USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1112 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 GLN : amide:sc= -0.543 X(o=-0.5,f=-0.11) USER MOD Set 1.2: A 128 GLN : amide:sc= 0.0463 X(o=-0.5,f=-0.11) USER MOD Set 2.1: A 82 TYR OH : rot 113:sc= 0.799 USER MOD Set 2.2: A 88 CYS SG : rot 180:sc= 0.683 USER MOD Set 3.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 148 SER OG : rot 160:sc= 0 USER MOD Set 4.1: A 29 SER OG : rot 180:sc= -0.206 USER MOD Set 4.2: A 37 ASN : amide:sc= -0.172 X(o=-0.38,f=-0.21) USER MOD Single : A 3 THR OG1 : rot -164:sc= -0.781 USER MOD Single : A 10 MET CE :methyl 163:sc= -0.13 (180deg=-0.603) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.0025) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -8.47! C(o=-8.5!,f=-2.5!) USER MOD Single : A 32 ASN : amide:sc= -0.339 K(o=-0.34,f=-4!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.802 K(o=-0.8,f=0) USER MOD Single : A 46 THR OG1 : rot -61:sc= 1.07 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.0786 K(o=-0.079,f=-1.2) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0225 (180deg=-0.418) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 157:sc= -0.0523 (180deg=-0.423) USER MOD Single : A 76 MET CE :methyl 163:sc= -0.0607 (180deg=-1.27) USER MOD Single : A 78 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-0.98) USER MOD Single : A 80 ASN : amide:sc= -4.38! K(o=-4.4!,f=-0.39) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.236 K(o=-0.24,f=-0.79) USER MOD Single : A 94 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.2) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -53:sc= 1.12 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot -160:sc= -0.344 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot -13:sc= 0.635 USER MOD Single : A 108 SER OG : rot 68:sc= 1.31 USER MOD Single : A 110 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD Single : A 111 SER OG : rot 87:sc= 1.27 USER MOD Single : A 123 ASN : amide:sc= -0.18 K(o=-0.18,f=-6.9!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= -0.887 X(o=-0.89,f=-0.8) USER MOD Single : A 133 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 134 LYS NZ :NH3+ -149:sc= -2.01! (180deg=-3.47!) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -162:sc= -0.0693 (180deg=-0.443) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.867 K(o=-0.87,f=0) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -24.557 3.977 6.680 0.06 0.00 N ATOM 32 CA THR A 3 -23.839 5.105 6.100 0.52 0.00 C ATOM 33 C THR A 3 -23.691 4.908 4.588 1.00 0.00 C ATOM 34 O THR A 3 -23.907 3.805 4.083 1.00 0.00 O ATOM 35 CB THR A 3 -22.453 5.271 6.771 0.07 0.00 C ATOM 36 OG1 THR A 3 -22.159 6.660 6.962 0.25 0.00 O ATOM 37 CG2 THR A 3 -21.347 4.626 5.949 0.85 0.00 C ATOM 0 HA THR A 3 -24.410 6.016 6.278 0.52 0.00 H new ATOM 0 HB THR A 3 -22.496 4.767 7.737 0.07 0.00 H new ATOM 0 HG1 THR A 3 -21.202 6.770 7.143 0.25 0.00 H new ATOM 0 HG21 THR A 3 -20.391 4.764 6.454 0.85 0.00 H new ATOM 0 HG22 THR A 3 -21.549 3.560 5.840 0.85 0.00 H new ATOM 0 HG23 THR A 3 -21.308 5.090 4.964 0.85 0.00 H new ATOM 45 N PRO A 4 -23.325 5.965 3.843 0.11 0.00 N ATOM 46 CA PRO A 4 -23.168 5.885 2.399 0.05 0.00 C ATOM 47 C PRO A 4 -21.818 5.307 1.999 0.26 0.00 C ATOM 48 O PRO A 4 -21.699 4.632 0.978 0.23 0.00 O ATOM 49 CB PRO A 4 -23.291 7.338 1.930 1.00 0.00 C ATOM 50 CG PRO A 4 -23.220 8.198 3.158 1.00 0.00 C ATOM 51 CD PRO A 4 -23.015 7.305 4.348 0.32 0.00 C ATOM 0 HA PRO A 4 -23.909 5.224 1.950 0.05 0.00 H new ATOM 0 HB2 PRO A 4 -22.489 7.589 1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.231 7.495 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.401 8.913 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -24.137 8.776 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -21.992 7.365 4.720 0.32 0.00 H new ATOM 0 HD3 PRO A 4 -23.671 7.582 5.173 0.32 0.00 H new ATOM 59 N ALA A 5 -20.805 5.575 2.814 0.07 0.00 N ATOM 60 CA ALA A 5 -19.464 5.077 2.550 0.12 0.00 C ATOM 61 C ALA A 5 -19.442 3.552 2.561 0.06 0.00 C ATOM 62 O ALA A 5 -18.688 2.923 1.818 0.28 0.00 O ATOM 63 CB ALA A 5 -18.483 5.627 3.576 1.00 0.00 C ATOM 0 H ALA A 5 -20.888 6.135 3.663 0.07 0.00 H new ATOM 0 HA ALA A 5 -19.162 5.417 1.559 0.12 0.00 H new ATOM 0 HB1 ALA A 5 -17.484 5.245 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -18.474 6.716 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.788 5.314 4.575 1.00 0.00 H new ATOM 69 N ARG A 6 -20.279 2.968 3.413 1.00 0.00 N ATOM 70 CA ARG A 6 -20.366 1.517 3.539 0.16 0.00 C ATOM 71 C ARG A 6 -20.912 0.888 2.261 0.28 0.00 C ATOM 72 O ARG A 6 -20.347 -0.077 1.744 0.12 0.00 O ATOM 73 CB ARG A 6 -21.257 1.146 4.732 0.71 0.00 C ATOM 74 CG ARG A 6 -21.337 -0.349 4.999 0.81 0.00 C ATOM 75 CD ARG A 6 -22.528 -0.982 4.296 0.52 0.00 C ATOM 76 NE ARG A 6 -23.790 -0.357 4.690 0.50 0.00 N ATOM 77 CZ ARG A 6 -24.985 -0.877 4.423 0.08 0.00 C ATOM 78 NH1 ARG A 6 -25.080 -2.028 3.773 0.16 0.00 N ATOM 79 NH2 ARG A 6 -26.084 -0.245 4.810 0.15 0.00 N ATOM 0 H ARG A 6 -20.910 3.481 4.029 1.00 0.00 H new ATOM 0 HA ARG A 6 -19.362 1.128 3.707 0.16 0.00 H new ATOM 0 HB2 ARG A 6 -20.879 1.645 5.624 0.71 0.00 H new ATOM 0 HB3 ARG A 6 -22.262 1.528 4.555 0.71 0.00 H new ATOM 0 HG2 ARG A 6 -20.418 -0.829 4.662 0.81 0.00 H new ATOM 0 HG3 ARG A 6 -21.413 -0.524 6.072 0.81 0.00 H new ATOM 0 HD2 ARG A 6 -22.401 -0.894 3.217 0.52 0.00 H new ATOM 0 HD3 ARG A 6 -22.562 -2.047 4.528 0.52 0.00 H new ATOM 0 HE ARG A 6 -23.752 0.527 5.198 0.50 0.00 H new ATOM 0 HH11 ARG A 6 -24.236 -2.517 3.476 0.16 0.00 H new ATOM 0 HH12 ARG A 6 -25.997 -2.425 3.570 0.16 0.00 H new ATOM 0 HH21 ARG A 6 -26.013 0.640 5.312 0.15 0.00 H new ATOM 0 HH22 ARG A 6 -27.000 -0.644 4.605 0.15 0.00 H new ATOM 93 N ARG A 7 -22.013 1.438 1.759 0.07 0.00 N ATOM 94 CA ARG A 7 -22.648 0.930 0.548 0.12 0.00 C ATOM 95 C ARG A 7 -21.673 0.894 -0.628 0.13 0.00 C ATOM 96 O ARG A 7 -21.755 0.012 -1.481 0.14 0.00 O ATOM 97 CB ARG A 7 -23.858 1.790 0.189 1.00 0.00 C ATOM 98 CG ARG A 7 -24.888 1.887 1.303 0.22 0.00 C ATOM 99 CD ARG A 7 -26.107 2.682 0.865 0.31 0.00 C ATOM 100 NE ARG A 7 -26.751 2.092 -0.305 1.00 0.00 N ATOM 101 CZ ARG A 7 -27.974 2.414 -0.716 0.08 0.00 C ATOM 102 NH1 ARG A 7 -28.683 3.319 -0.054 0.30 0.00 N ATOM 103 NH2 ARG A 7 -28.489 1.831 -1.790 0.20 0.00 N ATOM 0 H ARG A 7 -22.486 2.240 2.175 0.07 0.00 H new ATOM 0 HA ARG A 7 -22.971 -0.091 0.749 0.12 0.00 H new ATOM 0 HB2 ARG A 7 -23.517 2.793 -0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -24.335 1.378 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -25.194 0.886 1.605 0.22 0.00 H new ATOM 0 HG3 ARG A 7 -24.438 2.360 2.176 0.22 0.00 H new ATOM 0 HD2 ARG A 7 -26.822 2.732 1.686 0.31 0.00 H new ATOM 0 HD3 ARG A 7 -25.810 3.706 0.638 0.31 0.00 H new ATOM 0 HE ARG A 7 -26.233 1.393 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -28.290 