0 H GLY A 46 2.216 7.205 -7.202 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.863 5.380 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.167 4.745 -8.356 1.00 0.00 H new ATOM 779 N MET A 47 0.350 4.091 -7.735 1.00 0.00 N ATOM 780 CA MET A 47 -0.669 3.571 -6.783 1.00 0.00 C ATOM 781 C MET A 47 -0.719 2.047 -6.867 1.00 0.00 C ATOM 782 O MET A 47 0.059 1.425 -7.564 1.00 0.00 O ATOM 783 CB MET A 47 -2.044 4.138 -7.142 1.00 0.00 C ATOM 784 CG MET A 47 -1.945 5.656 -7.305 1.00 0.00 C ATOM 785 SD MET A 47 -3.593 6.342 -7.601 1.00 0.00 S ATOM 786 CE MET A 47 -3.257 7.043 -9.234 1.00 0.00 C ATOM 0 H MET A 47 0.252 3.766 -8.697 1.00 0.00 H new ATOM 0 HA MET A 47 -0.400 3.874 -5.771 1.00 0.00 H new ATOM 0 HB2 MET A 47 -2.406 3.686 -8.065 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.765 3.892 -6.363 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.510 6.101 -6.410 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.283 5.901 -8.136 1.00 0.00 H new ATOM 0 HE1 MET A 47 -4.157 7.526 -9.615 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.456 7.778 -9.157 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.956 6.248 -9.916 1.00 0.00 H new ATOM 796 N ILE A 48 -1.635 1.442 -6.167 1.00 0.00 N ATOM 797 CA ILE A 48 -1.754 -0.039 -6.204 1.00 0.00 C ATOM 798 C ILE A 48 -3.241 -0.410 -6.210 1.00 0.00 C ATOM 799 O ILE A 48 -3.988 0.052 -5.371 1.00 0.00 O ATOM 800 CB ILE A 48 -1.084 -0.635 -4.964 1.00 0.00 C ATOM 801 CG1 ILE A 48 0.347 -0.101 -4.852 1.00 0.00 C ATOM 802 CG2 ILE A 48 -1.051 -2.159 -5.083 1.00 0.00 C ATOM 803 CD1 ILE A 48 1.025 -0.715 -3.626 1.00 0.00 C ATOM 0 H ILE A 48 -2.311 1.914 -5.567 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.268 -0.431 -7.097 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.649 -0.353 -4.075 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.910 -0.346 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.336 0.986 -4.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.574 -2.583 -4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.069 -2.540 -5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.487 -2.442 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.044 -0.336 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.466 -0.448 -2.729 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.049 -1.800 -3.729 1.00 0.00 H new ATOM 815 N PRO A 49 -3.636 -1.225 -7.155 1.00 0.00 N ATOM 816 CA PRO A 49 -5.024 -1.642 -7.267 1.00 0.00 C ATOM 817 C PRO A 49 -5.391 -2.565 -6.102 1.00 0.00 C ATOM 818 O PRO A 49 -5.336 -3.774 -6.213 1.00 0.00 O ATOM 819 CB PRO A 49 -5.097 -2.384 -8.597 1.00 0.00 C ATOM 820 CG PRO A 49 -3.631 -2.868 -8.825 1.00 0.00 C ATOM 821 CD PRO A 49 -2.728 -1.787 -8.166 1.00 0.00 C ATOM 0 HA PRO A 49 -5.720 -0.804 -7.231 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.794 -3.221 -8.552 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -5.434 -1.732 -9.403 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.466 -3.846 -8.373 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.412 -2.967 -9.888 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.832 -2.218 -7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.397 -1.036 -8.883 1.00 0.00 H new ATOM 829 N LEU A 50 -5.762 -2.001 -4.986 1.00 0.00 N ATOM 830 CA LEU A 50 -6.130 -2.838 -3.812 1.00 0.00 C ATOM 831 C LEU A 50 -7.330 -3.723 -4.179 1.00 0.00 C ATOM 832 O LEU A 50 -7.657 -4.663 -3.483 1.00 0.00 O ATOM 833 CB LEU A 50 -6.454 -1.910 -2.619 1.00 0.00 C ATOM 834 CG LEU A 50 -7.952 -1.918 -2.284 1.00 0.00 C ATOM 835 CD1 LEU A 50 -8.180 -1.209 -0.949 1.00 0.00 C ATOM 836 CD2 LEU A 50 -8.726 -1.189 -3.385 1.00 0.00 C ATOM 0 H LEU A 50 -5.826 -0.994 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.304 -3.490 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.884 -2.227 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.139 -0.893 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.302 -2.948 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.244 -1.215 -0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.630 -1.727 -0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.829 -0.179 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.790 -1.195 -3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.376 -0.159 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.565 -1.693 -4.338 1.00 0.00 H new ATOM 848 N LYS A 51 -7.987 -3.422 -5.264 1.00 0.00 N ATOM 849 CA LYS A 51 -9.165 -4.236 -5.675 1.00 0.00 C ATOM 850 C LYS A 51 -8.749 -5.697 -5.862 1.00 0.00 C ATOM 851 O LYS A 51 -9.578 -6.583 -5.925 1.00 0.00 O ATOM 852 CB LYS A 51 -9.722 -3.694 -6.994 1.00 0.00 C ATOM 853 CG LYS A 51 -8.767 -4.050 -8.135 1.00 0.00 C ATOM 854 CD LYS A 51 -8.530 -2.817 -9.008 1.00 0.00 C ATOM 855 CE LYS A 51 -8.310 -3.253 -10.458 1.00 0.00 C ATOM 856 NZ LYS A 51 -7.432 -2.266 -11.147 1.00 0.00 N ATOM 0 H LYS A 51 -7.759 -2.646 -5.885 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.930 -4.177 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.708 -4.117 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.845 -2.613 -6.932 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.821 -4.410 -7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.186 -4.858 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.385 -2.144 -8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.662 -2.264 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.854 -4.243 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.266 -3.328 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.737 -2.161 -12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.498 -1.347 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.447 -2.600 -11.122 1.00 0.00 H new ATOM 870 N GLY A 52 -7.472 -5.961 -5.954 1.00 0.00 N ATOM 871 CA GLY A 52 -7.023 -7.370 -6.141 1.00 0.00 C ATOM 872 C GLY A 52 -5.522 -7.485 -5.868 1.00 0.00 C ATOM 873 O GLY A 52 -4.851 -8.343 -6.405 1.00 0.00 O ATOM 0 H GLY A 52 -6.726 -5.267 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.574 -8.028 -5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.242 -7.698 -7.157 1.00 0.00 H new ATOM 877 N SER A 53 -4.987 -6.633 -5.035 1.00 0.00 N ATOM 878 CA SER A 53 -3.529 -6.712 -4.737 1.00 0.00 C ATOM 879 C SER A 53 -3.274 -7.856 -3.763 1.00 0.00 C ATOM 880 O SER A 53 -4.190 -8.421 -3.198 1.00 0.00 O ATOM 881 CB SER A 53 -3.048 -5.399 -4.117 1.00 0.00 C ATOM 882 OG SER A 53 -2.010 -5.672 -3.186 1.00 0.00 O ATOM 0 H SER A 53 -5.493 -5.891 -4.551 1.00 0.00 H new ATOM 0 HA SER A 53 -2.984 -6.888 -5.664 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.687 -4.727 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.876 -4.894 -3.619 1.00 0.00 H new ATOM 0 HG SER A 53 -1.808 -4.861 -2.674 1.00 0.00 H new ATOM 888 N THR A 54 -2.037 -8.210 -3.570 1.00 0.00 N ATOM 889 CA THR A 54 -1.728 -9.320 -2.645 1.00 0.00 C ATOM 890 C THR A 54 -0.704 -8.845 -1.616 1.00 0.00 C ATOM 891 O THR A 54 -0.027 -7.859 -1.816 1.00 0.00 O ATOM 892 CB THR A 54 -1.174 -10.486 -3.464 1.00 0.00 C ATOM 893 OG1 THR A 54 -1.132 -10.112 -4.832 1.00 0.00 O ATOM 894 CG2 THR A 54 -2.094 -11.691 -3.304 1.00 0.00 C ATOM 0 H THR A 54 -1.229 -7.775 -4.015 1.00 0.00 H new ATOM 0 HA THR A 54 -2.623 -9.645 -2.115 1.00 0.00 H new ATOM 0 HB THR A 54 -0.172 -10.738 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.743 -9.216 -4.914 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.704 -12.526 -3.886 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.144 -11.973 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.093 -11.436 -3.659 1.00 0.00 H new ATOM 902 N LEU A 55 -0.597 -9.519 -0.508 1.00 0.00 N ATOM 903 CA LEU A 55 0.373 -9.084 0.535 1.00 0.00 C ATOM 904 C LEU A 55 1.362 -10.218 0.808 1.00 0.00 C ATOM 905 O LEU A 55 1.031 -11.381 0.683 1.00 0.00 O ATOM 906 CB LEU A 55 -0.400 -8.748 1.817 1.00 0.00 C ATOM 907 CG LEU A 55 0.479 -7.950 2.786 1.00 0.00 C ATOM 908 CD1 LEU A 55 1.480 -8.882 3.465 1.00 0.00 C ATOM 909 CD2 LEU A 55 1.234 -6.861 2.026 1.00 0.00 C ATOM 0 H LEU A 55 -1.138 -10.352 -0.278 1.00 0.00 H new ATOM 0 HA LEU A 55 0.922 -8.205 0.