USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 914 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.446 X(o=-0.45,f=-0.25) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= -0.429 (180deg=-0.437) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.39! C(o=-3.4!,f=-22!) USER MOD Single : A 24 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.29) USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0.54 (180deg=0.503) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 121:sc= -3.11! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 176:sc= 0.0471 (180deg=0.0327) USER MOD Single : A 68 THR OG1 : rot 120:sc= -1.04 USER MOD Single : A 71 SER OG : rot 90:sc= 0.507 USER MOD Single : A 75 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.7!) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot -20:sc= 0.744 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.903! USER MOD Single : A 84 THR OG1 : rot -52:sc= 0.191 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.083) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot -39:sc= -2.03! USER MOD Single : A 100 THR OG1 : rot -73:sc= 0.367 USER MOD Single : A 110 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= -0.0523 (180deg=-0.278) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 34:sc= -0.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -14.343 5.561 14.968 1.00 7.08 N ATOM 2 CA ASP A 1 -13.492 6.042 13.842 1.00 6.65 C ATOM 3 C ASP A 1 -12.188 6.635 14.381 1.00 5.96 C ATOM 4 O ASP A 1 -12.112 7.805 14.703 1.00 6.16 O ATOM 5 CB ASP A 1 -14.327 7.117 13.147 1.00 7.15 C ATOM 6 CG ASP A 1 -13.902 8.497 13.655 1.00 7.15 C ATOM 7 OD1 ASP A 1 -12.737 8.827 13.508 1.00 7.22 O ATOM 8 OD2 ASP A 1 -14.749 9.198 14.183 1.00 7.37 O ATOM 0 H1 ASP A 1 -15.225 5.161 14.590 1.00 7.08 H new ATOM 0 H2 ASP A 1 -13.832 4.829 15.502 1.00 7.08 H new ATOM 0 H3 ASP A 1 -14.567 6.357 15.599 1.00 7.08 H new ATOM 0 HA ASP A 1 -13.215 5.239 13.160 1.00 6.65 H new ATOM 0 HB2 ASP A 1 -14.191 7.057 12.067 1.00 7.15 H new ATOM 0 HB3 ASP A 1 -15.387 6.955 13.345 1.00 7.15 H new ATOM 15 N ALA A 2 -11.161 5.834 14.483 1.00 5.41 N ATOM 16 CA ALA A 2 -9.863 6.349 15.002 1.00 4.78 C ATOM 17 C ALA A 2 -8.704 5.852 14.125 1.00 3.77 C ATOM 18 O ALA A 2 -8.777 4.779 13.560 1.00 3.42 O ATOM 19 CB ALA A 2 -9.749 5.775 16.415 1.00 5.00 C ATOM 0 H ALA A 2 -11.166 4.846 14.229 1.00 5.41 H new ATOM 0 HA ALA A 2 -9.819 7.438 14.997 1.00 4.78 H new ATOM 0 HB1 ALA A 2 -8.816 6.109 16.869 1.00 5.00 H new ATOM 0 HB2 ALA A 2 -10.589 6.121 17.017 1.00 5.00 H new ATOM 0 HB3 ALA A 2 -9.760 4.686 16.367 1.00 5.00 H new ATOM 25 N PRO A 3 -7.668 6.652 14.040 1.00 3.56 N ATOM 26 CA PRO A 3 -6.490 6.275 13.219 1.00 2.78 C ATOM 27 C PRO A 3 -5.687 5.171 13.915 1.00 2.04 C ATOM 28 O PRO A 3 -5.258 5.319 15.042 1.00 2.31 O ATOM 29 CB PRO A 3 -5.680 7.565 13.136 1.00 3.38 C ATOM 30 CG PRO A 3 -6.076 8.350 14.347 1.00 4.09 C ATOM 31 CD PRO A 3 -7.491 7.962 14.686 1.00 4.30 C ATOM 0 HA PRO A 3 -6.759 5.885 12.238 1.00 2.78 H new ATOM 0 HB2 PRO A 3 -4.610 7.359 13.132 1.00 3.38 H new ATOM 0 HB3 PRO A 3 -5.903 8.113 12.220 1.00 3.38 H new ATOM 0 HG2 PRO A 3 -5.408 8.134 15.181 1.00 4.09 H new ATOM 0 HG3 PRO A 3 -6.007 9.420 14.151 1.00 4.09 H new ATOM 0 HD2 PRO A 3 -7.640 7.898 15.764 1.00 4.30 H new ATOM 0 HD3 PRO A 3 -8.206 8.693 14.308 1.00 4.30 H new ATOM 39 N GLU A 4 -5.482 4.065 13.253 1.00 1.37 N ATOM 40 CA GLU A 4 -4.708 2.955 13.880 1.00 1.14 C ATOM 41 C GLU A 4 -3.800 2.291 12.841 1.00 0.89 C ATOM 42 O GLU A 4 -3.879 2.573 11.662 1.00 1.30 O ATOM 43 CB GLU A 4 -5.764 1.968 14.378 1.00 1.67 C ATOM 44 CG GLU A 4 -5.472 1.600 15.834 1.00 2.39 C ATOM 45 CD GLU A 4 -4.289 0.632 15.887 1.00 2.65 C ATOM 46 OE1 GLU A 4 -3.266 0.944 15.300 1.00 3.05 O ATOM 47 OE2 GLU A 4 -4.425 -0.407 16.514 1.00 3.09 O ATOM 0 H GLU A 4 -5.816 3.882 12.307 1.00 1.37 H new ATOM 0 HA GLU A 4 -4.064 3.305 14.687 1.00 1.14 H new ATOM 0 HB2 GLU A 4 -6.757 2.409 14.295 1.00 1.67 H new ATOM 0 HB3 GLU A 4 -5.761 1.072 13.758 1.00 1.67 H new ATOM 0 HG2 GLU A 4 -5.247 2.498 16.409 1.00 2.39 H new ATOM 0 HG3 GLU A 4 -6.351 1.142 16.288 1.00 2.39 H new ATOM 54 N GLU A 5 -2.939 1.411 13.272 1.00 1.00 N ATOM 55 CA GLU A 5 -2.026 0.728 12.308 1.00 0.81 C ATOM 56 C GLU A 5 -2.240 -0.782 12.347 1.00 0.87 C ATOM 57 O GLU A 5 -3.053 -1.290 13.093 1.00 1.15 O ATOM 58 CB GLU A 5 -0.607 1.069 12.769 1.00 0.95 C ATOM 59 CG GLU A 5 -0.445 0.734 14.255 1.00 1.46 C ATOM 60 CD GLU A 5 -0.342 2.031 15.062 1.00 1.82 C ATOM 61 OE1 GLU A 5 -1.136 2.924 14.815 1.00 2.50 O ATOM 62 OE2 GLU A 5 0.530 2.108 15.911 1.00 2.19 O ATOM 0 H GLU A 5 -2.827 1.135 14.247 1.00 1.00 H new ATOM 0 HA GLU A 5 -2.211 1.054 11.284 1.00 0.81 H new ATOM 0 HB2 GLU A 5 0.120 0.510 12.180 1.00 0.95 H new ATOM 0 HB3 GLU A 5 -0.406 2.127 12.602 1.00 0.95 H new ATOM 0 HG2 GLU A 5 -1.294 0.145 14.601 1.00 1.46 H new ATOM 0 HG3 GLU A 5 0.447 0.127 14.407 1.00 1.46 H new ATOM 69 N GLU A 6 -1.515 -1.496 11.540 1.00 0.79 N ATOM 70 CA GLU A 6 -1.666 -2.980 11.511 1.00 1.04 C ATOM 71 C GLU A 6 -0.298 -3.672 11.518 1.00 1.10 C ATOM 72 O GLU A 6 0.209 -4.072 10.492 1.00 1.76 O ATOM 73 CB GLU A 6 -2.401 -3.267 10.206 1.00 1.28 C ATOM 74 CG GLU A 6 -3.900 -3.397 10.484 1.00 1.68 C ATOM 75 CD GLU A 6 -4.154 -3.345 11.996 1.00 1.97 C ATOM 76 OE1 GLU A 6 -3.234 -3.003 12.722 1.00 2.24 O ATOM 77 OE2 GLU A 6 -5.264 -3.647 12.400 1.00 2.63 O ATOM 0 H GLU A 6 -0.821 -1.119 10.895 1.00 0.79 H new ATOM 0 HA GLU A 6 -2.203 -3.353 12.384 1.00 1.04 H new ATOM 0 HB2 GLU A 6 -2.221 -2.465 9.491 1.00 1.28 H new ATOM 0 HB3 GLU A 6 -2.022 -4.185 9.757 1.00 1.28 H new ATOM 0 HG2 GLU A 6 -4.443 -2.593 9.987 1.00 1.68 H new ATOM 0 HG3 GLU A 6 -4.275 -4.335 10.075 1.00 1.68 H new ATOM 84 N ASP A 7 0.296 -3.828 12.671 1.00 1.27 N ATOM 85 CA ASP A 7 1.625 -4.508 12.747 1.00 1.35 C ATOM 86 C ASP A 7 2.642 -3.831 11.821 1.00 1.28 C ATOM 87 O ASP A 7 2.884 -4.274 10.716 1.00 2.01 O ATOM 88 CB ASP A 7 1.363 -5.946 12.294 1.00 1.53 C ATOM 89 CG ASP A 7 1.647 -6.072 10.795 1.00 1.92 C ATOM 90 OD1 ASP A 7 2.294 -5.190 10.255 1.00 2.36 O ATOM 91 OD2 ASP A 7 1.211 -7.051 10.211 1.00 2.57 O ATOM 0 H ASP A 7 -0.081 -3.514 13.565 1.00 1.27 H new ATOM 0 HA ASP A 7 2.044 -4.462 13.752 1.00 1.35 H new ATOM 0 HB2 ASP A 7 1.996 -6.635 12.853 1.00 1.53 H new ATOM 0 HB3 ASP A 7 0.329 -6.221 12.503 1.00 1.53 H new ATOM 96 N HIS A 8 3.243 -2.760 12.271 1.00 1.21 N ATOM 97 CA HIS A 8 4.256 -2.046 11.433 1.00 1.11 C ATOM 98 C HIS A 8 3.658 -1.613 10.088 1.00 0.81 C ATOM 99 O HIS A 8 4.373 -1.276 9.165 1.00 0.87 O ATOM 100 CB HIS A 8 5.385 -3.057 11.218 1.00 1.32 C ATOM 101 CG HIS A 8 6.698 -2.432 11.604 1.00 1.61 C ATOM 102 ND1 HIS A 8 7.838 -3.186 11.838 1.00 2.30 N ATOM 103 CD2 HIS A 8 7.067 -1.124 11.807 1.00 2.02 C ATOM 104 CE1 HIS A 8 8.828 -2.335 12.163 1.00 2.53 C ATOM 105 NE2 HIS A 8 8.412 -1.066 12.159 1.00 2.33 N ATOM 0 H HIS A 8 3.075 -2.346 13.188 1.00 1.21 H new ATOM 0 HA HIS A 8 4.606 -1.136 11.919 1.00 1.11 H new ATOM 0 HB2 HIS A 8 5.206 -3.951 11.816 1.00 1.32 H new ATOM 0 HB3 HIS A 8 5.412 -3.371 10.175 1.00 1.32 H new ATOM 0 HD2 HIS A 8 6.413 -0.271 11.708 1.00 2.02 H new ATOM 0 HE1 HIS A 8 9.837 -2.641 12.399 1.00 2.53 H new ATOM 0 HE2 HIS A 8 8.962 -0.233 12.369 1.00 2.33 H new ATOM 113 N VAL A 9 2.357 -1.603 9.970 1.00 0.69 N ATOM 114 CA VAL A 9 1.722 -1.179 8.688 1.00 0.49 C ATOM 115 C VAL A 9 0.526 -0.281 8.998 1.00 0.41 C ATOM 116 O VAL A 9 0.108 -0.175 10.132 1.00 0.54 O ATOM 117 CB VAL A 9 1.273 -2.476 8.014 1.00 0.68 C ATOM 118 CG1 VAL A 9 0.614 -2.161 6.670 1.00 0.88 C ATOM 119 CG2 VAL A 9 2.489 -3.372 7.779 1.00 0.89 C ATOM 0 H VAL A 9 1.705 -1.871 10.708 1.00 0.69 H new ATOM 0 HA VAL A 9 2.397 -0.615 8.044 1.00 0.49 H new ATOM 0 HB VAL A 9 0.556 -2.986 8.658 1.00 0.68 H new ATOM 0 HG11 VAL A 9 0.296 -3.089 6.194 1.00 0.88 H new ATOM 0 HG12 VAL A 9 -0.253 -1.520 6.831 1.00 0.88 H new ATOM 0 HG13 VAL A 9 1.329 -1.649 6.025 1.00 0.88 H new ATOM 0 HG21 VAL A 9 2.172 -4.297 7.299 1.00 0.89 H new ATOM 0 HG22 VAL A 9 3.203 -2.856 7.137 1.00 0.89 H new ATOM 0 HG23 VAL A 9 2.961 -3.602 8.734 1.00 0.89 H new ATOM 129 N LEU A 10 -0.023 0.382 8.018 1.00 0.41 N ATOM 130 CA LEU A 10 -1.175 1.277 8.305 1.00 0.54 C ATOM 131 C LEU A 10 -2.457 0.783 7.651 1.00 0.42 C ATOM 132 O LEU A 10 -2.522 -0.274 7.053 1.00 0.59 O ATOM 133 CB LEU A 10 -0.789 2.626 7.709 1.00 0.83 C ATOM 134 CG LEU A 10 -0.591 3.644 8.831 1.00 0.96 C ATOM 135 CD1 LEU A 10 0.745 4.360 8.629 1.00 1.49 C ATOM 136 CD2 LEU A 10 -1.732 4.662 8.800 1.00 1.30 C ATOM 0 H LEU A 10 0.273 0.343 7.043 1.00 0.41 H new ATOM 0 HA LEU A 10 -1.371 1.321 9.376 1.00 0.54 H new ATOM 0 HB2 LEU A 10 0.127 2.529 7.127 1.00 0.83 H new ATOM 0 HB3 LEU A 10 -1.566 2.969 7.026 1.00 0.83 H new ATOM 0 HG LEU A 10 -0.589 3.136 9.795 1.00 0.96 H new ATOM 0 HD11 LEU A 10 0.892 5.088 9.427 1.00 1.49 H new ATOM 0 HD12 LEU A 10 1.555 3.631 8.649 1.00 1.49 H new ATOM 0 HD13 LEU A 10 0.742 4.872 7.667 1.00 1.49 H new ATOM 0 HD21 LEU A 10 -1.593 5.389 9.600 1.00 1.30 H new ATOM 0 HD22 LEU A 10 -1.735 5.176 7.839 1.00 1.30 H new ATOM 0 HD23 LEU A 10 -2.683 4.147 8.939 1.00 1.30 H new ATOM 148 N VAL A 11 -3.470 1.580 7.768 1.00 0.54 N ATOM 149 CA VAL A 11 -4.795 1.256 7.174 1.00 0.46 C ATOM 150 C VAL A 11 -5.509 2.568 6.843 1.00 0.43 C ATOM 151 O VAL A 11 -5.440 3.518 7.598 1.00 0.54 O ATOM 152 CB VAL A 11 -5.545 0.482 8.261 1.00 0.61 C ATOM 153 CG1 VAL A 11 -5.597 1.319 9.541 1.00 1.39 C ATOM 154 CG2 VAL A 11 -6.969 0.186 7.786 1.00 1.04 C ATOM 0 H VAL A 11 -3.438 2.470 8.265 1.00 0.54 H new ATOM 0 HA VAL A 11 -4.727 0.671 6.257 1.00 0.46 H new ATOM 0 HB VAL A 11 -5.027 -0.456 8.462 1.00 0.61 H new ATOM 0 HG11 VAL A 11 -6.131 0.768 10.315 1.00 1.39 H new ATOM 0 HG12 VAL A 11 -4.583 1.529 9.880 1.00 1.39 H new ATOM 0 HG13 VAL A 11 -6.114 2.257 9.341 1.00 1.39 H new ATOM 0 HG21 VAL A 11 -7.503 -0.365 8.560 1.00 1.04 H new ATOM 0 HG22 VAL A 11 -7.488 1.123 7.584 1.00 1.04 H new ATOM 0 HG23 VAL A 11 -6.932 -0.411 6.875 1.00 1.04 H new ATOM 164 N LEU A 12 -6.172 2.648 5.724 1.00 0.40 N ATOM 165 CA LEU A 12 -6.853 3.927 5.370 1.00 0.45 C ATOM 166 C LEU A 12 -8.371 3.786 5.437 1.00 0.44 C ATOM 167 O LEU A 12 -8.906 2.710 5.612 1.00 0.58 O ATOM 168 CB LEU A 12 -6.407 4.234 3.942 1.00 0.63 C ATOM 169 CG LEU A 12 -4.886 4.379 3.912 1.00 0.76 C ATOM 170 CD1 LEU A 12 -4.432 4.700 2.487 1.00 1.16 C ATOM 171 CD2 LEU A 12 -4.463 5.510 4.850 1.00 0.82 C ATOM 0 H LEU A 12 -6.272 1.893 5.045 1.00 0.40 H new ATOM 0 HA LEU A 12 -6.591 4.724 6.066 1.00 0.45 H new ATOM 0 HB2 LEU A 12 -6.722 3.435 3.270 1.00 0.63 H new ATOM 0 HB3 LEU A 12 -6.879 5.151 3.590 1.00 0.63 H new ATOM 0 HG LEU A 12 -4.426 3.446 4.238 1.00 0.76 H new ATOM 0 HD11 LEU A 12 -3.347 4.803 2.465 1.00 1.16 H new ATOM 0 HD12 LEU A 12 -4.733 3.893 1.819 1.00 1.16 H new ATOM 0 HD13 LEU A 12 -4.892 5.632 2.160 1.00 1.16 H new ATOM 0 HD21 LEU A 12 -3.378 5.614 4.829 1.00 0.82 H new ATOM 0 HD22 LEU A 12 -4.923 6.443 4.525 1.00 0.82 H new ATOM 0 HD23 LEU A 12 -4.786 5.280 5.865 1.00 0.82 H new ATOM 183 N ARG A 13 -9.062 4.881 5.299 1.00 0.47 N ATOM 184 CA ARG A 13 -10.549 4.847 5.350 1.00 0.55 C ATOM 185 C ARG A 13 -11.120 5.887 4.386 1.00 0.54 C ATOM 186 O ARG A 13 -10.504 6.237 3.400 1.00 0.73 O ATOM 187 CB ARG A 13 -10.903 5.204 6.794 1.00 0.69 C ATOM 188 CG ARG A 13 -11.971 4.240 7.314 1.00 1.19 C ATOM 189 CD ARG A 13 -11.873 4.145 8.838 1.00 1.28 C ATOM 190 NE ARG A 13 -12.727 5.256 9.344 1.00 1.86 N ATOM 191 CZ ARG A 13 -12.222 6.156 10.143 1.00 2.30 C ATOM 192 NH1 ARG A 13 -11.448 5.794 11.130 1.00 2.84 N ATOM 193 NH2 ARG A 13 -12.491 7.419 9.955 1.00 2.68 N ATOM 0 H ARG A 13 -8.657 5.806 5.152 1.00 0.47 H new ATOM 0 HA ARG A 13 -10.957 3.878 5.061 1.00 0.55 H new ATOM 0 HB2 ARG A 13 -10.013 5.150 7.421 1.00 0.69 H new ATOM 0 HB3 ARG A 13 -11.268 6.230 6.847 1.00 0.69 H new ATOM 0 HG2 ARG A 13 -12.962 4.588 7.024 1.00 1.19 H new ATOM 0 HG3 ARG A 13 -11.835 3.255 6.868 1.00 1.19 H new ATOM 0 HD2 ARG A 13 -12.227 3.179 9.198 1.00 1.28 H new ATOM 0 HD3 ARG A 13 -10.842 4.253 9.176 1.00 1.28 H new ATOM 0 HE ARG A 13 -13.707 5.313 9.066 1.00 1.86 H new ATOM 0 HH11 ARG A 13 -11.237 4.807 11.277 1.00 2.84 H new ATOM 0 HH12 ARG A 13 -11.054 6.498 11.754 1.00 2.84 H new ATOM 0 HH21 ARG A 13 -13.096 7.702 9.184 1.00 2.68 H new ATOM 0 HH22 ARG A 13 -12.097 8.123 10.579 1.00 2.68 H new ATOM 207 N LYS A 14 -12.290 6.385 4.664 1.00 0.58 N ATOM 208 CA LYS A 14 -12.898 7.406 3.762 1.00 0.63 C ATOM 209 C LYS A 14 -12.611 8.824 4.275 1.00 0.65 C ATOM 210 O LYS A 14 -12.829 9.797 3.581 1.00 0.83 O ATOM 211 CB LYS A 14 -14.398 7.120 3.806 1.00 0.74 C ATOM 212 CG LYS A 14 -14.885 6.708 2.415 1.00 1.26 C ATOM 213 CD LYS A 14 -15.928 7.713 1.921 1.00 1.92 C ATOM 214 CE LYS A 14 -15.220 8.933 1.325 1.00 2.26 C ATOM 215 NZ LYS A 14 -15.038 8.607 -0.119 1.00 2.80 N ATOM 0 H LYS A 14 -12.853 6.131 5.476 1.00 0.58 H new ATOM 0 HA LYS A 14 -12.493 7.351 