3.770 0.772 0.30 0.00 H new ATOM 0 HH12 ARG A 7 -29.621 3.564 -0.371 0.30 0.00 H new ATOM 0 HH21 ARG A 7 -27.947 1.135 -2.302 0.20 0.00 H new ATOM 0 HH22 ARG A 7 -29.427 2.079 -2.104 0.20 0.00 H new ATOM 117 N ARG A 8 -20.757 1.857 -0.670 0.38 0.00 N ATOM 118 CA ARG A 8 -19.779 1.927 -1.752 1.00 0.00 C ATOM 119 C ARG A 8 -18.861 0.710 -1.742 0.59 0.00 C ATOM 120 O ARG A 8 -18.617 0.100 -2.784 0.25 0.00 O ATOM 121 CB ARG A 8 -18.953 3.212 -1.643 1.00 0.00 C ATOM 122 CG ARG A 8 -19.794 4.479 -1.687 0.22 0.00 C ATOM 123 CD ARG A 8 -20.514 4.628 -3.019 0.10 0.00 C ATOM 124 NE ARG A 8 -21.478 5.726 -3.000 0.79 0.00 N ATOM 125 CZ ARG A 8 -22.401 5.914 -3.937 1.00 0.00 C ATOM 126 NH1 ARG A 8 -22.480 5.089 -4.973 1.00 0.00 N ATOM 127 NH2 ARG A 8 -23.247 6.932 -3.841 0.90 0.00 N ATOM 0 H ARG A 8 -20.671 2.596 0.028 0.38 0.00 H new ATOM 0 HA ARG A 8 -20.323 1.935 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.387 3.193 -0.712 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.228 3.238 -2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.524 4.460 -0.878 0.22 0.00 H new ATOM 0 HG3 ARG A 8 -19.155 5.346 -1.519 0.22 0.00 H new ATOM 0 HD2 ARG A 8 -19.783 4.801 -3.809 0.10 0.00 H new ATOM 0 HD3 ARG A 8 -21.029 3.698 -3.259 0.10 0.00 H new ATOM 0 HE ARG A 8 -21.440 6.386 -2.223 0.79 0.00 H new ATOM 0 HH11 ARG A 8 -21.831 4.307 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -23.190 5.237 -5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -23.189 7.570 -3.048 0.90 0.00 H new ATOM 0 HH22 ARG A 8 -23.955 7.076 -4.561 0.90 0.00 H new ATOM 141 N LEU A 9 -18.357 0.359 -0.563 0.06 0.00 N ATOM 142 CA LEU A 9 -17.466 -0.789 -0.424 0.37 0.00 C ATOM 143 C LEU A 9 -18.132 -2.064 -0.931 0.09 0.00 C ATOM 144 O LEU A 9 -17.458 -2.985 -1.393 0.13 0.00 O ATOM 145 CB LEU A 9 -17.048 -0.966 1.038 0.14 0.00 C ATOM 146 CG LEU A 9 -16.031 0.056 1.551 0.64 0.00 C ATOM 147 CD1 LEU A 9 -15.837 -0.095 3.052 0.11 0.00 C ATOM 148 CD2 LEU A 9 -14.705 -0.103 0.820 0.12 0.00 C ATOM 0 H LEU A 9 -18.550 0.852 0.309 0.06 0.00 H new ATOM 0 HA LEU A 9 -16.579 -0.600 -1.028 0.37 0.00 H new ATOM 0 HB2 LEU A 9 -17.939 -0.914 1.663 0.14 0.00 H new ATOM 0 HB3 LEU A 9 -16.630 -1.965 1.162 0.14 0.00 H new ATOM 0 HG LEU A 9 -16.415 1.057 1.354 0.64 0.00 H new ATOM 0 HD11 LEU A 9 -15.111 0.639 3.401 0.11 0.00 H new ATOM 0 HD12 LEU A 9 -16.788 0.066 3.560 0.11 0.00 H new ATOM 0 HD13 LEU A 9 -15.473 -1.098 3.273 0.11 0.00 H new ATOM 0 HD21 LEU A 9 -13.992 0.631 1.196 0.12 0.00 H new ATOM 0 HD22 LEU A 9 -14.315 -1.107 0.988 0.12 0.00 H new ATOM 0 HD23 LEU A 9 -14.857 0.053 -0.248 0.12 0.00 H new ATOM 160 N MET A 10 -19.455 -2.109 -0.841 0.38 0.00 N ATOM 161 CA MET A 10 -20.212 -3.270 -1.290 0.22 0.00 C ATOM 162 C MET A 10 -20.130 -3.418 -2.807 0.15 0.00 C ATOM 163 O MET A 10 -20.013 -4.527 -3.327 0.57 0.00 O ATOM 164 CB MET A 10 -21.675 -3.153 -0.860 0.20 0.00 C ATOM 165 CG MET A 10 -21.863 -3.057 0.644 0.08 0.00 C ATOM 166 SD MET A 10 -23.591 -2.844 1.117 0.74 0.00 S ATOM 167 CE MET A 10 -24.310 -4.355 0.478 0.64 0.00 C ATOM 0 H MET A 10 -20.026 -1.354 -0.461 0.38 0.00 H new ATOM 0 HA MET A 10 -19.775 -4.156 -0.829 0.22 0.00 H new ATOM 0 HB2 MET A 10 -22.113 -2.272 -1.329 0.20 0.00 H new ATOM 0 HB3 MET A 10 -22.224 -4.018 -1.232 0.20 0.00 H new ATOM 0 HG2 MET A 10 -21.471 -3.959 1.113 0.08 0.00 H new ATOM 0 HG3 MET A 10 -21.280 -2.219 1.026 0.08 0.00 H new ATOM 0 HE1 MET A 10 -25.283 -4.519 0.941 0.64 0.00 H new ATOM 0 HE2 MET A 10 -24.431 -4.272 -0.602 0.64 0.00 H new ATOM 0 HE3 MET A 10 -23.654 -5.195 0.706 0.64 0.00 H new ATOM 177 N ARG A 11 -20.189 -2.289 -3.511 0.59 0.00 N ATOM 178 CA ARG A 11 -20.125 -2.292 -4.969 0.42 0.00 C ATOM 179 C ARG A 11 -18.711 -2.592 -5.454 0.14 0.00 C ATOM 180 O ARG A 11 -18.522 -3.194 -6.511 0.20 0.00 O ATOM 181 CB ARG A 11 -20.584 -0.942 -5.527 1.00 0.00 C ATOM 182 CG ARG A 11 -22.006 -0.565 -5.142 1.00 0.00 C ATOM 183 CD ARG A 11 -23.024 -1.493 -5.784 0.17 0.00 C ATOM 184 NE ARG A 11 -24.397 -1.086 -5.492 0.15 0.00 N ATOM 185 CZ ARG A 11 -25.438 -1.912 -5.543 0.08 0.00 C ATOM 186 NH1 ARG A 11 -25.261 -3.188 -5.860 1.00 0.00 N ATOM 187 NH2 ARG A 11 -26.657 -1.464 -5.276 0.12 0.00 N ATOM 0 H ARG A 11 -20.281 -1.362 -3.095 0.59 0.00 H new ATOM 0 HA ARG A 11 -20.791 -3.076 -5.330 0.42 0.00 H new ATOM 0 HB2 ARG A 11 -19.905 -0.165 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.507 -0.964 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -22.112 -0.602 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -22.206 0.462 -5.447 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.872 -1.507 -6.863 0.17 0.00 H new ATOM 0 HD3 ARG A 11 -22.864 -2.510 -5.426 0.17 0.00 H new ATOM 0 HE ARG A 11 -24.566 -0.114 -5.235 0.15 0.00 H new ATOM 0 HH11 ARG A 11 -24.325 -3.537 -6.065 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -26.061 -3.820 -5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -26.798 -0.484 -5.031 0.12 0.00 H new ATOM 0 HH22 ARG A 11 -27.454 -2.099 -5.316 0.12 0.00 H new ATOM 201 N ASP A 12 -17.720 -2.170 -4.675 0.06 0.00 N ATOM 202 CA ASP A 12 -16.323 -2.389 -5.032 0.81 0.00 C ATOM 203 C ASP A 12 -15.938 -3.858 -4.885 0.49 0.00 C ATOM 204 O ASP A 12 -15.211 -4.402 -5.715 0.06 0.00 O ATOM 205 CB ASP A 12 -15.409 -1.522 -4.164 1.00 0.00 C ATOM 206 CG ASP A 12 -15.534 -0.047 -4.491 0.95 0.00 C ATOM 207 OD1 ASP A 12 -14.882 0.406 -5.454 0.43 0.00 O ATOM 208 OD2 ASP A 12 -16.283 0.657 -3.782 0.08 0.00 O ATOM 0 H ASP A 12 -17.858 -1.675 -3.794 0.06 0.00 H new ATOM 0 HA ASP A 12 -16.199 -2.106 -6.077 0.81 0.00 H new ATOM 0 HB2 ASP A 12 -15.652 -1.681 -3.113 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.375 -1.836 -4.303 1.00 0.00 H new ATOM 213 N PHE A 13 -16.430 -4.495 -3.827 0.40 0.00 N ATOM 214 CA PHE A 13 -16.130 -5.900 -3.575 0.49 0.00 C ATOM 215 C PHE A 13 -16.789 -6.796 -4.619 1.00 0.00 C ATOM 216 O PHE A 13 -16.251 -7.844 -4.978 0.12 0.00 O ATOM 217 CB PHE A 13 -16.590 -6.299 -2.170 0.07 0.00 C ATOM 218 CG PHE A 13 -16.215 -7.704 -1.785 0.93 0.00 C ATOM 219 CD1 PHE A 13 -14.948 -8.199 -2.059 0.12 0.00 C ATOM 220 CD2 PHE A 13 -17.126 -8.526 -1.142 0.86 0.00 C ATOM 221 CE1 PHE A 13 -14.601 -9.488 -1.700 0.24 0.00 C ATOM 222 CE2 PHE A 13 -16.784 -9.816 -0.781 0.22 0.00 C ATOM 223 CZ PHE A 13 -15.519 -10.297 -1.061 0.20 0.00 C ATOM 0 H PHE A 13 -17.037 -4.061 -3.131 0.40 0.00 H new ATOM 0 HA PHE A 13 -15.050 -6.033 -3.644 0.49 0.00 H new ATOM 0 HB2 PHE A 13 -16.159 -5.607 -1.446 0.07 0.00 H new ATOM 0 HB3 PHE A 13 -17.673 -6.192 -2.108 0.07 0.00 H new ATOM 0 HD1 PHE A 13 -14.225 -7.570 -2.558 0.12 0.00 H new ATOM 0 HD2 PHE A 13 -18.116 -8.155 -0.920 0.86 0.00 H new ATOM 0 HE1 PHE A 13 -13.612 -9.862 -1.919 0.24 0.00 H new ATOM 0 HE2 PHE A 13 -17.504 -10.447 -0.281 0.22 0.00 H new ATOM 0 HZ PHE A 13 -15.249 -11.304 -0.780 0.20 0.00 H new ATOM 233 N LYS A 14 -17.953 -6.377 -5.105 