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.292 -8.173 1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.736 -9.667 2.296 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.157 -7.489 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.102 -8.309 4.153 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.943 -9.652 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.111 -9.351 2.710 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.857 -6.298 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.864 -7.319 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.521 -6.188 1.550 1.00 0.00 H new ATOM 921 N THR A 56 2.572 -9.896 1.175 1.00 0.00 N ATOM 922 CA THR A 56 3.567 -10.971 1.446 1.00 0.00 C ATOM 923 C THR A 56 4.351 -10.651 2.720 1.00 0.00 C ATOM 924 O THR A 56 4.798 -9.540 2.925 1.00 0.00 O ATOM 925 CB THR A 56 4.537 -11.081 0.268 1.00 0.00 C ATOM 926 OG1 THR A 56 3.814 -11.421 -0.907 1.00 0.00 O ATOM 927 CG2 THR A 56 5.578 -12.161 0.559 1.00 0.00 C ATOM 0 H THR A 56 2.913 -8.943 1.298 1.00 0.00 H new ATOM 0 HA THR A 56 3.040 -11.916 1.577 1.00 0.00 H new ATOM 0 HB THR A 56 5.041 -10.126 0.122 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.531 -10.602 -1.365 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.268 -12.237 -0.282 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.132 -11.899 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.078 -13.118 0.706 1.00 0.00 H new ATOM 935 N SER A 57 4.525 -11.623 3.574 1.00 0.00 N ATOM 936 CA SER A 57 5.284 -11.388 4.835 1.00 0.00 C ATOM 937 C SER A 57 5.970 -12.691 5.265 1.00 0.00 C ATOM 938 O SER A 57 5.311 -13.680 5.522 1.00 0.00 O ATOM 939 CB SER A 57 4.320 -10.935 5.931 1.00 0.00 C ATOM 940 OG SER A 57 4.926 -11.136 7.201 1.00 0.00 O ATOM 0 H SER A 57 4.173 -12.573 3.452 1.00 0.00 H new ATOM 0 HA SER A 57 6.036 -10.616 4.671 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.068 -9.883 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.388 -11.497 5.867 1.00 0.00 H new ATOM 0 HG SER A 57 4.311 -10.845 7.907 1.00 0.00 H new ATOM 946 N PRO A 58 7.278 -12.653 5.329 1.00 0.00 N ATOM 947 CA PRO A 58 8.045 -11.456 5.016 1.00 0.00 C ATOM 948 C PRO A 58 8.035 -11.196 3.507 1.00 0.00 C ATOM 949 O PRO A 58 7.205 -11.711 2.783 1.00 0.00 O ATOM 950 CB PRO A 58 9.446 -11.761 5.494 1.00 0.00 C ATOM 951 CG PRO A 58 9.521 -13.320 5.446 1.00 0.00 C ATOM 952 CD PRO A 58 8.076 -13.821 5.729 1.00 0.00 C ATOM 0 HA PRO A 58 7.634 -10.564 5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.197 -11.304 4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 58 9.617 -11.383 6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.871 -13.665 4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 58 10.220 -13.701 6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.827 -14.707 5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 58 7.929 -14.079 6.778 1.00 0.00 H new ATOM 960 N CYS A 59 8.950 -10.398 3.027 1.00 0.00 N ATOM 961 CA CYS A 59 8.993 -10.103 1.566 1.00 0.00 C ATOM 962 C CYS A 59 10.005 -11.026 0.883 1.00 0.00 C ATOM 963 O CYS A 59 10.383 -12.051 1.415 1.00 0.00 O ATOM 964 CB CYS A 59 9.409 -8.646 1.354 1.00 0.00 C ATOM 965 SG CYS A 59 11.161 -8.453 1.766 1.00 0.00 S ATOM 0 H CYS A 59 9.670 -9.937 3.584 1.00 0.00 H new ATOM 0 HA CYS A 59 8.006 -10.268 1.135 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.233 -8.353 0.319 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.803 -7.989 1.978 1.00 0.00 H new ATOM 0 HG CYS A 59 11.827 -9.476 1.320 1.00 0.00 H new ATOM 971 N GLN A 60 10.445 -10.670 -0.293 1.00 0.00 N ATOM 972 CA GLN A 60 11.430 -11.524 -1.013 1.00 0.00 C ATOM 973 C GLN A 60 12.766 -11.505 -0.275 1.00 0.00 C ATOM 974 O GLN A 60 12.843 -11.148 0.884 1.00 0.00 O ATOM 975 CB GLN A 60 11.627 -10.989 -2.434 1.00 0.00 C ATOM 976 CG GLN A 60 11.550 -12.148 -3.431 1.00 0.00 C ATOM 977 CD GLN A 60 12.325 -11.782 -4.699 1.00 0.00 C ATOM 978 OE1 GLN A 60 12.384 -10.629 -5.078 1.00 0.00 O ATOM 979 NE2 GLN A 60 12.927 -12.722 -5.375 1.00 0.00 N ATOM 0 H GLN A 60 10.164 -9.823 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 60 11.055 -12.547 -1.055 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.863 -10.246 -2.664 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.592 -10.489 -2.515 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.965 -13.052 -2.986 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.510 -12.362 -3.677 1.00 0.00 H new ATOM 0 HE21 GLN A 60 12.878 -13.690 -5.057 1.00 0.00 H new ATOM 0 HE22 GLN A 60 13.447 -12.489 -6.221 1.00 0.00 H new ATOM 988 N ASP A 61 13.824 -11.883 -0.939 1.00 0.00 N ATOM 989 CA ASP A 61 15.159 -11.881 -0.280 1.00 0.00 C ATOM 990 C ASP A 61 15.767 -10.482 -0.383 1.00 0.00 C ATOM 991 O ASP A 61 16.946 -10.288 -0.166 1.00 0.00 O ATOM 992 CB ASP A 61 16.076 -12.889 -0.976 1.00 0.00 C ATOM 993 CG ASP A 61 16.443 -12.371 -2.367 1.00 0.00 C ATOM 994 OD1 ASP A 61 15.768 -11.470 -2.839 1.00 0.00 O ATOM 995 OD2 ASP A 61 17.392 -12.883 -2.937 1.00 0.00 O ATOM 0 H ASP A 61 13.821 -12.193 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 61 15.050 -12.158 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.978 -13.044 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.577 -13.855 -1.056 1.00 0.00 H new ATOM 1000 N PHE A 62 14.967 -9.501 -0.707 1.00 0.00 N ATOM 1001 CA PHE A 62 15.500 -8.114 -0.818 1.00 0.00 C ATOM 1002 C PHE A 62 15.405 -7.436 0.548 1.00 0.00 C ATOM 1003 O PHE A 62 16.170 -6.547 0.866 1.00 0.00 O ATOM 1004 CB PHE A 62 14.671 -7.327 -1.836 1.00 0.00 C ATOM 1005 CG PHE A 62 15.267 -5.950 -2.016 1.00 0.00 C ATOM 1006 CD1 PHE A 62 15.212 -5.018 -0.971 1.00 0.00 C ATOM 1007 CD2 PHE A 62 15.878 -5.606 -3.230 1.00 0.00 C ATOM 1008 CE1 PHE A 62 15.767 -3.743 -1.139 1.00 0.00 C ATOM 1009 CE2 PHE A 62 16.432 -4.330 -3.398 1.00 0.00 C ATOM 1010 CZ PHE A 62 16.377 -3.399 -2.352 1.00 0.00 C ATOM 0 H PHE A 62 13.970 -9.601 -0.899 1.00 0.00 H new ATOM 0 HA PHE A 62 16.539 -8.143 -1.146 1.00 0.00 H new ATOM 0 HB2 PHE A 62 14.652 -7.854 -2.790 1.00 0.00 H new ATOM 0 HB3 PHE A 62 13.639 -7.246 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.741 -5.283 -0.036 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.922 -6.324 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 62 15.725 -3.025 -0.333 1.00 0.00 H new ATOM 0 HE2 PHE A 62 16.901 -4.064 -4.334 1.00 0.00 H new ATOM 0 HZ PHE A 62 16.805 -2.416 -2.481 1.00 0.00 H new ATOM 1020 N GLY A 63 14.473 -7.852 1.359 1.00 0.00 N ATOM 1021 CA GLY A 63 14.329 -7.236 2.707 1.00 0.00 C ATOM 1022 C GLY A 63 14.896 -8.189 3.761 1.00 0.00 C ATOM 1023 O GLY A 63 16.071 -8.159 4.068 1.00 0.00 O ATOM 0 H GLY A 63 13.804 -8.592 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.855 -6.282 2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.279 -7.029 2.915 1.00 0.00 H new ATOM 1027 N LYS A 64 14.071 -9.035 4.315 1.00 0.00 N ATOM 1028 CA LYS A 64 14.564 -9.989 5.348 1.00 0.00 C ATOM 1029 C LYS A 64 15.489 -9.250 6.317 1.00 0.00 C ATOM 1030 O LYS A 64 16.372 -9.832 6.915 1.00 0.00 O ATOM 1031 CB LYS A 64 15.334 -11.123 4.668 1.00 0.00 C ATOM 1032 CG LYS A 64 15.517 -12.279 5.653 1.00 0.00 C ATOM 1033 CD LYS A 64 16.861 -12.963 5.393 1.00 0.00 C ATOM 1034 CE LYS A 64 16.673 -14.480 5.403 1.00 0.00 C ATOM 1035 NZ LYS A 64 17.834 -15.120 6.084 1.00 0.00 N ATOM 0 H LYS A 64 13.077 -9.107 4.097 1.00 0.00 H new ATOM 0 HA LYS A 64 13.719 -10.405 5.897 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.794 -11.465 3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 64 16.305 -10.764 4.328 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.478 -11.908 6.677 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.704 -12.997 5.543 1.00 0.00 H new ATOM 0 HD2 LYS A 64 17.264 -12.642 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 64 17.583 -12.671 6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.748 -14.739 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 64 16.585 -14.853 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.707 -16.152 6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.709 -14.883 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 17.898 -14.772 7.062 1.00 0.00 H new ATOM 1049 N ARG A 65 15.290 -7.971 6.474 1.00 0.00 N ATOM 1050 CA ARG A 65 16.154 -7.187 7.399 1.00 0.00 C ATOM 1051 C ARG A 65 15.280 -6.467 8.422 1.00 0.00 C ATOM 1052 O ARG A 65 14.979 -6.986 9.479 1.00 0.00 O ATOM 1053 CB ARG A 65 16.960 -6.163 6.598 1.00 0.00 C ATOM 