2.751 1.00 0.63 H new ATOM 0 HB2 LYS A 14 -14.606 6.327 4.524 1.00 0.74 H new ATOM 0 HB3 LYS A 14 -14.937 8.005 4.143 1.00 0.74 H new ATOM 0 HG2 LYS A 14 -14.045 6.668 1.721 1.00 1.26 H new ATOM 0 HG3 LYS A 14 -15.317 5.708 2.451 1.00 1.26 H new ATOM 0 HD2 LYS A 14 -16.569 7.249 1.171 1.00 1.92 H new ATOM 0 HD3 LYS A 14 -16.572 8.020 2.745 1.00 1.92 H new ATOM 0 HE2 LYS A 14 -15.816 9.837 1.453 1.00 2.26 H new ATOM 0 HE3 LYS A 14 -14.262 9.111 1.813 1.00 2.26 H new ATOM 0 HZ1 LYS A 14 -14.543 9.390 -0.592 1.00 2.80 H new ATOM 0 HZ2 LYS A 14 -14.476 7.737 -0.210 1.00 2.80 H new ATOM 0 HZ3 LYS A 14 -15.968 8.467 -0.563 1.00 2.80 H new ATOM 229 N SER A 15 -12.136 8.951 5.485 1.00 0.68 N ATOM 230 CA SER A 15 -11.854 10.313 6.030 1.00 0.88 C ATOM 231 C SER A 15 -10.363 10.489 6.353 1.00 0.81 C ATOM 232 O SER A 15 -9.959 11.504 6.885 1.00 1.05 O ATOM 233 CB SER A 15 -12.687 10.402 7.309 1.00 1.10 C ATOM 234 OG SER A 15 -13.362 11.650 7.348 1.00 1.68 O ATOM 0 H SER A 15 -11.932 8.177 6.117 1.00 0.68 H new ATOM 0 HA SER A 15 -12.104 11.093 5.310 1.00 0.88 H new ATOM 0 HB2 SER A 15 -13.408 9.585 7.344 1.00 1.10 H new ATOM 0 HB3 SER A 15 -12.044 10.297 8.183 1.00 1.10 H new ATOM 0 HG SER A 15 -13.897 11.707 8.167 1.00 1.68 H new ATOM 240 N ASN A 16 -9.537 9.522 6.043 1.00 0.65 N ATOM 241 CA ASN A 16 -8.083 9.673 6.349 1.00 0.68 C ATOM 242 C ASN A 16 -7.219 9.102 5.217 1.00 0.55 C ATOM 243 O ASN A 16 -6.020 8.953 5.358 1.00 0.56 O ATOM 244 CB ASN A 16 -7.866 8.889 7.645 1.00 0.87 C ATOM 245 CG ASN A 16 -8.154 7.405 7.406 1.00 0.91 C ATOM 246 OD1 ASN A 16 -8.973 7.059 6.578 1.00 1.74 O ATOM 247 ND2 ASN A 16 -7.512 6.509 8.105 1.00 0.98 N ATOM 0 H ASN A 16 -9.803 8.644 5.596 1.00 0.65 H new ATOM 0 HA ASN A 16 -7.798 10.720 6.451 1.00 0.68 H new ATOM 0 HB2 ASN A 16 -6.841 9.019 7.992 1.00 0.87 H new ATOM 0 HB3 ASN A 16 -8.519 9.274 8.428 1.00 0.87 H new ATOM 0 HD21 ASN A 16 -7.698 5.517 7.956 1.00 0.98 H new ATOM 0 HD22 ASN A 16 -6.825 6.801 8.800 1.00 0.98 H new ATOM 254 N PHE A 17 -7.808 8.789 4.094 1.00 0.55 N ATOM 255 CA PHE A 17 -7.004 8.237 2.965 1.00 0.51 C ATOM 256 C PHE A 17 -6.021 9.292 2.453 1.00 0.46 C ATOM 257 O PHE A 17 -4.820 9.116 2.508 1.00 0.52 O ATOM 258 CB PHE A 17 -8.023 7.893 1.880 1.00 0.56 C ATOM 259 CG PHE A 17 -7.318 7.218 0.728 1.00 0.62 C ATOM 260 CD1 PHE A 17 -6.551 7.978 -0.164 1.00 0.79 C ATOM 261 CD2 PHE A 17 -7.429 5.833 0.552 1.00 0.78 C ATOM 262 CE1 PHE A 17 -5.894 7.352 -1.231 1.00 0.90 C ATOM 263 CE2 PHE A 17 -6.772 5.209 -0.515 1.00 0.89 C ATOM 264 CZ PHE A 17 -6.005 5.968 -1.406 1.00 0.87 C ATOM 0 H PHE A 17 -8.806 8.891 3.910 1.00 0.55 H new ATOM 0 HA PHE A 17 -6.417 7.369 3.265 1.00 0.51 H new ATOM 0 HB2 PHE A 17 -8.794 7.237 2.284 1.00 0.56 H new ATOM 0 HB3 PHE A 17 -8.523 8.798 1.535 1.00 0.56 H new ATOM 0 HD1 PHE A 17 -6.466 9.046 -0.029 1.00 0.79 H new ATOM 0 HD2 PHE A 17 -8.021 5.247 1.239 1.00 0.78 H new ATOM 0 HE1 PHE A 17 -5.302 7.937 -1.919 1.00 0.90 H new ATOM 0 HE2 PHE A 17 -6.857 4.141 -0.651 1.00 0.89 H new ATOM 0 HZ PHE A 17 -5.499 5.486 -2.229 1.00 0.87 H new ATOM 274 N ALA A 18 -6.523 10.388 1.956 1.00 0.52 N ATOM 275 CA ALA A 18 -5.621 11.458 1.438 1.00 0.66 C ATOM 276 C ALA A 18 -4.653 11.901 2.536 1.00 0.59 C ATOM 277 O ALA A 18 -3.534 12.296 2.272 1.00 0.75 O ATOM 278 CB ALA A 18 -6.550 12.606 1.044 1.00 0.84 C ATOM 0 H ALA A 18 -7.520 10.590 1.885 1.00 0.52 H new ATOM 0 HA ALA A 18 -5.017 11.120 0.596 1.00 0.66 H new ATOM 0 HB1 ALA A 18 -5.959 13.434 0.652 1.00 0.84 H new ATOM 0 HB2 ALA A 18 -7.247 12.264 0.279 1.00 0.84 H new ATOM 0 HB3 ALA A 18 -7.107 12.940 1.919 1.00 0.84 H new ATOM 284 N GLU A 19 -5.076 11.834 3.768 1.00 0.46 N ATOM 285 CA GLU A 19 -4.183 12.246 4.888 1.00 0.49 C ATOM 286 C GLU A 19 -2.888 11.435 4.852 1.00 0.48 C ATOM 287 O GLU A 19 -1.800 11.977 4.876 1.00 0.56 O ATOM 288 CB GLU A 19 -4.972 11.925 6.154 1.00 0.55 C ATOM 289 CG GLU A 19 -4.287 12.572 7.358 1.00 0.69 C ATOM 290 CD GLU A 19 -5.312 12.797 8.470 1.00 1.04 C ATOM 291 OE1 GLU A 19 -6.445 13.117 8.150 1.00 1.78 O ATOM 292 OE2 GLU A 19 -4.948 12.645 9.625 1.00 1.66 O ATOM 0 H GLU A 19 -6.002 11.511 4.048 1.00 0.46 H new ATOM 0 HA GLU A 19 -3.905 13.298 4.831 1.00 0.49 H new ATOM 0 HB2 GLU A 19 -5.994 12.293 6.062 1.00 0.55 H new ATOM 0 HB3 GLU A 19 -5.033 10.846 6.293 1.00 0.55 H new ATOM 0 HG2 GLU A 19 -3.480 11.933 7.717 1.00 0.69 H new ATOM 0 HG3 GLU A 19 -3.837 13.521 7.067 1.00 0.69 H new ATOM 299 N ALA A 20 -3.001 10.137 4.797 1.00 0.45 N ATOM 300 CA ALA A 20 -1.782 9.278 4.762 1.00 0.53 C ATOM 301 C ALA A 20 -0.842 9.736 3.647 1.00 0.57 C ATOM 302 O ALA A 20 0.358 9.816 3.825 1.00 0.71 O ATOM 303 CB ALA A 20 -2.300 7.868 4.482 1.00 0.57 C ATOM 0 H ALA A 20 -3.887 9.632 4.775 1.00 0.45 H new ATOM 0 HA ALA A 20 -1.216 9.327 5.692 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -1.461 7.174 4.441 1.00 0.57 H new ATOM 0 HB2 ALA A 20 -2.982 7.566 5.277 1.00 0.57 H new ATOM 0 HB3 ALA A 20 -2.827 7.857 3.528 1.00 0.57 H new ATOM 309 N LEU A 21 -1.376 10.041 2.500 1.00 0.55 N ATOM 310 CA LEU A 21 -0.513 10.498 1.376 1.00 0.69 C ATOM 311 C LEU A 21 0.234 11.769 1.776 1.00 0.75 C ATOM 312 O LEU A 21 1.418 11.910 1.544 1.00 0.92 O ATOM 313 CB LEU A 21 -1.480 10.779 0.223 1.00 0.74 C ATOM 314 CG LEU A 21 -2.245 9.500 -0.145 1.00 0.84 C ATOM 315 CD1 LEU A 21 -3.083 9.750 -1.398 1.00 0.90 C ATOM 316 CD2 LEU A 21 -1.262 8.361 -0.423 1.00 1.44 C ATOM 0 H LEU A 21 -2.373 9.994 2.291 1.00 0.55 H new ATOM 0 HA LEU A 21 0.240 9.759 1.101 1.00 0.69 H new ATOM 0 HB2 LEU A 21 -2.182 11.563 0.509 1.00 0.74 H new ATOM 0 HB3 LEU A 21 -0.929 11.145 -0.643 1.00 0.74 H new ATOM 0 HG LEU A 21 -2.892 9.224 0.688 1.00 0.84 H new ATOM 0 HD11 LEU A 21 -3.626 8.842 -1.660 1.00 0.90 H new ATOM 0 HD12 LEU A 21 -3.793 10.555 -1.207 1.00 0.90 H new ATOM 0 HD13 LEU A 21 -2.429 10.032 -2.223 1.00 0.90 H new ATOM 0 HD21 LEU A 21 -1.815 7.458 -0.683 1.00 1.44 H new ATOM 0 HD22 LEU A 21 -0.609 8.638 -1.251 1.00 1.44 H new ATOM 0 HD23 LEU A 21 -0.660 8.174 0.467 1.00 1.44 H new ATOM 328 N ALA A 22 -0.453 12.694 2.381 1.00 0.71 N ATOM 329 CA ALA A 22 0.206 13.962 2.806 1.00 0.85 C ATOM 330 C ALA A 22 1.190 13.695 3.952 1.00 0.89 C ATOM 331 O ALA A 22 2.049 14.505 4.240 1.00 1.08 O ATOM 332 CB ALA A 22 -0.936 14.861 3.278 1.00 1.00 C ATOM 0 H ALA A 22 -1.447 12.628 2.601 1.00 0.71 H new ATOM 0 HA ALA A 22 0.779 14.419 1.999 1.00 0.85 H new ATOM 0 HB1 ALA A 22 -0.533 15.818 3.609 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -1.633 15.025 2.456 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -1.458 14.382 4.106 1.00 1.00 H new ATOM 338 N ALA A 23 1.077 12.569 4.607 1.00 0.86 N ATOM 339 CA ALA A 23 2.016 12.267 5.727 1.00 0.93 C ATOM 340 C ALA A 23 3.458 12.301 5.219 1.00 0.85 C ATOM 341 O ALA A 23 4.240 13.153 5.592 1.00 0.95 O ATOM 342 CB ALA A 23 1.644 10.859 6.193 1.00 1.05 C ATOM 0 H ALA A 23 0.380 11.850 4.416 1.00 0.86 H new ATOM 0 HA ALA A 23 1.943 12.992 6.537 1.00 0.93 H new ATOM 0 HB1 ALA A 23 2.293 10.565 7.018 1.00 1.05 H new ATOM 0 HB2 ALA A 23 0.606 10.848 6.526 1.00 1.05 H new ATOM 0 HB3 ALA A 23 1.767 10.158 5.367 1.00 1.05 H new ATOM 348 N HIS A 24 3.814 11.383 4.363 1.00 0.83 N ATOM 349 CA HIS A 24 5.201 11.362 3.819 1.00 0.84 C ATOM 350 C HIS A 24 5.160 11.476 2.294 1.00 0.82 C ATOM 351 O HIS A 24 4.155 11.842 1.719 1.00 1.30 O ATOM 352 CB HIS A 24 5.777 10.011 4.244 1.00 0.95 C ATOM 353 CG HIS A 24 7.040 10.228 5.031 1.00 1.22 C ATOM 354 ND1 HIS A 24 8.041 11.085 4.601 1.00 1.80 N ATOM 355 CD2 HIS A 24 7.480 9.706 6.222 1.00 1.84 C ATOM 356 CE1 HIS A 24 9.024 11.053 5.519 1.00 2.04 C ATOM 357 NE2 HIS A 24 8.734 10.228 6.528 1.00 2.00 N ATOM 0 H HIS A 24 3.202 10.644 4.016 1.00 0.83 H new ATOM 0 HA HIS A 24 5.806 12.190 4.188 1.00 0.84 H new ATOM 0 HB2 HIS A 24 5.050 9.467 4.847 1.00 0.95 H new ATOM 0 HB3 HIS A 24 5.984 9.400 3.366 1.00 0.95 H new ATOM 0 HD2 HIS A 24 6.936 8.998 6.829 1.00 1.84 H new ATOM 0 HE1 HIS A 24 9.937 11.625 5.448 1.00 2.04 H new ATOM 0 HE2 HIS A 24 9.307 10.024 7.347 1.00 2.00 H new ATOM 365 N LYS A 25 6.239 11.164 1.633 1.00 0.72 N ATOM 366 CA LYS A 25 6.246 11.256 0.144 1.00 0.69 C ATOM 367 C LYS A 25 5.662 9.981 -0.468 1.00 0.59 C ATOM 368 O LYS A 25 4.622 10.005 -1.095 1.00 0.68 O ATOM 369 CB LYS A 25 7.716 11.412 -0.240 1.00 0.81 C ATOM 370 CG LYS A 25 7.865 12.586 -1.211 1.00 1.20 C ATOM 371 CD LYS A 25 9.350 12.888 -1.425 1.00 1.51 C ATOM 372 CE LYS A 25 9.972 11.791 -2.290 1.00 2.06 C ATOM 373 NZ LYS A 25 11.362 11.641 -1.776 1.00 2.47 N ATOM 0 H LYS A 25 7.113 10.851 2.055 1.00 0.72 H new ATOM 0 HA LYS A 25 5.642 12.087 -0.220 1.00 0.69 H new ATOM 0 HB2 LYS A 25 8.320 11.584 0.651 1.00 0.81 H new ATOM 0 HB3 LYS A 25 8.082 10.495 -0.702 1.00 0.81 H new ATOM 0 HG2 LYS A 25 7.391 12.346 -2.163 1.00 1.20 H new ATOM 0 HG3 LYS A 25 7.358 13.466 -0.815 1.00 1.20 H new ATOM 0 HD2 LYS A 25 9.469 13.858 -1.907 1.00 1.51 H new ATOM 0 HD3 LYS A 25 9.863 12.944 -0.465 1.00 1.51 H new ATOM 0 HE2 LYS A 25 9.416 10.857 -2.204 1.00 2.06 H new ATOM 0 HE3 LYS A 25 9.968 12.069 -3.344 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 11.877 10.954 -2.363 1.00 2.47 H new ATOM 0 HZ2 LYS A 25 11.847 12.560 -1.813 1.00 2.47 H new ATOM 0 HZ3 LYS A 25 11.334 11.304 -0.792 1.00 2.47 H new ATOM 387 N TYR A 26 6.322 8.869 -0.296 1.00 0.52 N ATOM 388 CA TYR A 26 5.805 7.595 -0.874 1.00 0.48 C ATOM 389 C TYR A 26 4.766 6.963 0.057 1.00 0.46 C ATOM 390 O TYR A 26 5.015 6.742 1.225 1.00 0.53 O ATOM 391 CB TYR A 26 7.036 6.693 -1.000 1.00 0.56 C ATOM 392 CG TYR A 26 7.659 6.855 -2.370 1.00 0.65 C ATOM 393 CD1 TYR A 26 7.716 8.118 -2.978 1.00 1.08 C ATOM 394 CD2 TYR A 26 8.183 5.738 -3.033 1.00 0.75 C ATOM 395 CE1 TYR A 26 8.294 8.261 -4.243 1.00 1.31 C ATOM 396 CE2 TYR A 26 8.761 5.882 -4.300 1.00 0.87 C ATOM 397 CZ TYR A 26 8.817 7.144 -4.904 1.00 1.08 C ATOM 398 OH TYR A 26 9.388 7.285 -6.153 1.00 1.33 O ATOM 0 H TYR A 26 7.198 8.787 0.220 1.00 0.52 H new ATOM 0 HA TYR A 26 5.309 7.750 -1.832 1.00 0.48 H new ATOM 0 HB2 TYR A 26 7.763 6.946 -0.229 1.00 0.56 H new ATOM 0 HB3 TYR A 26 6.752 5.653 -0.841 1.00 0.56 H new ATOM 0 HD1 TYR A 26 7.313 8.981 -2.468 1.00 1.08 H new ATOM 0 HD2 TYR A 26 8.141 4.765 -2.566 1.00 0.75 H new ATOM 0 HE1 TYR A 26 8.337 9.234 -4.710 1.00 1.31 H new ATOM 0 HE2 TYR A 26 9.164 5.020 -4.811 1.00 0.87 H new ATOM 0 HH TYR A 26 9.702 6.412 -6.469 1.00 1.33 H new ATOM 408 N LEU A 27 3.606 6.665 -0.460 1.00 0.46 N ATOM 409 CA LEU A 27 2.546 6.039 0.381 1.00 0.45 C ATOM 410 C LEU A 27 1.926 4.861 -0.374 1.00 0.40 C ATOM 411 O LEU A 27 1.441 5.010 -1.477 1.00 0.50 O ATOM 412 CB LEU A 27 1.509 7.142 0.595 1.00 0.51 C ATOM 413 CG LEU A 27 1.169 7.262 2.085 1.00 0.77 C ATOM 414 CD1 LEU A 27 0.529 5.962 2.574 1.00 1.93 C ATOM 415 CD2 LEU A 27 2.446 7.533 2.884 1.00 0.66 C ATOM 0 H LEU A 27 3.345 6.829 -1.432 1.00 0.46 H new ATOM 0 HA LEU A 27 2.930 5.656 1.327 1.00 0.45 H new ATOM 0 HB2 LEU A 27 1.895 8.092 0.224 1.00 0.51 H new ATOM 0 HB3 LEU A 27 0.607 6.920 0.025 1.00 0.51 H new ATOM 0 HG LEU A 27 0.470 8.086 2.228 1.00 0.77 H new ATOM 0 HD11 LEU A 27 0.289 6.051 3.633 1.00 1.93 H new ATOM 0 HD12 LEU A 27 -0.384 5.771 2.010 1.00 1.93 H new ATOM 0 HD13 LEU A 27 1.225 5.136 2.428 1.00 1.93 H new ATOM 0 HD21 LEU A 27 2.202 7.618 3.943 1.00 0.66 H new ATOM 0 HD22 LEU A 27 3.148 6.712 2.738 1.00 0.66 H new ATOM 0 HD23 LEU A 27 2.900 8.463 2.541 1.00 0.66 H new ATOM 427 N LEU A 28 1.942 3.689 0.201 1.00 0.33 N ATOM 428 CA LEU A 28 1.359 2.516 -0.509 1.00 0.32 C ATOM 429 C LEU A 28 0.015 2.125 0.109 1.00 0.29 C ATOM 430 O LEU A 28 -0.138 2.071 1.314 1.00 0.35 O ATOM 431 CB LEU A 28 2.387 1.393 -0.332 1.00 0.40 C ATOM 432 CG LEU A 28 2.147 0.278 -1.362 1.00 0.53 C ATOM 433 CD1 LEU A 28 0.816 -0.418 -1.069 1.00 1.12 C ATOM 434 CD2 LEU A 28 2.117 0.865 -2.776 1.00 0.73 C ATOM 0 H LEU A 28 2.330 3.494 1.124 1.00 0.33 H new ATOM 0 HA LEU A 28 1.165 2.728 -1.560 1.00 0.32 H new ATOM 0 HB2 LEU A 28 3.395 1.792 -0.448 1.00 0.40 H new ATOM 0 HB3 LEU A 28 2.319 0.985 0.677 1.00 0.40 H new ATOM 0 HG LEU A 28 2.959 -0.446 -1.294 1.00 0.53 H new ATOM 0 HD11 LEU A 28 0.649 -1.208 -1.801 1.00 1.12 H new ATOM 0 HD12 LEU A 28 0.844 -0.851 -0.069 1.00 1.12 H new ATOM 0 HD13 LEU A 28 0.005 0.308 -1.128 1.00 1.12 H new ATOM 0 HD21 LEU A 28 1.946 0.066 -3.498 1.00 0.73 H new ATOM 0 HD22 LEU A 28 1.313 1.598 -2.849 1.00 0.73 H new ATOM 0 HD23 LEU A 28 3.070 1.349 -2.989 1.00 0.73 H new ATOM 446 N VAL A 29 -0.958 1.852 -0.714 1.00 0.32 N ATOM 447 CA VAL A 29 -2.297 1.463 -0.189 1.00 0.32 C ATOM 448 C VAL A 29 -2.791 0.196 -0.892 1.00 0.34 C ATOM 449 O VAL A 29 -2.548 -0.008 -2.064 1.00 0.47 O ATOM 450 CB VAL A 29 -3.206 2.647 -0.515 1.00 0.40 C ATOM 451 CG1 VAL A 29 -4.591 2.401 0.085 1.00 0.37 C ATOM 452 CG2 VAL A 29 -2.612 3.928 0.077 1.00 0.77 C ATOM 0 H VAL A 29 -0.884 1.881 -1.731 1.00 0.32 H new ATOM 0 HA VAL A 29 -2.277 1.246 0.879 1.00 0.32 H new ATOM 0 HB VAL A 29 -3.290 2.755 -1.596 