0.07 0.00 N ATOM 234 CA LYS A 14 -18.683 -7.126 -6.097 0.47 0.00 C ATOM 235 C LYS A 14 -17.958 -7.099 -7.441 1.00 0.00 C ATOM 236 O LYS A 14 -17.910 -8.101 -8.151 0.32 0.00 O ATOM 237 CB LYS A 14 -20.081 -6.528 -6.226 0.50 0.00 C ATOM 238 CG LYS A 14 -20.974 -7.288 -7.173 0.07 0.00 C ATOM 239 CD LYS A 14 -20.867 -6.748 -8.588 0.06 0.00 C ATOM 240 CE LYS A 14 -21.778 -5.551 -8.803 0.49 0.00 C ATOM 241 NZ LYS A 14 -21.711 -5.044 -10.201 0.29 0.00 N ATOM 0 H LYS A 14 -18.408 -5.510 -4.817 0.07 0.00 H new ATOM 0 HA LYS A 14 -18.756 -8.168 -5.787 0.47 0.00 H new ATOM 0 HB2 LYS A 14 -20.548 -6.500 -5.242 0.50 0.00 H new ATOM 0 HB3 LYS A 14 -19.996 -5.496 -6.568 0.50 0.00 H new ATOM 0 HG2 LYS A 14 -20.703 -8.344 -7.163 0.07 0.00 H new ATOM 0 HG3 LYS A 14 -22.008 -7.221 -6.834 0.07 0.00 H new ATOM 0 HD2 LYS A 14 -19.835 -6.461 -8.791 0.06 0.00 H new ATOM 0 HD3 LYS A 14 -21.125 -7.534 -9.298 0.06 0.00 H new ATOM 0 HE2 LYS A 14 -22.805 -5.830 -8.567 0.49 0.00 H new ATOM 0 HE3 LYS A 14 -21.498 -4.754 -8.114 0.49 0.00 H new ATOM 0 HZ1 LYS A 14 -22.347 -4.228 -10.305 0.29 0.00 H new ATOM 0 HZ2 LYS A 14 -20.736 -4.754 -10.419 0.29 0.00 H new ATOM 0 HZ3 LYS A 14 -22.003 -5.796 -10.857 0.29 0.00 H new ATOM 255 N ARG A 15 -17.402 -5.940 -7.781 0.75 0.00 N ATOM 256 CA ARG A 15 -16.678 -5.778 -9.038 0.56 0.00 C ATOM 257 C ARG A 15 -15.263 -6.342 -8.931 0.11 0.00 C ATOM 258 O ARG A 15 -14.663 -6.734 -9.933 0.38 0.00 O ATOM 259 CB ARG A 15 -16.629 -4.297 -9.431 0.20 0.00 C ATOM 260 CG ARG A 15 -15.983 -4.040 -10.783 0.52 0.00 C ATOM 261 CD ARG A 15 -16.812 -4.620 -11.918 0.38 0.00 C ATOM 262 NE ARG A 15 -16.242 -4.309 -13.225 0.12 0.00 N ATOM 263 CZ ARG A 15 -16.842 -4.590 -14.380 1.00 0.00 C ATOM 264 NH1 ARG A 15 -18.026 -5.186 -14.390 1.00 0.00 N ATOM 265 NH2 ARG A 15 -16.255 -4.272 -15.526 1.00 0.00 N ATOM 0 H ARG A 15 -17.439 -5.100 -7.204 0.75 0.00 H new ATOM 0 HA ARG A 15 -17.208 -6.334 -9.811 0.56 0.00 H new ATOM 0 HB2 ARG A 15 -17.644 -3.901 -9.443 0.20 0.00 H new ATOM 0 HB3 ARG A 15 -16.081 -3.746 -8.667 0.20 0.00 H new ATOM 0 HG2 ARG A 15 -15.862 -2.967 -10.931 0.52 0.00 H new ATOM 0 HG3 ARG A 15 -14.985 -4.478 -10.799 0.52 0.00 H new ATOM 0 HD2 ARG A 15 -16.881 -5.701 -11.801 0.38 0.00 H new ATOM 0 HD3 ARG A 15 -17.827 -4.228 -11.863 0.38 0.00 H new ATOM 0 HE ARG A 15 -15.332 -3.850 -13.255 0.12 0.00 H new ATOM 0 HH11 ARG A 15 -18.481 -5.431 -13.511 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.482 -5.399 -15.277 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.344 -3.812 -15.522 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.714 -4.487 -16.411 1.00 0.00 H new ATOM 279 N LEU A 16 -14.738 -6.382 -7.710 0.14 0.00 N ATOM 280 CA LEU A 16 -13.389 -6.887 -7.472 0.06 0.00 C ATOM 281 C LEU A 16 -13.312 -8.396 -7.699 0.21 0.00 C ATOM 282 O LEU A 16 -12.365 -8.889 -8.311 0.24 0.00 O ATOM 283 CB LEU A 16 -12.948 -6.544 -6.046 0.78 0.00 C ATOM 284 CG LEU A 16 -11.454 -6.720 -5.760 1.00 0.00 C ATOM 285 CD1 LEU A 16 -11.009 -5.772 -4.657 1.00 0.00 C ATOM 286 CD2 LEU A 16 -11.148 -8.160 -5.373 1.00 0.00 C ATOM 0 H LEU A 16 -15.226 -6.071 -6.870 0.14 0.00 H new ATOM 0 HA LEU A 16 -12.717 -6.407 -8.183 0.06 0.00 H new ATOM 0 HB2 LEU A 16 -13.221 -5.509 -5.838 0.78 0.00 H new ATOM 0 HB3 LEU A 16 -13.510 -7.167 -5.350 0.78 0.00 H new ATOM 0 HG LEU A 16 -10.901 -6.482 -6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.945 -5.910 -4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.192 -4.743 -4.966 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.571 -5.983 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.081 -8.264 -5.174 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.712 -8.424 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.431 -8.824 -6.189 1.00 0.00 H new ATOM 298 N GLN A 17 -14.309 -9.123 -7.204 0.18 0.00 N ATOM 299 CA GLN A 17 -14.345 -10.571 -7.351 1.00 0.00 C ATOM 300 C GLN A 17 -14.531 -10.977 -8.810 0.06 0.00 C ATOM 301 O GLN A 17 -14.064 -12.035 -9.232 0.08 0.00 O ATOM 302 CB GLN A 17 -15.468 -11.152 -6.492 0.26 0.00 C ATOM 303 CG GLN A 17 -16.829 -10.536 -6.766 0.28 0.00 C ATOM 304 CD GLN A 17 -17.910 -11.062 -5.841 0.30 0.00 C ATOM 305 OE1 GLN A 17 -19.077 -11.146 -6.220 1.00 0.00 O ATOM 306 NE2 GLN A 17 -17.527 -11.417 -4.619 0.47 0.00 N ATOM 0 H GLN A 17 -15.103 -8.731 -6.697 0.18 0.00 H new ATOM 0 HA GLN A 17 -13.389 -10.971 -7.014 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -15.525 -12.227 -6.663 0.26 0.00 H new ATOM 0 HB3 GLN A 17 -15.220 -11.009 -5.440 0.26 0.00 H new ATOM 0 HG2 GLN A 17 -16.761 -9.453 -6.659 0.28 0.00 H new ATOM 0 HG3 GLN A 17 -17.112 -10.737 -7.799 0.28 0.00 H new ATOM 0 HE21 GLN A 17 -16.548 -11.331 -4.346 0.47 0.00 H new ATOM 0 HE22 GLN A 17 -18.212 -11.776 -3.954 0.47 0.00 H new ATOM 315 N GLU A 18 -15.218 -10.133 -9.577 1.00 0.00 N ATOM 316 CA GLU A 18 -15.460 -10.409 -10.988 0.09 0.00 C ATOM 317 C GLU A 18 -14.150 -10.422 -11.770 0.07 0.00 C ATOM 318 O GLU A 18 -13.864 -11.367 -12.506 0.24 0.00 O ATOM 319 CB GLU A 18 -16.409 -9.365 -11.583 1.00 0.00 C ATOM 320 CG GLU A 18 -17.816 -9.428 -11.016 0.29 0.00 C ATOM 321 CD GLU A 18 -18.507 -10.744 -11.316 0.75 0.00 C ATOM 322 OE1 GLU A 18 -18.353 -11.691 -10.517 0.32 0.00 O ATOM 323 OE2 GLU A 18 -19.204 -10.827 -12.350 0.21 0.00 O ATOM 0 H GLU A 18 -15.615 -9.255 -9.244 1.00 0.00 H new ATOM 0 HA GLU A 18 -15.922 -11.393 -11.064 0.09 0.00 H new ATOM 0 HB2 GLU A 18 -15.999 -8.371 -11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -16.455 -9.502 -12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -17.776 -9.281 -9.937 0.29 0.00 H new ATOM 0 HG3 GLU A 18 -18.407 -8.610 -11.428 0.29 0.00 H new ATOM 330 N ASP A 19 -13.358 -9.368 -11.602 0.13 0.00 N ATOM 331 CA ASP A 19 -12.077 -9.256 -12.289 0.33 0.00 C ATOM 332 C ASP A 19 -11.051 -8.533 -11.414 0.18 0.00 C ATOM 333 O ASP A 19 -10.848 -7.326 -11.553 1.00 0.00 O ATOM 334 CB ASP A 19 -12.248 -8.515 -13.616 0.26 0.00 C ATOM 335 CG ASP A 19 -10.952 -8.421 -14.398 0.36 0.00 C ATOM 336 OD1 ASP A 19 -10.644 -9.369 -15.151 0.38 0.00 O ATOM 337 OD2 ASP A 19 -10.244 -7.402 -14.253 0.15 0.00 O ATOM 0 H ASP A 19 -13.581 -8.579 -10.996 0.13 0.00 H new ATOM 0 HA ASP A 19 -11.711 -10.263 -12.490 0.33 0.00 H new ATOM 0 HB2 ASP A 19 -12.997 -9.026 -14.220 0.26 0.00 H new ATOM 0 HB3 ASP A 19 -12.626 -7.511 -13.422 0.26 0.00 H new ATOM 342 N PRO A 20 -10.398 -9.262 -10.491 1.00 0.00 N ATOM 343 CA PRO A 20 -9.392 -8.681 -9.595 0.25 0.00 C ATOM 344 C PRO A 20 -8.177 -8.148 -10.355 1.00 0.00 C ATOM 345 O PRO A 20 -7.914 -8.565 -11.483 0.56 0.00 O ATOM 346 CB PRO A 20 -8.986 -9.854 -8.695 0.07 0.00 C ATOM 347 CG PRO A 20 -9.368 -11.077 -9.456 0.18 0.00 C ATOM 348 CD PRO A 20 -10.588 -10.702 -10.246 0.10 0.00 C ATOM 0 HA PRO A 20 -9.786 -7.825 -9.046 0.25 0.00 H new ATOM 0 HB2 PRO A 20 -7.917 -9.838 -8.485 0.07 0.00 H new ATOM 0 HB3 PRO A 20 -9.500 -9.811 -7.735 