1054 CG ARG A 65 18.405 -6.645 6.458 1.00 0.00 C ATOM 1055 CD ARG A 65 19.242 -5.562 5.774 1.00 0.00 C ATOM 1056 NE ARG A 65 19.688 -4.564 6.785 1.00 0.00 N ATOM 1057 CZ ARG A 65 19.958 -3.339 6.421 1.00 0.00 C ATOM 1058 NH1 ARG A 65 21.140 -3.044 5.953 1.00 0.00 N ATOM 1059 NH2 ARG A 65 19.046 -2.412 6.523 1.00 0.00 N ATOM 0 H ARG A 65 14.564 -7.434 6.000 1.00 0.00 H new ATOM 0 HA ARG A 65 16.838 -7.859 7.918 1.00 0.00 H new ATOM 0 HB2 ARG A 65 16.515 -6.025 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 65 16.936 -5.194 7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 65 18.820 -6.874 7.440 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.437 -7.566 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.107 -6.011 5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 65 18.656 -5.071 4.997 1.00 0.00 H new ATOM 0 HE ARG A 65 19.783 -4.837 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.852 -3.770 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.352 -2.088 5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.122 -2.644 6.887 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.257 -1.455 6.239 1.00 0.00 H new ATOM 1073 N MET A 66 14.872 -5.275 8.112 1.00 0.00 N ATOM 1074 CA MET A 66 14.014 -4.506 9.055 1.00 0.00 C ATOM 1075 C MET A 66 12.557 -4.958 8.899 1.00 0.00 C ATOM 1076 O MET A 66 12.219 -6.087 9.197 1.00 0.00 O ATOM 1077 CB MET A 66 14.149 -3.012 8.753 1.00 0.00 C ATOM 1078 CG MET A 66 15.623 -2.608 8.823 1.00 0.00 C ATOM 1079 SD MET A 66 16.075 -2.270 10.543 1.00 0.00 S ATOM 1080 CE MET A 66 16.318 -0.486 10.368 1.00 0.00 C ATOM 0 H MET A 66 15.095 -4.794 7.241 1.00 0.00 H new ATOM 0 HA MET A 66 14.329 -4.688 10.083 1.00 0.00 H new ATOM 0 HB2 MET A 66 13.747 -2.792 7.764 1.00 0.00 H new ATOM 0 HB3 MET A 66 13.567 -2.431 9.469 1.00 0.00 H new ATOM 0 HG2 MET A 66 16.249 -3.405 8.421 1.00 0.00 H new ATOM 0 HG3 MET A 66 15.799 -1.724 8.209 1.00 0.00 H new ATOM 0 HE1 MET A 66 16.608 -0.062 11.329 1.00 0.00 H new ATOM 0 HE2 MET A 66 17.103 -0.296 9.636 1.00 0.00 H new ATOM 0 HE3 MET A 66 15.390 -0.023 10.033 1.00 0.00 H new ATOM 1090 N PHE A 67 11.688 -4.099 8.438 1.00 0.00 N ATOM 1091 CA PHE A 67 10.264 -4.502 8.273 1.00 0.00 C ATOM 1092 C PHE A 67 9.782 -4.108 6.878 1.00 0.00 C ATOM 1093 O PHE A 67 9.285 -3.020 6.665 1.00 0.00 O ATOM 1094 CB PHE A 67 9.414 -3.799 9.332 1.00 0.00 C ATOM 1095 CG PHE A 67 9.819 -4.294 10.700 1.00 0.00 C ATOM 1096 CD1 PHE A 67 9.435 -5.574 11.122 1.00 0.00 C ATOM 1097 CD2 PHE A 67 10.582 -3.478 11.544 1.00 0.00 C ATOM 1098 CE1 PHE A 67 9.815 -6.037 12.389 1.00 0.00 C ATOM 1099 CE2 PHE A 67 10.962 -3.941 12.810 1.00 0.00 C ATOM 1100 CZ PHE A 67 10.579 -5.220 13.233 1.00 0.00 C ATOM 0 H PHE A 67 11.903 -3.139 8.170 1.00 0.00 H new ATOM 0 HA PHE A 67 10.171 -5.581 8.393 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.550 -2.719 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.357 -3.998 9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 67 8.846 -6.203 10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 67 10.878 -2.491 11.219 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.519 -7.023 12.715 1.00 0.00 H new ATOM 0 HE2 PHE A 67 11.551 -3.311 13.461 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.872 -5.576 14.209 1.00 0.00 H new ATOM 1110 N VAL A 68 9.932 -4.984 5.922 1.00 0.00 N ATOM 1111 CA VAL A 68 9.492 -4.660 4.538 1.00 0.00 C ATOM 1112 C VAL A 68 8.612 -5.791 3.994 1.00 0.00 C ATOM 1113 O VAL A 68 9.043 -6.921 3.877 1.00 0.00 O ATOM 1114 CB VAL A 68 10.728 -4.493 3.649 1.00 0.00 C ATOM 1115 CG1 VAL A 68 11.728 -5.615 3.945 1.00 0.00 C ATOM 1116 CG2 VAL A 68 10.321 -4.552 2.173 1.00 0.00 C ATOM 0 H VAL A 68 10.341 -5.911 6.041 1.00 0.00 H new ATOM 0 HA VAL A 68 8.915 -3.735 4.544 1.00 0.00 H new ATOM 0 HB VAL A 68 11.189 -3.527 3.857 1.00 0.00 H new ATOM 0 HG11 VAL A 68 12.607 -5.495 3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 68 12.026 -5.570 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 68 11.263 -6.580 3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 68 11.205 -4.432 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.854 -5.514 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.613 -3.751 1.958 1.00 0.00 H new ATOM 1126 N PHE A 69 7.385 -5.496 3.651 1.00 0.00 N ATOM 1127 CA PHE A 69 6.491 -6.557 3.105 1.00 0.00 C ATOM 1128 C PHE A 69 6.491 -6.474 1.577 1.00 0.00 C ATOM 1129 O PHE A 69 6.985 -5.526 1.000 1.00 0.00 O ATOM 1130 CB PHE A 69 5.064 -6.369 3.643 1.00 0.00 C ATOM 1131 CG PHE A 69 4.388 -5.200 2.957 1.00 0.00 C ATOM 1132 CD1 PHE A 69 3.972 -5.306 1.620 1.00 0.00 C ATOM 1133 CD2 PHE A 69 4.165 -4.010 3.662 1.00 0.00 C ATOM 1134 CE1 PHE A 69 3.341 -4.225 0.993 1.00 0.00 C ATOM 1135 CE2 PHE A 69 3.534 -2.929 3.034 1.00 0.00 C ATOM 1136 CZ PHE A 69 3.121 -3.037 1.700 1.00 0.00 C ATOM 0 H PHE A 69 6.966 -4.569 3.725 1.00 0.00 H new ATOM 0 HA PHE A 69 6.854 -7.537 3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.485 -7.278 3.480 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.094 -6.199 4.719 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.139 -6.223 1.074 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.480 -3.926 4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.024 -4.308 -0.036 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.366 -2.012 3.579 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.633 -2.204 1.217 1.00 0.00 H new ATOM 1146 N LYS A 70 5.946 -7.458 0.916 1.00 0.00 N ATOM 1147 CA LYS A 70 5.925 -7.426 -0.574 1.00 0.00 C ATOM 1148 C LYS A 70 4.494 -7.639 -1.079 1.00 0.00 C ATOM 1149 O LYS A 70 3.896 -8.674 -0.864 1.00 0.00 O ATOM 1150 CB LYS A 70 6.830 -8.532 -1.120 1.00 0.00 C ATOM 1151 CG LYS A 70 6.597 -8.689 -2.624 1.00 0.00 C ATOM 1152 CD LYS A 70 7.464 -9.831 -3.157 1.00 0.00 C ATOM 1153 CE LYS A 70 6.915 -11.167 -2.654 1.00 0.00 C ATOM 1154 NZ LYS A 70 6.570 -12.032 -3.817 1.00 0.00 N ATOM 0 H LYS A 70 5.516 -8.280 1.341 1.00 0.00 H new ATOM 0 HA LYS A 70 6.285 -6.456 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.875 -8.289 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.621 -9.472 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.545 -8.895 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.842 -7.761 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.473 -9.817 -4.247 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.495 -9.703 -2.828 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.655 -11.663 -2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.032 -11.000 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.197 -12.941 -3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.850 -11.559 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.422 -12.201 -4.389 1.00 0.00 H new ATOM 1168 N ILE A 71 3.947 -6.666 -1.756 1.00 0.00 N ATOM 1169 CA ILE A 71 2.560 -6.809 -2.284 1.00 0.00 C ATOM 1170 C ILE A 71 2.630 -7.286 -3.737 1.00 0.00 C ATOM 1171 O ILE A 71 3.673 -7.280 -4.357 1.00 0.00 O ATOM 1172 CB ILE A 71 1.845 -5.447 -2.193 1.00 0.00 C ATOM 1173 CG1 ILE A 71 1.099 -5.357 -0.860 1.00 0.00 C ATOM 1174 CG2 ILE A 71 0.843 -5.271 -3.345 1.00 0.00 C ATOM 1175 CD1 ILE A 71 0.647 -3.916 -0.621 1.00 0.00 C ATOM 0 H ILE A 71 4.401 -5.777 -1.966 1.00 0.00 H new ATOM 0 HA ILE A 71 2.001 -7.539 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 71 2.594 -4.659 -2.262 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.236 -6.023 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.746 -5.685 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.353 -4.301 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.370 -5.325 -4.297 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.094 -6.062 -3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.116 -3.854 0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.518 -3.261 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.016 -3.604 -1.428 1.00 0.00 H new ATOM 1187 N THR A 72 1.519 -7.696 -4.277 1.00 0.00 N ATOM 1188 CA THR A 72 1.497 -8.174 -5.683 1.00 0.00 C ATOM 1189 C THR A 72 0.205 -7.676 -6.335 1.00 0.00 C ATOM 1190 O THR A 72 -0.827 -8.307 -6.252 1.00 0.00 O ATOM 1191 CB THR A 72 1.546 -9.705 -5.690 1.00 0.00 C ATOM 1192 OG1 THR A 72 2.887 -10.132 -5.490 1.00 0.00 O ATOM 1193 CG2 THR A 72 1.037 -10.244 -7.027 1.00 0.00 C ATOM 0 H THR A 72 0.618 -7.720 -3.800 1.00 0.00 H new ATOM 0 HA THR A 72 2.355 -7.795 -6.238 1.00 0.00 H new ATOM 0 HB THR A 72 0.911 -10.085 -4.890 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.434 -9.370 -5.208 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.077 -11.333 -7.019 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.008 -9.920 -7.182 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.663 -9.864 -7.835 1.00 0.00 H new ATOM 1201 N THR A 73 0.254 -6.536 -6.965 1.00 0.00 N ATOM 1202 CA THR A 73 -0.978 -5.984 -7.604 1.00 0.00 C ATOM 1203 C THR A 73 -1.730 -7.106 -8.325 1.00 0.00 C ATOM 1204 O THR A 73 -1.143 -8.077 -8.755 1.00 0.00 O ATOM 1205 CB THR A 73 -0.610 -4.885 -8.608 1.00 0.00 C ATOM 1206 OG1 THR A 73 -0.325 -5.473 -9.869 1.00 0.00 O ATOM 1207 CG2 THR A 73 0.611 -4.105 -8.116 1.00 0.00 C ATOM 0 H THR A 73 1.091 -5.962 -7.066 1.00 0.00 H new ATOM 0 HA THR A 73 -1.615 -5.556 -6.830 1.00 0.00 H new ATOM 0 HB THR A 73 -1.450 -4.197 -8.706 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.248 -4.770 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.862 -3.328 -8.838 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.386 -3.647 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.456 -4.784 -8.006 1.00 0.00 H new ATOM 1215 N THR A 74 -3.026 -6.980 -8.449 1.00 0.00 N ATOM 1216 CA THR A 74 -3.832 -8.034 -9.130 1.00 0.00 C ATOM 1217 C THR A 74 -3.230 -8.338 -10.502 1.00 0.00 C ATOM 1218 O THR A 74 -3.614 -7.766 -11.502 1.00 0.00 O ATOM 1219 CB THR A 74 -5.273 -7.549 -9.302 1.00 0.00 C ATOM 1220 OG1 THR A 74 -5.946 -8.392 -10.226 1.00 0.00 O ATOM 1221 CG2 THR A 74 -5.275 -6.111 -9.824 1.00 0.00 C ATOM 0 H THR A 74 -3.564 -6.185 -8.104 1.00 0.00 H new ATOM 0 HA THR A 74 -3.824 -8.939 -8.523 1.00 0.00 H new ATOM 0 HB THR A 74 -5.784 -7.581 -8.340 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.870 -8.084 -10.337 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.303 -5.769 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 74 -4.759 -5.465 -9.113 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.764 -6.072 -10.786 1.00 0.00 H new ATOM 1229 N LYS A 75 -2.292 -9.241 -10.543 1.00 0.00 N ATOM 1230 CA LYS A 75 -1.639 -9.615 -11.832 1.00 0.00 C ATOM 1231 C LYS A 75 -0.280 -10.249 -11.528 1.00 0.00 C ATOM 1232 O LYS A 75 -0.091 -11.440 -11.675 1.00 0.00 O ATOM 1233 CB LYS A 75 -1.438 -8.367 -12.703 1.00 0.00 C ATOM 1234 CG LYS A 75 -0.437 -8.672 -13.821 1.00 0.00 C ATOM 1235 CD LYS A 75 -1.033 -8.259 -15.169 1.00 0.00 C ATOM 1236 CE LYS A 75 -1.230 -9.500 -16.043 1.00 0.00 C ATOM 1237 NZ LYS A 75 -2.540 -9.409 -16.745 1.00 0.00 N ATOM 0 H LYS A 75 -1.944 -9.744 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.271 -10.321 -12.370 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.390 -8.053 -13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.075 -7.540 -12.092 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.496 -8.136 -13.644 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.197 -9.735 -13.828 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.987 -7.753 -15.017 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.372 -7.551 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.421 -9.579 -16.769 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.196 -10.400 -15.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.675 -10.252 -17.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.306 -9.353 -16.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.555 -8.558 -17.343 1.00 0.00 H new ATOM 1251 N GLN A 76 0.664 -9.458 -11.096 1.00 0.00 N ATOM 1252 CA GLN A 76 2.011 -10.008 -10.774 1.00 0.00 C ATOM 1253 C GLN A 76 3.018 -8.860 -10.668 1.00 0.00 C ATOM 1254 O GLN A 76 4.162 -8.989 -11.056 1.00 0.00 O ATOM 1255 CB GLN A 76 2.452 -10.967 -11.880 1.00 0.00 C ATOM 1256 CG GLN A 76 2.625 -12.373 -11.302 1.00 0.00 C ATOM 1257 CD GLN A 76 4.021 -12.894 -11.646 1.00 0.00 C ATOM 1258 OE1 GLN A 76 4.729 -13.387 -10.791 1.00 0.00 O ATOM 1259 NE2 GLN A 76 4.452 -12.803 -12.875 1.00 0.00 N ATOM 0 H GLN A 76 0.560 -8.454 -10.952 1.00 0.00 H new ATOM 0 HA GLN A 76 1.965 -10.544 -9.826 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.712 -10.980 -12.680 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.389 -10.625 -12.319 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.488 -12.353 -10.221 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.865 -13.041 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.859 -12.389 -13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.382 -13.146 -13.116 1.00 0.00 H new ATOM 1268 N GLN A 77 2.604 -7.739 -10.144 1.00 0.00 N ATOM 1269 CA GLN A 77 3.540 -6.588 -10.013 1.00 0.00 C ATOM 1270 C GLN A 77 4.039 -6.511 -8.570 1.00 0.00 C ATOM 1271 O GLN A 77 3.567 -5.717 -7.781 1.00 0.00 O ATOM 1272 CB GLN A 77 2.813 -5.292 -10.374 1.00 0.00 C ATOM 1273 CG GLN A 77 3.440 -4.688 -11.632 1.00 0.00 C ATOM 1274 CD GLN A 77 2.721 -3.385 -11.986 1.00 0.00 C ATOM 1275 OE1 GLN A 77 2.399 -3.147 -13.133 1.00 0.00 O ATOM 1276 NE2 GLN A 77 2.455 -2.524 -11.042 1.00 0.00 N ATOM 0 H GLN A 77 1.658 -7.571 -9.801 1.00 0.00 H new ATOM 0 HA GLN A 77 4.386 -6.724 -10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.755 -5.491 -10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.877 -4.584 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.500 -4.497 -11.467 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.368 -5.392 -12.461 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.725 -2.723 -10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.977 -1.652 -11.267 1.00 0.00 H new ATOM 1285 N ASP A 78 4.987 -7.336 -8.217 1.00 0.00 N ATOM 1286 CA ASP A 78 5.510 -7.314 -6.823 1.00 0.00 C ATOM 1287 C ASP A 78 6.001 -5.908 -6.479 1.00 0.00 C ATOM 1288 O ASP A 78 6.544 -5.206 -7.310 1.00 0.00 O ATOM 1289 CB ASP A 78 6.668 -8.306 -6.696 1.00 0.00 C ATOM 1290 CG ASP A 78 7.643 -8.108 -7.857 1.00 0.00 C ATOM 1291 OD1 ASP A 78 8.542 -7.296 -7.718 1.00 0.00 O ATOM 1292 OD2 ASP A 78 7.476 -8.775 -8.866 1.00 0.00 O ATOM 0 H ASP A 78 5.421 -8.023 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 78 4.713 -7.595 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.183 -8.160 -5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.287 -9.327 -6.698 1.00 0.00 H new ATOM 1297 N HIS A 79 5.814 -5.493 -5.257 1.00 0.00 N ATOM 1298 CA HIS A 79 6.267 -4.134 -4.850 1.00 0.00 C ATOM 1299 C HIS A 79 6.922 -4.217 -3.470 1.00 0.00 C ATOM 1300 O HIS A 79 6.519 -4.993 -2.627 1.00 0.00 O ATOM 1301 CB HIS A 79 5.063 -3.193 -4.791 1.00 0.00 C ATOM 1302 CG HIS A 79 4.785 -2.652 -6.166 1.00 0.00 C ATOM 1303 ND1 HIS A 79 5.509 -1.600 -6.707 1.00 0.00 N ATOM 1304 CD2 HIS A 79 3.868 -3.008 -7.124 1.00 0.00 C ATOM 1305 CE1 HIS A 79 5.020 -1.363 -7.939 1.00 0.00 C ATOM 1306 NE2 HIS A 79 4.018 -2.193 -8.242 1.00 0.00 N ATOM 0 H HIS A 79 5.366 -6.038 -4.521 1.00 0.00 H new ATOM 0 HA HIS A 79 6.987 -3.753 -5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 79 4.190 -3.725 -4.414 1.00 0.00 H new ATOM 0 HB3 HIS A 79 5.261 -2.374 -4.099 1.00 0.00 H new ATOM 0 HD1 HIS A 79 6.273 -1.098 -6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.141 -3.800 -7.025 1.00 0.00 H new ATOM 0 HE1 HIS A 79 5.392 -0.596 -8.601 1.00 0.00 H new ATOM 1314 N PHE A 80 7.930 -3.424 -3.231 1.00 0.00 N ATOM 1315 CA PHE A 80 8.607 -3.465 -1.905 1.00 0.00 C ATOM 1316 C PHE A 80 8.119 -2.297 -1.046 1.00 0.00 C ATOM 1317 O PHE A 80 7.973 -1.185 -1.512 1.00 0.00 O ATOM 1318 CB PHE A 80 10.118 -3.361 -2.096 1.00 0.00 C ATOM 1319 CG PHE A 80 10.533 -4.187 -3.290 1.00 0.00 C ATOM 1320 CD1 PHE A 80 10.348 -3.689 -4.587 1.00 0.00 C ATOM 1321 CD2 PHE A 80 11.100 -5.454 -3.100 1.00 0.00 C ATOM 1322 CE1 PHE A 80 10.731 -4.458 -5.694 1.00 0.00 C ATOM 1323 CE2 PHE A 80 11.482 -6.223 -4.207 1.00 0.00 C ATOM 1324 CZ PHE A 80 11.297 -5.725 -5.503 1.00 0.00 C ATOM 0 H PHE A 80 8.313 -2.751 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 80 8.370 -4.406 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 80 10.406 -2.320 -2.243 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.633 -3.711 -1.202 1.00 0.00 H new ATOM 0 HD1 PHE A 80 9.910 -2.713 -4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 80 11.243 -5.838 