1.00 0.40 H new ATOM 0 HG11 VAL A 29 -5.242 3.244 -0.146 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -5.014 1.489 -0.337 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -4.505 2.294 1.166 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -3.261 4.772 -0.156 1.00 0.77 H new ATOM 0 HG22 VAL A 29 -2.527 3.824 1.159 1.00 0.77 H new ATOM 0 HG23 VAL A 29 -1.624 4.102 -0.349 1.00 0.77 H new ATOM 462 N GLU A 30 -3.480 -0.658 -0.185 1.00 0.32 N ATOM 463 CA GLU A 30 -3.985 -1.910 -0.818 1.00 0.39 C ATOM 464 C GLU A 30 -5.478 -2.093 -0.523 1.00 0.36 C ATOM 465 O GLU A 30 -5.914 -1.999 0.608 1.00 0.42 O ATOM 466 CB GLU A 30 -3.166 -3.033 -0.176 1.00 0.52 C ATOM 467 CG GLU A 30 -3.700 -4.392 -0.638 1.00 0.64 C ATOM 468 CD GLU A 30 -2.650 -5.470 -0.365 1.00 0.89 C ATOM 469 OE1 GLU A 30 -2.070 -5.446 0.707 1.00 1.60 O ATOM 470 OE2 GLU A 30 -2.444 -6.302 -1.234 1.00 1.48 O ATOM 0 H GLU A 30 -3.715 -0.544 0.801 1.00 0.32 H new ATOM 0 HA GLU A 30 -3.880 -1.896 -1.903 1.00 0.39 H new ATOM 0 HB2 GLU A 30 -2.116 -2.932 -0.450 1.00 0.52 H new ATOM 0 HB3 GLU A 30 -3.221 -2.960 0.910 1.00 0.52 H new ATOM 0 HG2 GLU A 30 -4.625 -4.629 -0.113 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -3.936 -4.360 -1.702 1.00 0.64 H new ATOM 477 N PHE A 31 -6.263 -2.359 -1.531 1.00 0.35 N ATOM 478 CA PHE A 31 -7.722 -2.552 -1.313 1.00 0.36 C ATOM 479 C PHE A 31 -8.056 -4.047 -1.280 1.00 0.39 C ATOM 480 O PHE A 31 -7.973 -4.729 -2.281 1.00 0.49 O ATOM 481 CB PHE A 31 -8.386 -1.891 -2.519 1.00 0.41 C ATOM 482 CG PHE A 31 -8.153 -0.400 -2.479 1.00 0.38 C ATOM 483 CD1 PHE A 31 -8.721 0.372 -1.460 1.00 0.53 C ATOM 484 CD2 PHE A 31 -7.368 0.209 -3.466 1.00 0.45 C ATOM 485 CE1 PHE A 31 -8.505 1.755 -1.427 1.00 0.59 C ATOM 486 CE2 PHE A 31 -7.152 1.592 -3.433 1.00 0.52 C ATOM 487 CZ PHE A 31 -7.720 2.365 -2.413 1.00 0.53 C ATOM 0 H PHE A 31 -5.954 -2.451 -2.499 1.00 0.35 H new ATOM 0 HA PHE A 31 -8.060 -2.125 -0.369 1.00 0.36 H new ATOM 0 HB2 PHE A 31 -7.981 -2.307 -3.442 1.00 0.41 H new ATOM 0 HB3 PHE A 31 -9.456 -2.101 -2.517 1.00 0.41 H new ATOM 0 HD1 PHE A 31 -9.326 -0.099 -0.699 1.00 0.53 H new ATOM 0 HD2 PHE A 31 -6.930 -0.388 -4.252 1.00 0.45 H new ATOM 0 HE1 PHE A 31 -8.944 2.351 -0.641 1.00 0.59 H new ATOM 0 HE2 PHE A 31 -6.547 2.062 -4.194 1.00 0.52 H new ATOM 0 HZ PHE A 31 -7.553 3.432 -2.387 1.00 0.53 H new ATOM 497 N TYR A 32 -8.434 -4.563 -0.143 1.00 0.37 N ATOM 498 CA TYR A 32 -8.771 -6.015 -0.070 1.00 0.44 C ATOM 499 C TYR A 32 -10.007 -6.236 0.814 1.00 0.40 C ATOM 500 O TYR A 32 -10.468 -5.334 1.487 1.00 0.45 O ATOM 501 CB TYR A 32 -7.521 -6.688 0.523 1.00 0.54 C ATOM 502 CG TYR A 32 -7.417 -6.408 2.008 1.00 0.54 C ATOM 503 CD1 TYR A 32 -6.907 -5.185 2.460 1.00 0.58 C ATOM 504 CD2 TYR A 32 -7.839 -7.374 2.928 1.00 0.66 C ATOM 505 CE1 TYR A 32 -6.817 -4.931 3.835 1.00 0.67 C ATOM 506 CE2 TYR A 32 -7.751 -7.120 4.301 1.00 0.79 C ATOM 507 CZ TYR A 32 -7.239 -5.899 4.755 1.00 0.77 C ATOM 508 OH TYR A 32 -7.152 -5.649 6.110 1.00 0.94 O ATOM 0 H TYR A 32 -8.524 -4.048 0.733 1.00 0.37 H new ATOM 0 HA TYR A 32 -9.020 -6.434 -1.045 1.00 0.44 H new ATOM 0 HB2 TYR A 32 -7.565 -7.764 0.353 1.00 0.54 H new ATOM 0 HB3 TYR A 32 -6.629 -6.322 0.015 1.00 0.54 H new ATOM 0 HD1 TYR A 32 -6.583 -4.438 1.750 1.00 0.58 H new ATOM 0 HD2 TYR A 32 -8.233 -8.317 2.578 1.00 0.66 H new ATOM 0 HE1 TYR A 32 -6.422 -3.989 4.185 1.00 0.67 H new ATOM 0 HE2 TYR A 32 -8.078 -7.866 5.010 1.00 0.79 H new ATOM 0 HH TYR A 32 -7.488 -6.424 6.608 1.00 0.94 H new ATOM 518 N ALA A 33 -10.544 -7.427 0.824 1.00 0.40 N ATOM 519 CA ALA A 33 -11.741 -7.692 1.669 1.00 0.44 C ATOM 520 C ALA A 33 -11.416 -8.766 2.714 1.00 0.53 C ATOM 521 O ALA A 33 -10.491 -9.535 2.538 1.00 0.56 O ATOM 522 CB ALA A 33 -12.810 -8.194 0.700 1.00 0.49 C ATOM 0 H ALA A 33 -10.206 -8.224 0.285 1.00 0.40 H new ATOM 0 HA ALA A 33 -12.070 -6.805 2.211 1.00 0.44 H new ATOM 0 HB1 ALA A 33 -13.726 -8.412 1.250 1.00 0.49 H new ATOM 0 HB2 ALA A 33 -13.010 -7.428 -0.050 1.00 0.49 H new ATOM 0 HB3 ALA A 33 -12.458 -9.101 0.208 1.00 0.49 H new ATOM 528 N PRO A 34 -12.192 -8.796 3.767 1.00 0.63 N ATOM 529 CA PRO A 34 -11.973 -9.803 4.834 1.00 0.78 C ATOM 530 C PRO A 34 -12.329 -11.202 4.323 1.00 0.82 C ATOM 531 O PRO A 34 -11.936 -12.201 4.894 1.00 0.96 O ATOM 532 CB PRO A 34 -12.922 -9.364 5.946 1.00 0.90 C ATOM 533 CG PRO A 34 -13.990 -8.582 5.249 1.00 0.81 C ATOM 534 CD PRO A 34 -13.339 -7.922 4.063 1.00 0.66 C ATOM 0 HA PRO A 34 -10.937 -9.858 5.169 1.00 0.78 H new ATOM 0 HB2 PRO A 34 -13.340 -10.223 6.472 1.00 0.90 H new ATOM 0 HB3 PRO A 34 -12.407 -8.755 6.689 1.00 0.90 H new ATOM 0 HG2 PRO A 34 -14.802 -9.235 4.931 1.00 0.81 H new ATOM 0 HG3 PRO A 34 -14.423 -7.837 5.917 1.00 0.81 H new ATOM 0 HD2 PRO A 34 -14.022 -7.856 3.216 1.00 0.66 H new ATOM 0 HD3 PRO A 34 -13.020 -6.906 4.295 1.00 0.66 H new ATOM 542 N TRP A 35 -13.066 -11.285 3.247 1.00 0.74 N ATOM 543 CA TRP A 35 -13.438 -12.621 2.703 1.00 0.83 C ATOM 544 C TRP A 35 -12.586 -12.960 1.471 1.00 0.78 C ATOM 545 O TRP A 35 -12.648 -14.058 0.954 1.00 0.92 O ATOM 546 CB TRP A 35 -14.916 -12.507 2.326 1.00 0.91 C ATOM 547 CG TRP A 35 -15.094 -11.475 1.258 1.00 0.87 C ATOM 548 CD1 TRP A 35 -15.390 -10.173 1.477 1.00 0.84 C ATOM 549 CD2 TRP A 35 -15.000 -11.635 -0.187 1.00 1.25 C ATOM 550 NE1 TRP A 35 -15.481 -9.523 0.259 1.00 0.85 N ATOM 551 CE2 TRP A 35 -15.248 -10.382 -0.796 1.00 1.19 C ATOM 552 CE3 TRP A 35 -14.724 -12.734 -1.021 1.00 1.84 C ATOM 553 CZ2 TRP A 35 -15.226 -10.226 -2.183 1.00 1.66 C ATOM 554 CZ3 TRP A 35 -14.701 -12.579 -2.417 1.00 2.36 C ATOM 555 CH2 TRP A 35 -14.951 -11.327 -2.996 1.00 2.26 C ATOM 0 H TRP A 35 -13.425 -10.487 2.723 1.00 0.74 H new ATOM 0 HA TRP A 35 -13.266 -13.417 3.428 1.00 0.83 H new ATOM 0 HB2 TRP A 35 -15.286 -13.471 1.977 1.00 0.91 H new ATOM 0 HB3 TRP A 35 -15.504 -12.239 3.204 1.00 0.91 H new ATOM 0 HD1 TRP A 35 -15.532 -9.716 2.445 1.00 0.84 H new ATOM 0 HE1 TRP A 35 -15.694 -8.531 0.154 1.00 0.85 H new ATOM 0 HE3 TRP A 35 -14.529 -13.703 -0.585 1.00 1.84 H new ATOM 0 HZ2 TRP A 35 -15.420 -9.260 -2.624 1.00 1.66 H new ATOM 0 HZ3 TRP A 35 -14.489 -13.430 -3.048 1.00 2.36 H new ATOM 0 HH2 TRP A 35 -14.931 -11.214 -4.070 1.00 2.26 H new ATOM 566 N CYS A 36 -11.786 -12.037 0.997 1.00 0.65 N ATOM 567 CA CYS A 36 -10.935 -12.330 -0.196 1.00 0.67 C ATOM 568 C CYS A 36 -10.177 -13.651 0.005 1.00 0.84 C ATOM 569 O CYS A 36 -9.275 -13.742 0.815 1.00 1.63 O ATOM 570 CB CYS A 36 -9.962 -11.154 -0.276 1.00 0.58 C ATOM 571 SG CYS A 36 -9.342 -10.998 -1.968 1.00 1.07 S ATOM 0 H CYS A 36 -11.686 -11.098 1.383 1.00 0.65 H new ATOM 0 HA CYS A 36 -11.519 -12.440 -1.110 1.00 0.67 H new ATOM 0 HB2 CYS A 36 -10.462 -10.234 0.026 1.00 0.58 H new ATOM 0 HB3 CYS A 36 -9.132 -11.307 0.414 1.00 0.58 H new ATOM 576 N GLY A 37 -10.546 -14.673 -0.719 1.00 0.96 N ATOM 577 CA GLY A 37 -9.861 -15.990 -0.563 1.00 1.08 C ATOM 578 C GLY A 37 -8.471 -15.943 -1.203 1.00 1.00 C ATOM 579 O GLY A 37 -8.250 -15.264 -2.187 1.00 1.83 O ATOM 0 H GLY A 37 -11.293 -14.653 -1.413 1.00 0.96 H new ATOM 0 HA2 GLY A 37 -9.774 -16.240 0.494 1.00 1.08 H new ATOM 0 HA3 GLY A 37 -10.457 -16.775 -1.028 1.00 1.08 H new ATOM 583 N HIS A 38 -7.532 -16.666 -0.646 1.00 0.89 N ATOM 584 CA HIS A 38 -6.147 -16.680 -1.211 1.00 0.97 C ATOM 585 C HIS A 38 -5.587 -15.263 -1.316 1.00 0.88 C ATOM 586 O HIS A 38 -4.643 -15.009 -2.037 1.00 1.13 O ATOM 587 CB HIS A 38 -6.291 -17.304 -2.594 1.00 1.32 C ATOM 588 CG HIS A 38 -6.270 -18.802 -2.469 1.00 1.72 C ATOM 589 ND1 HIS A 38 -5.143 -19.494 -2.053 1.00 2.39 N ATOM 590 CD2 HIS A 38 -7.233 -19.755 -2.694 1.00 2.35 C ATOM 591 CE1 HIS A 38 -5.453 -20.803 -2.040 1.00 2.85 C ATOM 592 NE2 HIS A 38 -6.715 -21.017 -2.422 1.00 2.87 N ATOM 0 H HIS A 38 -7.665 -17.250 0.180 1.00 0.89 H new ATOM 0 HA HIS A 38 -5.456 -17.238 -0.579 1.00 0.97 H new ATOM 0 HB2 HIS A 38 -7.223 -16.979 -3.057 1.00 1.32 H new ATOM 0 HB3 HIS A 38 -5.481 -16.970 -3.242 1.00 1.32 H new ATOM 0 HD2 HIS A 38 -8.239 -19.555 -3.031 1.00 2.35 H new ATOM 0 HE1 HIS A 38 -4.765 -21.586 -1.755 1.00 2.85 H new ATOM 0 HE2 HIS A 38 -7.196 -21.913 -2.498 1.00 2.87 H new ATOM 600 N CYS A 39 -6.148 -14.344 -0.590 1.00 0.79 N ATOM 601 CA CYS A 39 -5.637 -12.950 -0.626 1.00 0.88 C ATOM 602 C CYS A 39 -4.750 -12.710 0.598 1.00 0.82 C ATOM 603 O CYS A 39 -3.899 -11.844 0.602 1.00 1.00 O ATOM 604 CB CYS A 39 -6.883 -12.070 -0.585 1.00 1.08 C ATOM 605 SG CYS A 39 -7.868 -12.365 -2.074 1.00 1.00 S ATOM 0 H CYS A 39 -6.943 -14.498 0.030 1.00 0.79 H new ATOM 0 HA CYS A 39 -5.034 -12.737 -1.509 1.00 0.88 H new ATOM 0 HB2 CYS A 39 -7.471 -12.293 0.305 1.00 1.08 H new ATOM 0 HB3 CYS A 39 -6.599 -11.019 -0.524 1.00 1.08 H new ATOM 610 N LYS A 40 -4.939 -13.487 1.632 1.00 0.78 N ATOM 611 CA LYS A 40 -4.104 -13.325 2.853 1.00 0.94 C ATOM 612 C LYS A 40 -2.728 -13.967 2.642 1.00 0.84 C ATOM 613 O LYS A 40 -1.812 -13.748 3.407 1.00 0.94 O ATOM 614 CB LYS A 40 -4.874 -14.053 3.958 1.00 1.21 C ATOM 615 CG LYS A 40 -4.992 -15.538 3.605 1.00 1.56 C ATOM 616 CD LYS A 40 -6.431 -16.006 3.835 1.00 2.11 C ATOM 617 CE LYS A 40 -6.534 -16.686 5.202 1.00 2.72 C ATOM 618 NZ LYS A 40 -6.122 -18.096 4.962 1.00 3.29 N ATOM 0 H LYS A 40 -5.638 -14.228 1.681 1.00 0.78 H new ATOM 0 HA LYS A 40 -3.930 -12.278 3.100 1.00 0.94 H new ATOM 0 HB2 LYS A 40 -4.360 -13.935 4.912 1.00 1.21 H new ATOM 0 HB3 LYS A 40 -5.866 -13.616 4.073 1.00 1.21 H new ATOM 0 HG2 LYS A 40 -4.708 -15.699 2.565 1.00 1.56 H new ATOM 0 HG3 LYS A 40 -4.306 -16.124 4.217 1.00 1.56 H new ATOM 0 HD2 LYS A 40 -7.113 -15.157 3.787 1.00 2.11 H new ATOM 0 HD3 LYS A 40 -6.729 -16.699 3.049 1.00 2.11 H new ATOM 0 HE2 LYS A 40 -5.885 -16.204 5.933 1.00 2.72 H new ATOM 0 HE3 LYS A 40 -7.550 -16.633 5.594 1.00 2.72 H new ATOM 0 HZ1 LYS A 40 -6.167 -18.628 5.855 1.00 3.29 H new ATOM 0 HZ2 LYS A 40 -6.762 -18.531 4.267 1.00 3.29 H new ATOM 0 HZ3 LYS A 40 -5.149 -18.116 4.596 1.00 3.29 H new ATOM 632 N ALA A 41 -2.573 -14.762 1.609 1.00 0.77 N ATOM 633 CA ALA A 41 -1.252 -15.414 1.357 1.00 0.86 C ATOM 634 C ALA A 41 -0.110 -14.392 1.456 1.00 0.75 C ATOM 635 O ALA A 41 1.020 -14.739 1.739 1.00 0.90 O ATOM 636 CB ALA A 41 -1.353 -15.965 -0.065 1.00 0.93 C ATOM 0 H ALA A 41 -3.303 -14.986 0.933 1.00 0.77 H new ATOM 0 HA ALA A 41 -1.035 -16.192 2.089 1.00 0.86 H new ATOM 0 HB1 ALA A 41 -0.420 -16.462 -0.330 1.00 0.93 H new ATOM 0 HB2 ALA A 41 -2.173 -16.681 -0.121 1.00 0.93 H new ATOM 0 HB3 ALA A 41 -1.538 -15.146 -0.760 1.00 0.93 H new ATOM 642 N LEU A 42 -0.394 -13.137 1.228 1.00 0.65 N ATOM 643 CA LEU A 42 0.679 -12.102 1.316 1.00 0.67 C ATOM 644 C LEU A 42 0.417 -11.140 2.487 1.00 0.63 C ATOM 645 O LEU A 42 1.133 -10.178 2.678 1.00 0.70 O ATOM 646 CB LEU A 42 0.618 -11.353 -0.014 1.00 0.82 C ATOM 647 CG LEU A 42 1.915 -10.569 -0.217 1.00 0.86 C ATOM 648 CD1 LEU A 42 2.946 -11.458 -0.913 1.00 1.24 C ATOM 649 CD2 LEU A 42 1.637 -9.337 -1.082 1.00 1.37 C ATOM 0 H LEU A 42 -1.320 -12.784 0.985 1.00 0.65 H new ATOM 0 HA LEU A 42 1.658 -12.548 1.493 1.00 0.67 H new ATOM 0 HB2 LEU A 42 0.474 -12.057 -0.834 1.00 0.82 H new ATOM 0 HB3 LEU A 42 -0.235 -10.674 -0.023 1.00 0.82 H new ATOM 0 HG LEU A 42 2.303 -10.253 0.751 1.00 0.86 H new ATOM 0 HD11 LEU A 42 3.870 -10.899 -1.057 1.00 1.24 H new ATOM 0 HD12 LEU A 42 3.145 -12.335 -0.297 1.00 1.24 H new ATOM 0 HD13 LEU A 42 2.559 -11.775 -1.881 1.00 1.24 H new ATOM 0 HD21 LEU A 42 2.561 -8.778 -1.227 1.00 1.37 H new ATOM 0 HD22 LEU A 42 1.248 -9.652 -2.050 1.00 1.37 H new ATOM 0 HD23 LEU A 42 0.903 -8.702 -0.586 1.00 1.37 H new ATOM 661 N ALA A 43 -0.596 -11.394 3.274 1.00 0.71 N ATOM 662 CA ALA A 43 -0.891 -10.496 4.430 1.00 0.73 C ATOM 663 C ALA A 43 0.328 -10.371 5.363 1.00 0.67 C ATOM 664 O ALA A 43 0.664 -9.281 5.782 1.00 0.65 O ATOM 665 CB ALA A 43 -2.055 -11.162 5.163 1.00 0.88 C ATOM 0 H ALA A 43 -1.232 -12.184 3.166 1.00 0.71 H new ATOM 0 HA ALA A 43 -1.131 -9.485 4.101 1.00 0.73 H new ATOM 0 HB1 ALA A 43 -2.332 -10.560 6.029 1.00 0.88 H new ATOM 0 HB2 ALA A 43 -2.909 -11.245 4.491 1.00 0.88 H new ATOM 0 HB3 ALA A 43 -1.756 -12.157 5.493 1.00 0.88 H new ATOM 671 N PRO A 44 0.957 -11.486 5.661 1.00 0.69 N ATOM 672 CA PRO A 44 2.138 -11.464 6.548 1.00 0.70 C ATOM 673 C PRO A 44 3.384 -11.057 5.759 1.00 0.59 C ATOM 674 O PRO A 44 4.412 -10.740 6.324 1.00 0.65 O ATOM 675 CB PRO A 44 2.248 -12.902 7.039 1.00 0.83 C ATOM 676 CG PRO A 44 1.577 -13.738 5.992 1.00 0.84 C ATOM 677 CD PRO A 44 0.644 -12.846 5.208 1.00 0.76 C ATOM 0 HA PRO A 44 2.048 -10.750 7.366 1.00 0.70 H new ATOM 0 HB2 PRO A 44 3.290 -13.194 7.165 1.00 0.83 H new ATOM 0 HB3 PRO A 44 1.763 -13.024 8.008 1.00 0.83 H new ATOM 0 HG2 PRO A 44 2.318 -14.188 5.332 1.00 0.84 H new ATOM 0 HG3 PRO A 44 1.024 -14.555 6.454 1.00 0.84 H new ATOM 0 HD2 PRO A 44 0.804 -12.952 4.135 1.00 0.76 H new ATOM 0 HD3 PRO A 44 -0.399 -13.097 5.401 1.00 0.76 H new ATOM 685 N GLU A 45 3.299 -11.045 4.456 1.00 0.53 N ATOM 686 CA GLU A 45 4.476 -10.637 3.641 1.00 0.46 C ATOM 