0.07 0.00 H new ATOM 0 HG2 PRO A 20 -8.560 -11.397 -10.113 0.18 0.00 H new ATOM 0 HG3 PRO A 20 -9.578 -11.907 -8.782 0.18 0.00 H new ATOM 0 HD2 PRO A 20 -10.653 -11.264 -11.178 0.10 0.00 H new ATOM 0 HD3 PRO A 20 -11.505 -10.899 -9.690 0.10 0.00 H new ATOM 356 N PRO A 21 -7.418 -7.218 -9.744 0.07 0.00 N ATOM 357 CA PRO A 21 -6.228 -6.632 -10.375 1.00 0.00 C ATOM 358 C PRO A 21 -5.123 -7.663 -10.598 1.00 0.00 C ATOM 359 O PRO A 21 -5.085 -8.696 -9.932 0.48 0.00 O ATOM 360 CB PRO A 21 -5.771 -5.566 -9.374 0.56 0.00 C ATOM 361 CG PRO A 21 -6.355 -5.989 -8.071 0.83 0.00 C ATOM 362 CD PRO A 21 -7.656 -6.663 -8.399 0.29 0.00 C ATOM 0 HA PRO A 21 -6.451 -6.233 -11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.684 -5.514 -9.321 0.56 0.00 H new ATOM 0 HB3 PRO A 21 -6.124 -4.576 -9.662 0.56 0.00 H new ATOM 0 HG2 PRO A 21 -5.685 -6.669 -7.546 0.83 0.00 H new ATOM 0 HG3 PRO A 21 -6.514 -5.131 -7.418 0.83 0.00 H new ATOM 0 HD2 PRO A 21 -7.898 -7.444 -7.678 0.29 0.00 H new ATOM 0 HD3 PRO A 21 -8.487 -5.958 -8.396 0.29 0.00 H new ATOM 370 N VAL A 22 -4.229 -7.373 -11.540 0.09 0.00 N ATOM 371 CA VAL A 22 -3.126 -8.276 -11.851 0.19 0.00 C ATOM 372 C VAL A 22 -1.867 -7.896 -11.075 0.07 0.00 C ATOM 373 O VAL A 22 -1.567 -6.716 -10.898 0.06 0.00 O ATOM 374 CB VAL A 22 -2.808 -8.272 -13.360 0.10 0.00 C ATOM 375 CG1 VAL A 22 -1.726 -9.293 -13.683 0.07 0.00 C ATOM 376 CG2 VAL A 22 -4.064 -8.544 -14.173 1.00 0.00 C ATOM 0 H VAL A 22 -4.247 -6.521 -12.100 0.09 0.00 H new ATOM 0 HA VAL A 22 -3.442 -9.276 -11.555 0.19 0.00 H new ATOM 0 HB VAL A 22 -2.435 -7.284 -13.629 0.10 0.00 H new ATOM 0 HG11 VAL A 22 -1.516 -9.275 -14.752 0.07 0.00 H new ATOM 0 HG12 VAL A 22 -0.819 -9.049 -13.131 0.07 0.00 H new ATOM 0 HG13 VAL A 22 -2.068 -10.288 -13.397 0.07 0.00 H new ATOM 0 HG21 VAL A 22 -3.819 -8.537 -15.235 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.470 -9.518 -13.901 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.805 -7.772 -13.967 1.00 0.00 H new ATOM 386 N GLY A 23 -1.135 -8.908 -10.613 0.10 0.00 N ATOM 387 CA GLY A 23 0.083 -8.664 -9.864 0.27 0.00 C ATOM 388 C GLY A 23 -0.180 -8.425 -8.390 0.57 0.00 C ATOM 389 O GLY A 23 0.702 -8.623 -7.555 0.05 0.00 O ATOM 0 H GLY A 23 -1.366 -9.893 -10.745 0.10 0.00 H new ATOM 0 HA2 GLY A 23 0.752 -9.517 -9.977 0.27 0.00 H new ATOM 0 HA3 GLY A 23 0.596 -7.799 -10.283 0.27 0.00 H new ATOM 393 N VAL A 24 -1.398 -8.000 -8.071 0.28 0.00 N ATOM 394 CA VAL A 24 -1.778 -7.731 -6.689 0.07 0.00 C ATOM 395 C VAL A 24 -3.197 -8.208 -6.408 0.61 0.00 C ATOM 396 O VAL A 24 -4.004 -8.362 -7.324 0.85 0.00 O ATOM 397 CB VAL A 24 -1.685 -6.228 -6.363 0.08 0.00 C ATOM 398 CG1 VAL A 24 -0.237 -5.766 -6.377 0.40 0.00 C ATOM 399 CG2 VAL A 24 -2.517 -5.420 -7.347 1.00 0.00 C ATOM 0 H VAL A 24 -2.139 -7.834 -8.752 0.28 0.00 H new ATOM 0 HA VAL A 24 -1.079 -8.278 -6.057 0.07 0.00 H new ATOM 0 HB VAL A 24 -2.083 -6.066 -5.361 0.08 0.00 H new ATOM 0 HG11 VAL A 24 -0.192 -4.702 -6.145 0.40 0.00 H new ATOM 0 HG12 VAL A 24 0.330 -6.324 -5.632 0.40 0.00 H new ATOM 0 HG13 VAL A 24 0.191 -5.940 -7.364 0.40 0.00 H new ATOM 0 HG21 VAL A 24 -2.441 -4.360 -7.103 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.148 -5.587 -8.359 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.559 -5.733 -7.285 1.00 0.00 H new ATOM 409 N SER A 25 -3.495 -8.439 -5.132 0.05 0.00 N ATOM 410 CA SER A 25 -4.822 -8.892 -4.731 0.20 0.00 C ATOM 411 C SER A 25 -5.247 -8.232 -3.425 0.12 0.00 C ATOM 412 O SER A 25 -4.425 -7.997 -2.541 0.38 0.00 O ATOM 413 CB SER A 25 -4.844 -10.413 -4.580 0.18 0.00 C ATOM 414 OG SER A 25 -6.146 -10.876 -4.265 1.00 0.00 O ATOM 0 H SER A 25 -2.838 -8.320 -4.361 0.05 0.00 H new ATOM 0 HA SER A 25 -5.528 -8.604 -5.510 0.20 0.00 H new ATOM 0 HB2 SER A 25 -4.503 -10.878 -5.505 0.18 0.00 H new ATOM 0 HB3 SER A 25 -4.148 -10.714 -3.797 0.18 0.00 H new ATOM 0 HG SER A 25 -6.133 -11.852 -4.175 1.00 0.00 H new ATOM 420 N GLY A 26 -6.537 -7.938 -3.310 0.10 0.00 N ATOM 421 CA GLY A 26 -7.051 -7.307 -2.108 0.53 0.00 C ATOM 422 C GLY A 26 -8.485 -7.704 -1.812 0.19 0.00 C ATOM 423 O GLY A 26 -9.388 -7.422 -2.600 0.62 0.00 O ATOM 0 H GLY A 26 -7.237 -8.125 -4.028 0.10 0.00 H new ATOM 0 HA2 GLY A 26 -6.420 -7.578 -1.261 0.53 0.00 H new ATOM 0 HA3 GLY A 26 -6.992 -6.224 -2.216 0.53 0.00 H new ATOM 427 N ALA A 27 -8.692 -8.359 -0.675 0.05 0.00 N ATOM 428 CA ALA A 27 -10.023 -8.796 -0.274 0.20 0.00 C ATOM 429 C ALA A 27 -10.079 -9.079 1.227 0.06 0.00 C ATOM 430 O ALA A 27 -9.071 -9.445 1.832 0.14 0.00 O ATOM 431 CB ALA A 27 -10.430 -10.032 -1.064 0.28 0.00 C ATOM 0 H ALA A 27 -7.953 -8.599 -0.014 0.05 0.00 H new ATOM 0 HA ALA A 27 -10.726 -7.992 -0.491 0.20 0.00 H new ATOM 0 HB1 ALA A 27 -11.426 -10.349 -0.756 0.28 0.00 H new ATOM 0 HB2 ALA A 27 -10.437 -9.797 -2.128 0.28 0.00 H new ATOM 0 HB3 ALA A 27 -9.718 -10.836 -0.874 0.28 0.00 H new ATOM 437 N PRO A 28 -11.263 -8.916 1.852 0.40 0.00 N ATOM 438 CA PRO A 28 -11.435 -9.155 3.289 0.26 0.00 C ATOM 439 C PRO A 28 -11.264 -10.626 3.657 0.14 0.00 C ATOM 440 O PRO A 28 -12.053 -11.475 3.244 0.31 0.00 O ATOM 441 CB PRO A 28 -12.872 -8.700 3.559 1.00 0.00 C ATOM 442 CG PRO A 28 -13.560 -8.813 2.243 0.80 0.00 C ATOM 443 CD PRO A 28 -12.521 -8.488 1.209 0.51 0.00 C ATOM 0 HA PRO A 28 -10.689 -8.625 3.881 0.26 0.00 H new ATOM 0 HB2 PRO A 28 -13.351 -9.327 4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.899 -7.677 3.933 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.958 -9.817 2.095 0.80 0.00 H new ATOM 0 HG3 PRO A 28 -14.402 -8.124 2.181 0.80 0.00 H new ATOM 0 HD2 PRO A 28 -12.699 -9.023 0.276 0.51 0.00 H new ATOM 0 HD3 PRO A 28 -12.510 -7.425 0.969 0.51 0.00 H new ATOM 451 N SER A 29 -10.228 -10.919 4.438 0.09 0.00 N ATOM 452 CA SER A 29 -9.950 -12.288 4.861 0.40 0.00 C ATOM 453 C SER A 29 -10.455 -12.537 6.278 0.17 0.00 C ATOM 454 O SER A 29 -11.433 -13.255 6.483 0.37 0.00 O ATOM 455 CB SER A 29 -8.447 -12.573 4.785 1.00 0.00 C ATOM 456 OG SER A 29 -7.965 -12.420 3.462 0.37 0.00 O ATOM 0 H SER A 29 -9.567 -10.227 4.791 0.09 0.00 H new ATOM 0 HA SER A 29 -10.476 -12.962 4.185 0.40 0.00 H new ATOM 0 HB2 SER A 29 -7.911 -11.896 5.451 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.248 -13.587 5.133 1.00 0.00 H new ATOM 0 HG SER A 29 -7.003 -12.606 3.441 0.37 0.00 H new ATOM 462 N GLU A 30 -9.779 -11.936 7.254 1.00 0.00 N ATOM 463 CA GLU A 30 -10.156 -12.091 8.654 0.07 0.00 C ATOM 464 C GLU A 30 -11.284 -11.132 9.023 1.00 0.00 C ATOM 465 O GLU A 30 -12.386 -11.558 9.367 0.08 0.00 O ATOM 466 CB GLU A 30 -8.945 -11.850 9.557 0.14 0.00 C ATOM 467 CG GLU A 30 -9.238 -12.038 11.037 1.00 0.00 C ATOM 468 CD GLU A 30 -8.007 -11.858 11.902 0.67 0.00 C ATOM 469 OE1 GLU A 30 -7.725 -10.710 12.306 0.68 0.00 O ATOM 470 OE2 GLU A 30 -7.324 -12.867 12.177 0.19 0.00 O ATOM 0 H GLU A 30 -8.968 -11.337 7.100 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.511 -13.111 