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 80 10.590 -4.074 -6.694 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.919 -7.200 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 80 11.591 -6.319 -6.356 1.00 0.00 H new ATOM 1334 N PHE A 81 7.863 -2.549 0.207 1.00 0.00 N ATOM 1335 CA PHE A 81 7.379 -1.470 1.113 1.00 0.00 C ATOM 1336 C PHE A 81 7.989 -1.699 2.497 1.00 0.00 C ATOM 1337 O PHE A 81 7.840 -2.754 3.078 1.00 0.00 O ATOM 1338 CB PHE A 81 5.846 -1.540 1.174 1.00 0.00 C ATOM 1339 CG PHE A 81 5.288 -0.705 2.302 1.00 0.00 C ATOM 1340 CD1 PHE A 81 5.518 -1.063 3.639 1.00 0.00 C ATOM 1341 CD2 PHE A 81 4.502 0.416 2.004 1.00 0.00 C ATOM 1342 CE1 PHE A 81 4.963 -0.300 4.672 1.00 0.00 C ATOM 1343 CE2 PHE A 81 3.952 1.180 3.038 1.00 0.00 C ATOM 1344 CZ PHE A 81 4.180 0.821 4.370 1.00 0.00 C ATOM 0 H PHE A 81 7.969 -3.464 0.646 1.00 0.00 H new ATOM 0 HA PHE A 81 7.673 -0.484 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.429 -1.196 0.227 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.535 -2.577 1.302 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.123 -1.927 3.871 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.321 0.690 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.138 -0.575 5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.351 2.047 2.808 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.751 1.410 5.168 1.00 0.00 H new ATOM 1354 N GLN A 82 8.691 -0.733 3.025 1.00 0.00 N ATOM 1355 CA GLN A 82 9.321 -0.921 4.364 1.00 0.00 C ATOM 1356 C GLN A 82 8.969 0.256 5.274 1.00 0.00 C ATOM 1357 O GLN A 82 9.285 1.393 4.983 1.00 0.00 O ATOM 1358 CB GLN A 82 10.839 -1.000 4.207 1.00 0.00 C ATOM 1359 CG GLN A 82 11.469 -1.426 5.534 1.00 0.00 C ATOM 1360 CD GLN A 82 12.583 -0.445 5.908 1.00 0.00 C ATOM 1361 OE1 GLN A 82 13.762 -0.579 5.366 1.00 0.00 O flip ATOM 1362 NE2 GLN A 82 12.378 0.453 6.699 1.00 0.00 N flip ATOM 0 H GLN A 82 8.855 0.175 2.590 1.00 0.00 H new ATOM 0 HA GLN A 82 8.948 -1.844 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 82 11.097 -1.713 3.424 1.00 0.00 H new ATOM 0 HB3 GLN A 82 11.234 -0.032 3.899 1.00 0.00 H new ATOM 0 HG2 GLN A 82 10.712 -1.449 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.872 -2.435 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.456 0.558 7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.127 1.102 6.939 1.00 0.00 H new ATOM 1371 N ALA A 83 8.323 -0.013 6.378 1.00 0.00 N ATOM 1372 CA ALA A 83 7.948 1.085 7.312 1.00 0.00 C ATOM 1373 C ALA A 83 9.074 1.302 8.329 1.00 0.00 C ATOM 1374 O ALA A 83 10.238 1.142 8.022 1.00 0.00 O ATOM 1375 CB ALA A 83 6.661 0.705 8.046 1.00 0.00 C ATOM 0 H ALA A 83 8.039 -0.948 6.672 1.00 0.00 H new ATOM 0 HA ALA A 83 7.790 2.005 6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.383 1.506 8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.861 0.552 7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.821 -0.214 8.609 1.00 0.00 H new ATOM 1381 N ALA A 84 8.736 1.669 9.537 1.00 0.00 N ATOM 1382 CA ALA A 84 9.785 1.901 10.568 1.00 0.00 C ATOM 1383 C ALA A 84 9.935 0.659 11.445 1.00 0.00 C ATOM 1384 O ALA A 84 10.718 -0.225 11.163 1.00 0.00 O ATOM 1385 CB ALA A 84 9.388 3.095 11.438 1.00 0.00 C ATOM 0 H ALA A 84 7.778 1.818 9.853 1.00 0.00 H new ATOM 0 HA ALA A 84 10.735 2.107 10.074 1.00 0.00 H new ATOM 0 HB1 ALA A 84 10.155 3.266 12.193 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.289 3.983 10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.436 2.888 11.928 1.00 0.00 H new ATOM 1391 N PHE A 85 9.192 0.593 12.507 1.00 0.00 N ATOM 1392 CA PHE A 85 9.286 -0.590 13.415 1.00 0.00 C ATOM 1393 C PHE A 85 8.187 -1.592 13.061 1.00 0.00 C ATOM 1394 O PHE A 85 7.278 -1.292 12.316 1.00 0.00 O ATOM 1395 CB PHE A 85 9.128 -0.169 14.888 1.00 0.00 C ATOM 1396 CG PHE A 85 8.861 1.315 14.998 1.00 0.00 C ATOM 1397 CD1 PHE A 85 9.881 2.234 14.720 1.00 0.00 C ATOM 1398 CD2 PHE A 85 7.592 1.772 15.378 1.00 0.00 C ATOM 1399 CE1 PHE A 85 9.634 3.609 14.823 1.00 0.00 C ATOM 1400 CE2 PHE A 85 7.343 3.147 15.481 1.00 0.00 C ATOM 1401 CZ PHE A 85 8.364 4.066 15.203 1.00 0.00 C ATOM 0 H PHE A 85 8.520 1.306 12.792 1.00 0.00 H new ATOM 0 HA PHE A 85 10.268 -1.045 13.285 1.00 0.00 H new ATOM 0 HB2 PHE A 85 8.309 -0.725 15.344 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.032 -0.422 15.442 1.00 0.00 H new ATOM 0 HD1 PHE A 85 10.859 1.882 14.426 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.805 1.064 15.592 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.421 4.317 14.610 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.365 3.498 15.774 1.00 0.00 H new ATOM 0 HZ PHE A 85 8.173 5.126 15.281 1.00 0.00 H new ATOM 1411 N LEU A 86 8.267 -2.783 13.586 1.00 0.00 N ATOM 1412 CA LEU A 86 7.231 -3.808 13.276 1.00 0.00 C ATOM 1413 C LEU A 86 5.835 -3.235 13.548 1.00 0.00 C ATOM 1414 O LEU A 86 4.848 -3.730 13.049 1.00 0.00 O ATOM 1415 CB LEU A 86 7.475 -5.059 14.139 1.00 0.00 C ATOM 1416 CG LEU A 86 6.706 -4.965 15.464 1.00 0.00 C ATOM 1417 CD1 LEU A 86 7.001 -6.201 16.314 1.00 0.00 C ATOM 1418 CD2 LEU A 86 7.140 -3.711 16.225 1.00 0.00 C ATOM 0 H LEU A 86 9.006 -3.091 14.217 1.00 0.00 H new ATOM 0 HA LEU A 86 7.294 -4.085 12.224 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.162 -5.949 13.594 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.541 -5.166 14.339 1.00 0.00 H new ATOM 0 HG LEU A 86 5.637 -4.910 15.256 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.455 -6.134 17.255 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.688 -7.096 15.776 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.070 -6.255 16.518 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.592 -3.648 17.165 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.209 -3.762 16.431 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.929 -2.828 15.622 1.00 0.00 H new ATOM 1430 N GLU A 87 5.745 -2.204 14.342 1.00 0.00 N ATOM 1431 CA GLU A 87 4.408 -1.618 14.644 1.00 0.00 C ATOM 1432 C GLU A 87 3.881 -0.874 13.416 1.00 0.00 C ATOM 1433 O GLU A 87 2.739 -1.026 13.028 1.00 0.00 O ATOM 1434 CB GLU A 87 4.530 -0.643 15.817 1.00 0.00 C ATOM 1435 CG GLU A 87 3.170 -0.499 16.504 1.00 0.00 C ATOM 1436 CD GLU A 87 2.895 0.978 16.790 1.00 0.00 C ATOM 1437 OE1 GLU A 87 3.503 1.506 17.707 1.00 0.00 O ATOM 1438 OE2 GLU A 87 2.081 1.556 16.089 1.00 0.00 O ATOM 0 H GLU A 87 6.535 -1.743 14.793 1.00 0.00 H new ATOM 0 HA GLU A 87 3.716 -2.418 14.906 1.00 0.00 H new ATOM 0 HB2 GLU A 87 5.272 -1.004 16.529 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.875 0.328 15.462 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.385 -0.909 15.869 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.158 -1.068 17.433 1.00 0.00 H new ATOM 1445 N GLU A 88 4.702 -0.067 12.802 1.00 0.00 N ATOM 1446 CA GLU A 88 4.246 0.690 11.603 1.00 0.00 C ATOM 1447 C GLU A 88 4.143 -0.258 10.405 1.00 0.00 C ATOM 1448 O GLU A 88 3.154 -0.276 9.699 1.00 0.00 O ATOM 1449 CB GLU A 88 5.254 1.797 11.288 1.00 0.00 C ATOM 1450 CG GLU A 88 4.613 2.820 10.349 1.00 0.00 C ATOM 1451 CD GLU A 88 5.252 4.192 10.576 1.00 0.00 C ATOM 1452 OE1 GLU A 88 5.142 4.699 11.679 1.00 0.00 O ATOM 1453 OE2 GLU A 88 5.840 4.711 9.642 1.00 0.00 O ATOM 0 H GLU A 88 5.669 0.101 13.079 1.00 0.00 H new ATOM 0 HA GLU A 88 3.269 1.130 11.803 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.575 2.284 12.209 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.145 1.371 10.826 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.747 2.512 9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.539 2.873 10.530 1.00 0.00 H new ATOM 1460 N ARG A 89 5.159 -1.041 10.169 1.00 0.00 N ATOM 1461 CA ARG A 89 5.124 -1.982 9.015 1.00 0.00 C ATOM 1462 C ARG A 89 4.025 -3.028 9.225 1.00 0.00 C ATOM 1463 O ARG A 89 3.442 -3.521 8.281 1.00 0.00 O ATOM 1464 CB ARG A 89 6.477 -2.686 8.893 1.00 0.00 C ATOM 1465 CG ARG A 89 6.422 -3.710 7.758 1.00 0.00 C ATOM 1466 CD ARG A 89 6.454 -5.123 8.342 1.00 0.00 C ATOM 1467 NE ARG A 89 5.150 -5.797 8.084 1.00 0.00 N ATOM 1468 CZ ARG A 89 4.816 -6.857 8.768 1.00 0.00 C ATOM 1469 NH1 ARG A 89 4.775 -6.807 10.072 1.00 0.00 N ATOM 1470 NH2 ARG A 89 4.522 -7.968 8.148 1.00 0.00 N ATOM 0 H ARG A 89 6.013 -1.070 10.726 1.00 0.00 H new ATOM 0 HA ARG A 89 4.916 -1.422 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.262 -1.955 8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.727 -3.181 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.515 -3.569 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 89 7.265 -3.565 7.083 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.266 -5.695 7.893 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.648 -5.081 9.414 1.00 0.00 H new ATOM 0 HE ARG A 89 4.518 -5.430 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.004 -5.939 10.557 1.00 0.00 H new ATOM 0 HH12 ARG A 89 4.514 -7.636 10.606 1.00 0.00 H new ATOM 0 HH21 ARG A 89 4.553 -8.007 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 89 4.261 -8.797 8.682 1.00 0.00 H new ATOM 1484 N ASP A 90 3.736 -3.372 10.451 1.00 0.00 N ATOM 1485 CA ASP A 90 2.672 -4.389 10.701 1.00 0.00 C ATOM 1486 C ASP A 90 1.300 -3.753 10.480 1.00 0.00 C ATOM 1487 O ASP A 90 0.421 -4.346 9.889 1.00 0.00 O ATOM 1488 CB ASP A 90 2.770 -4.898 12.140 1.00 0.00 C ATOM 1489 CG ASP A 90 1.620 -5.869 12.415 1.00 0.00 C ATOM 1490 OD1 ASP A 90 0.885 -6.164 11.488 1.00 0.00 O ATOM 1491 OD2 ASP A 90 1.494 -6.301 13.549 1.00 0.00 O ATOM 0 H ASP A 90 4.186 -2.996 11.286 1.00 0.00 H new ATOM 0 HA ASP A 90 2.804 -5.225 10.014 1.00 0.00 H new ATOM 0 HB2 ASP A 90 3.727 -5.396 12.297 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.729 -4.061 12.837 1.00 0.00 H new ATOM 1496 N ALA A 91 1.108 -2.550 10.947 1.00 0.00 N ATOM 1497 CA ALA A 91 -0.209 -1.882 10.756 1.00 0.00 C ATOM 1498 C ALA A 91 -0.341 -1.443 9.297 1.00 0.00 C ATOM 1499 O ALA A 91 -1.426 -1.206 8.804 1.00 0.00 O ATOM 1500 CB ALA A 91 -0.298 -0.656 11.668 1.00 0.00 C ATOM 0 H ALA A 91 1.805 -2.002 11.452 1.00 0.00 H new ATOM 0 HA ALA A 91 -1.012 -2.576 11.005 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.262 -0.167 11.528 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.197 -0.968 12.708 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.502 0.041 11.419 1.00 0.00 H new ATOM 1506 N TRP A 92 0.757 -1.337 8.604 1.00 0.00 N ATOM 1507 CA TRP A 92 0.706 -0.920 7.177 1.00 0.00 C ATOM 1508 C TRP A 92 0.410 -2.145 6.309 1.00 0.00 C ATOM 1509 O TRP A 92 -0.302 -2.070 5.328 1.00 0.00 O ATOM 1510 CB TRP A 92 2.060 -0.333 6.781 1.00 0.00 C ATOM 1511 CG TRP A 92 1.946 1.147 6.618 1.00 0.00 C ATOM 1512 CD1 TRP A 92 2.415 2.062 7.497 1.00 0.00 C ATOM 1513 CD2 TRP A 92 1.340 1.899 5.526 1.00 0.00 C ATOM 1514 NE1 TRP A 92 2.138 3.329 7.015 1.00 0.00 N ATOM 1515 CE2 TRP A 92 1.476 3.281 5.804 1.00 0.00 C ATOM 1516 CE3 TRP A 92 0.694 1.521 4.335 1.00 0.00 C ATOM 1517 CZ2 TRP A 92 0.987 4.252 4.930 1.00 0.00 C ATOM 1518 CZ3 TRP A 92 0.201 2.496 3.451 1.00 0.00 C ATOM 1519 CH2 TRP A 92 0.347 3.860 3.749 1.00 0.00 C ATOM 0 H TRP A 92 1.692 -1.522 8.967 1.00 0.00 H new ATOM 0 HA TRP A 92 -0.074 -0.172 7.034 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.804 -0.567 7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 92 2.403 -0.784 5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.923 1.840 8.424 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.392 4.192 7.495 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.576 0.474 4.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.102 5.300 5.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.292 2.195 2.539 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.034 4.606 3.067 1.00 0.00 H new ATOM 1530 N VAL A 93 0.955 -3.275 6.670 1.00 0.00 N ATOM 1531 CA VAL A 93 0.715 -4.516 5.881 1.00 0.00 C ATOM 1532 C VAL A 93 -0.683 -5.054 6.203 1.00 0.00 C ATOM 1533 O VAL A 93 -1.340 -5.649 5.371 1.00 0.00 O ATOM 1534 CB VAL A 93 1.781 -5.557 6.249 1.00 0.00 C ATOM 1535 CG1 VAL A 93 1.426 -6.221 7.580 1.00 0.00 C ATOM 1536 CG2 VAL A 93 1.855 -6.624 5.158 1.00 0.00 C ATOM 0 H VAL A 93 1.560 -3.392 7.483 1.00 0.00 H new ATOM 0 HA VAL A 93 0.777 -4.302 4.814 1.00 0.00 H new ATOM 0 HB VAL A 93 2.746 -5.058 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.188 -6.958 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.379 -5.464 8.363 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.458 -6.715 7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.613 -7.362 5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.887 -7.116 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.118 -6.157 4.209 1.00 0.00 H new ATOM 1546 N ARG A 94 -1.140 -4.845 7.408 1.00 0.00 N ATOM 1547 CA ARG A 94 -2.491 -5.341 7.794 1.00 0.00 C ATOM 1548 C ARG A 94 -3.554 -4.333 7.351 1.00 0.00 C ATOM 1549 O ARG A 94 -4.701 -4.677 7.151 1.00 0.00 O ATOM 1550 CB ARG A 94 -2.558 -5.513 9.313 1.00 0.00 C ATOM 1551 CG ARG A 94 -1.371 -6.355 9.785 1.00 0.00 C ATOM 1552 CD ARG A 94 -1.705 -7.839 9.627 1.00 0.00 C ATOM 1553 NE ARG A 94 -2.391 -8.326 10.856 1.00 0.00 N ATOM 1554 CZ ARG A 94 -2.943 -9.509 10.872 1.00 0.00 C ATOM 1555 NH1 ARG A 94 -2.194 -10.576 10.919 1.00 0.00 N ATOM 1556 NH2 ARG A 94 -4.242 -9.624 10.838 1.00 0.00 N ATOM 0 H ARG A 94 -0.634 -4.351 8.143 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.675 -6.300 7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.543 -4.538 9.801 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -3.494 -5.996 9.594 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.482 -6.107 9.205 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.144 -6.131 10.827 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.344 -7.988 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.794 -8.412 9.455 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.430 -7.735 11.686 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.178 -10.485 10.943 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.624 -11.501 10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.827 -8.789 10.799 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.673 -10.549 10.851 1.00 0.00 H new ATOM 1570 N ASP A 95 -3.185 -3.090 7.196 1.00 0.00 N ATOM 1571 CA ASP A 95 -4.182 -2.072 6.763 1.00 0.00 C ATOM 1572 C ASP A 95 -4.309 -2.105 5.241 1.00 0.00 C ATOM 1573 O ASP A 95 -5.390 -1.993 4.698 1.00 0.00 O ATOM 1574 CB ASP A 95 -3.731 -0.681 7.210 1.00 0.00 C ATOM 1575 CG ASP A 95 -4.909 0.290 7.117 1.00 0.00 C ATOM 1576 OD1 ASP A 95 -5.804 0.031 6.328 1.00 0.00 O ATOM 1577 OD2 ASP A 95 -4.900 1.274 7.837 1.00 0.00 O ATOM 0 H ASP A 95 -2.240 -2.738 7.350 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.148 -2.296 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.357 -0.719 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.909 -0.334 6.583 1.00 0.00 H new ATOM 1582 N ILE A 96 -3.217 -2.266 4.545 1.00 0.00 N ATOM 1583 CA ILE A 96 -3.291 -2.316 3.059 1.00 0.00 C ATOM 1584 C ILE A 96 -3.931 -3.643 2.644 1.00 0.00 C ATOM 1585 O ILE A 96 -4.632 -3.723 1.657 1.00 0.00 O ATOM 1586 CB ILE A 96 -1.883 -2.207 2.460 1.00 0.00 C ATOM 1587 CG1 ILE A 96 -1.397 -0.756 2.574 1.00 0.00 C ATOM 1588 CG2 ILE A 96 -1.923 -2.625 0.988 1.00 0.00 C ATOM 1589 CD1 ILE A 96 -0.181 -0.531 1.667 1.00 0.00 C ATOM 0 H ILE A 96 -2.281 -2.365 4.939 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.891 -1.484 2.691 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.200 -2.862 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.199 -0.073 2.295 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.134 -0.533 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.923 -2.548 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.272 -3.655 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.602 -1.970 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.154 0.502 1.757 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.625 -1.201 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.456 -0.734 0.632 1.00 0.00 H new ATOM 1601 N ASN A 97 -3.701 -4.683 3.400 1.00 0.00 N ATOM 1602 CA ASN A 97 -4.304 -6.002 3.056 1.00 0.00 C ATOM 1603 C ASN A 97 -5.725 -6.068 3.618 1.00 0.00 C ATOM 1604 O ASN A 97 -6.594 -6.711 3.063 1.00 0.00 O ATOM 1605 CB ASN A 97 -3.460 -7.123 3.666 1.00 0.00 C ATOM 1606 CG ASN A 97 -3.756 -8.437 2.942 1.00 0.00 C ATOM 1607 OD1 ASN A 97 -4.473 -8.456 1.961 1.00 0.00 O ATOM 1608 ND2 ASN A 97 -3.232 -9.546 3.387 1.00 0.00 N ATOM 0 H ASN A 97 -3.122 -4.676 4.240 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.333 -6.121 1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.400 -6.881 