687 C GLU A 45 4.416 -9.128 3.428 1.00 0.41 C ATOM 688 O GLU A 45 5.409 -8.432 3.497 1.00 0.47 O ATOM 689 CB GLU A 45 4.328 -11.385 2.316 1.00 0.48 C ATOM 690 CG GLU A 45 4.943 -12.779 2.450 1.00 0.61 C ATOM 691 CD GLU A 45 3.932 -13.830 1.989 1.00 1.12 C ATOM 692 OE1 GLU A 45 3.911 -14.124 0.805 1.00 1.90 O ATOM 693 OE2 GLU A 45 3.194 -14.322 2.827 1.00 1.83 O ATOM 0 H GLU A 45 2.467 -11.300 3.923 1.00 0.53 H new ATOM 0 HA GLU A 45 5.430 -10.870 4.114 1.00 0.46 H new ATOM 0 HB2 GLU A 45 3.275 -11.464 2.046 1.00 0.48 H new ATOM 0 HB3 GLU A 45 4.822 -10.833 1.516 1.00 0.48 H new ATOM 0 HG2 GLU A 45 5.852 -12.846 1.852 1.00 0.61 H new ATOM 0 HG3 GLU A 45 5.229 -12.964 3.485 1.00 0.61 H new ATOM 700 N TYR A 46 3.238 -8.623 3.197 1.00 0.43 N ATOM 701 CA TYR A 46 3.065 -7.161 3.008 1.00 0.48 C ATOM 702 C TYR A 46 3.274 -6.459 4.362 1.00 0.52 C ATOM 703 O TYR A 46 3.588 -5.287 4.425 1.00 0.69 O ATOM 704 CB TYR A 46 1.620 -7.033 2.477 1.00 0.64 C ATOM 705 CG TYR A 46 0.946 -5.761 2.952 1.00 0.72 C ATOM 706 CD1 TYR A 46 0.246 -5.764 4.163 1.00 1.03 C ATOM 707 CD2 TYR A 46 1.010 -4.592 2.183 1.00 1.02 C ATOM 708 CE1 TYR A 46 -0.390 -4.602 4.607 1.00 1.39 C ATOM 709 CE2 TYR A 46 0.375 -3.426 2.630 1.00 1.38 C ATOM 710 CZ TYR A 46 -0.326 -3.432 3.842 1.00 1.50 C ATOM 711 OH TYR A 46 -0.955 -2.288 4.283 1.00 1.95 O ATOM 0 H TYR A 46 2.379 -9.169 3.131 1.00 0.43 H new ATOM 0 HA TYR A 46 3.773 -6.698 2.320 1.00 0.48 H new ATOM 0 HB2 TYR A 46 1.632 -7.050 1.387 1.00 0.64 H new ATOM 0 HB3 TYR A 46 1.037 -7.895 2.803 1.00 0.64 H new ATOM 0 HD1 TYR A 46 0.197 -6.666 4.755 1.00 1.03 H new ATOM 0 HD2 TYR A 46 1.548 -4.590 1.247 1.00 1.02 H new ATOM 0 HE1 TYR A 46 -0.932 -4.607 5.541 1.00 1.39 H new ATOM 0 HE2 TYR A 46 0.426 -2.523 2.040 1.00 1.38 H new ATOM 0 HH TYR A 46 -0.295 -1.570 4.384 1.00 1.95 H new ATOM 721 N ALA A 47 3.102 -7.175 5.444 1.00 0.53 N ATOM 722 CA ALA A 47 3.291 -6.557 6.786 1.00 0.62 C ATOM 723 C ALA A 47 4.771 -6.578 7.176 1.00 0.58 C ATOM 724 O ALA A 47 5.229 -5.764 7.954 1.00 0.68 O ATOM 725 CB ALA A 47 2.472 -7.426 7.740 1.00 0.73 C ATOM 0 H ALA A 47 2.839 -8.160 5.454 1.00 0.53 H new ATOM 0 HA ALA A 47 2.973 -5.515 6.809 1.00 0.62 H new ATOM 0 HB1 ALA A 47 2.559 -7.035 8.754 1.00 0.73 H new ATOM 0 HB2 ALA A 47 1.425 -7.414 7.435 1.00 0.73 H new ATOM 0 HB3 ALA A 47 2.846 -8.449 7.712 1.00 0.73 H new ATOM 731 N LYS A 48 5.521 -7.502 6.642 1.00 0.51 N ATOM 732 CA LYS A 48 6.972 -7.574 6.982 1.00 0.55 C ATOM 733 C LYS A 48 7.765 -6.582 6.127 1.00 0.53 C ATOM 734 O LYS A 48 8.865 -6.194 6.470 1.00 0.65 O ATOM 735 CB LYS A 48 7.381 -9.012 6.662 1.00 0.60 C ATOM 736 CG LYS A 48 7.666 -9.763 7.964 1.00 1.03 C ATOM 737 CD LYS A 48 7.187 -11.209 7.832 1.00 1.41 C ATOM 738 CE LYS A 48 6.647 -11.695 9.178 1.00 1.92 C ATOM 739 NZ LYS A 48 6.226 -13.103 8.937 1.00 2.47 N ATOM 0 H LYS A 48 5.193 -8.210 5.985 1.00 0.51 H new ATOM 0 HA LYS A 48 7.168 -7.318 8.023 1.00 0.55 H new ATOM 0 HB2 LYS A 48 6.587 -9.512 6.107 1.00 0.60 H new ATOM 0 HB3 LYS A 48 8.266 -9.017 6.026 1.00 0.60 H new ATOM 0 HG2 LYS A 48 8.733 -9.741 8.183 1.00 1.03 H new ATOM 0 HG3 LYS A 48 7.159 -9.275 8.797 1.00 1.03 H new ATOM 0 HD2 LYS A 48 6.410 -11.277 7.071 1.00 1.41 H new ATOM 0 HD3 LYS A 48 8.009 -11.847 7.507 1.00 1.41 H new ATOM 0 HE2 LYS A 48 7.411 -11.638 9.954 1.00 1.92 H new ATOM 0 HE3 LYS A 48 5.808 -11.084 9.511 1.00 1.92 H new ATOM 0 HZ1 LYS A 48 5.844 -13.506 9.816 1.00 2.47 H new ATOM 0 HZ2 LYS A 48 5.494 -13.125 8.199 1.00 2.47 H new ATOM 0 HZ3 LYS A 48 7.046 -13.662 8.628 1.00 2.47 H new ATOM 753 N ALA A 49 7.218 -6.168 5.017 1.00 0.47 N ATOM 754 CA ALA A 49 7.941 -5.201 4.141 1.00 0.50 C ATOM 755 C ALA A 49 8.226 -3.906 4.905 1.00 0.53 C ATOM 756 O ALA A 49 9.252 -3.280 4.728 1.00 0.65 O ATOM 757 CB ALA A 49 6.993 -4.940 2.971 1.00 0.55 C ATOM 0 H ALA A 49 6.301 -6.458 4.678 1.00 0.47 H new ATOM 0 HA ALA A 49 8.903 -5.587 3.805 1.00 0.50 H new ATOM 0 HB1 ALA A 49 7.454 -4.235 2.279 1.00 0.55 H new ATOM 0 HB2 ALA A 49 6.789 -5.877 2.452 1.00 0.55 H new ATOM 0 HB3 ALA A 49 6.059 -4.522 3.346 1.00 0.55 H new ATOM 763 N ALA A 50 7.324 -3.502 5.755 1.00 0.54 N ATOM 764 CA ALA A 50 7.543 -2.248 6.535 1.00 0.65 C ATOM 765 C ALA A 50 8.779 -2.391 7.428 1.00 0.65 C ATOM 766 O ALA A 50 9.342 -1.417 7.884 1.00 0.77 O ATOM 767 CB ALA A 50 6.283 -2.084 7.384 1.00 0.76 C ATOM 0 H ALA A 50 6.445 -3.984 5.945 1.00 0.54 H new ATOM 0 HA ALA A 50 7.714 -1.385 5.891 1.00 0.65 H new ATOM 0 HB1 ALA A 50 6.367 -1.181 7.989 1.00 0.76 H new ATOM 0 HB2 ALA A 50 5.413 -2.005 6.732 1.00 0.76 H new ATOM 0 HB3 ALA A 50 6.169 -2.949 8.038 1.00 0.76 H new ATOM 773 N GLY A 51 9.210 -3.597 7.675 1.00 0.59 N ATOM 774 CA GLY A 51 10.415 -3.795 8.529 1.00 0.69 C ATOM 775 C GLY A 51 11.671 -3.705 7.656 1.00 0.78 C ATOM 776 O GLY A 51 12.758 -3.462 8.141 1.00 0.90 O ATOM 0 H GLY A 51 8.781 -4.453 7.323 1.00 0.59 H new ATOM 0 HA2 GLY A 51 10.448 -3.039 9.313 1.00 0.69 H new ATOM 0 HA3 GLY A 51 10.370 -4.765 9.023 1.00 0.69 H new ATOM 780 N LYS A 52 11.530 -3.902 6.371 1.00 0.80 N ATOM 781 CA LYS A 52 12.716 -3.827 5.471 1.00 1.01 C ATOM 782 C LYS A 52 13.126 -2.368 5.250 1.00 1.12 C ATOM 783 O LYS A 52 14.291 -2.060 5.095 1.00 1.31 O ATOM 784 CB LYS A 52 12.253 -4.458 4.156 1.00 1.15 C ATOM 785 CG LYS A 52 11.905 -5.929 4.388 1.00 1.49 C ATOM 786 CD LYS A 52 13.185 -6.768 4.361 1.00 1.97 C ATOM 787 CE LYS A 52 13.012 -7.992 5.263 1.00 2.64 C ATOM 788 NZ LYS A 52 13.581 -7.585 6.577 1.00 3.08 N ATOM 0 H LYS A 52 10.646 -4.111 5.908 1.00 0.80 H new ATOM 0 HA LYS A 52 13.583 -4.339 5.889 1.00 1.01 H new ATOM 0 HB2 LYS A 52 11.384 -3.925 3.771 1.00 1.15 H new ATOM 0 HB3 LYS A 52 13.038 -4.374 3.404 1.00 1.15 H new ATOM 0 HG2 LYS A 52 11.400 -6.047 5.347 1.00 1.49 H new ATOM 0 HG3 LYS A 52 11.214 -6.276 3.619 1.00 1.49 H new ATOM 0 HD2 LYS A 52 13.405 -7.083 3.341 1.00 1.97 H new ATOM 0 HD3 LYS A 52 14.031 -6.170 4.699 1.00 1.97 H new ATOM 0 HE2 LYS A 52 11.962 -8.268 5.356 1.00 2.64 H new ATOM 0 HE3 LYS A 52 13.535 -8.858 4.858 1.00 2.64 H new ATOM 0 HZ1 LYS A 52 13.499 -8.373 7.250 1.00 3.08 H new ATOM 0 HZ2 LYS A 52 14.583 -7.334 6.459 1.00 3.08 H new ATOM 0 HZ3 LYS A 52 13.059 -6.763 6.942 1.00 3.08 H new ATOM 802 N LEU A 53 12.181 -1.466 5.232 1.00 1.12 N ATOM 803 CA LEU A 53 12.531 -0.031 5.019 1.00 1.33 C ATOM 804 C LEU A 53 13.187 0.545 6.279 1.00 1.30 C ATOM 805 O LEU A 53 13.876 1.545 6.229 1.00 1.50 O ATOM 806 CB LEU A 53 11.199 0.671 4.716 1.00 1.55 C ATOM 807 CG LEU A 53 10.320 0.702 5.969 1.00 1.47 C ATOM 808 CD1 LEU A 53 10.613 1.977 6.763 1.00 2.07 C ATOM 809 CD2 LEU A 53 8.846 0.686 5.559 1.00 1.82 C ATOM 0 H LEU A 53 11.187 -1.659 5.355 1.00 1.12 H new ATOM 0 HA LEU A 53 13.245 0.105 4.206 1.00 1.33 H new ATOM 0 HB2 LEU A 53 11.386 1.687 4.369 1.00 1.55 H new ATOM 0 HB3 LEU A 53 10.680 0.150 3.912 1.00 1.55 H new ATOM 0 HG LEU A 53 10.535 -0.170 6.586 1.00 1.47 H new ATOM 0 HD11 LEU A 53 9.988 2.001 7.656 1.00 2.07 H new ATOM 0 HD12 LEU A 53 11.663 1.991 7.055 1.00 2.07 H new ATOM 0 HD13 LEU A 53 10.397 2.848 6.145 1.00 2.07 H new ATOM 0 HD21 LEU A 53 8.220 0.708 6.451 1.00 1.82 H new ATOM 0 HD22 LEU A 53 8.630 1.559 4.943 1.00 1.82 H new ATOM 0 HD23 LEU A 53 8.636 -0.220 4.991 1.00 1.82 H new ATOM 821 N LYS A 54 12.976 -0.075 7.408 1.00 1.20 N ATOM 822 CA LYS A 54 13.586 0.438 8.668 1.00 1.35 C ATOM 823 C LYS A 54 15.113 0.404 8.569 1.00 1.40 C ATOM 824 O LYS A 54 15.774 1.417 8.687 1.00 1.67 O ATOM 825 CB LYS A 54 13.099 -0.515 9.759 1.00 1.46 C ATOM 826 CG LYS A 54 13.551 -0.001 11.128 1.00 1.91 C ATOM 827 CD LYS A 54 14.529 -0.999 11.752 1.00 2.50 C ATOM 828 CE LYS A 54 15.060 -0.440 13.073 1.00 2.87 C ATOM 829 NZ LYS A 54 15.458 -1.638 13.862 1.00 3.88 N ATOM 0 H LYS A 54 12.407 -0.915 7.512 1.00 1.20 H new ATOM 0 HA LYS A 54 13.304 1.471 8.872 1.00 1.35 H new ATOM 0 HB2 LYS A 54 12.012 -0.593 9.729 1.00 1.46 H new ATOM 0 HB3 LYS A 54 13.495 -1.515 9.586 1.00 1.46 H new ATOM 0 HG2 LYS A 54 14.028 0.974 11.023 1.00 1.91 H new ATOM 0 HG3 LYS A 54 12.688 0.135 11.780 1.00 1.91 H new ATOM 0 HD2 LYS A 54 14.031 -1.953 11.923 1.00 2.50 H new ATOM 0 HD3 LYS A 54 15.356 -1.190 11.068 1.00 2.50 H new ATOM 0 HE2 LYS A 54 15.908 0.225 12.909 1.00 2.87 H new ATOM 0 HE3 LYS A 54 14.297 0.140 13.592 1.00 2.87 H new ATOM 0 HZ1 LYS A 54 15.833 -1.337 14.784 1.00 3.88 H new ATOM 0 HZ2 LYS A 54 14.629 -2.249 14.008 1.00 3.88 H new ATOM 0 HZ3 LYS A 54 16.190 -2.166 13.346 1.00 3.88 H new ATOM 843 N ALA A 55 15.677 -0.753 8.356 1.00 1.63 N ATOM 844 CA ALA A 55 17.162 -0.849 8.251 1.00 2.20 C ATOM 845 C ALA A 55 17.681 0.122 7.189 1.00 2.03 C ATOM 846 O ALA A 55 18.799 0.594 7.259 1.00 2.38 O ATOM 847 CB ALA A 55 17.437 -2.295 7.836 1.00 2.78 C ATOM 0 H ALA A 55 15.176 -1.635 8.250 1.00 1.63 H new ATOM 0 HA ALA A 55 17.660 -0.592 9.186 1.00 2.20 H new ATOM 0 HB1 ALA A 55 18.512 -2.447 7.737 1.00 2.78 H new ATOM 0 HB2 ALA A 55 17.043 -2.972 8.594 1.00 2.78 H new ATOM 0 HB3 ALA A 55 16.953 -2.498 6.881 1.00 2.78 H new ATOM 853 N GLU A 56 16.880 0.424 6.205 1.00 1.67 N ATOM 854 CA GLU A 56 17.326 1.366 5.139 1.00 1.70 C ATOM 855 C GLU A 56 16.911 2.799 5.483 1.00 1.53 C ATOM 856 O GLU A 56 17.446 3.754 4.956 1.00 1.98 O ATOM 857 CB GLU A 56 16.616 0.894 3.871 1.00 1.99 C ATOM 858 CG GLU A 56 17.136 -0.491 3.481 1.00 2.69 C ATOM 859 CD GLU A 56 18.265 -0.342 2.460 1.00 3.21 C ATOM 860 OE1 GLU A 56 19.407 -0.240 2.879 1.00 3.64 O ATOM 861 OE2 GLU A 56 17.969 -0.332 1.277 1.00 3.63 O ATOM 0 H GLU A 56 15.934 0.059 6.092 1.00 1.67 H new ATOM 0 HA GLU A 56 18.410 1.371 5.024 1.00 1.70 H new ATOM 0 HB2 GLU A 56 15.539 0.857 4.037 1.00 1.99 H new ATOM 0 HB3 GLU A 56 16.789 1.601 3.060 1.00 1.99 H new ATOM 0 HG2 GLU A 56 17.497 -1.018 4.364 1.00 2.69 H new ATOM 0 HG3 GLU A 56 16.328 -1.090 3.061 1.00 2.69 H new ATOM 868 N GLY A 57 15.960 2.958 6.363 1.00 1.58 N ATOM 869 CA GLY A 57 15.512 4.328 6.735 1.00 2.25 C ATOM 870 C GLY A 57 14.919 5.022 5.508 1.00 1.97 C ATOM 871 O GLY A 57 15.217 6.165 5.224 1.00 2.50 O ATOM 0 H GLY A 57 15.475 2.198 6.840 1.00 1.58 H new ATOM 0 HA2 GLY A 57 14.769 4.275 7.531 1.00 2.25 H new ATOM 0 HA3 GLY A 57 16.353 4.905 7.121 1.00 2.25 H new ATOM 875 N SER A 58 14.079 4.340 4.776 1.00 1.30 N ATOM 876 CA SER A 58 13.469 4.959 3.571 1.00 1.23 C ATOM 877 C SER A 58 12.277 5.826 3.970 1.00 1.03 C ATOM 878 O SER A 58 11.959 5.974 5.134 1.00 1.27 O ATOM 879 CB SER A 58 13.009 3.779 2.717 1.00 1.53 C ATOM 880 OG SER A 58 14.121 2.944 2.424 1.00 2.13 O ATOM 0 H SER A 58 13.791 3.380 4.964 1.00 1.30 H new ATOM 0 HA SER A 58 14.167 5.605 3.038 1.00 1.23 H new ATOM 0 HB2 SER A 58 12.243 3.211 3.245 1.00 1.53 H new ATOM 0 HB3 SER A 58 12.558 4.139 1.793 1.00 1.53 H new ATOM 0 HG SER A 58 13.826 2.186 1.878 1.00 2.13 H new ATOM 886 N GLU A 59 11.614 6.384 3.007 1.00 0.85 N ATOM 887 CA GLU A 59 10.430 7.232 3.299 1.00 0.87 C ATOM 888 C GLU A 59 9.160 6.520 2.825 1.00 0.76 C ATOM 889 O GLU A 59 8.057 6.953 3.088 1.00 1.06 O ATOM 890 CB GLU A 59 10.662 8.509 2.496 1.00 1.10 C ATOM 891 CG GLU A 59 10.850 8.161 1.017 1.00 1.05 C ATOM 892 CD GLU A 59 10.150 9.212 0.153 1.00 1.58 C ATOM 893 OE1 GLU A 59 10.177 10.372 0.529 1.00 2.13 O ATOM 894 OE2 GLU A 59 9.599 8.838 -0.869 1.00 2.22 O ATOM 0 H GLU A 59 11.842 6.290 2.017 1.00 0.85 H new ATOM 0 HA GLU A 59 10.307 7.437 4.362 1.00 0.87 H new ATOM 0 HB2 GLU A 59 9.815 9.184 2.616 1.00 1.10 H new ATOM 0 HB3 GLU A 59 11.542 9.031 2.871 1.00 1.10 H new ATOM 0 HG2 GLU A 59 11.912 8.123 0.773 1.00 1.05 H new ATOM 0 HG3 GLU A 59 10.440 7.173 0.810 1.00 1.05 H new ATOM 901 N ILE A 60 9.314 5.428 2.123 1.00 0.59 N ATOM 902 CA ILE A 60 8.130 4.681 1.624 1.00 0.57 C ATOM 903 C ILE A 60 7.327 4.107 2.795 1.00 0.52 C ATOM 904 O ILE A 60 7.879 3.665 3.782 1.00 0.63 O ATOM 905 CB ILE A 60 8.723 3.561 0.771 1.00 0.68 C ATOM 906 CG1 ILE A 60 9.636 2.684 1.635 1.00 1.46 C ATOM 907 CG2 ILE A 60 9.539 4.168 -0.372 1.00 1.34 C ATOM 908 CD1 ILE A 60 8.831 1.527 2.223 1.00 1.60 C ATOM 0 H ILE A 60 10.216 5.022 1.874 1.00 0.59 H new ATOM 0 HA ILE A 60 7.442 5.311 1.060 1.00 0.57 H new ATOM 0 HB ILE A 60 7.916 2.953 0.362 1.00 0.68 H new ATOM 0 HG12 ILE A 60 10.460 2.298 1.035 1.00 1.46 H new ATOM 0 HG13 ILE A 60 10.076 3.278 2.436 1.00 1.46 H new ATOM 0 HG21 ILE A 60 9.962 3.369 -0.981 1.00 1.34 H new ATOM 0 HG22 ILE A 60 8.892 4.791 -0.990 1.00 1.34 H new ATOM 0 HG23 ILE A 60 10.344 4.777 0.039 1.00 1.34 H new ATOM 0 HD11 ILE A 60 9.483 0.905 2.837 1.00 1.60 H new ATOM 0 HD12 ILE A 60 8.022 1.922 2.838 1.00 1.60 H new ATOM 0 HD13 ILE A 60 8.413 0.927 1.415 1.00 1.60 H new ATOM 920 N ARG A 61 6.026 4.108 2.689 1.00 0.45 N ATOM 921 CA ARG A 61 5.185 3.560 3.793 1.00 0.45 C ATOM 922 C ARG A 61 4.202 2.520 3.245 1.00 0.41 C ATOM 923 O ARG A 61 3.972 2.437 2.055 1.00 0.55 O ATOM 924 CB ARG A 61 4.430 4.767 4.352 1.00 0.51 C ATOM 925 CG ARG A 61 4.457 4.723 5.880 1.00 0.75 C ATOM 926 CD ARG A 61 3.391 5.670 6.436 1.00 0.97 C ATOM 927 NE ARG A 61 