8.800 0.07 0.00 H new ATOM 0 HB2 GLU A 30 -8.145 -12.530 9.265 0.14 0.00 H new ATOM 0 HB3 GLU A 30 -8.578 -10.837 9.394 0.14 0.00 H new ATOM 0 HG2 GLU A 30 -10.002 -11.325 11.346 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.649 -13.035 11.199 1.00 0.00 H new ATOM 477 N ASN A 31 -10.999 -9.836 8.948 0.14 0.00 N ATOM 478 CA ASN A 31 -11.986 -8.814 9.274 0.06 0.00 C ATOM 479 C ASN A 31 -13.146 -8.836 8.287 0.18 0.00 C ATOM 480 O ASN A 31 -12.964 -9.133 7.105 0.80 0.00 O ATOM 481 CB ASN A 31 -11.341 -7.430 9.284 0.79 0.00 C ATOM 482 CG ASN A 31 -12.302 -6.358 9.760 1.00 0.00 C ATOM 483 OD1 ASN A 31 -12.283 -5.961 10.925 1.00 0.00 O ATOM 484 ND2 ASN A 31 -13.162 -5.895 8.860 0.07 0.00 N ATOM 0 H ASN A 31 -10.091 -9.469 8.664 0.14 0.00 H new ATOM 0 HA ASN A 31 -12.375 -9.033 10.268 0.06 0.00 H new ATOM 0 HB2 ASN A 31 -10.464 -7.444 9.931 0.79 0.00 H new ATOM 0 HB3 ASN A 31 -10.993 -7.185 8.280 0.79 0.00 H new ATOM 0 HD21 ASN A 31 -13.842 -5.182 9.124 0.07 0.00 H new ATOM 0 HD22 ASN A 31 -13.142 -6.252 7.905 0.07 0.00 H new ATOM 491 N ASN A 32 -14.340 -8.520 8.781 0.14 0.00 N ATOM 492 CA ASN A 32 -15.538 -8.505 7.947 0.09 0.00 C ATOM 493 C ASN A 32 -15.385 -7.554 6.760 0.35 0.00 C ATOM 494 O ASN A 32 -15.018 -7.974 5.663 0.06 0.00 O ATOM 495 CB ASN A 32 -16.761 -8.113 8.779 1.00 0.00 C ATOM 496 CG ASN A 32 -17.042 -9.099 9.895 0.88 0.00 C ATOM 497 OD1 ASN A 32 -16.126 -9.712 10.446 0.16 0.00 O ATOM 498 ND2 ASN A 32 -18.316 -9.260 10.235 0.41 0.00 N ATOM 0 H ASN A 32 -14.504 -8.270 9.756 0.14 0.00 H new ATOM 0 HA ASN A 32 -15.679 -9.512 7.554 0.09 0.00 H new ATOM 0 HB2 ASN A 32 -16.605 -7.122 9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -17.633 -8.047 8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.567 -9.912 10.979 0.41 0.00 H new ATOM 0 HD22 ASN A 32 -19.043 -8.732 9.753 0.41 0.00 H new ATOM 505 N ILE A 33 -15.670 -6.271 6.983 1.00 0.00 N ATOM 506 CA ILE A 33 -15.576 -5.276 5.918 0.34 0.00 C ATOM 507 C ILE A 33 -14.644 -4.123 6.293 0.24 0.00 C ATOM 508 O ILE A 33 -14.051 -3.489 5.420 0.11 0.00 O ATOM 509 CB ILE A 33 -16.966 -4.708 5.564 0.27 0.00 C ATOM 510 CG1 ILE A 33 -16.870 -3.762 4.363 0.19 0.00 C ATOM 511 CG2 ILE A 33 -17.569 -3.993 6.766 0.11 0.00 C ATOM 512 CD1 ILE A 33 -18.216 -3.370 3.791 0.15 0.00 C ATOM 0 H ILE A 33 -15.966 -5.899 7.886 1.00 0.00 H new ATOM 0 HA ILE A 33 -15.162 -5.789 5.050 0.34 0.00 H new ATOM 0 HB ILE A 33 -17.620 -5.537 5.294 0.27 0.00 H new ATOM 0 HG12 ILE A 33 -16.336 -2.861 4.663 0.19 0.00 H new ATOM 0 HG13 ILE A 33 -16.278 -4.239 3.582 0.19 0.00 H new ATOM 0 HG21 ILE A 33 -18.549 -3.598 6.500 0.11 0.00 H new ATOM 0 HG22 ILE A 33 -17.673 -4.696 7.593 0.11 0.00 H new ATOM 0 HG23 ILE A 33 -16.917 -3.173 7.066 0.11 0.00 H new ATOM 0 HD11 ILE A 33 -18.070 -2.700 2.944 0.15 0.00 H new ATOM 0 HD12 ILE A 33 -18.745 -4.264 3.459 0.15 0.00 H new ATOM 0 HD13 ILE A 33 -18.804 -2.864 4.557 0.15 0.00 H new ATOM 524 N MET A 34 -14.523 -3.854 7.588 0.11 0.00 N ATOM 525 CA MET A 34 -13.667 -2.773 8.069 0.43 0.00 C ATOM 526 C MET A 34 -12.258 -2.884 7.489 1.00 0.00 C ATOM 527 O MET A 34 -11.886 -2.133 6.586 1.00 0.00 O ATOM 528 CB MET A 34 -13.607 -2.776 9.597 0.37 0.00 C ATOM 529 CG MET A 34 -14.894 -2.309 10.261 0.18 0.00 C ATOM 530 SD MET A 34 -16.283 -3.418 9.955 0.05 0.00 S ATOM 531 CE MET A 34 -17.572 -2.605 10.897 1.00 0.00 C ATOM 0 H MET A 34 -15.006 -4.369 8.324 0.11 0.00 H new ATOM 0 HA MET A 34 -14.101 -1.831 7.734 0.43 0.00 H new ATOM 0 HB2 MET A 34 -13.377 -3.784 9.941 0.37 0.00 H new ATOM 0 HB3 MET A 34 -12.788 -2.134 9.921 0.37 0.00 H new ATOM 0 HG2 MET A 34 -14.733 -2.225 11.336 0.18 0.00 H new ATOM 0 HG3 MET A 34 -15.144 -1.312 9.897 0.18 0.00 H new ATOM 0 HE1 MET A 34 -18.499 -3.171 10.809 1.00 0.00 H new ATOM 0 HE2 MET A 34 -17.278 -2.551 11.945 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.724 -1.597 10.511 1.00 0.00 H new ATOM 541 N GLN A 35 -11.478 -3.822 8.014 0.24 0.00 N ATOM 542 CA GLN A 35 -10.114 -4.031 7.547 1.00 0.00 C ATOM 543 C GLN A 35 -10.077 -5.031 6.399 1.00 0.00 C ATOM 544 O GLN A 35 -10.842 -5.995 6.373 0.87 0.00 O ATOM 545 CB GLN A 35 -9.224 -4.512 8.691 0.13 0.00 C ATOM 546 CG GLN A 35 -8.766 -3.387 9.601 0.22 0.00 C ATOM 547 CD GLN A 35 -8.026 -3.884 10.826 1.00 0.00 C ATOM 548 OE1 GLN A 35 -8.630 -4.145 11.868 0.07 0.00 O ATOM 549 NE2 GLN A 35 -6.710 -4.014 10.707 0.70 0.00 N ATOM 0 H GLN A 35 -11.768 -4.450 8.764 0.24 0.00 H new ATOM 0 HA GLN A 35 -9.734 -3.076 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.767 -5.250 9.281 0.13 0.00 H new ATOM 0 HB3 GLN A 35 -8.350 -5.015 8.277 0.13 0.00 H new ATOM 0 HG2 GLN A 35 -8.118 -2.713 9.040 0.22 0.00 H new ATOM 0 HG3 GLN A 35 -9.633 -2.806 9.917 0.22 0.00 H new ATOM 0 HE21 GLN A 35 -6.253 -3.786 9.824 0.70 0.00 H new ATOM 0 HE22 GLN A 35 -6.156 -4.342 11.498 0.70 0.00 H new ATOM 558 N TRP A 36 -9.183 -4.788 5.451 0.09 0.00 N ATOM 559 CA TRP A 36 -9.040 -5.658 4.290 0.18 0.00 C ATOM 560 C TRP A 36 -7.637 -6.251 4.212 1.00 0.00 C ATOM 561 O TRP A 36 -6.655 -5.595 4.558 0.17 0.00 O ATOM 562 CB TRP A 36 -9.350 -4.885 3.004 0.67 0.00 C ATOM 563 CG TRP A 36 -10.815 -4.770 2.709 1.00 0.00 C ATOM 564 CD1 TRP A 36 -11.816 -4.527 3.606 0.06 0.00 C ATOM 565 CD2 TRP A 36 -11.444 -4.893 1.429 1.00 0.00 C ATOM 566 NE1 TRP A 36 -13.028 -4.495 2.961 0.58 0.00 N ATOM 567 CE2 TRP A 36 -12.828 -4.716 1.624 0.33 0.00 C ATOM 568 CE3 TRP A 36 -10.973 -5.136 0.136 1.00 0.00 C ATOM 569 CZ2 TRP A 36 -13.741 -4.774 0.574 0.85 0.00 C ATOM 570 CZ3 TRP A 36 -11.880 -5.194 -0.905 1.00 0.00 C ATOM 571 CH2 TRP A 36 -13.250 -5.014 -0.680 0.07 0.00 C ATOM 0 H TRP A 36 -8.544 -3.993 5.462 0.09 0.00 H new ATOM 0 HA TRP A 36 -9.752 -6.477 4.398 0.18 0.00 H new ATOM 0 HB2 TRP A 36 -8.924 -3.885 3.080 0.67 0.00 H new ATOM 0 HB3 TRP A 36 -8.857 -5.378 2.166 0.67 0.00 H new ATOM 0 HD1 TRP A 36 -11.675 -4.381 4.667 0.06 0.00 H new ATOM 0 HE1 TRP A 36 -13.931 -4.333 3.406 0.58 0.00 H new ATOM 0 HE3 TRP A 36 -9.918 -5.276 -0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -14.798 -4.635 0.744 0.85 0.00 H new ATOM 0 HZ3 TRP A 36 -11.526 -5.381 -1.908 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -13.934 -5.066 -1.514 0.07 0.00 H new ATOM 582 N ASN A 37 -7.558 -7.498 3.760 1.00 0.00 N ATOM 583 CA ASN A 37 -6.277 -8.183 3.626 0.22 0.00 C ATOM 584 C ASN A 37 -5.824 -8.191 2.171 0.15 0.00 C ATOM 585 O ASN A 37 -6.447 -8.827 1.322 0.34 0.00 O ATOM 586 CB ASN A 37 -6.382 -9.618 4.147 0.91 0.00 C ATOM 587 CG ASN A 37 -5.078 -10.381 4.003 1.00 0.00 C ATOM 588 OD1 ASN A 37 -4.241 -10.380 4.907 0.41 0.00 O ATOM 589 ND2 ASN A 37 -4.897 -11.036 2.862 0.97 0.00 N ATOM 0 H ASN A 37 -8.365 -8.055 3.480 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.539 -7.645 4.220 0.22 0.00 H new ATOM 0 HB2 ASN A 37 -6.676 -9.600 5.197 0.91 0.00 H new ATOM 0 HB3 ASN A 37 -7.169 -10.142 3.605 0.91 0.00 H new ATOM 0 HD21 ASN A 37 -4.039 -11.565 2.708 0.97 0.00 H new ATOM 0 HD22 ASN A 37 -5.616 -11.010 2.139 0.97 0.00 H new ATOM 596 N ALA A 38 -4.738 -7.478 1.888 0.05 0.00 N ATOM 597 CA ALA A 38 -4.209 -7.399 0.532 0.17 0.00 C ATOM 598 C ALA A 38 -2.725 -7.748 0.495 0.07 0.00 C ATOM 599 O ALA A 38 -1.997 -7.520 1.461 1.00 0.00 O ATOM 600 CB ALA A 38 -4.440 -6.012 -0.043 1.00 0.00 C ATOM 0 H ALA A 38 -4.208 -6.947 2.579 0.05 0.00 H new ATOM 0 HA ALA A 38 -4.740 -8.129 -0.079 0.17 0.00 H new ATOM 0 HB1 ALA A 38 -4.040 -5.967 -1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.509 -5.801 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.937 -5.272 0.579 1.00 0.00 H new ATOM 606 N VAL A 39 -2.288 -8.306 -0.630 1.00 0.00 N ATOM 607 CA VAL A 39 -0.891 -8.690 -0.805 0.08 0.00 C ATOM 608 C VAL A 39 -0.325 -8.111 -2.096 0.13 0.00 C ATOM 609 O VAL A 39 -0.910 -8.265 -3.168 0.28 0.00 O ATOM 610 CB VAL A 39 -0.730 -10.221 -0.826 0.24 0.00 C ATOM 611 CG1 VAL A 39 0.736 -10.606 -0.958 1.00 0.00 C ATOM 612 CG2 VAL A 39 -1.341 -10.838 0.422 0.80 0.00 C ATOM 0 H VAL A 39 -2.882 -8.503 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.339 -8.287 0.044 0.08 0.00 H new ATOM 0 HB VAL A 39 -1.261 -10.611 -1.695 0.24 0.00 H new ATOM 0 HG11 VAL A 39 0.827 -11.692 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.137 -10.197 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.295 -10.205 -0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.218 -11.921 0.390 0.80 0.00 H new ATOM 0 HG22 VAL A 39 -0.841 -10.442 1.306 0.80 0.00 H new ATOM 0 HG23 VAL A 39 -2.403 -10.595 0.466 0.80 0.00 H new ATOM 622 N ILE A 40 0.820 -7.443 -1.984 0.47 0.00 N ATOM 623 CA ILE A 40 1.468 -6.841 -3.143 0.35 0.00 C ATOM 624 C ILE A 40 2.828 -7.482 -3.401 1.00 0.00 C ATOM 625 O ILE A 40 3.677 -7.536 -2.512 1.00 0.00 O ATOM 626 CB ILE A 40 1.657 -5.321 -2.955 0.48 0.00 C ATOM 627 CG1 ILE A 40 0.299 -4.637 -2.766 1.00 0.00 C ATOM 628 CG2 ILE A 40 2.398 -4.723 -4.144 0.09 0.00 C ATOM 629 CD1 ILE A 40 0.399 -3.153 -2.483 0.21 0.00 C ATOM 0 H ILE A 40 1.317 -7.306 -1.104 0.47 0.00 H new ATOM 0 HA ILE A 40 0.816 -7.015 -3.999 0.35 0.00 H new ATOM 0 HB ILE A 40 2.257 -5.153 -2.060 0.48 0.00 H new ATOM 0 HG12 ILE A 40 -0.301 -4.787 -3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.230 -5.120 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.522 -3.651 -3.994 0.09 0.00 H new ATOM 0 HG22 ILE A 40 3.378 -5.192 -4.236 0.09 0.00 H new ATOM 0 HG23 ILE A 40 1.825 -4.898 -5.055 0.09 0.00 H new ATOM 0 HD11 ILE A 40 -0.601 -2.738 -2.361 0.21 0.00 H new ATOM 0 HD12 ILE A 40 0.972 -2.995 -1.569 0.21 0.00 H new ATOM 0 HD13 ILE A 40 0.899 -2.657 -3.315 0.21 0.00 H new ATOM 641 N PHE A 41 3.027 -7.966 -4.623 0.37 0.00 N ATOM 642 CA PHE A 41 4.284 -8.600 -4.997 0.13 0.00 C ATOM 643 C PHE A 41 5.186 -7.616 -5.737 0.98 0.00 C ATOM 644 O PHE A 41 4.715 -6.824 -6.554 0.93 0.00 O ATOM 645 CB PHE A 41 4.023 -9.832 -5.867 0.43 0.00 C ATOM 646 CG PHE A 41 3.113 -10.839 -5.219 0.39 0.00 C ATOM 647 CD1 PHE A 41 3.479 -11.467 -4.039 1.00 0.00 C ATOM 648 CD2 PHE A 41 1.893 -11.161 -5.792 1.00 0.00 C ATOM 649 CE1 PHE A 41 2.646 -12.394 -3.442 1.00 0.00 C ATOM 650 CE2 PHE A 41 1.056 -12.087 -5.201 0.24 0.00 C ATOM 651 CZ PHE A 41 1.433 -12.706 -4.025 0.09 0.00 C ATOM 0 H PHE A 41 2.333 -7.931 -5.370 0.37 0.00 H new ATOM 0 HA PHE A 41 4.791 -8.915 -4.085 0.13 0.00 H new ATOM 0 HB2 PHE A 41 3.585 -9.513 -6.813 0.43 0.00 H new ATOM 0 HB3 PHE A 41 4.974 -10.310 -6.101 0.43 0.00 H new ATOM 0 HD1 PHE A 41 4.427 -11.229 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.593 -10.682 -6.712 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.943 -12.874 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.107 -12.327 -5.658 0.24 0.00 H new ATOM 0 HZ PHE A 41 0.781 -13.432 -3.562 0.09 0.00 H new ATOM 661 N GLY A 42 6.482 -7.673 -5.444 0.52 0.00 N ATOM 662 CA GLY A 42 7.429 -6.779 -6.084 0.34 0.00 C ATOM 663 C GLY A 42 7.430 -6.912 -7.600 1.00 0.00 C ATOM 664 O GLY A 42 7.345 -8.024 -8.121 1.00 0.00 O ATOM 0 H GLY A 42 6.893 -8.323 -4.774 0.52 0.00 H new ATOM 0 HA2 GLY A 42 7.191 -5.750 -5.814 0.34 0.00 H new ATOM 0 HA3 GLY A 42 8.430 -6.985 -5.705 0.34 0.00 H new ATOM 668 N PRO A 43 7.526 -5.789 -8.340 0.28 0.00 N ATOM 669 CA PRO A 43 7.537 -5.810 -9.805 0.16 0.00 C ATOM 670 C PRO A 43 8.866 -6.300 -10.369 1.00 0.00 C ATOM 671 O PRO A 43 9.909 -6.164 -9.732 0.09 0.00 O ATOM 672 CB PRO A 43 7.305 -4.346 -10.178 1.00 0.00 C ATOM 673 CG PRO A 43 7.862 -3.574 -9.035 0.24 0.00 C ATOM 674 CD PRO A 43 7.630 -4.415 -7.809 0.74 0.00 C ATOM 0 HA PRO A 43 6.790 -6.493 -10.210 0.16 0.00 H new ATOM 0 HB2 PRO A 43 7.807 -4.090 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.245 -4.136 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.925 -3.379 -9.178 0.24 0.00 H new ATOM 0 HG3 PRO A 43 7.370 -2.606 -8.942 0.24 0.00 H new ATOM 0 HD2 PRO A 43 8.451 -4.322 -7.098 0.74 0.00 H new ATOM 0 HD3 PRO A 43 6.721 -4.118 -7.286 0.74 0.00 H new ATOM 682 N GLU A 44 8.818 -6.869 -11.568 0.40 0.00 N ATOM 683 CA GLU A 44 10.017 -7.381 -12.221 1.00 0.00 C ATOM 684 C GLU A 44 10.972 -6.246 -12.573 0.10 0.00 C ATOM 685 O GLU A 44 10.651 -5.383 -13.389 0.08 0.00 O ATOM 686 CB GLU A 44 9.647 -8.162 -13.484 0.07 0.00 C ATOM 687 CG GLU A 44 10.846 -8.765 -14.198 0.67 0.00 C ATOM 688 CD GLU A 44 10.462 -9.495 -15.469 0.05 0.00 C ATOM 689 OE1 GLU A 44 10.082 -10.681 -15.382 0.14 0.00 O ATOM 690 OE2 GLU A 44 10.543 -8.880 -16.553 0.45 0.00 O ATOM 0 H GLU A 44 7.961 -6.987 -12.108 0.40 0.00 H new ATOM 0 HA GLU A 44 10.519 -8.052 -11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.954 -8.960 -13.218 0.07 0.00 H new ATOM 0 HB3 GLU A 44 9.121 -7.499 -14.171 0.07 0.00 H new ATOM 0 HG2 GLU A 44 11.556 -7.974 -14.438 0.67 0.00 H new ATOM 0 HG3 GLU A 44 11.354 -9.456 -13.526 0.67 0.00 H new ATOM 697 N GLY A 45 12.148 -6.253 -11.952 1.00 0.00 N ATOM 698 CA GLY A 45 13.132 -5.220 -12.211 0.05 0.00 C ATOM 699 C GLY A 45 13.477 -4.427 -10.965 0.39 0.00 C ATOM 700 O GLY A 45 14.042 -3.337 -11.051 1.00 0.00 O ATOM 0 H GLY A 45 12.436 -6.958 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.038 -5.676 -12.611 0.05 0.00 H new ATOM 0 HA3 GLY A 45 12.752 -4.543 -12.976 0.05 0.00 H new ATOM 704 N THR A 46 13.132 -4.977 -9.804 0.65 0.00 N ATOM 705 CA THR A 46 13.406 -4.319 -8.532 1.00 0.00 C ATOM 706 C THR A 46 13.961 -5.309 -7.511 0.60 0.00 C ATOM 707 O THR A 46 13.750 -6.514 -7.634 0.11 0.00 O ATOM 708 CB THR A 46 12.135 -3.667 -7.954 0.12 0.00 C ATOM 709 OG1 THR A 46 11.087 -4.638 -7.846 0.37 0.00 O ATOM 710 CG2 THR A 46 11.674 -2.510 -8.826 1.00 0.00 C ATOM 0 H THR A 46 12.662 -5.878 -9.719 0.65 0.00 H new ATOM 0 HA THR A 46 14.148 -3.545 -8.728 1.00 0.00 H new ATOM 0 HB THR A 46 12.373 -3.281 -6.963 0.12 0.00 H new ATOM 0 HG1 THR A 46 10.872 -4.988 -8.736 0.37 0.00 H new ATOM 0 HG21 THR A 46 10.775 -2.067 -8.397 