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.682 -7.223 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -3.424 -10.428 2.912 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.630 -9.531 4.210 1.00 0.00 H new ATOM 1615 N LYS A 98 -5.970 -5.403 4.714 1.00 0.00 N ATOM 1616 CA LYS A 98 -7.334 -5.423 5.310 1.00 0.00 C ATOM 1617 C LYS A 98 -8.297 -4.695 4.371 1.00 0.00 C ATOM 1618 O LYS A 98 -9.340 -5.207 4.014 1.00 0.00 O ATOM 1619 CB LYS A 98 -7.310 -4.715 6.667 1.00 0.00 C ATOM 1620 CG LYS A 98 -8.736 -4.597 7.208 1.00 0.00 C ATOM 1621 CD LYS A 98 -8.798 -5.181 8.621 1.00 0.00 C ATOM 1622 CE LYS A 98 -9.756 -6.374 8.639 1.00 0.00 C ATOM 1623 NZ LYS A 98 -9.150 -7.487 9.423 1.00 0.00 N ATOM 0 H LYS A 98 -5.283 -4.846 5.222 1.00 0.00 H new ATOM 0 HA LYS A 98 -7.661 -6.453 5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.689 -5.272 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.866 -3.725 6.564 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.045 -3.552 7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -9.429 -5.126 6.554 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.804 -5.494 8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.134 -4.420 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.709 -6.082 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.963 -6.703 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.801 -8.298 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.251 -7.771 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.974 -7.170 10.398 1.00 0.00 H new ATOM 1637 N ALA A 99 -7.952 -3.506 3.964 1.00 0.00 N ATOM 1638 CA ALA A 99 -8.840 -2.747 3.042 1.00 0.00 C ATOM 1639 C ALA A 99 -8.875 -3.458 1.689 1.00 0.00 C ATOM 1640 O ALA A 99 -9.874 -3.450 0.998 1.00 0.00 O ATOM 1641 CB ALA A 99 -8.298 -1.328 2.860 1.00 0.00 C ATOM 0 H ALA A 99 -7.092 -3.027 4.231 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.846 -2.695 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.949 -0.774 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.264 -0.825 3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.293 -1.373 2.439 1.00 0.00 H new ATOM 1647 N ILE A 100 -7.790 -4.078 1.310 1.00 0.00 N ATOM 1648 CA ILE A 100 -7.757 -4.797 0.005 1.00 0.00 C ATOM 1649 C ILE A 100 -8.799 -5.920 0.025 1.00 0.00 C ATOM 1650 O ILE A 100 -9.494 -6.152 -0.944 1.00 0.00 O ATOM 1651 CB ILE A 100 -6.354 -5.379 -0.219 1.00 0.00 C ATOM 1652 CG1 ILE A 100 -5.430 -4.282 -0.750 1.00 0.00 C ATOM 1653 CG2 ILE A 100 -6.412 -6.522 -1.238 1.00 0.00 C ATOM 1654 CD1 ILE A 100 -3.974 -4.729 -0.615 1.00 0.00 C ATOM 0 H ILE A 100 -6.925 -4.117 1.849 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.988 -4.108 -0.808 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.974 -5.762 0.728 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.661 -4.072 -1.794 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.590 -3.357 -0.195 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.411 -6.926 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.069 -7.308 -0.866 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.797 -6.145 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.317 -3.946 -0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.747 -4.917 0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.819 -5.642 -1.189 1.00 0.00 H new ATOM 1666 N LYS A 101 -8.911 -6.620 1.122 1.00 0.00 N ATOM 1667 CA LYS A 101 -9.907 -7.728 1.199 1.00 0.00 C ATOM 1668 C LYS A 101 -11.280 -7.160 1.560 1.00 0.00 C ATOM 1669 O LYS A 101 -12.288 -7.826 1.445 1.00 0.00 O ATOM 1670 CB LYS A 101 -9.474 -8.728 2.272 1.00 0.00 C ATOM 1671 CG LYS A 101 -8.959 -10.005 1.605 1.00 0.00 C ATOM 1672 CD LYS A 101 -8.685 -11.063 2.676 1.00 0.00 C ATOM 1673 CE LYS A 101 -8.126 -12.326 2.016 1.00 0.00 C ATOM 1674 NZ LYS A 101 -7.517 -13.201 3.058 1.00 0.00 N ATOM 0 H LYS A 101 -8.358 -6.473 1.966 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.965 -8.230 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.694 -8.292 2.896 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.314 -8.961 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.693 -10.377 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.048 -9.794 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.976 -10.679 3.409 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.604 -11.297 3.214 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.921 -12.860 1.496 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.379 -12.059 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.137 -14.060 2.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -6.748 -12.689 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -8.241 -13.466 3.756 1.00 0.00 H new ATOM 1688 N CYS A 102 -11.322 -5.935 1.995 1.00 0.00 N ATOM 1689 CA CYS A 102 -12.626 -5.318 2.368 1.00 0.00 C ATOM 1690 C CYS A 102 -13.169 -4.513 1.186 1.00 0.00 C ATOM 1691 O CYS A 102 -14.312 -4.101 1.174 1.00 0.00 O ATOM 1692 CB CYS A 102 -12.426 -4.391 3.568 1.00 0.00 C ATOM 1693 SG CYS A 102 -13.652 -4.779 4.842 1.00 0.00 S ATOM 0 H CYS A 102 -10.508 -5.331 2.109 1.00 0.00 H new ATOM 0 HA CYS A 102 -13.337 -6.102 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -11.419 -4.510 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -12.525 -3.351 3.258 1.00 0.00 H new ATOM 0 HG CYS A 102 -13.481 -3.993 5.863 1.00 0.00 H new ATOM 1699 N ILE A 103 -12.357 -4.283 0.192 1.00 0.00 N ATOM 1700 CA ILE A 103 -12.815 -3.503 -0.986 1.00 0.00 C ATOM 1701 C ILE A 103 -13.329 -4.461 -2.063 1.00 0.00 C ATOM 1702 O ILE A 103 -13.999 -4.062 -2.995 1.00 0.00 O ATOM 1703 CB ILE A 103 -11.631 -2.707 -1.528 1.00 0.00 C ATOM 1704 CG1 ILE A 103 -12.047 -1.969 -2.795 1.00 0.00 C ATOM 1705 CG2 ILE A 103 -10.488 -3.665 -1.857 1.00 0.00 C ATOM 1706 CD1 ILE A 103 -13.087 -0.902 -2.450 1.00 0.00 C ATOM 0 H ILE A 103 -11.390 -4.605 0.147 1.00 0.00 H new ATOM 0 HA ILE A 103 -13.620 -2.826 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.305 -1.986 -0.778 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.177 -1.506 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.459 -2.672 -3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.640 -3.100 -2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.188 -4.197 -0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.819 -4.383 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.383 -0.376 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.961 -1.377 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -12.659 -0.192 -1.742 1.00 0.00 H new ATOM 1718 N GLU A 104 -13.023 -5.725 -1.941 1.00 0.00 N ATOM 1719 CA GLU A 104 -13.497 -6.708 -2.957 1.00 0.00 C ATOM 1720 C GLU A 104 -14.953 -7.076 -2.671 1.00 0.00 C ATOM 1721 O GLU A 104 -15.591 -7.769 -3.438 1.00 0.00 O ATOM 1722 CB GLU A 104 -12.633 -7.971 -2.896 1.00 0.00 C ATOM 1723 CG GLU A 104 -11.205 -7.602 -2.488 1.00 0.00 C ATOM 1724 CD GLU A 104 -10.283 -8.801 -2.719 1.00 0.00 C ATOM 1725 OE1 GLU A 104 -10.048 -9.130 -3.870 1.00 0.00 O ATOM 1726 OE2 GLU A 104 -9.830 -9.371 -1.741 1.00 0.00 O ATOM 0 H GLU A 104 -12.466 -6.119 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 104 -13.420 -6.264 -3.950 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -13.055 -8.677 -2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -12.627 -8.466 -3.867 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -10.859 -6.747 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.180 -7.307 -1.439 1.00 0.00 H new ATOM 1733 N GLY A 105 -15.483 -6.615 -1.574 1.00 0.00 N ATOM 1734 CA GLY A 105 -16.899 -6.932 -1.235 1.00 0.00 C ATOM 1735 C GLY A 105 -17.656 -5.634 -0.953 1.00 0.00 C ATOM 1736 O GLY A 105 -18.786 -5.645 -0.506 1.00 0.00 O ATOM 0 H GLY A 105 -14.996 -6.030 -0.895 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.370 -7.469 -2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -16.938 -7.586 -0.364 1.00 0.00 H new ATOM 1740 N LEU A 106 -17.040 -4.516 -1.213 1.00 0.00 N ATOM 1741 CA LEU A 106 -17.716 -3.214 -0.964 1.00 0.00 C ATOM 1742 C LEU A 106 -18.248 -2.664 -2.283 1.00 0.00 C ATOM 1743 O LEU A 106 -17.919 -1.569 -2.697 1.00 0.00 O ATOM 1744 CB LEU A 106 -16.715 -2.229 -0.357 1.00 0.00 C ATOM 1745 CG LEU A 106 -17.243 -1.727 0.988 1.00 0.00 C ATOM 1746 CD1 LEU A 106 -18.537 -0.941 0.770 1.00 0.00 