3.947 6.157 7.729 1.00 1.30 N ATOM 928 CZ ARG A 61 4.259 7.415 7.874 1.00 1.66 C ATOM 929 NH1 ARG A 61 4.708 8.098 6.857 1.00 2.19 N ATOM 930 NH2 ARG A 61 4.122 7.992 9.038 1.00 2.21 N ATOM 0 H ARG A 61 5.508 4.465 1.886 1.00 0.45 H new ATOM 0 HA ARG A 61 5.781 3.061 4.557 1.00 0.45 H new ATOM 0 HB2 ARG A 61 4.886 5.691 3.996 1.00 0.51 H new ATOM 0 HB3 ARG A 61 3.400 4.762 3.996 1.00 0.51 H new ATOM 0 HG2 ARG A 61 4.273 3.707 6.229 1.00 0.75 H new ATOM 0 HG3 ARG A 61 5.442 5.012 6.246 1.00 0.75 H new ATOM 0 HD2 ARG A 61 3.201 6.497 5.751 1.00 0.97 H new ATOM 0 HD3 ARG A 61 2.442 5.154 6.583 1.00 0.97 H new ATOM 0 HE ARG A 61 4.084 5.506 8.502 1.00 1.30 H new ATOM 0 HH11 ARG A 61 4.815 7.648 5.948 1.00 2.19 H new ATOM 0 HH12 ARG A 61 4.952 9.082 6.971 1.00 2.19 H new ATOM 0 HH21 ARG A 61 3.771 7.459 9.833 1.00 2.21 H new ATOM 0 HH22 ARG A 61 4.366 8.976 9.151 1.00 2.21 H new ATOM 944 N LEU A 62 3.620 1.729 4.105 1.00 0.35 N ATOM 945 CA LEU A 62 2.651 0.698 3.634 1.00 0.36 C ATOM 946 C LEU A 62 1.265 0.975 4.217 1.00 0.32 C ATOM 947 O LEU A 62 1.135 1.485 5.312 1.00 0.38 O ATOM 948 CB LEU A 62 3.196 -0.630 4.160 1.00 0.48 C ATOM 949 CG LEU A 62 4.343 -1.101 3.265 1.00 0.73 C ATOM 950 CD1 LEU A 62 5.235 -2.069 4.045 1.00 1.22 C ATOM 951 CD2 LEU A 62 3.772 -1.813 2.036 1.00 1.59 C ATOM 0 H LEU A 62 3.773 1.752 5.113 1.00 0.35 H new ATOM 0 HA LEU A 62 2.547 0.694 2.549 1.00 0.36 H new ATOM 0 HB2 LEU A 62 3.546 -0.511 5.185 1.00 0.48 H new ATOM 0 HB3 LEU A 62 2.404 -1.379 4.178 1.00 0.48 H new ATOM 0 HG LEU A 62 4.931 -0.241 2.947 1.00 0.73 H new ATOM 0 HD11 LEU A 62 6.053 -2.405 3.407 1.00 1.22 H new ATOM 0 HD12 LEU A 62 5.642 -1.563 4.921 1.00 1.22 H new ATOM 0 HD13 LEU A 62 4.647 -2.929 4.364 1.00 1.22 H new ATOM 0 HD21 LEU A 62 4.589 -2.149 1.398 1.00 1.59 H new ATOM 0 HD22 LEU A 62 3.183 -2.673 2.355 1.00 1.59 H new ATOM 0 HD23 LEU A 62 3.136 -1.124 1.479 1.00 1.59 H new ATOM 963 N ALA A 63 0.226 0.646 3.499 1.00 0.30 N ATOM 964 CA ALA A 63 -1.148 0.899 4.027 1.00 0.32 C ATOM 965 C ALA A 63 -2.150 -0.071 3.397 1.00 0.31 C ATOM 966 O ALA A 63 -1.946 -0.571 2.309 1.00 0.37 O ATOM 967 CB ALA A 63 -1.468 2.338 3.622 1.00 0.37 C ATOM 0 H ALA A 63 0.266 0.216 2.575 1.00 0.30 H new ATOM 0 HA ALA A 63 -1.207 0.754 5.106 1.00 0.32 H new ATOM 0 HB1 ALA A 63 -2.465 2.602 3.974 1.00 0.37 H new ATOM 0 HB2 ALA A 63 -0.736 3.012 4.066 1.00 0.37 H new ATOM 0 HB3 ALA A 63 -1.432 2.427 2.536 1.00 0.37 H new ATOM 973 N LYS A 64 -3.235 -0.341 4.073 1.00 0.30 N ATOM 974 CA LYS A 64 -4.249 -1.281 3.508 1.00 0.32 C ATOM 975 C LYS A 64 -5.657 -0.700 3.654 1.00 0.32 C ATOM 976 O LYS A 64 -5.888 0.210 4.426 1.00 0.40 O ATOM 977 CB LYS A 64 -4.109 -2.560 4.335 1.00 0.38 C ATOM 978 CG LYS A 64 -3.910 -3.755 3.401 1.00 1.39 C ATOM 979 CD LYS A 64 -3.701 -5.023 4.232 1.00 1.60 C ATOM 980 CE LYS A 64 -3.394 -6.199 3.303 1.00 2.04 C ATOM 981 NZ LYS A 64 -4.016 -7.382 3.964 1.00 2.26 N ATOM 0 H LYS A 64 -3.463 0.047 4.988 1.00 0.30 H new ATOM 0 HA LYS A 64 -4.092 -1.462 2.445 1.00 0.32 H new ATOM 0 HB2 LYS A 64 -3.263 -2.474 5.017 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -4.998 -2.708 4.948 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -4.778 -3.872 2.752 1.00 1.39 H new ATOM 0 HG3 LYS A 64 -3.049 -3.585 2.754 1.00 1.39 H new ATOM 0 HD2 LYS A 64 -2.881 -4.878 4.935 1.00 1.60 H new ATOM 0 HD3 LYS A 64 -4.593 -5.235 4.821 1.00 1.60 H new ATOM 0 HE2 LYS A 64 -3.811 -6.037 2.309 1.00 2.04 H new ATOM 0 HE3 LYS A 64 -2.320 -6.335 3.179 1.00 2.04 H new ATOM 0 HZ1 LYS A 64 -3.907 -8.217 3.354 1.00 2.26 H new ATOM 0 HZ2 LYS A 64 -3.548 -7.556 4.876 1.00 2.26 H new ATOM 0 HZ3 LYS A 64 -5.027 -7.199 4.123 1.00 2.26 H new ATOM 995 N VAL A 65 -6.602 -1.219 2.917 1.00 0.30 N ATOM 996 CA VAL A 65 -7.996 -0.698 3.014 1.00 0.32 C ATOM 997 C VAL A 65 -9.001 -1.847 2.937 1.00 0.31 C ATOM 998 O VAL A 65 -8.781 -2.834 2.264 1.00 0.36 O ATOM 999 CB VAL A 65 -8.158 0.226 1.807 1.00 0.40 C ATOM 1000 CG1 VAL A 65 -9.597 0.747 1.749 1.00 0.45 C ATOM 1001 CG2 VAL A 65 -7.195 1.402 1.934 1.00 0.70 C ATOM 0 H VAL A 65 -6.469 -1.981 2.252 1.00 0.30 H new ATOM 0 HA VAL A 65 -8.174 -0.181 3.957 1.00 0.32 H new ATOM 0 HB VAL A 65 -7.937 -0.328 0.895 1.00 0.40 H new ATOM 0 HG11 VAL A 65 -9.711 1.406 0.888 1.00 0.45 H new ATOM 0 HG12 VAL A 65 -10.285 -0.094 1.657 1.00 0.45 H new ATOM 0 HG13 VAL A 65 -9.821 1.300 2.661 1.00 0.45 H new ATOM 0 HG21 VAL A 65 -7.310 2.061 1.074 1.00 0.70 H new ATOM 0 HG22 VAL A 65 -7.415 1.955 2.847 1.00 0.70 H new ATOM 0 HG23 VAL A 65 -6.171 1.031 1.972 1.00 0.70 H new ATOM 1011 N ASP A 66 -10.108 -1.719 3.610 1.00 0.35 N ATOM 1012 CA ASP A 66 -11.134 -2.796 3.564 1.00 0.39 C ATOM 1013 C ASP A 66 -12.152 -2.490 2.461 1.00 0.40 C ATOM 1014 O ASP A 66 -13.118 -1.785 2.673 1.00 0.44 O ATOM 1015 CB ASP A 66 -11.800 -2.772 4.939 1.00 0.47 C ATOM 1016 CG ASP A 66 -10.881 -3.448 5.960 1.00 0.67 C ATOM 1017 OD1 ASP A 66 -10.025 -2.767 6.499 1.00 1.38 O ATOM 1018 OD2 ASP A 66 -11.051 -4.635 6.184 1.00 1.30 O ATOM 0 H ASP A 66 -10.347 -0.915 4.190 1.00 0.35 H new ATOM 0 HA ASP A 66 -10.706 -3.774 3.345 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.002 -1.744 5.240 1.00 0.47 H new ATOM 0 HB3 ASP A 66 -12.760 -3.287 4.900 1.00 0.47 H new ATOM 1023 N ALA A 67 -11.935 -3.008 1.280 1.00 0.40 N ATOM 1024 CA ALA A 67 -12.880 -2.743 0.153 1.00 0.46 C ATOM 1025 C ALA A 67 -14.332 -2.952 0.597 1.00 0.51 C ATOM 1026 O ALA A 67 -15.247 -2.361 0.060 1.00 0.57 O ATOM 1027 CB ALA A 67 -12.498 -3.760 -0.921 1.00 0.51 C ATOM 0 H ALA A 67 -11.142 -3.605 1.046 1.00 0.40 H new ATOM 0 HA ALA A 67 -12.812 -1.716 -0.204 1.00 0.46 H new ATOM 0 HB1 ALA A 67 -13.146 -3.634 -1.788 1.00 0.51 H new ATOM 0 HB2 ALA A 67 -11.461 -3.604 -1.218 1.00 0.51 H new ATOM 0 HB3 ALA A 67 -12.614 -4.769 -0.525 1.00 0.51 H new ATOM 1033 N THR A 68 -14.550 -3.786 1.575 1.00 0.53 N ATOM 1034 CA THR A 68 -15.941 -4.027 2.054 1.00 0.62 C ATOM 1035 C THR A 68 -16.372 -2.911 3.010 1.00 0.64 C ATOM 1036 O THR A 68 -17.545 -2.680 3.222 1.00 0.86 O ATOM 1037 CB THR A 68 -15.885 -5.369 2.784 1.00 0.66 C ATOM 1038 OG1 THR A 68 -14.651 -5.476 3.480 1.00 1.29 O ATOM 1039 CG2 THR A 68 -16.005 -6.508 1.771 1.00 1.35 C ATOM 0 H THR A 68 -13.825 -4.312 2.064 1.00 0.53 H new ATOM 0 HA THR A 68 -16.662 -4.040 1.237 1.00 0.62 H new ATOM 0 HB THR A 68 -16.709 -5.432 3.495 1.00 0.66 H new ATOM 0 HG1 THR A 68 -14.824 -5.580 4.439 1.00 1.29 H new ATOM 0 HG21 THR A 68 -15.965 -7.464 2.292 1.00 1.35 H new ATOM 0 HG22 THR A 68 -16.953 -6.424 1.240 1.00 1.35 H new ATOM 0 HG23 THR A 68 -15.183 -6.449 1.058 1.00 1.35 H new ATOM 1047 N GLU A 69 -15.429 -2.216 3.586 1.00 0.57 N ATOM 1048 CA GLU A 69 -15.781 -1.115 4.527 1.00 0.61 C ATOM 1049 C GLU A 69 -15.487 0.244 3.884 1.00 0.57 C ATOM 1050 O GLU A 69 -16.222 1.197 4.060 1.00 0.66 O ATOM 1051 CB GLU A 69 -14.881 -1.335 5.744 1.00 0.63 C ATOM 1052 CG GLU A 69 -15.577 -0.803 6.997 1.00 0.83 C ATOM 1053 CD GLU A 69 -14.665 -1.002 8.209 1.00 1.50 C ATOM 1054 OE1 GLU A 69 -13.521 -0.583 8.138 1.00 2.22 O ATOM 1055 OE2 GLU A 69 -15.125 -1.571 9.185 1.00 2.10 O ATOM 0 H GLU A 69 -14.430 -2.363 3.445 1.00 0.57 H new ATOM 0 HA GLU A 69 -16.838 -1.120 4.793 1.00 0.61 H new ATOM 0 HB2 GLU A 69 -14.662 -2.396 5.860 1.00 0.63 H new ATOM 0 HB3 GLU A 69 -13.928 -0.826 5.601 1.00 0.63 H new ATOM 0 HG2 GLU A 69 -15.812 0.254 6.875 1.00 0.83 H new ATOM 0 HG3 GLU A 69 -16.522 -1.324 7.150 1.00 0.83 H new ATOM 1062 N GLU A 70 -14.421 0.340 3.139 1.00 0.52 N ATOM 1063 CA GLU A 70 -14.080 1.636 2.485 1.00 0.57 C ATOM 1064 C GLU A 70 -14.025 1.461 0.964 1.00 0.72 C ATOM 1065 O GLU A 70 -13.042 1.784 0.326 1.00 1.34 O ATOM 1066 CB GLU A 70 -12.702 2.010 3.032 1.00 0.71 C ATOM 1067 CG GLU A 70 -12.749 2.034 4.562 1.00 1.05 C ATOM 1068 CD GLU A 70 -11.942 0.859 5.117 1.00 1.37 C ATOM 1069 OE1 GLU A 70 -11.894 -0.166 4.457 1.00 1.89 O ATOM 1070 OE2 GLU A 70 -11.383 1.006 6.191 1.00 1.97 O ATOM 0 H GLU A 70 -13.770 -0.423 2.954 1.00 0.52 H new ATOM 0 HA GLU A 70 -14.821 2.409 2.690 1.00 0.57 H new ATOM 0 HB2 GLU A 70 -11.957 1.291 2.692 1.00 0.71 H new ATOM 0 HB3 GLU A 70 -12.401 2.986 2.652 1.00 0.71 H new ATOM 0 HG2 GLU A 70 -12.344 2.975 4.934 1.00 1.05 H new ATOM 0 HG3 GLU A 70 -13.782 1.974 4.905 1.00 1.05 H new ATOM 1077 N SER A 71 -15.076 0.952 0.379 1.00 0.55 N ATOM 1078 CA SER A 71 -15.087 0.753 -1.100 1.00 0.66 C ATOM 1079 C SER A 71 -15.261 2.095 -1.824 1.00 0.70 C ATOM 1080 O SER A 71 -15.044 2.196 -3.015 1.00 0.94 O ATOM 1081 CB SER A 71 -16.289 -0.154 -1.362 1.00 0.79 C ATOM 1082 OG SER A 71 -15.933 -1.135 -2.329 1.00 1.48 O ATOM 0 H SER A 71 -15.928 0.665 0.861 1.00 0.55 H new ATOM 0 HA SER A 71 -14.155 0.320 -1.463 1.00 0.66 H new ATOM 0 HB2 SER A 71 -16.605 -0.636 -0.437 1.00 0.79 H new ATOM 0 HB3 SER A 71 -17.134 0.436 -1.718 1.00 0.79 H new ATOM 0 HG SER A 71 -15.563 -1.922 -1.876 1.00 1.48 H new ATOM 1088 N ASP A 72 -15.654 3.122 -1.119 1.00 0.67 N ATOM 1089 CA ASP A 72 -15.841 4.448 -1.776 1.00 0.71 C ATOM 1090 C ASP A 72 -14.525 4.933 -2.389 1.00 0.68 C ATOM 1091 O ASP A 72 -14.510 5.606 -3.400 1.00 0.77 O ATOM 1092 CB ASP A 72 -16.285 5.386 -0.655 1.00 0.78 C ATOM 1093 CG ASP A 72 -17.806 5.320 -0.506 1.00 1.08 C ATOM 1094 OD1 ASP A 72 -18.323 4.222 -0.379 1.00 1.57 O ATOM 1095 OD2 ASP A 72 -18.429 6.369 -0.523 1.00 1.83 O ATOM 0 H ASP A 72 -15.853 3.100 -0.119 1.00 0.67 H new ATOM 0 HA ASP A 72 -16.568 4.404 -2.587 1.00 0.71 H new ATOM 0 HB2 ASP A 72 -15.805 5.103 0.282 1.00 0.78 H new ATOM 0 HB3 ASP A 72 -15.975 6.407 -0.877 1.00 0.78 H new ATOM 1100 N LEU A 73 -13.422 4.598 -1.783 1.00 0.63 N ATOM 1101 CA LEU A 73 -12.106 5.043 -2.329 1.00 0.68 C ATOM 1102 C LEU A 73 -11.645 4.091 -3.434 1.00 0.60 C ATOM 1103 O LEU A 73 -11.055 4.499 -4.413 1.00 0.64 O ATOM 1104 CB LEU A 73 -11.146 4.993 -1.140 1.00 0.83 C ATOM 1105 CG LEU A 73 -11.708 5.839 0.008 1.00 0.79 C ATOM 1106 CD1 LEU A 73 -11.850 4.969 1.258 1.00 1.22 C ATOM 1107 CD2 LEU A 73 -10.763 7.006 0.302 1.00 0.97 C ATOM 0 H LEU A 73 -13.372 4.036 -0.933 1.00 0.63 H new ATOM 0 HA LEU A 73 -12.156 6.039 -2.769 1.00 0.68 H new ATOM 0 HB2 LEU A 73 -11.009 3.962 -0.813 1.00 0.83 H new ATOM 0 HB3 LEU A 73 -10.165 5.367 -1.435 1.00 0.83 H new ATOM 0 HG LEU A 73 -12.684 6.231 -0.277 1.00 0.79 H new ATOM 0 HD11 LEU A 73 -12.250 5.569 2.076 1.00 1.22 H new ATOM 0 HD12 LEU A 73 -12.528 4.141 1.050 1.00 1.22 H new ATOM 0 HD13 LEU A 73 -10.873 4.576 1.540 1.00 1.22 H new ATOM 0 HD21 LEU A 73 -11.167 7.604 1.119 1.00 0.97 H new ATOM 0 HD22 LEU A 73 -9.784 6.619 0.585 1.00 0.97 H new ATOM 0 HD23 LEU A 73 -10.664 7.627 -0.588 1.00 0.97 H new ATOM 1119 N ALA A 74 -11.913 2.825 -3.283 1.00 0.57 N ATOM 1120 CA ALA A 74 -11.493 1.843 -4.324 1.00 0.56 C ATOM 1121 C ALA A 74 -12.311 2.050 -5.600 1.00 0.59 C ATOM 1122 O ALA A 74 -11.875 1.729 -6.688 1.00 0.65 O ATOM 1123 CB ALA A 74 -11.783 0.473 -3.711 1.00 0.60 C ATOM 0 H ALA A 74 -12.405 2.426 -2.484 1.00 0.57 H new ATOM 0 HA ALA A 74 -10.444 1.950 -4.600 1.00 0.56 H new ATOM 0 HB1 ALA A 74 -11.501 -0.308 -4.417 1.00 0.60 H new ATOM 0 HB2 ALA A 74 -11.209 0.357 -2.792 1.00 0.60 H new ATOM 0 HB3 ALA A 74 -12.847 0.393 -3.487 1.00 0.60 H new ATOM 1129 N GLN A 75 -13.492 2.591 -5.477 1.00 0.64 N ATOM 1130 CA GLN A 75 -14.334 2.825 -6.685 1.00 0.76 C ATOM 1131 C GLN A 75 -13.781 4.006 -7.486 1.00 0.78 C ATOM 1132 O GLN A 75 -13.849 4.035 -8.698 1.00 0.86 O ATOM 1133 CB GLN A 75 -15.723 3.151 -6.138 1.00 0.87 C ATOM 1134 CG GLN A 75 -16.780 2.829 -7.195 1.00 1.42 C ATOM 1135 CD GLN A 75 -16.515 3.657 -8.453 1.00 1.83 C ATOM 1136 OE1 GLN A 75 -16.219 4.833 -8.369 1.00 2.35 O ATOM 1137 NE2 GLN A 75 -16.609 3.091 -9.624 1.00 2.40 N ATOM 0 H GLN A 75 -13.910 2.881 -4.593 1.00 0.64 H new ATOM 0 HA GLN A 75 -14.352 1.965 -7.355 1.00 0.76 H new ATOM 0 HB2 GLN A 75 -15.913 2.575 -5.232 1.00 0.87 H new ATOM 0 HB3 GLN A 75 -15.778 4.204 -5.863 1.00 0.87 H new ATOM 0 HG2 GLN A 75 -16.757 1.766 -7.435 1.00 1.42 H new ATOM 0 HG3 GLN A 75 -17.775 3.046 -6.807 1.00 1.42 H new ATOM 0 HE21 GLN A 75 -16.857 2.104 -9.695 1.00 2.40 H new ATOM 0 HE22 GLN A 75 -16.434 3.635 -10.469 1.00 2.40 H new ATOM 1146 N GLN A 76 -13.239 4.983 -6.812 1.00 0.76 N ATOM 1147 CA GLN A 76 -12.684 6.167 -7.527 1.00 0.84 C ATOM 1148 C GLN A 76 -11.451 5.774 -8.345 1.00 0.83 C ATOM 1149 O GLN A 76 -11.112 6.420 -9.316 1.00 0.94 O ATOM 1150 CB GLN A 76 -12.303 7.152 -6.422 1.00 0.89 C ATOM 1151 CG GLN A 76 -13.423 8.179 -6.249 1.00 1.14 C ATOM 1152 CD GLN A 76 -13.023 9.195 -5.177 1.00 1.49 C ATOM 1153 OE1 GLN A 76 -12.699 10.324 -5.484 1.00 2.20 O ATOM 1154 NE2 GLN A 76 -13.031 8.838 -3.921 1.00 1.97 N ATOM 0 H GLN A 76 -13.156 5.012 -5.796 1.00 0.76 H new ATOM 0 HA GLN A 76 -13.400 6.594 -8.229 1.00 0.84 H new ATOM 0 HB2 GLN A 76 -12.136 6.619 -5.486 1.00 0.89 H new ATOM 0 HB3 GLN A 76 -11.369 7.655 -6.674 1.00 0.89 H new ATOM 0 HG2 GLN A 76 -13.614 8.688 -7.194 1.00 1.14 H new ATOM 0 HG3 GLN A 76 -14.349 7.679 -5.964 