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.461 -1.757 -8.878 1.00 0.00 H new ATOM 0 HG23 THR A 46 11.455 -2.875 -9.829 1.00 0.00 H new ATOM 718 N PRO A 47 14.682 -4.815 -6.486 0.15 0.00 N ATOM 719 CA PRO A 47 15.259 -5.668 -5.443 0.08 0.00 C ATOM 720 C PRO A 47 14.187 -6.328 -4.580 0.07 0.00 C ATOM 721 O PRO A 47 14.498 -7.069 -3.648 1.00 0.00 O ATOM 722 CB PRO A 47 16.100 -4.704 -4.594 1.00 0.00 C ATOM 723 CG PRO A 47 16.229 -3.460 -5.409 0.07 0.00 C ATOM 724 CD PRO A 47 14.997 -3.397 -6.263 1.00 0.00 C ATOM 0 HA PRO A 47 15.837 -6.487 -5.872 0.08 0.00 H new ATOM 0 HB2 PRO A 47 15.616 -4.499 -3.639 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.078 -5.130 -4.371 1.00 0.00 H new ATOM 0 HG2 PRO A 47 16.306 -2.581 -4.770 0.07 0.00 H new ATOM 0 HG3 PRO A 47 17.129 -3.487 -6.023 0.07 0.00 H new ATOM 0 HD2 PRO A 47 14.182 -2.876 -5.760 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.181 -2.871 -7.200 1.00 0.00 H new ATOM 732 N PHE A 48 12.927 -6.052 -4.898 0.13 0.00 N ATOM 733 CA PHE A 48 11.807 -6.612 -4.150 1.00 0.00 C ATOM 734 C PHE A 48 11.095 -7.693 -4.959 0.67 0.00 C ATOM 735 O PHE A 48 10.223 -8.391 -4.443 0.53 0.00 O ATOM 736 CB PHE A 48 10.815 -5.508 -3.778 0.95 0.00 C ATOM 737 CG PHE A 48 11.462 -4.295 -3.167 0.08 0.00 C ATOM 738 CD1 PHE A 48 11.988 -3.296 -3.971 0.69 0.00 C ATOM 739 CD2 PHE A 48 11.540 -4.153 -1.791 0.12 0.00 C ATOM 740 CE1 PHE A 48 12.580 -2.180 -3.414 0.13 0.00 C ATOM 741 CE2 PHE A 48 12.129 -3.038 -1.228 0.25 0.00 C ATOM 742 CZ PHE A 48 12.650 -2.050 -2.040 0.18 0.00 C ATOM 0 H PHE A 48 12.655 -5.443 -5.670 0.13 0.00 H new ATOM 0 HA PHE A 48 12.202 -7.064 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.269 -5.206 -4.672 0.95 0.00 H new ATOM 0 HB3 PHE A 48 10.083 -5.910 -3.078 0.95 0.00 H new ATOM 0 HD1 PHE A 48 11.934 -3.392 -5.045 0.69 0.00 H new ATOM 0 HD2 PHE A 48 11.135 -4.923 -1.151 0.12 0.00 H new ATOM 0 HE1 PHE A 48 12.988 -1.409 -4.051 0.13 0.00 H new ATOM 0 HE2 PHE A 48 12.182 -2.939 -0.154 0.25 0.00 H new ATOM 0 HZ PHE A 48 13.111 -1.177 -1.602 0.18 0.00 H new ATOM 752 N GLU A 49 11.468 -7.819 -6.229 0.06 0.00 N ATOM 753 CA GLU A 49 10.860 -8.815 -7.108 0.10 0.00 C ATOM 754 C GLU A 49 11.046 -10.224 -6.551 0.15 0.00 C ATOM 755 O GLU A 49 10.233 -11.113 -6.799 1.00 0.00 O ATOM 756 CB GLU A 49 11.466 -8.726 -8.512 0.05 0.00 C ATOM 757 CG GLU A 49 12.884 -9.268 -8.606 0.08 0.00 C ATOM 758 CD GLU A 49 13.440 -9.206 -10.016 0.88 0.00 C ATOM 759 OE1 GLU A 49 13.997 -8.151 -10.388 0.10 0.00 O ATOM 760 OE2 GLU A 49 13.320 -10.211 -10.747 0.14 0.00 O ATOM 0 H GLU A 49 12.186 -7.246 -6.672 0.06 0.00 H new ATOM 0 HA GLU A 49 9.792 -8.605 -7.165 0.10 0.00 H new ATOM 0 HB2 GLU A 49 10.831 -9.275 -9.207 0.05 0.00 H new ATOM 0 HB3 GLU A 49 11.464 -7.684 -8.833 0.05 0.00 H new ATOM 0 HG2 GLU A 49 13.531 -8.699 -7.939 0.08 0.00 H new ATOM 0 HG3 GLU A 49 12.898 -10.301 -8.259 0.08 0.00 H new ATOM 767 N ASP A 50 12.123 -10.419 -5.794 0.77 0.00 N ATOM 768 CA ASP A 50 12.421 -11.720 -5.206 1.00 0.00 C ATOM 769 C ASP A 50 11.688 -11.916 -3.882 0.64 0.00 C ATOM 770 O ASP A 50 11.499 -13.046 -3.430 1.00 0.00 O ATOM 771 CB ASP A 50 13.929 -11.868 -4.991 0.11 0.00 C ATOM 772 CG ASP A 50 14.498 -10.771 -4.114 0.52 0.00 C ATOM 773 OD1 ASP A 50 14.819 -9.689 -4.649 1.00 0.00 O ATOM 774 OD2 ASP A 50 14.622 -10.994 -2.892 0.10 0.00 O ATOM 0 H ASP A 50 12.803 -9.692 -5.574 0.77 0.00 H new ATOM 0 HA ASP A 50 12.076 -12.486 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.135 -12.837 -4.536 0.11 0.00 H new ATOM 0 HB3 ASP A 50 14.434 -11.856 -5.957 0.11 0.00 H new ATOM 779 N GLY A 51 11.275 -10.813 -3.263 0.18 0.00 N ATOM 780 CA GLY A 51 10.575 -10.897 -1.993 0.65 0.00 C ATOM 781 C GLY A 51 9.101 -10.567 -2.110 0.31 0.00 C ATOM 782 O GLY A 51 8.611 -10.241 -3.192 0.67 0.00 O ATOM 0 H GLY A 51 11.412 -9.866 -3.617 0.18 0.00 H new ATOM 0 HA2 GLY A 51 10.686 -11.903 -1.588 0.65 0.00 H new ATOM 0 HA3 GLY A 51 11.040 -10.214 -1.282 0.65 0.00 H new ATOM 786 N THR A 52 8.394 -10.650 -0.987 1.00 0.00 N ATOM 787 CA THR A 52 6.965 -10.361 -0.953 0.33 0.00 C ATOM 788 C THR A 52 6.609 -9.491 0.247 0.07 0.00 C ATOM 789 O THR A 52 7.217 -9.606 1.312 0.46 0.00 O ATOM 790 CB THR A 52 6.135 -11.657 -0.899 0.16 0.00 C ATOM 791 OG1 THR A 52 6.489 -12.413 0.266 0.07 0.00 O ATOM 792 CG2 THR A 52 6.366 -12.498 -2.144 0.37 0.00 C ATOM 0 H THR A 52 8.790 -10.916 -0.085 1.00 0.00 H new ATOM 0 HA THR A 52 6.727 -9.823 -1.870 0.33 0.00 H new ATOM 0 HB THR A 52 5.080 -11.388 -0.853 0.16 0.00 H new ATOM 0 HG1 THR A 52 5.957 -13.235 0.296 0.07 0.00 H new ATOM 0 HG21 THR A 52 5.770 -13.408 -2.084 0.37 0.00 H new ATOM 0 HG22 THR A 52 6.073 -11.930 -3.027 0.37 0.00 H new ATOM 0 HG23 THR A 52 7.422 -12.760 -2.215 0.37 0.00 H new ATOM 800 N PHE A 53 5.618 -8.621 0.071 0.27 0.00 N ATOM 801 CA PHE A 53 5.181 -7.728 1.140 0.10 0.00 C ATOM 802 C PHE A 53 3.669 -7.794 1.328 0.49 0.00 C ATOM 803 O PHE A 53 2.924 -8.041 0.380 0.06 0.00 O ATOM 804 CB PHE A 53 5.606 -6.290 0.835 0.91 0.00 C ATOM 805 CG PHE A 53 7.086 -6.061 0.963 0.42 0.00 C ATOM 806 CD1 PHE A 53 7.953 -6.481 -0.032 1.00 0.00 C ATOM 807 CD2 PHE A 53 7.609 -5.430 2.081 0.08 0.00 C ATOM 808 CE1 PHE A 53 9.315 -6.275 0.085 0.07 0.00 C ATOM 809 CE2 PHE A 53 8.968 -5.221 2.202 1.00 0.00 C ATOM 810 CZ PHE A 53 9.823 -5.644 1.203 1.00 0.00 C ATOM 0 H PHE A 53 5.102 -8.515 -0.803 0.27 0.00 H new ATOM 0 HA PHE A 53 5.655 -8.054 2.066 0.10 0.00 H new ATOM 0 HB2 PHE A 53 5.293 -6.034 -0.177 0.91 0.00 H new ATOM 0 HB3 PHE A 53 5.082 -5.614 1.511 0.91 0.00 H new ATOM 0 HD1 PHE A 53 7.561 -6.975 -0.909 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.946 -5.098 2.866 0.08 0.00 H new ATOM 0 HE1 PHE A 53 9.981 -6.607 -0.697 0.07 0.00 H new ATOM 0 HE2 PHE A 53 9.363 -4.727 3.077 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.887 -5.481 1.296 1.00 0.00 H new ATOM 820 N LYS A 54 3.226 -7.572 2.562 0.06 0.00 N ATOM 821 CA LYS A 54 1.803 -7.599 2.886 0.11 0.00 C ATOM 822 C LYS A 54 1.389 -6.314 3.595 1.00 0.00 C ATOM 823 O LYS A 54 2.114 -5.804 4.451 1.00 0.00 O ATOM 824 CB LYS A 54 1.479 -8.810 3.763 0.24 0.00 C ATOM 825 CG LYS A 54 1.697 -10.143 3.064 0.53 0.00 C ATOM 826 CD LYS A 54 1.317 -11.316 3.954 1.00 0.00 C ATOM 827 CE LYS A 54 2.249 -11.438 5.149 0.23 0.00 C ATOM 828 NZ LYS A 54 1.902 -12.606 6.009 0.73 0.00 N ATOM 0 H LYS A 54 3.834 -7.371 3.356 0.06 0.00 H new ATOM 0 HA LYS A 54 1.242 -7.678 1.955 0.11 0.00 H new ATOM 0 HB2 LYS A 54 2.097 -8.774 4.660 0.24 0.00 H new ATOM 0 HB3 LYS A 54 0.441 -8.745 4.088 0.24 0.00 H new ATOM 0 HG2 LYS A 54 1.106 -10.175 2.149 0.53 0.00 H new ATOM 0 HG3 LYS A 54 2.743 -10.233 2.771 0.53 0.00 H new ATOM 0 HD2 LYS A 54 0.292 -11.191 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.346 -12.238 3.374 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.277 -11.538 4.799 0.23 0.00 H new ATOM 0 HE3 LYS A 54 2.201 -10.524 5.741 0.23 