C ATOM 1747 CD2 LEU A 106 -17.521 -2.922 1.903 1.00 0.00 C ATOM 0 H LEU A 106 -16.094 -4.448 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 106 -18.545 -3.355 -0.270 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -15.748 -2.714 -0.222 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -16.559 -1.389 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 106 -16.499 -1.078 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -18.912 -0.584 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -18.340 -0.090 0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -19.282 -1.588 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -17.897 -2.566 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -18.265 -3.570 1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -16.599 -3.482 2.060 1.00 0.00 H new ATOM 1759 N GLU A 107 -19.070 -3.424 -2.941 1.00 0.00 N ATOM 1760 CA GLU A 107 -19.642 -2.968 -4.239 1.00 0.00 C ATOM 1761 C GLU A 107 -21.062 -2.445 -4.017 1.00 0.00 C ATOM 1762 O GLU A 107 -21.272 -1.272 -3.777 1.00 0.00 O ATOM 1763 CB GLU A 107 -19.678 -4.141 -5.221 1.00 0.00 C ATOM 1764 CG GLU A 107 -18.280 -4.365 -5.803 1.00 0.00 C ATOM 1765 CD GLU A 107 -18.369 -5.318 -6.996 1.00 0.00 C ATOM 1766 OE1 GLU A 107 -18.484 -6.511 -6.769 1.00 0.00 O ATOM 1767 OE2 GLU A 107 -18.321 -4.840 -8.117 1.00 0.00 O ATOM 0 H GLU A 107 -19.375 -4.349 -2.636 1.00 0.00 H new ATOM 0 HA GLU A 107 -19.022 -2.170 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -20.021 -5.043 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -20.388 -3.936 -6.022 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -17.848 -3.414 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -17.620 -4.780 -5.041 1.00 0.00 H new ATOM 1774 N HIS A 108 -22.041 -3.306 -4.093 1.00 0.00 N ATOM 1775 CA HIS A 108 -23.446 -2.856 -3.885 1.00 0.00 C ATOM 1776 C HIS A 108 -24.404 -3.996 -4.235 1.00 0.00 C ATOM 1777 O HIS A 108 -25.409 -4.198 -3.582 1.00 0.00 O ATOM 1778 CB HIS A 108 -23.735 -1.653 -4.783 1.00 0.00 C ATOM 1779 CG HIS A 108 -24.105 -0.469 -3.933 1.00 0.00 C ATOM 1780 ND1 HIS A 108 -23.380 0.613 -3.500 1.00 0.00 N flip ATOM 1781 CD2 HIS A 108 -25.381 -0.302 -3.414 1.00 0.00 C flip ATOM 1782 CE1 HIS A 108 -24.188 1.441 -2.726 1.00 0.00 C flip ATOM 1783 NE2 HIS A 108 -25.382 0.843 -2.706 1.00 0.00 N flip ATOM 0 H HIS A 108 -21.928 -4.300 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 108 -23.585 -2.572 -2.842 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -22.859 -1.420 -5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -24.546 -1.887 -5.472 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -22.397 0.784 -3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -26.220 -0.968 -3.553 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -23.909 2.367 -2.245 1.00 0.00 H new ATOM 1791 N HIS A 109 -24.103 -4.744 -5.261 1.00 0.00 N ATOM 1792 CA HIS A 109 -24.998 -5.869 -5.652 1.00 0.00 C ATOM 1793 C HIS A 109 -24.223 -7.186 -5.574 1.00 0.00 C ATOM 1794 O HIS A 109 -23.297 -7.419 -6.326 1.00 0.00 O ATOM 1795 CB HIS A 109 -25.497 -5.653 -7.081 1.00 0.00 C ATOM 1796 CG HIS A 109 -26.811 -4.922 -7.047 1.00 0.00 C ATOM 1797 ND1 HIS A 109 -27.724 -4.992 -8.088 1.00 0.00 N ATOM 1798 CD2 HIS A 109 -27.379 -4.101 -6.105 1.00 0.00 C ATOM 1799 CE1 HIS A 109 -28.783 -4.233 -7.750 1.00 0.00 C ATOM 1800 NE2 HIS A 109 -28.624 -3.666 -6.551 1.00 0.00 N ATOM 0 H HIS A 109 -23.276 -4.624 -5.845 1.00 0.00 H new ATOM 0 HA HIS A 109 -25.850 -5.908 -4.974 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -24.765 -5.081 -7.651 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -25.615 -6.612 -7.585 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -26.928 -3.833 -5.161 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -29.655 -4.099 -8.373 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -29.275 -3.048 -6.067 1.00 0.00 H new ATOM 1808 N HIS A 110 -24.594 -8.049 -4.669 1.00 0.00 N ATOM 1809 CA HIS A 110 -23.880 -9.351 -4.541 1.00 0.00 C ATOM 1810 C HIS A 110 -24.240 -10.250 -5.725 1.00 0.00 C ATOM 1811 O HIS A 110 -24.606 -9.783 -6.785 1.00 0.00 O ATOM 1812 CB HIS A 110 -24.297 -10.035 -3.238 1.00 0.00 C ATOM 1813 CG HIS A 110 -23.119 -10.769 -2.657 1.00 0.00 C ATOM 1814 ND1 HIS A 110 -23.264 -11.742 -1.682 1.00 0.00 N ATOM 1815 CD2 HIS A 110 -21.771 -10.683 -2.905 1.00 0.00 C ATOM 1816 CE1 HIS A 110 -22.035 -12.200 -1.380 1.00 0.00 C ATOM 1817 NE2 HIS A 110 -21.089 -11.588 -2.098 1.00 0.00 N ATOM 0 H HIS A 110 -25.361 -7.909 -4.012 1.00 0.00 H new ATOM 0 HA HIS A 110 -22.804 -9.175 -4.532 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -24.664 -9.294 -2.527 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -25.116 -10.730 -3.425 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -21.311 -10.015 -3.618 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -21.838 -12.968 -0.647 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -20.083 -11.750 -2.062 1.00 0.00 H new ATOM 1825 N HIS A 111 -24.139 -11.540 -5.552 1.00 0.00 N ATOM 1826 CA HIS A 111 -24.475 -12.470 -6.667 1.00 0.00 C ATOM 1827 C HIS A 111 -25.743 -13.249 -6.314 1.00 0.00 C ATOM 1828 O HIS A 111 -26.174 -13.273 -5.177 1.00 0.00 O ATOM 1829 CB HIS A 111 -23.317 -13.449 -6.880 1.00 0.00 C ATOM 1830 CG HIS A 111 -23.313 -13.918 -8.308 1.00 0.00 C ATOM 1831 ND1 HIS A 111 -23.454 -13.042 -9.374 1.00 0.00 N ATOM 1832 CD2 HIS A 111 -23.186 -15.167 -8.864 1.00 0.00 C ATOM 1833 CE1 HIS A 111 -23.408 -13.771 -10.505 1.00 0.00 C ATOM 1834 NE2 HIS A 111 -23.247 -15.072 -10.251 1.00 0.00 N ATOM 0 H HIS A 111 -23.838 -11.990 -4.687 1.00 0.00 H new ATOM 0 HA HIS A 111 -24.641 -11.899 -7.581 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -22.370 -12.965 -6.642 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -23.418 -14.300 -6.207 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -23.058 -16.084 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -23.491 -13.354 -11.498 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -23.183 -15.832 -10.928 1.00 0.00 H new ATOM 1842 N HIS A 112 -26.345 -13.889 -7.278 1.00 0.00 N ATOM 1843 CA HIS A 112 -27.584 -14.667 -6.996 1.00 0.00 C ATOM 1844 C HIS A 112 -28.577 -13.786 -6.235 1.00 0.00 C ATOM 1845 O HIS A 112 -28.697 -13.870 -5.029 1.00 0.00 O ATOM 1846 CB HIS A 112 -27.234 -15.892 -6.149 1.00 0.00 C ATOM 1847 CG HIS A 112 -28.400 -16.842 -6.134 1.00 0.00 C ATOM 1848 ND1 HIS A 112 -28.606 -17.774 -7.139 1.00 0.00 N ATOM 1849 CD2 HIS A 112 -29.430 -17.016 -5.244 1.00 0.00 C ATOM 1850 CE1 HIS A 112 -29.721 -18.462 -6.830 1.00 0.00 C ATOM 1851 NE2 HIS A 112 -30.263 -18.040 -5.685 1.00 0.00 N ATOM 0 H HIS A 112 -26.033 -13.907 -8.249 1.00 0.00 H new ATOM 0 HA HIS A 112 -28.032 -14.991 -7.935 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -26.352 -16.388 -6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -26.988 -15.586 -5.132 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -29.573 -16.445 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -30.128 -19.259 -7.435 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -31.106 -18.392 -5.231 1.00 0.00 H new ATOM 1859 N HIS A 113 -29.290 -12.942 -6.929 1.00 0.00 N ATOM 1860 CA HIS A 113 -30.274 -12.058 -6.243 1.00 0.00 C ATOM 1861 C HIS A 113 -31.514 -12.871 -5.868 1.00 0.00 C ATOM 1862 O HIS A 113 -31.586 -14.024 -6.263 1.00 0.00 O ATOM 1863 CB HIS A 113 -30.676 -10.918 -7.181 1.00 0.00 C ATOM 1864 CG HIS A 113 -30.965 -11.472 -8.550 1.00 0.00 C ATOM 1865 ND1 HIS A 113 -32.158 -12.108 -8.854 1.00 0.00 N ATOM 1866 CD2 HIS A 113 -30.225 -11.492 -9.706 1.00 0.00 C ATOM 1867 CE1 HIS A 113 -32.103 -12.479 -10.146 1.00 0.00 C ATOM 1868 NE2 HIS A 113 -30.945 -12.129 -10.713 1.00 0.00 N ATOM 1869 OXT HIS A 113 -32.371 -12.328 -5.190 1.00 0.00 O ATOM 0 H HIS A 113 -29.234 -12.826 -7.941 1.00 0.00 H new ATOM 0 HA HIS A 113 -29.824 -11.644 -5.341 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -31.556 -10.405 -6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -29.876 -10.180 -7.237 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -29.234 -11.077 -9.817 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -32.898 -12.997 -10.662 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -30.652 -12.293 -11.676 1.00 0.00 H new TER 1877 HIS A 113