1.00 1.14 H new ATOM 0 HE21 GLN A 76 -13.303 7.890 -3.662 1.00 1.97 H new ATOM 0 HE22 GLN A 76 -12.765 9.507 -3.199 1.00 1.97 H new ATOM 1163 N TYR A 77 -10.777 4.724 -7.965 1.00 0.74 N ATOM 1164 CA TYR A 77 -9.571 4.302 -8.729 1.00 0.81 C ATOM 1165 C TYR A 77 -9.957 3.256 -9.774 1.00 0.83 C ATOM 1166 O TYR A 77 -9.361 3.163 -10.829 1.00 1.00 O ATOM 1167 CB TYR A 77 -8.636 3.696 -7.684 1.00 0.80 C ATOM 1168 CG TYR A 77 -8.020 4.799 -6.857 1.00 0.81 C ATOM 1169 CD1 TYR A 77 -7.299 5.824 -7.481 1.00 1.42 C ATOM 1170 CD2 TYR A 77 -8.170 4.797 -5.466 1.00 1.18 C ATOM 1171 CE1 TYR A 77 -6.728 6.845 -6.714 1.00 1.56 C ATOM 1172 CE2 TYR A 77 -7.600 5.818 -4.697 1.00 1.19 C ATOM 1173 CZ TYR A 77 -6.879 6.843 -5.322 1.00 1.05 C ATOM 1174 OH TYR A 77 -6.316 7.851 -4.566 1.00 1.22 O ATOM 0 H TYR A 77 -11.009 4.142 -7.160 1.00 0.74 H new ATOM 0 HA TYR A 77 -9.103 5.130 -9.262 1.00 0.81 H new ATOM 0 HB2 TYR A 77 -9.188 3.010 -7.041 1.00 0.80 H new ATOM 0 HB3 TYR A 77 -7.855 3.115 -8.174 1.00 0.80 H new ATOM 0 HD1 TYR A 77 -7.184 5.826 -8.555 1.00 1.42 H new ATOM 0 HD2 TYR A 77 -8.727 4.006 -4.985 1.00 1.18 H new ATOM 0 HE1 TYR A 77 -6.171 7.635 -7.196 1.00 1.56 H new ATOM 0 HE2 TYR A 77 -7.716 5.815 -3.623 1.00 1.19 H new ATOM 0 HH TYR A 77 -5.605 8.287 -5.080 1.00 1.22 H new ATOM 1184 N GLY A 78 -10.950 2.466 -9.483 1.00 0.78 N ATOM 1185 CA GLY A 78 -11.382 1.417 -10.446 1.00 0.87 C ATOM 1186 C GLY A 78 -11.488 0.092 -9.701 1.00 0.88 C ATOM 1187 O GLY A 78 -12.567 -0.419 -9.474 1.00 1.52 O ATOM 0 H GLY A 78 -11.484 2.502 -8.615 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -12.343 1.681 -10.888 1.00 0.87 H new ATOM 0 HA3 GLY A 78 -10.666 1.336 -11.264 1.00 0.87 H new ATOM 1191 N VAL A 79 -10.373 -0.456 -9.298 1.00 0.80 N ATOM 1192 CA VAL A 79 -10.391 -1.743 -8.541 1.00 0.79 C ATOM 1193 C VAL A 79 -11.326 -2.762 -9.201 1.00 1.13 C ATOM 1194 O VAL A 79 -12.515 -2.782 -8.949 1.00 1.54 O ATOM 1195 CB VAL A 79 -10.907 -1.355 -7.158 1.00 0.76 C ATOM 1196 CG1 VAL A 79 -11.028 -2.604 -6.290 1.00 1.30 C ATOM 1197 CG2 VAL A 79 -9.928 -0.373 -6.513 1.00 0.72 C ATOM 0 H VAL A 79 -9.445 -0.066 -9.461 1.00 0.80 H new ATOM 0 HA VAL A 79 -9.410 -2.216 -8.508 1.00 0.79 H new ATOM 0 HB VAL A 79 -11.886 -0.886 -7.250 1.00 0.76 H new ATOM 0 HG11 VAL A 79 -11.396 -2.326 -5.302 1.00 1.30 H new ATOM 0 HG12 VAL A 79 -11.724 -3.303 -6.754 1.00 1.30 H new ATOM 0 HG13 VAL A 79 -10.050 -3.076 -6.193 1.00 1.30 H new ATOM 0 HG21 VAL A 79 -10.292 -0.093 -5.525 1.00 0.72 H new ATOM 0 HG22 VAL A 79 -8.949 -0.844 -6.419 1.00 0.72 H new ATOM 0 HG23 VAL A 79 -9.844 0.518 -7.135 1.00 0.72 H new ATOM 1207 N ARG A 80 -10.799 -3.611 -10.037 1.00 1.27 N ATOM 1208 CA ARG A 80 -11.660 -4.628 -10.705 1.00 1.72 C ATOM 1209 C ARG A 80 -11.890 -5.822 -9.772 1.00 1.38 C ATOM 1210 O ARG A 80 -12.925 -6.458 -9.807 1.00 1.87 O ATOM 1211 CB ARG A 80 -10.879 -5.056 -11.946 1.00 2.38 C ATOM 1212 CG ARG A 80 -11.363 -4.251 -13.153 1.00 2.85 C ATOM 1213 CD ARG A 80 -12.828 -4.588 -13.439 1.00 3.49 C ATOM 1214 NE ARG A 80 -13.539 -3.280 -13.397 1.00 4.06 N ATOM 1215 CZ ARG A 80 -14.827 -3.244 -13.191 1.00 4.70 C ATOM 1216 NH1 ARG A 80 -15.302 -3.421 -11.988 1.00 5.09 N ATOM 1217 NH2 ARG A 80 -15.641 -3.031 -14.188 1.00 5.25 N ATOM 0 H ARG A 80 -9.811 -3.646 -10.287 1.00 1.27 H new ATOM 0 HA ARG A 80 -12.643 -4.233 -10.961 1.00 1.72 H new ATOM 0 HB2 ARG A 80 -9.812 -4.895 -11.791 1.00 2.38 H new ATOM 0 HB3 ARG A 80 -11.017 -6.122 -12.127 1.00 2.38 H new ATOM 0 HG2 ARG A 80 -11.256 -3.184 -12.958 1.00 2.85 H new ATOM 0 HG3 ARG A 80 -10.750 -4.479 -14.025 1.00 2.85 H new ATOM 0 HD2 ARG A 80 -12.940 -5.067 -14.412 1.00 3.49 H new ATOM 0 HD3 ARG A 80 -13.227 -5.278 -12.696 1.00 3.49 H new ATOM 0 HE ARG A 80 -13.019 -2.412 -13.529 1.00 4.06 H new ATOM 0 HH11 ARG A 80 -14.666 -3.588 -11.208 1.00 5.09 H new ATOM 0 HH12 ARG A 80 -16.309 -3.393 -11.828 1.00 5.09 H new ATOM 0 HH21 ARG A 80 -15.271 -2.893 -15.128 1.00 5.25 H new ATOM 0 HH22 ARG A 80 -16.648 -3.003 -14.027 1.00 5.25 H new ATOM 1231 N GLY A 81 -10.935 -6.128 -8.937 1.00 0.87 N ATOM 1232 CA GLY A 81 -11.101 -7.278 -8.003 1.00 0.81 C ATOM 1233 C GLY A 81 -9.955 -7.282 -6.989 1.00 0.74 C ATOM 1234 O GLY A 81 -8.842 -6.903 -7.294 1.00 1.17 O ATOM 0 H GLY A 81 -10.047 -5.632 -8.861 1.00 0.87 H new ATOM 0 HA2 GLY A 81 -12.058 -7.205 -7.486 1.00 0.81 H new ATOM 0 HA3 GLY A 81 -11.111 -8.215 -8.561 1.00 0.81 H new ATOM 1238 N TYR A 82 -10.219 -7.705 -5.782 1.00 0.61 N ATOM 1239 CA TYR A 82 -9.144 -7.731 -4.747 1.00 0.52 C ATOM 1240 C TYR A 82 -8.248 -8.966 -4.956 1.00 0.54 C ATOM 1241 O TYR A 82 -8.684 -9.933 -5.548 1.00 0.61 O ATOM 1242 CB TYR A 82 -9.860 -7.825 -3.385 1.00 0.59 C ATOM 1243 CG TYR A 82 -11.076 -6.921 -3.347 1.00 0.61 C ATOM 1244 CD1 TYR A 82 -10.981 -5.606 -3.818 1.00 0.64 C ATOM 1245 CD2 TYR A 82 -12.291 -7.397 -2.840 1.00 0.97 C ATOM 1246 CE1 TYR A 82 -12.100 -4.766 -3.781 1.00 0.68 C ATOM 1247 CE2 TYR A 82 -13.411 -6.557 -2.804 1.00 1.04 C ATOM 1248 CZ TYR A 82 -13.330 -5.262 -3.280 1.00 0.75 C ATOM 1249 OH TYR A 82 -14.418 -4.413 -3.238 1.00 0.85 O ATOM 0 H TYR A 82 -11.132 -8.034 -5.468 1.00 0.61 H new ATOM 0 HA TYR A 82 -8.512 -6.845 -4.804 1.00 0.52 H new ATOM 0 HB2 TYR A 82 -10.163 -8.856 -3.200 1.00 0.59 H new ATOM 0 HB3 TYR A 82 -9.171 -7.547 -2.588 1.00 0.59 H new ATOM 0 HD1 TYR A 82 -10.044 -5.240 -4.210 1.00 0.64 H new ATOM 0 HD2 TYR A 82 -12.365 -8.411 -2.477 1.00 0.97 H new ATOM 0 HE1 TYR A 82 -12.027 -3.747 -4.132 1.00 0.68 H new ATOM 0 HE2 TYR A 82 -14.344 -6.923 -2.402 1.00 1.04 H new ATOM 0 HH TYR A 82 -15.192 -4.891 -2.872 1.00 0.85 H new ATOM 1259 N PRO A 83 -7.022 -8.910 -4.471 1.00 0.54 N ATOM 1260 CA PRO A 83 -6.498 -7.722 -3.748 1.00 0.51 C ATOM 1261 C PRO A 83 -5.952 -6.692 -4.743 1.00 0.51 C ATOM 1262 O PRO A 83 -5.245 -7.031 -5.671 1.00 0.63 O ATOM 1263 CB PRO A 83 -5.368 -8.294 -2.901 1.00 0.59 C ATOM 1264 CG PRO A 83 -4.912 -9.532 -3.620 1.00 0.66 C ATOM 1265 CD PRO A 83 -6.015 -9.970 -4.557 1.00 0.64 C ATOM 0 HA PRO A 83 -7.257 -7.210 -3.157 1.00 0.51 H new ATOM 0 HB2 PRO A 83 -4.553 -7.577 -2.799 1.00 0.59 H new ATOM 0 HB3 PRO A 83 -5.713 -8.530 -1.894 1.00 0.59 H new ATOM 0 HG2 PRO A 83 -3.997 -9.332 -4.178 1.00 0.66 H new ATOM 0 HG3 PRO A 83 -4.684 -10.323 -2.906 1.00 0.66 H new ATOM 0 HD2 PRO A 83 -5.646 -10.083 -5.576 1.00 0.64 H new ATOM 0 HD3 PRO A 83 -6.428 -10.933 -4.258 1.00 0.64 H new ATOM 1273 N THR A 84 -6.267 -5.441 -4.555 1.00 0.45 N ATOM 1274 CA THR A 84 -5.757 -4.397 -5.489 1.00 0.45 C ATOM 1275 C THR A 84 -4.758 -3.491 -4.766 1.00 0.43 C ATOM 1276 O THR A 84 -4.986 -3.066 -3.651 1.00 0.52 O ATOM 1277 CB THR A 84 -6.993 -3.605 -5.916 1.00 0.48 C ATOM 1278 OG1 THR A 84 -8.098 -4.488 -6.045 1.00 0.67 O ATOM 1279 CG2 THR A 84 -6.725 -2.920 -7.258 1.00 0.56 C ATOM 0 H THR A 84 -6.855 -5.096 -3.796 1.00 0.45 H new ATOM 0 HA THR A 84 -5.237 -4.825 -6.346 1.00 0.45 H new ATOM 0 HB THR A 84 -7.218 -2.849 -5.164 1.00 0.48 H new ATOM 0 HG1 THR A 84 -7.851 -5.239 -6.624 1.00 0.67 H new ATOM 0 HG21 THR A 84 -7.607 -2.356 -7.561 1.00 0.56 H new ATOM 0 HG22 THR A 84 -5.877 -2.242 -7.158 1.00 0.56 H new ATOM 0 HG23 THR A 84 -6.499 -3.674 -8.013 1.00 0.56 H new ATOM 1287 N ILE A 85 -3.649 -3.194 -5.388 1.00 0.41 N ATOM 1288 CA ILE A 85 -2.638 -2.319 -4.727 1.00 0.41 C ATOM 1289 C ILE A 85 -2.329 -1.102 -5.604 1.00 0.41 C ATOM 1290 O ILE A 85 -2.331 -1.180 -6.816 1.00 0.54 O ATOM 1291 CB ILE A 85 -1.394 -3.194 -4.576 1.00 0.50 C ATOM 1292 CG1 ILE A 85 -1.734 -4.422 -3.730 1.00 0.89 C ATOM 1293 CG2 ILE A 85 -0.287 -2.392 -3.889 1.00 0.80 C ATOM 1294 CD1 ILE A 85 -2.297 -5.523 -4.631 1.00 1.27 C ATOM 0 H ILE A 85 -3.400 -3.518 -6.322 1.00 0.41 H new ATOM 0 HA ILE A 85 -2.991 -1.938 -3.769 1.00 0.41 H new ATOM 0 HB ILE A 85 -1.053 -3.514 -5.561 1.00 0.50 H new ATOM 0 HG12 ILE A 85 -0.843 -4.780 -3.215 1.00 0.89 H new ATOM 0 HG13 ILE A 85 -2.462 -4.158 -2.963 1.00 0.89 H new ATOM 0 HG21 ILE A 85 0.601 -3.015 -3.781 1.00 0.80 H new ATOM 0 HG22 ILE A 85 -0.044 -1.517 -4.492 1.00 0.80 H new ATOM 0 HG23 ILE A 85 -0.627 -2.072 -2.904 1.00 0.80 H new ATOM 0 HD11 ILE A 85 -2.539 -6.398 -4.028 1.00 1.27 H new ATOM 0 HD12 ILE A 85 -3.199 -5.162 -5.126 1.00 1.27 H new ATOM 0 HD13 ILE A 85 -1.555 -5.794 -5.382 1.00 1.27 H new ATOM 1306 N LYS A 86 -2.058 0.019 -4.995 1.00 0.37 N ATOM 1307 CA LYS A 86 -1.740 1.242 -5.786 1.00 0.40 C ATOM 1308 C LYS A 86 -0.666 2.063 -5.067 1.00 0.38 C ATOM 1309 O LYS A 86 -0.586 2.069 -3.854 1.00 0.49 O ATOM 1310 CB LYS A 86 -3.052 2.023 -5.861 1.00 0.48 C ATOM 1311 CG LYS A 86 -3.226 2.595 -7.270 1.00 0.94 C ATOM 1312 CD LYS A 86 -4.409 1.911 -7.959 1.00 1.03 C ATOM 1313 CE LYS A 86 -4.706 2.616 -9.283 1.00 1.37 C ATOM 1314 NZ LYS A 86 -4.767 1.522 -10.293 1.00 1.73 N ATOM 0 H LYS A 86 -2.043 0.142 -3.983 1.00 0.37 H new ATOM 0 HA LYS A 86 -1.354 1.006 -6.778 1.00 0.40 H new ATOM 0 HB2 LYS A 86 -3.890 1.371 -5.616 1.00 0.48 H new ATOM 0 HB3 LYS A 86 -3.050 2.829 -5.127 1.00 0.48 H new ATOM 0 HG2 LYS A 86 -3.394 3.671 -7.219 1.00 0.94 H new ATOM 0 HG3 LYS A 86 -2.316 2.442 -7.850 1.00 0.94 H new ATOM 0 HD2 LYS A 86 -4.181 0.860 -8.138 1.00 1.03 H new ATOM 0 HD3 LYS A 86 -5.287 1.942 -7.314 1.00 1.03 H new ATOM 0 HE2 LYS A 86 -5.647 3.164 -9.237 1.00 1.37 H new ATOM 0 HE3 LYS A 86 -3.928 3.339 -9.529 1.00 1.37 H new ATOM 0 HZ1 LYS A 86 -4.968 1.926 -11.230 1.00 1.73 H new ATOM 0 HZ2 LYS A 86 -3.855 1.022 -10.319 1.00 1.73 H new ATOM 0 HZ3 LYS A 86 -5.521 0.853 -10.035 1.00 1.73 H new ATOM 1328 N PHE A 87 0.157 2.755 -5.803 1.00 0.37 N ATOM 1329 CA PHE A 87 1.224 3.572 -5.158 1.00 0.36 C ATOM 1330 C PHE A 87 0.889 5.064 -5.284 1.00 0.33 C ATOM 1331 O PHE A 87 0.735 5.585 -6.371 1.00 0.37 O ATOM 1332 CB PHE A 87 2.504 3.226 -5.932 1.00 0.42 C ATOM 1333 CG PHE A 87 3.617 4.179 -5.554 1.00 0.46 C ATOM 1334 CD1 PHE A 87 3.877 4.451 -4.206 1.00 0.44 C ATOM 1335 CD2 PHE A 87 4.391 4.786 -6.552 1.00 0.81 C ATOM 1336 CE1 PHE A 87 4.910 5.328 -3.854 1.00 0.46 C ATOM 1337 CE2 PHE A 87 5.423 5.664 -6.200 1.00 0.97 C ATOM 1338 CZ PHE A 87 5.671 5.952 -4.859 1.00 0.72 C ATOM 0 H PHE A 87 0.138 2.791 -6.822 1.00 0.37 H new ATOM 0 HA PHE A 87 1.329 3.364 -4.093 1.00 0.36 H new ATOM 0 HB2 PHE A 87 2.804 2.201 -5.714 1.00 0.42 H new ATOM 0 HB3 PHE A 87 2.316 3.282 -7.004 1.00 0.42 H new ATOM 0 HD1 PHE A 87 3.280 3.984 -3.437 1.00 0.44 H new ATOM 0 HD2 PHE A 87 4.191 4.577 -7.593 1.00 0.81 H new ATOM 0 HE1 PHE A 87 5.122 5.525 -2.813 1.00 0.46 H new ATOM 0 HE2 PHE A 87 6.029 6.119 -6.970 1.00 0.97 H new ATOM 0 HZ PHE A 87 6.447 6.654 -4.592 1.00 0.72 H new ATOM 1348 N PHE A 88 0.778 5.752 -4.180 1.00 0.33 N ATOM 1349 CA PHE A 88 0.458 7.202 -4.233 1.00 0.35 C ATOM 1350 C PHE A 88 1.619 8.015 -3.653 1.00 0.42 C ATOM 1351 O PHE A 88 2.089 7.749 -2.564 1.00 0.61 O ATOM 1352 CB PHE A 88 -0.788 7.346 -3.365 1.00 0.39 C ATOM 1353 CG PHE A 88 -1.971 6.740 -4.082 1.00 0.42 C ATOM 1354 CD1 PHE A 88 -2.437 7.317 -5.269 1.00 0.54 C ATOM 1355 CD2 PHE A 88 -2.602 5.606 -3.559 1.00 0.63 C ATOM 1356 CE1 PHE A 88 -3.536 6.759 -5.935 1.00 0.62 C ATOM 1357 CE2 PHE A 88 -3.701 5.047 -4.224 1.00 0.73 C ATOM 1358 CZ PHE A 88 -4.161 5.611 -5.413 1.00 0.62 C ATOM 0 H PHE A 88 0.896 5.369 -3.242 1.00 0.33 H new ATOM 0 HA PHE A 88 0.296 7.564 -5.248 1.00 0.35 H new ATOM 0 HB2 PHE A 88 -0.636 6.850 -2.406 1.00 0.39 H new ATOM 0 HB3 PHE A 88 -0.977 8.398 -3.153 1.00 0.39 H new ATOM 0 HD1 PHE A 88 -1.949 8.192 -5.672 1.00 0.54 H new ATOM 0 HD2 PHE A 88 -2.242 5.162 -2.643 1.00 0.63 H new ATOM 0 HE1 PHE A 88 -3.902 7.208 -6.846 1.00 0.62 H new ATOM 0 HE2 PHE A 88 -4.193 4.177 -3.815 1.00 0.73 H new ATOM 0 HZ PHE A 88 -4.997 5.167 -5.933 1.00 0.62 H new ATOM 1368 N ARG A 89 2.091 9.000 -4.368 1.00 0.47 N ATOM 1369 CA ARG A 89 3.225 9.814 -3.846 1.00 0.55 C ATOM 1370 C ARG A 89 2.822 11.287 -3.710 1.00 0.64 C ATOM 1371 O ARG A 89 2.299 11.886 -4.627 1.00 1.05 O ATOM 1372 CB ARG A 89 4.339 9.656 -4.881 1.00 0.73 C ATOM 1373 CG ARG A 89 5.534 10.523 -4.478 1.00 1.15 C ATOM 1374 CD ARG A 89 5.889 11.471 -5.626 1.00 1.42 C ATOM 1375 NE ARG A 89 6.569 10.613 -6.634 1.00 1.73 N ATOM 1376 CZ ARG A 89 7.545 11.098 -7.351 1.00 2.07 C ATOM 1377 NH1 ARG A 89 8.590 11.616 -6.765 1.00 2.43 N ATOM 1378 NH2 ARG A 89 7.477 11.066 -8.654 1.00 2.56 N ATOM 0 H ARG A 89 1.742 9.275 -5.286 1.00 0.47 H new ATOM 0 HA ARG A 89 3.537 9.485 -2.855 1.00 0.55 H new ATOM 0 HB2 ARG A 89 4.641 8.611 -4.950 1.00 0.73 H new ATOM 0 HB3 ARG A 89 3.979 9.950 -5.867 1.00 0.73 H new ATOM 0 HG2 ARG A 89 5.296 11.095 -3.581 1.00 1.15 H new ATOM 0 HG3 ARG A 89 6.389 9.892 -4.236 1.00 1.15 H new ATOM 0 HD2 ARG A 89 4.997 11.939 -6.043 1.00 1.42 H new ATOM 0 HD3 ARG A 89 6.542 12.275 -5.287 1.00 1.42 H new ATOM 0 HE ARG A 89 6.272 9.646 -6.764 1.00 1.73 H new ATOM 0 HH11 ARG A 89 8.643 11.641 -5.747 1.00 2.43 H new ATOM 0 HH12 ARG A 89 9.353 11.995 -7.325 1.00 2.43 H new ATOM 0 HH21 ARG A 89 6.660 10.662 -9.112 1.00 2.56 H new ATOM 0 HH22 ARG A 89 8.240 11.445 -9.214 1.00 2.56 H new ATOM 1392 N ASN A 90 3.075 11.870 -2.569 1.00 0.57 N ATOM 1393 CA ASN A 90 2.725 13.306 -2.357 1.00 0.68 C ATOM 1394 C ASN A 90 1.245 13.566 -2.655 1.00 0.69 C ATOM 1395 O ASN A 90 0.886 14.010 -3.728 1.00 0.98 O ATOM 1396 CB ASN A 90 3.609 14.078 -3.335 1.00 0.87 C ATOM 1397 CG ASN A 90 3.312 15.574 -3.215 1.00 1.10 C ATOM 1398 OD1 ASN A 90 3.629 16.190 -2.216 1.00 1.65 O ATOM 1399 ND2 ASN A 90 2.712 16.188 -4.196 1.00 1.74 N ATOM 0 H ASN A 90 3.512 11.411 -1.770 1.00 0.57 H new ATOM 0 HA ASN A 90 2.887 13.610 -1.323 1.00 0.68 H new ATOM 0 HB2 ASN A 90 4.661 13.886 -3.121 1.00 0.87 H new ATOM 0 HB3 ASN A 90 3.424 13.740 -4.355 1.00 0.87 H new ATOM 0 HD21 ASN A 90 2.509 17.185 -4.125 1.00 1.74 H new ATOM 0 HD22 ASN A 90 2.446 15.671 -5.034 1.00 1.74 H new ATOM 1406 N GLY A 91 0.385 13.309 -1.704 1.00 0.65 N ATOM 1407 CA GLY A 91 -1.076 13.554 -1.912 1.00 0.75 C ATOM 1408 C GLY A 91 -1.535 12.983 -3.255 1.00 0.79 C ATOM 1409 O GLY A 91 -1.823 13.710 -4.183 1.00 1.19 O ATOM 0 H GLY A 91 0.632 12.938 -0.787 1.00 0.65 H new ATOM 0 HA2 GLY A 91 -1.645 13.096 -1.103 1.00 0.75 H new ATOM 0 HA3 GLY A 91 -1.279 14.624 -1.878 1.00 0.75 H new ATOM 1413 N ASP A 92 -1.615 11.686 -3.359 1.00 0.90 N ATOM 1414 CA ASP A 92 -2.066 11.056 -4.638 1.00 1.27 C ATOM 1415 C ASP A 92 -1.335 11.670 -5.837 1.00 1.14 C ATOM 1416 O ASP A 92 -1.830 12.570 -6.484 1.00 1.70 O ATOM 1417 CB ASP A 92 -3.562 11.358 -4.718 1.00 1.93 C ATOM 1418 CG ASP A 92 -4.163 10.643 -5.929 1.00 2.15 C ATOM 1419 OD1 ASP A 92 -4.273 9.428 -5.881 1.00 2.68 O ATOM 1420 OD2 ASP A 92 -4.502 11.321 -6.885 1.00 2.41 O ATOM 0 H ASP A 92 -1.387 11.030 -2.612 1.00 0.90 H new ATOM 0 HA ASP A 92 -1.856 9.987 -4.660 1.00 1.27 H new ATOM 0 HB2 ASP A 92 -4.059 11.030 -3.805 1.00 1.93 H new ATOM 0 HB3 ASP A 92 -3.723 12.433 -4.800 1.00 1.93 H new ATOM 1425 N THR A 93 -0.161 11.187 -6.138 1.00 0.96 N ATOM 1426 CA THR A 93 0.600 11.740 -7.297 1.00 1.33 C ATOM 1427 C THR A 93 -0.282 11.763 -8.550 1.00 1.26 C ATOM 1428 O THR A 93 -1.094 10.884 -8.765 1.00 1.90 O ATOM 1429 CB THR A 93 1.777 10.782 -7.490 1.00 1.74 C ATOM 1430 OG1 THR A 93 2.535 11.189 -8.620 1.00 2.10 O ATOM 1431 CG2 THR A 93 1.255 9.361 -7.709 1.00 1.92 C ATOM 0 H THR A 93 0.305 10.434 -5.633 1.00 0.96 H new ATOM 0 HA THR A 93 0.930 12.764 -7.122 1.00 1.33 H new ATOM 0 HB THR A 93 2.408 10.800 -6.601 1.00 1.74 H new ATOM 0 HG1 THR A 93 3.291 10.578 -8.744 1.00 2.10 H new ATOM 0 HG21 THR A 93 2.096 8.681 -7.846 1.00 1.92 H new ATOM 0 HG22 THR A 93 0.674 9.049 -6.841 1.00 1.92 H new ATOM 0 HG23 THR A 93 0.622 9.339 -8.596 1.00 1.92 H new ATOM 1439 N ALA A 94 -0.131 12.761 -9.377 1.00 1.18 N ATOM 1440 CA ALA A 94 -0.964 12.836 -10.612 1.00 1.18 C ATOM 1441 C ALA A 94 -0.700 11.620 -11.501 1.00 1.14 C ATOM 1442 O ALA A 94 -1.596 11.086 -12.124 1.00 1.48 O ATOM 1443 CB ALA A 94 -0.523 14.122 -11.313 1.00 1.24 C ATOM 0 H ALA A 94 0.531 13.526 -9.252 1.00 1.18 H new ATOM 0 HA ALA A 94 -2.031 12.841 -10.390 1.00 1.18 H new ATOM 0 HB1 ALA A 94 -1.092 14.248 -12.234 1.00 1.24 H new ATOM 0 HB2 ALA A 94 -0.701 14.974 -10.657 1.00 1.24 H new ATOM 0 HB3 ALA A 94 0.539 14.062 -11.549 1.00 1.24 H new ATOM 1449 N SER A 95 0.524 11.176 -11.562 1.00 1.20 N ATOM 1450 CA SER A 95 0.850 9.991 -12.408 1.00 1.22 C ATOM 1451 C SER A 95 1.246 8.802 -11.522 1.00 0.98 C ATOM 1452 O SER A 95 2.408 8.462 -11.434 1.00 0.98 O ATOM 1453 CB SER A 95 2.031 10.431 -13.272 1.00 1.48 C ATOM 1454 OG SER A 95 2.196 9.520 -14.347 1.00 2.01 O ATOM 0 H SER A 95 1.315 11.582 -11.062 1.00 1.20 H new ATOM 0 HA SER A 95 0.002 9.670 -13.012 1.00 1.22 H new ATOM 0 HB2 SER A 95 1.859 11.436 -13.656 1.00 1.48 H new ATOM 0 HB3 SER A 95 2.940 10.470 -12.672 1.00 1.48 H new ATOM 0 HG SER A 95 2.952 9.803 -14.902 1.00 2.01 H new ATOM 1460 N PRO A 96 0.263 8.209 -10.887 1.00 0.87 N ATOM 1461 CA PRO A 96 0.530 7.050 -9.998 1.00 0.72 C ATOM 1462 C PRO A 96 0.878 5.807 -10.820 1.00 0.65 C ATOM 1463 O PRO A 96 0.703 5.775 -12.023 1.00 0.79 O ATOM 1464 CB PRO A 96 -0.786 6.856 -9.253 1.00 0.79 C ATOM 1465 CG PRO A 96 -1.828 7.447 -10.149 1.00 0.97 C ATOM 1466 CD PRO A 96 -1.167 8.553 -10.928 1.00 1.02 C ATOM 0 HA PRO A 96 1.374 7.215 -9.328 1.00 0.72 H new ATOM 0 HB2 PRO A 96 -0.981 5.800 -9.064 1.00 0.79 H new ATOM 0 HB3 PRO A 96 -0.769 7.356 -8.284 1.00 0.79 H new ATOM 0 HG2 PRO A 96 -2.232 6.690 -10.822 1.00 0.97 H new ATOM 0 HG3 PRO A 96 -2.664 7.833 -9.565 1.00 0.97 H new ATOM 0 HD2 PRO A 96 -1.538 8.597 -11.952 1.00 1.02 H new ATOM 0 HD3 PRO A 96 -1.357 9.527 -10.478 1.00 1.02 H new ATOM 1474 N LYS A 97 1.368 4.784 -10.177 1.00 0.55 N ATOM 1475 CA LYS A 97 1.729 3.539 -10.913 1.00 0.57 C ATOM 1476 C LYS A 97 1.156 2.317 -10.191 1.00 0.53 C ATOM 1477 O LYS A 97 1.269 2.184 -8.988 1.00 0.89 O ATOM 1478 CB LYS A 97 3.257 3.505 -10.898 1.00 0.68 C ATOM 1479 CG LYS A 97 3.791 4.078 -12.212 1.00 0.85 C ATOM 1480 CD LYS A 97 3.744 3.000 -13.296 1.00 1.63 C ATOM 1481 CE LYS A 97 4.618 3.426 -14.478 1.00 2.05 C ATOM 1482 NZ LYS A 97 3.667 4.005 -15.469 1.00 2.61 N ATOM 0 H LYS A 97 1.535 4.756 -9.171 1.00 0.55 H new ATOM 0 HA LYS A 97 1.330 3.524 -11.927 1.00 0.57 H new ATOM 0 HB2 LYS A 97 3.636 4.083 -10.056 1.00 0.68 H new ATOM 0 HB3 LYS A 97 3.608 2.481 -10.766 1.00 0.68 H new ATOM 0 HG2 LYS A 97 3.195 4.939 -12.514 1.00 0.85 H new ATOM 0 HG3 LYS A 97 4.814 4.430 -12.078 1.00 0.85 H new ATOM 0 HD2 LYS A 97 4.095 2.050 -12.894 1.00 1.63 H new ATOM 0 HD3 LYS A 97 2.717 2.846 -13.626 1.00 1.63 H new ATOM 0 HE2 LYS A 97 5.365 4.158 -14.173 1.00 2.05 H new ATOM 0 HE3 LYS A 97 5.157 2.576 -14.897 1.00 2.05 H new ATOM 0 HZ1 LYS A 97 4.191 4.321 -16.310 1.00 2.61 H new ATOM 0 HZ2 LYS A 97 2.972 3.283 -15.746 1.00 2.61 H new ATOM 0 HZ3 LYS A 97 3.174 4.816 -15.044 1.00 2.61 H new ATOM 1496 N GLU A 98 0.542 1.423 -10.915 1.00 0.51 N ATOM 1497 CA GLU A 98 -0.039 0.211 -10.269 1.00 0.48 C ATOM 1498 C GLU A 98 1.072 -0.776 -9.896 1.00 0.45 C ATOM 1499 O GLU A 98 1.970 -1.037 -10.671 1.00 0.61 O ATOM 1500 CB GLU A 98 -0.968 -0.393 -11.323 1.00 0.61 C ATOM 1501 CG GLU A 98 -0.173 -0.694 -12.594 1.00 1.33 C ATOM 1502 CD GLU A 98 -0.239 -2.193 -12.894 1.00 2.10 C ATOM 1503 OE1 GLU A 98 -0.150 -2.968 -11.956 1.00 2.79 O ATOM 1504 OE2 GLU A 98 -0.377 -2.540 -14.055 1.00 2.61 O ATOM 0 H GLU A 98 0.417 1.478 -11.926 1.00 0.51 H new ATOM 0 HA GLU A 98 -0.571 0.448 -9.348 1.00 0.48 H new ATOM 0 HB2 GLU A 98 -1.423 -1.307 -10.941 1.00 0.61 H new ATOM 0 HB3 GLU A 98 -1.781 0.298 -11.545 1.00 0.61 H new ATOM 0 HG2 GLU A 98 -0.578 -0.126 -13.432 1.00 1.33 H new ATOM 0 HG3 GLU A 98 0.864 -0.383 -12.469 1.00 1.33 H new ATOM 1511 N TYR A 99 1.015 -1.325 -8.713 1.00 0.45 N ATOM 1512 CA TYR A 99 2.066 -2.294 -8.286 1.00 0.46 C ATOM 1513 C TYR A 99 1.812 -3.665 -8.925 1.00 0.53 C ATOM 1514 O TYR A 99 0.695 -4.138 -8.984 1.00 0.67 O ATOM 1515 CB TYR A 99 1.933 -2.367 -6.759 1.00 0.52 C ATOM 1516 CG TYR A 99 2.780 -3.496 -6.212 1.00 0.64 C ATOM 1517 CD1 TYR A 99 4.155 -3.307 -6.024 1.00 1.20 C ATOM 1518 CD2 TYR A 99 2.194 -4.726 -5.894 1.00 1.58 C ATOM 1519 CE1 TYR A 99 4.942 -4.346 -5.517 1.00 1.49 C ATOM 1520 CE2 TYR A 99 2.982 -5.767 -5.387 1.00 2.05 C ATOM 1521 CZ TYR A 99 4.341 -5.590 -5.200 1.00 1.70 C ATOM 1522 OH TYR A 99 5.131 -6.606 -4.695 1.00 2.27 O ATOM 0 H TYR A 99 0.286 -1.145 -8.023 1.00 0.45 H new ATOM 0 HA TYR A 99 3.067 -1.989 -8.592 1.00 0.46 H new ATOM 0 HB2 TYR A 99 2.244 -1.422 -6.314 1.00 0.52 H new ATOM 0 HB3 TYR A 99 0.889 -2.520 -6.485 1.00 0.52 H new ATOM 0 HD1 TYR A 99 4.608 -2.358 -6.271 1.00 1.20 H new ATOM 0 HD2 TYR A 99 1.134 -4.873 -6.039 1.00 1.58 H new ATOM 0 HE1 TYR A 99 6.002 -4.201 -5.368 1.00 1.49 H new ATOM 0 HE2 TYR A 99 2.525 -6.714 -5.140 1.00 2.05 H new ATOM 0 HH TYR A 99 5.996 -6.607 -5.155 1.00 2.27 H new ATOM 1532 N THR A 100 2.847 -4.305 -9.395 1.00 0.60 N ATOM 1533 CA THR A 100 2.672 -5.648 -10.019 1.00 0.72 C ATOM 1534 C THR A 100 3.280 -6.720 -9.112 1.00 0.83 C ATOM 1535 O THR A 100 3.437 -6.521 -7.924 1.00 1.71 O ATOM 1536 CB THR A 100 3.428 -5.582 -11.351 1.00 0.93 C ATOM 1537 OG1 THR A 100 4.822 -5.491 -11.100 1.00 1.36 O ATOM 1538 CG2 THR A 100 2.969 -4.359 -12.151 1.00 1.13 C ATOM 0 H THR A 100 3.806 -3.957 -9.374 1.00 0.60 H new ATOM 0 HA THR A 100 1.622 -5.901 -10.167 1.00 0.72 H new ATOM 0 HB THR A 100 3.220 -6.484 -11.927 1.00 0.93 H new ATOM 0 HG1 THR A 100 5.037 -4.595 -10.767 1.00 1.36 H new ATOM 0 HG21 THR A 100 3.510 -4.318 -13.096 1.00 1.13 H new ATOM 0 HG22 THR A 100 1.900 -4.434 -12.348 1.00 1.13 H new ATOM 0 HG23 THR A 100 3.170 -3.453 -11.579 1.00 1.13 H new ATOM 1546 N ALA A 101 3.624 -7.854 -9.657 1.00 0.83 N ATOM 1547 CA ALA A 101 4.223 -8.931 -8.817 1.00 1.01 C ATOM 1548 C ALA A 101 3.334 -9.208 -7.598 1.00 1.36 C ATOM 1549 O ALA A 101 2.129 -9.071 -7.656 1.00 1.98 O ATOM 1550 CB ALA A 101 5.581 -8.378 -8.380 1.00 0.87 C ATOM 0 H ALA A 101 3.517 -8.082 -10.645 1.00 0.83 H new ATOM 0 HA ALA A 101 4.321 -9.873 -9.356 1.00 1.01 H new ATOM 0 HB1 ALA A 101 6.089 -9.113 -7.755 1.00 0.87 H new ATOM 0 HB2 ALA A 101 6.189 -8.168 -9.260 1.00 0.87 H new ATOM 0 HB3 ALA A 101 5.434 -7.459 -7.813 1.00 0.87 H new ATOM 1556 N GLY A 102 3.918 -9.594 -6.497 1.00 1.17 N ATOM 1557 CA GLY A 102 3.100 -9.875 -5.282 1.00 1.71 C ATOM 1558 C GLY A 102 3.364 -11.302 -4.804 1.00 1.08 C ATOM 1559 O GLY A 102 2.473 -12.126 -4.750 1.00 1.27 O ATOM 0 H GLY A 102 4.923 -9.727 -6.386 1.00 1.17 H new ATOM 0 HA2 GLY A 102 3.347 -9.165 -4.493 1.00 1.71 H new ATOM 0 HA3 GLY A 102 2.041 -9.746 -5.506 1.00 1.71 H new ATOM 1563 N ARG A 103 4.585 -11.598 -4.452 1.00 0.90 N ATOM 1564 CA ARG A 103 4.910 -12.972 -3.972 1.00 1.11 C ATOM 1565 C ARG A 103 5.182 -12.950 -2.468 1.00 0.94 C ATOM 1566 O ARG A 103 4.642 -13.736 -1.715 1.00 1.04 O ATOM 1567 CB ARG A 103 6.169 -13.372 -4.742 1.00 1.71 C ATOM 1568 CG ARG A 103 5.774 -14.147 -6.001 1.00 2.44 C ATOM 1569 CD ARG A 103 7.012 -14.373 -6.871 1.00 3.16 C ATOM 1570 NE ARG A 103 6.843 -15.745 -7.426 1.00 3.73 N ATOM 1571 CZ ARG A 103 6.165 -15.925 -8.525 1.00 4.34 C ATOM 1572 NH1 ARG A 103 4.864 -15.824 -8.513 1.00 4.84 N ATOM 1573 NH2 ARG A 103 6.787 -16.208 -9.637 1.00 4.81 N ATOM 0 H ARG A 103 5.371 -10.949 -4.476 1.00 0.90 H new ATOM 0 HA ARG A 103 4.093 -13.675 -4.137 1.00 1.11 H new ATOM 0 HB2 ARG A 103 6.740 -12.484 -5.013 1.00 1.71 H new ATOM 0 HB3 ARG A 103 6.814 -13.985 -4.112 1.00 1.71 H new ATOM 0 HG2 ARG A 103 5.329 -15.104 -5.727 1.00 2.44 H new ATOM 0 HG3 ARG A 103 5.020 -13.593 -6.560 1.00 2.44 H new ATOM 0 HD2 ARG A 103 7.078 -13.630 -7.666 1.00 3.16 H new ATOM 0 HD3 ARG A 103 7.927 -14.294 -6.284 1.00 3.16 H new ATOM 0 HE ARG A 103 7.258 -16.544 -6.946 1.00 3.73 H new ATOM 0 HH11 ARG A 103 4.378 -15.604 -7.644 1.00 4.84 H new ATOM 0 HH12 ARG A 103 4.334 -15.965 -9.373 1.00 4.84 H new ATOM 0 HH21 ARG A 103 7.804 -16.288 -9.646 1.00 4.81 H new ATOM 0 HH22 ARG A 103 6.256 -16.349 -10.497 1.00 4.81 H new ATOM 1587 N GLU A 104 6.014 -12.050 -2.030 1.00 0.75 N ATOM 1588 CA GLU A 104 6.329 -11.961 -0.575 1.00 0.66 C ATOM 1589 C GLU A 104 6.756 -10.537 -0.221 1.00 0.56 C ATOM 1590 O GLU A 104 6.862 -9.680 -1.077 1.00 0.57 O ATOM 1591 CB GLU A 104 7.485 -12.938 -0.354 1.00 0.79 C ATOM 1592 CG GLU A 104 7.031 -14.359 -0.693 1.00 1.59 C ATOM 1593 CD GLU A 104 8.047 -15.364 -0.148 1.00 1.87 C ATOM 1594 OE1 GLU A 104 9.214 -15.237 -0.483 1.00 2.04 O ATOM 1595 OE2 GLU A 104 7.643 -16.243 0.595 1.00 2.51 O ATOM 0 H GLU A 104 6.493 -11.368 -2.618 1.00 0.75 H new ATOM 0 HA GLU A 104 5.470 -12.204 0.050 1.00 0.66 H new ATOM 0 HB2 GLU A 104 8.334 -12.659 -0.978 1.00 0.79 H new ATOM 0 HB3 GLU A 104 7.821 -12.891 0.682 1.00 0.79 H new ATOM 0 HG2 GLU A 104 6.048 -14.550 -0.263 1.00 1.59 H new ATOM 0 HG3 GLU A 104 6.934 -14.473 -1.773 1.00 1.59 H new ATOM 1602 N ALA A 105 7.000 -10.276 1.035 1.00 0.50 N ATOM 1603 CA ALA A 105 7.423 -8.905 1.454 1.00 0.44 C ATOM 1604 C ALA A 105 8.539 -8.379 0.541 1.00 0.45 C ATOM 1605 O ALA A 105 8.691 -7.188 0.355 1.00 0.47 O ATOM 1606 CB ALA A 105 7.933 -9.070 2.885 1.00 0.47 C ATOM 0 H ALA A 105 6.925 -10.955 1.793 1.00 0.50 H new ATOM 0 HA ALA A 105 6.605 -8.187 1.390 1.00 0.44 H new ATOM 0 HB1 ALA A 105 8.264 -8.104 3.267 1.00 0.47 H new ATOM 0 HB2 ALA A 105 7.131 -9.454 3.515 1.00 0.47 H new ATOM 0 HB3 ALA A 105 8.769 -9.770 2.895 1.00 0.47 H new ATOM 1612 N ASP A 106 9.315 -9.260 -0.031 1.00 0.51 N ATOM 1613 CA ASP A 106 10.413 -8.809 -0.935 1.00 0.56 C ATOM 1614 C ASP A 106 9.828 -8.139 -2.178 1.00 0.54 C ATOM 1615 O ASP A 106 10.186 -7.031 -2.527 1.00 0.64 O ATOM 1616 CB ASP A 106 11.166 -10.084 -1.317 1.00 0.67 C ATOM 1617 CG ASP A 106 12.186 -10.421 -0.227 1.00 1.18 C ATOM 1618 OD1 ASP A 106 11.765 -10.809 0.850 1.00 2.02 O ATOM 1619 OD2 ASP A 106 13.369 -10.285 -0.489 1.00 1.82 O ATOM 0 H ASP A 106 9.237 -10.270 0.088 1.00 0.51 H new ATOM 0 HA ASP A 106 11.067 -8.080 -0.457 1.00 0.56 H new ATOM 0 HB2 ASP A 106 10.465 -10.909 -1.442 1.00 0.67 H new ATOM 0 HB3 ASP A 106 11.671 -9.948 -2.273 1.00 0.67 H new ATOM 1624 N ASP A 107 8.926 -8.801 -2.845 1.00 0.50 N ATOM 1625 CA ASP A 107 8.309 -8.204 -4.065 1.00 0.52 C ATOM 1626 C ASP A 107 7.741 -6.820 -3.739 1.00 0.51 C ATOM 1627 O ASP A 107 7.580 -5.983 -4.606 1.00 0.63 O ATOM 1628 CB ASP A 107 7.185 -9.164 -4.457 1.00 0.55 C ATOM 1629 CG ASP A 107 7.633 -10.022 -5.644 1.00 0.76 C ATOM 1630 OD1 ASP A 107 8.826 -10.080 -5.894 1.00 1.39 O ATOM 1631 OD2 ASP A 107 6.774 -10.609 -6.281 1.00 1.41 O ATOM 0 H ASP A 107 8.588 -9.731 -2.599 1.00 0.50 H new ATOM 0 HA ASP A 107 9.030 -8.075 -4.872 1.00 0.52 H new ATOM 0 HB2 ASP A 107 6.926 -9.802 -3.612 1.00 0.55 H new ATOM 0 HB3 ASP A 107 6.288 -8.602 -4.719 1.00 0.55 H new ATOM 1636 N ILE A 108 7.441 -6.574 -2.494 1.00 0.46 N ATOM 1637 CA ILE A 108 6.889 -5.245 -2.107 1.00 0.52 C ATOM 1638 C ILE A 108 8.006 -4.198 -2.096 1.00 0.50 C ATOM 1639 O ILE A 108 7.927 -3.179 -2.756 1.00 0.52 O ATOM 1640 CB ILE A 108 6.329 -5.445 -0.697 1.00 0.60 C ATOM 1641 CG1 ILE A 108 5.324 -6.602 -0.702 1.00 0.73 C ATOM 1642 CG2 ILE A 108 5.630 -4.163 -0.239 1.00 0.67 C ATOM 1643 CD1 ILE A 108 4.150 -6.263 -1.622 1.00 0.68 C ATOM 0 H ILE A 108 7.554 -7.237 -1.727 1.00 0.46 H new ATOM 0 HA ILE A 108 6.126 -4.893 -2.802 1.00 0.52 H new ATOM 0 HB ILE A 108 7.145 -5.678 -0.013 1.00 0.60 H new ATOM 0 HG12 ILE A 108 5.810 -7.517 -1.040 1.00 0.73 H new ATOM 0 HG13 ILE A 108 4.964 -6.787 0.310 1.00 0.73 H new ATOM 0 HG21 ILE A 108 5.231 -4.305 0.765 1.00 0.67 H new ATOM 0 HG22 ILE A 108 6.346 -3.341 -0.232 1.00 0.67 H new ATOM 0 HG23 ILE A 108 4.815 -3.929 -0.924 1.00 0.67 H new ATOM 0 HD11 ILE A 108 3.438 -7.088 -1.623 1.00 0.68 H new ATOM 0 HD12 ILE A 108 3.657 -5.359 -1.265 1.00 0.68 H new ATOM 0 HD13 ILE A 108 4.517 -6.100 -2.635 1.00 0.68 H new ATOM 1655 N VAL A 109 9.051 -4.446 -1.357 1.00 0.51 N ATOM 1656 CA VAL A 109 10.177 -3.472 -1.305 1.00 0.56 C ATOM 1657 C VAL A 109 10.927 -3.472 -2.637 1.00 0.51 C ATOM 1658 O VAL A 109 11.305 -2.438 -3.150 1.00 0.55 O ATOM 1659 CB VAL A 109 11.084 -3.973 -0.182 1.00 0.67 C ATOM 1660 CG1 VAL A 109 12.234 -2.986 0.020 1.00 0.81 C ATOM 1661 CG2 VAL A 109 10.277 -4.091 1.113 1.00 0.86 C ATOM 0 H VAL A 109 9.174 -5.282 -0.786 1.00 0.51 H new ATOM 0 HA VAL A 109 9.836 -2.452 -1.127 1.00 0.56 H new ATOM 0 HB VAL A 109 11.486 -4.951 -0.447 1.00 0.67 H new ATOM 0 HG11 VAL A 109 12.882 -3.342 0.821 1.00 0.81 H new ATOM 0 HG12 VAL A 109 12.809 -2.903 -0.902 1.00 0.81 H new ATOM 0 HG13 VAL A 109 11.832 -2.008 0.286 1.00 0.81 H new ATOM 0 HG21 VAL A 109 10.924 -4.448 1.914 1.00 0.86 H new ATOM 0 HG22 VAL A 109 9.874 -3.114 1.381 1.00 0.86 H new ATOM 0 HG23 VAL A 109 9.457 -4.794 0.968 1.00 0.86 H new ATOM 1671 N ASN A 110 11.143 -4.630 -3.201 1.00 0.50 N ATOM 1672 CA ASN A 110 11.867 -4.712 -4.503 1.00 0.52 C ATOM 1673 C ASN A 110 11.243 -3.756 -5.519 1.00 0.50 C ATOM 1674 O ASN A 110 11.918 -2.948 -6.126 1.00 0.59 O ATOM 1675 CB ASN A 110 11.697 -6.163 -4.951 1.00 0.59 C ATOM 1676 CG ASN A 110 12.847 -6.552 -5.881 1.00 0.98 C ATOM 1677 OD1 ASN A 110 13.285 -5.759 -6.690 1.00 1.65 O ATOM 1678 ND2 ASN A 110 13.359 -7.750 -5.798 1.00 1.29 N ATOM 0 H ASN A 110 10.848 -5.527 -2.814 1.00 0.50 H new ATOM 0 HA ASN A 110 12.916 -4.431 -4.414 1.00 0.52 H new ATOM 0 HB2 ASN A 110 11.679 -6.822 -4.083 1.00 0.59 H new ATOM 0 HB3 ASN A 110 10.743 -6.286 -5.464 1.00 0.59 H new ATOM 0 HD21 ASN A 110 14.127 -8.020 -6.413 1.00 1.29 H new ATOM 0 HD22 ASN A 110 12.991 -8.416 -5.119 1.00 1.29 H new ATOM 1685 N TRP A 111 9.958 -3.835 -5.702 1.00 0.46 N ATOM 1686 CA TRP A 111 9.293 -2.922 -6.672 1.00 0.51 C ATOM 1687 C TRP A 111 9.355 -1.488 -6.145 1.00 0.55 C ATOM 1688 O TRP A 111 9.378 -0.536 -6.900 1.00 0.66 O ATOM 1689 CB TRP A 111 7.845 -3.402 -6.750 1.00 0.55 C ATOM 1690 CG TRP A 111 7.294 -3.091 -8.103 1.00 0.58 C ATOM 1691 CD1 TRP A 111 7.372 -3.905 -9.180 1.00 0.73 C ATOM 1692 CD2 TRP A 111 6.587 -1.895 -8.543 1.00 0.69 C ATOM 1693 NE1 TRP A 111 6.756 -3.285 -10.253 1.00 0.84 N ATOM 1694 CE2 TRP A 111 6.256 -2.045 -9.910 1.00 0.83 C ATOM 1695 CE3 TRP A 111 6.203 -0.707 -7.895 1.00 0.84 C ATOM 1696 CZ2 TRP A 111 5.569 -1.052 -10.609 1.00 1.03 C ATOM 1697 CZ3 TRP A 111 5.512 0.294 -8.596 1.00 1.07 C ATOM 1698 CH2 TRP A 111 5.196 0.122 -9.950 1.00 1.14 C ATOM 0 H TRP A 111 9.339 -4.490 -5.224 1.00 0.46 H new ATOM 0 HA TRP A 111 9.771 -2.933 -7.652 1.00 0.51 H new ATOM 0 HB2 TRP A 111 7.795 -4.474 -6.562 1.00 0.55 H new ATOM 0 HB3 TRP A 111 7.246 -2.915 -5.980 1.00 0.55 H new ATOM 0 HD1 TRP A 111 7.838 -4.879 -9.200 1.00 0.73 H new ATOM 0 HE1 TRP A 111 6.681 -3.695 -11.184 1.00 0.84 H new ATOM 0 HE3 TRP A 111 6.441 -0.564 -6.851 1.00 0.84 H new ATOM 0 HZ2 TRP A 111 5.327 -1.190 -11.652 1.00 1.03 H new ATOM 0 HZ3 TRP A 111 5.222 1.202 -8.088 1.00 1.07 H new ATOM 0 HH2 TRP A 111 4.665 0.896 -10.484 1.00 1.14 H new ATOM 1709 N LEU A 112 9.385 -1.331 -4.850 1.00 0.55 N ATOM 1710 CA LEU A 112 9.450 0.036 -4.265 1.00 0.65 C ATOM 1711 C LEU A 112 10.862 0.613 -4.416 1.00 0.65 C ATOM 1712 O LEU A 112 11.037 1.799 -4.611 1.00 0.75 O ATOM 1713 CB LEU A 112 9.100 -0.152 -2.787 1.00 0.74 C ATOM 1714 CG LEU A 112 7.597 0.060 -2.590 1.00 0.86 C ATOM 1715 CD1 LEU A 112 7.127 -0.728 -1.365 1.00 1.49 C ATOM 1716 CD2 LEU A 112 7.315 1.549 -2.378 1.00 1.10 C ATOM 0 H LEU A 112 9.367 -2.092 -4.172 1.00 0.55 H new ATOM 0 HA LEU A 112 8.772 0.731 -4.761 1.00 0.65 H new ATOM 0 HB2 LEU A 112 9.384 -1.152 -2.459 1.00 0.74 H new ATOM 0 HB3 LEU A 112 9.661 0.555 -2.176 1.00 0.74 H new ATOM 0 HG LEU A 112 7.062 -0.289 -3.473 1.00 0.86 H new ATOM 0 HD11 LEU A 112 6.057 -0.577 -1.224 1.00 1.49 H new ATOM 0 HD12 LEU A 112 7.327 -1.789 -1.516 1.00 1.49 H new ATOM 0 HD13 LEU A 112 7.662 -0.380 -0.481 1.00 1.49 H new ATOM 0 HD21 LEU A 112 6.245 1.700 -2.238 1.00 1.10 H new ATOM 0 HD22 LEU A 112 7.850 1.898 -1.495 1.00 1.10 H new ATOM 0 HD23 LEU A 112 7.649 2.110 -3.250 1.00 1.10 H new ATOM 1728 N LYS A 113 11.871 -0.214 -4.328 1.00 0.62 N ATOM 1729 CA LYS A 113 13.265 0.300 -4.468 1.00 0.70 C ATOM 1730 C LYS A 113 13.664 0.377 -5.946 1.00 0.75 C ATOM 1731 O LYS A 113 14.454 1.210 -6.343 1.00 1.01 O ATOM 1732 CB LYS A 113 14.145 -0.707 -3.718 1.00 0.79 C ATOM 1733 CG LYS A 113 14.110 -2.065 -4.427 1.00 1.42 C ATOM 1734 CD LYS A 113 15.091 -3.020 -3.746 1.00 1.84 C ATOM 1735 CE LYS A 113 16.517 -2.489 -3.910 1.00 2.39 C ATOM 1736 NZ LYS A 113 16.903 -1.996 -2.559 1.00 2.86 N ATOM 0 H LYS A 113 11.791 -1.218 -4.166 1.00 0.62 H new ATOM 0 HA LYS A 113 13.371 1.307 -4.064 1.00 0.70 H new ATOM 0 HB2 LYS A 113 15.170 -0.340 -3.668 1.00 0.79 H new ATOM 0 HB3 LYS A 113 13.795 -0.815 -2.691 1.00 0.79 H new ATOM 0 HG2 LYS A 113 13.102 -2.478 -4.395 1.00 1.42 H new ATOM 0 HG3 LYS A 113 14.372 -1.946 -5.478 1.00 1.42 H new ATOM 0 HD2 LYS A 113 14.847 -3.116 -2.688 1.00 1.84 H new ATOM 0 HD3 LYS A 113 15.009 -4.015 -4.183 1.00 1.84 H new ATOM 0 HE2 LYS A 113 17.193 -3.273 -4.252 1.00 2.39 H new ATOM 0 HE3 LYS A 113 16.557 -1.688 -4.649 1.00 2.39 H new ATOM 0 HZ1 LYS A 113 17.673 -1.303 -2.649 1.00 2.86 H new ATOM 0 HZ2 LYS A 113 16.083 -1.544 -2.107 1.00 2.86 H new ATOM 0 HZ3 LYS A 113 17.223 -2.796 -1.976 1.00 2.86 H new ATOM 1750 N LYS A 114 13.126 -0.487 -6.764 1.00 0.71 N ATOM 1751 CA LYS A 114 13.479 -0.460 -8.214 1.00 0.89 C ATOM 1752 C LYS A 114 13.185 0.921 -8.808 1.00 1.07 C ATOM 1753 O LYS A 114 13.718 1.290 -9.835 1.00 1.31 O ATOM 1754 CB LYS A 114 12.588 -1.521 -8.860 1.00 0.92 C ATOM 1755 CG LYS A 114 13.421 -2.764 -9.179 1.00 1.45 C ATOM 1756 CD LYS A 114 14.405 -2.442 -10.306 1.00 1.77 C ATOM 1757 CE LYS A 114 15.816 -2.861 -9.887 1.00 2.49 C ATOM 1758 NZ LYS A 114 15.911 -4.306 -10.241 1.00 3.00 N ATOM 0 H LYS A 114 12.459 -1.209 -6.492 1.00 0.71 H new ATOM 0 HA LYS A 114 14.537 -0.658 -8.383 1.00 0.89 H new ATOM 0 HB2 LYS A 114 11.770 -1.781 -8.189 1.00 0.92 H new ATOM 0 HB3 LYS A 114 12.139 -1.128 -9.772 1.00 0.92 H new ATOM 0 HG2 LYS A 114 13.962 -3.090 -8.291 1.00 1.45 H new ATOM 0 HG3 LYS A 114 12.769 -3.586 -9.475 1.00 1.45 H new ATOM 0 HD2 LYS A 114 14.114 -2.965 -11.217 1.00 1.77 H new ATOM 0 HD3 LYS A 114 14.382 -1.375 -10.529 1.00 1.77 H new ATOM 0 HE2 LYS A 114 16.573 -2.276 -10.410 1.00 2.49 H new ATOM 0 HE3 LYS A 114 15.973 -2.705 -8.820 1.00 2.49 H new ATOM 0 HZ1 LYS A 114 16.852 -4.665 -9.983 1.00 3.00 H new ATOM 0 HZ2 LYS A 114 15.183 -4.839 -9.723 1.00 3.00 H new ATOM 0 HZ3 LYS A 114 15.764 -4.423 -11.264 1.00 3.00 H new ATOM 1772 N ARG A 115 12.339 1.684 -8.173 1.00 1.09 N ATOM 1773 CA ARG A 115 12.011 3.038 -8.706 1.00 1.40 C ATOM 1774 C ARG A 115 13.035 4.065 -8.215 1.00 1.25 C ATOM 1775 O ARG A 115 13.222 5.104 -8.816 1.00 1.55 O ATOM 1776 CB ARG A 115 10.624 3.355 -8.149 1.00 1.86 C ATOM 1777 CG ARG A 115 9.564 2.587 -8.943 1.00 2.43 C ATOM 1778 CD ARG A 115 8.236 3.345 -8.889 1.00 2.92 C ATOM 1779 NE ARG A 115 8.079 3.944 -10.244 1.00 3.45 N ATOM 1780 CZ ARG A 115 8.872 4.907 -10.629 1.00 3.99 C ATOM 1781 NH1 ARG A 115 8.612 6.140 -10.294 1.00 4.34 N ATOM 1782 NH2 ARG A 115 9.925 4.634 -11.351 1.00 4.52 N ATOM 0 H ARG A 115 11.861 1.430 -7.309 1.00 1.09 H new ATOM 0 HA ARG A 115 12.031 3.069 -9.795 1.00 1.40 H new ATOM 0 HB2 ARG A 115 10.573 3.081 -7.095 1.00 1.86 H new ATOM 0 HB3 ARG A 115 10.433 4.426 -8.209 1.00 1.86 H new ATOM 0 HG2 ARG A 115 9.885 2.468 -9.978 1.00 2.43 H new ATOM 0 HG3 ARG A 115 9.440 1.586 -8.531 1.00 2.43 H new ATOM 0 HD2 ARG A 115 7.408 2.675 -8.655 1.00 2.92 H new ATOM 0 HD3 ARG A 115 8.252 4.114 -8.117 1.00 2.92 H new ATOM 0 HE ARG A 115 7.351 3.601 -10.871 1.00 3.45 H new ATOM 0 HH11 ARG A 115 7.789 6.353 -9.731 1.00 4.34 H new ATOM 0 HH12 ARG A 115 9.232 6.892 -10.595 1.00 4.34 H new ATOM 0 HH21 ARG A 115 10.127 3.669 -11.614 1.00 4.52 H new ATOM 0 HH22 ARG A 115 10.545 5.385 -11.653 1.00 4.52 H new ATOM 1796 N THR A 116 13.699 3.784 -7.127 1.00 1.09 N ATOM 1797 CA THR A 116 14.710 4.749 -6.602 1.00 1.33 C ATOM 1798 C THR A 116 16.087 4.452 -7.201 1.00 1.97 C ATOM 1799 O THR A 116 16.837 5.349 -7.530 1.00 2.63 O ATOM 1800 CB THR A 116 14.723 4.527 -5.087 1.00 1.60 C ATOM 1801 OG1 THR A 116 14.623 3.137 -4.813 1.00 2.17 O ATOM 1802 CG2 THR A 116 13.543 5.263 -4.451 1.00 1.81 C ATOM 0 H THR A 116 13.587 2.931 -6.579 1.00 1.09 H new ATOM 0 HA THR A 116 14.468 5.780 -6.860 1.00 1.33 H new ATOM 0 HB THR A 116 15.654 4.913 -4.671 1.00 1.60 H new ATOM 0 HG1 THR A 116 15.091 2.632 -5.510 1.00 2.17 H new ATOM 0 HG21 THR A 116 13.554 5.104 -3.373 1.00 1.81 H new ATOM 0 HG22 THR A 116 13.623 6.329 -4.661 1.00 1.81 H new ATOM 0 HG23 THR A 116 12.610 4.881 -4.865 1.00 1.81 H new ATOM 1810 N GLY A 117 16.425 3.199 -7.346 1.00 2.26 N ATOM 1811 CA GLY A 117 17.754 2.849 -7.923 1.00 3.23 C ATOM 1812 C GLY A 117 18.862 3.275 -6.954 1.00 3.72 C ATOM 1813 O GLY A 117 18.593 3.910 -5.952 1.00 3.64 O ATOM 0 H GLY A 117 15.839 2.404 -7.090 1.00 2.26 H new ATOM 0 HA2 GLY A 117 17.811 1.776 -8.108 1.00 3.23 H new ATOM 0 HA3 GLY A 117 17.887 3.345 -8.884 1.00 3.23 H new ATOM 1817 N PRO A 118 20.081 2.915 -7.280 1.00 4.60 N ATOM 1818 CA PRO A 118 21.232 3.274 -6.416 1.00 5.37 C ATOM 1819 C PRO A 118 21.538 4.769 -6.528 1.00 5.55 C ATOM 1820 O PRO A 118 22.438 5.178 -7.236 1.00 5.89 O ATOM 1821 CB PRO A 118 22.380 2.440 -6.980 1.00 6.27 C ATOM 1822 CG PRO A 118 22.004 2.178 -8.404 1.00 6.17 C ATOM 1823 CD PRO A 118 20.500 2.151 -8.465 1.00 5.22 C ATOM 0 HA PRO A 118 21.051 3.079 -5.359 1.00 5.37 H new ATOM 0 HB2 PRO A 118 23.327 2.976 -6.914 1.00 6.27 H new ATOM 0 HB3 PRO A 118 22.501 1.509 -6.426 1.00 6.27 H new ATOM 0 HG2 PRO A 118 22.402 2.954 -9.057 1.00 6.17 H new ATOM 0 HG3 PRO A 118 22.421 1.230 -8.745 1.00 6.17 H new ATOM 0 HD2 PRO A 118 20.130 2.605 -9.384 1.00 5.22 H new ATOM 0 HD3 PRO A 118 20.118 1.131 -8.437 1.00 5.22 H new ATOM 1831 N ALA A 119 20.798 5.590 -5.835 1.00 5.74 N ATOM 1832 CA ALA A 119 21.048 7.059 -5.905 1.00 6.37 C ATOM 1833 C ALA A 119 20.773 7.709 -4.546 1.00 7.12 C ATOM 1834 O ALA A 119 20.682 7.042 -3.535 1.00 7.52 O ATOM 1835 CB ALA A 119 20.068 7.578 -6.956 1.00 6.62 C ATOM 0 H ALA A 119 20.032 5.308 -5.224 1.00 5.74 H new ATOM 0 HA ALA A 119 22.082 7.290 -6.163 1.00 6.37 H new ATOM 0 HB1 ALA A 119 20.190 8.656 -7.066 1.00 6.62 H new ATOM 0 HB2 ALA A 119 20.266 7.091 -7.911 1.00 6.62 H new ATOM 0 HB3 ALA A 119 19.048 7.359 -6.642 1.00 6.62 H new ATOM 1841 N ALA A 120 20.641 9.007 -4.517 1.00 7.64 N ATOM 1842 CA ALA A 120 20.373 9.702 -3.225 1.00 8.64 C ATOM 1843 C ALA A 120 21.424 9.306 -2.184 1.00 9.09 C ATOM 1844 O ALA A 120 22.480 8.844 -2.582 1.00 9.37 O ATOM 1845 CB ALA A 120 18.986 9.222 -2.796 1.00 9.17 C ATOM 1846 OXT ALA A 120 21.154 9.474 -1.005 1.00 9.38 O ATOM 0 H ALA A 120 20.707 9.617 -5.332 1.00 7.64 H new ATOM 0 HA ALA A 120 20.416 10.787 -3.323 1.00 8.64 H new ATOM 0 HB1 ALA A 120 18.715 9.690 -1.850 1.00 9.17 H new ATOM 0 HB2 ALA A 120 18.255 9.494 -3.558 1.00 9.17 H new ATOM 0 HB3 ALA A 120 18.997 8.139 -2.675 1.00 9.17 H new TER 1852 ALA A 120