0.00 H new ATOM 0 HZ1 LYS A 54 2.561 -12.654 6.812 0.73 0.00 H new ATOM 0 HZ2 LYS A 54 0.930 -12.499 6.364 0.73 0.00 H new ATOM 0 HZ3 LYS A 54 1.972 -13.481 5.451 0.73 0.00 H new ATOM 842 N LEU A 55 0.220 -5.793 3.233 0.58 0.00 N ATOM 843 CA LEU A 55 -0.284 -4.561 3.827 1.00 0.00 C ATOM 844 C LEU A 55 -1.782 -4.652 4.109 0.90 0.00 C ATOM 845 O LEU A 55 -2.469 -5.536 3.599 0.10 0.00 O ATOM 846 CB LEU A 55 0.014 -3.354 2.922 0.16 0.00 C ATOM 847 CG LEU A 55 -0.161 -3.562 1.405 0.34 0.00 C ATOM 848 CD1 LEU A 55 0.947 -4.438 0.841 0.26 0.00 C ATOM 849 CD2 LEU A 55 -1.525 -4.157 1.083 0.08 0.00 C ATOM 0 H LEU A 55 -0.395 -6.205 2.531 0.58 0.00 H new ATOM 0 HA LEU A 55 0.233 -4.421 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.632 -2.532 3.229 0.16 0.00 H new ATOM 0 HB3 LEU A 55 1.041 -3.038 3.105 0.16 0.00 H new ATOM 0 HG LEU A 55 -0.098 -2.582 0.931 0.34 0.00 H new ATOM 0 HD11 LEU A 55 0.798 -4.568 -0.231 0.26 0.00 H new ATOM 0 HD12 LEU A 55 1.912 -3.963 1.018 0.26 0.00 H new ATOM 0 HD13 LEU A 55 0.926 -5.412 1.331 0.26 0.00 H new ATOM 0 HD21 LEU A 55 -1.618 -4.292 0.005 0.08 0.00 H new ATOM 0 HD22 LEU A 55 -1.627 -5.122 1.580 0.08 0.00 H new ATOM 0 HD23 LEU A 55 -2.307 -3.484 1.433 0.08 0.00 H new ATOM 861 N VAL A 56 -2.278 -3.732 4.932 0.45 0.00 N ATOM 862 CA VAL A 56 -3.693 -3.697 5.284 0.64 0.00 C ATOM 863 C VAL A 56 -4.301 -2.337 4.957 1.00 0.00 C ATOM 864 O VAL A 56 -3.693 -1.298 5.208 1.00 0.00 O ATOM 865 CB VAL A 56 -3.907 -4.005 6.779 1.00 0.00 C ATOM 866 CG1 VAL A 56 -3.135 -3.021 7.647 0.34 0.00 C ATOM 867 CG2 VAL A 56 -5.390 -3.986 7.129 1.00 0.00 C ATOM 0 H VAL A 56 -1.718 -2.999 5.368 0.45 0.00 H new ATOM 0 HA VAL A 56 -4.191 -4.465 4.692 0.64 0.00 H new ATOM 0 HB VAL A 56 -3.525 -5.007 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.300 -3.256 8.698 0.34 0.00 H new ATOM 0 HG12 VAL A 56 -2.071 -3.094 7.421 0.34 0.00 H new ATOM 0 HG13 VAL A 56 -3.481 -2.007 7.443 0.34 0.00 H new ATOM 0 HG21 VAL A 56 -5.517 -4.206 8.189 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.803 -3.001 6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.913 -4.737 6.538 1.00 0.00 H new ATOM 877 N ILE A 57 -5.505 -2.353 4.392 0.13 0.00 N ATOM 878 CA ILE A 57 -6.192 -1.119 4.032 1.00 0.00 C ATOM 879 C ILE A 57 -7.378 -0.871 4.957 0.47 0.00 C ATOM 880 O ILE A 57 -8.368 -1.604 4.924 0.44 0.00 O ATOM 881 CB ILE A 57 -6.690 -1.144 2.570 0.06 0.00 C ATOM 882 CG1 ILE A 57 -5.549 -1.508 1.615 1.00 0.00 C ATOM 883 CG2 ILE A 57 -7.286 0.202 2.191 1.00 0.00 C ATOM 884 CD1 ILE A 57 -5.279 -2.994 1.522 0.12 0.00 C ATOM 0 H ILE A 57 -6.023 -3.205 4.175 0.13 0.00 H new ATOM 0 HA ILE A 57 -5.467 -0.312 4.139 1.00 0.00 H new ATOM 0 HB ILE A 57 -7.465 -1.906 2.485 0.06 0.00 H new ATOM 0 HG12 ILE A 57 -5.785 -1.128 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.640 -1.003 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.632 0.169 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.126 0.426 2.848 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.527 0.978 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.458 -3.172 0.827 0.12 0.00 H new ATOM 0 HD12 ILE A 57 -5.011 -3.377 2.506 0.12 0.00 H new ATOM 0 HD13 ILE A 57 -6.173 -3.505 1.165 0.12 0.00 H new ATOM 896 N GLU A 58 -7.271 0.164 5.783 0.17 0.00 N ATOM 897 CA GLU A 58 -8.332 0.507 6.722 1.00 0.00 C ATOM 898 C GLU A 58 -9.304 1.511 6.108 0.07 0.00 C ATOM 899 O GLU A 58 -8.901 2.579 5.644 0.23 0.00 O ATOM 900 CB GLU A 58 -7.731 1.078 8.008 0.91 0.00 C ATOM 901 CG GLU A 58 -8.750 1.288 9.116 0.31 0.00 C ATOM 902 CD GLU A 58 -8.124 1.829 10.387 0.77 0.00 C ATOM 903 OE1 GLU A 58 -7.581 1.023 11.172 1.00 0.00 O ATOM 904 OE2 GLU A 58 -8.177 3.060 10.597 1.00 0.00 O ATOM 0 H GLU A 58 -6.459 0.780 5.821 0.17 0.00 H new ATOM 0 HA GLU A 58 -8.885 -0.402 6.957 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.952 0.404 8.365 0.91 0.00 H new ATOM 0 HB3 GLU A 58 -7.250 2.030 7.783 0.91 0.00 H new ATOM 0 HG2 GLU A 58 -9.519 1.979 8.771 0.31 0.00 H new ATOM 0 HG3 GLU A 58 -9.246 0.342 9.333 0.31 0.00 H new ATOM 911 N PHE A 59 -10.586 1.158 6.108 0.29 0.00 N ATOM 912 CA PHE A 59 -11.623 2.022 5.556 0.07 0.00 C ATOM 913 C PHE A 59 -12.458 2.645 6.670 0.14 0.00 C ATOM 914 O PHE A 59 -12.679 2.025 7.710 0.10 0.00 O ATOM 915 CB PHE A 59 -12.525 1.228 4.609 1.00 0.00 C ATOM 916 CG PHE A 59 -11.816 0.721 3.385 0.33 0.00 C ATOM 917 CD1 PHE A 59 -11.669 1.531 2.270 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.297 -0.563 3.349 0.27 0.00 C ATOM 919 CE1 PHE A 59 -11.018 1.069 1.142 0.26 0.00 C ATOM 920 CE2 PHE A 59 -10.645 -1.030 2.224 1.00 0.00 C ATOM 921 CZ PHE A 59 -10.506 -0.213 1.119 0.85 0.00 C ATOM 0 H PHE A 59 -10.932 0.276 6.486 0.29 0.00 H new ATOM 0 HA PHE A 59 -11.138 2.823 4.998 0.07 0.00 H new ATOM 0 HB2 PHE A 59 -12.949 0.382 5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.358 1.859 4.300 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.068 2.535 2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -11.403 -1.206 4.210 0.27 0.00 H new ATOM 0 HE1 PHE A 59 -10.910 1.710 0.280 0.26 0.00 H new ATOM 0 HE2 PHE A 59 -10.244 -2.033 2.209 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.998 -0.577 0.238 0.85 0.00 H new ATOM 931 N SER A 60 -12.920 3.875 6.449 0.16 0.00 N ATOM 932 CA SER A 60 -13.728 4.573 7.439 0.05 0.00 C ATOM 933 C SER A 60 -15.154 4.770 6.940 0.33 0.00 C ATOM 934 O SER A 60 -15.373 5.175 5.798 0.28 0.00 O ATOM 935 CB SER A 60 -13.101 5.927 7.775 1.00 0.00 C ATOM 936 OG SER A 60 -11.805 5.767 8.323 0.39 0.00 O ATOM 0 H SER A 60 -12.747 4.405 5.595 0.16 0.00 H new ATOM 0 HA SER A 60 -13.761 3.961 8.340 0.05 0.00 H new ATOM 0 HB2 SER A 60 -13.045 6.539 6.875 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.736 6.459 8.484 1.00 0.00 H new ATOM 0 HG SER A 60 -11.425 6.647 8.528 0.39 0.00 H new ATOM 942 N GLU A 61 -16.120 4.480 7.805 0.15 0.00 N ATOM 943 CA GLU A 61 -17.531 4.628 7.460 1.00 0.00 C ATOM 944 C GLU A 61 -17.947 6.095 7.516 0.69 0.00 C ATOM 945 O GLU A 61 -19.135 6.416 7.470 0.07 0.00 O ATOM 946 CB GLU A 61 -18.397 3.801 8.413 0.11 0.00 C ATOM 947 CG GLU A 61 -17.993 2.338 8.490 0.15 0.00 C ATOM 948 CD GLU A 61 -18.256 1.592 7.197 0.55 0.00 C ATOM 949 OE1 GLU A 61 -17.432 1.708 6.266 1.00 0.00 O ATOM 950 OE2 GLU A 61 -19.285 0.890 7.117 0.08 0.00 O ATOM 0 H GLU A 61 -15.952 4.140 8.752 0.15 0.00 H new ATOM 0 HA GLU A 61 -17.676 4.265 6.443 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.342 4.237 9.411 0.11 0.00 H new ATOM 0 HB3 GLU A 61 -19.437 3.865 8.093 0.11 0.00 H new ATOM 0 HG2 GLU A 61 -16.933 2.270 8.735 0.15 0.00 H new ATOM 0 HG3 GLU A 61 -18.539 1.856 9.301 0.15 0.00 H new ATOM 957 N GLU A 62 -16.959 6.977 7.619 0.52 0.00 N ATOM 958 CA GLU A 62 -17.207 8.413 7.682 0.17 0.00 C ATOM 959 C GLU A 62 -17.992 8.893 6.464 0.86 0.00 C ATOM 960 O GLU A 62 -19.207 9.077 6.531 0.17 0.00 O ATOM 961 CB GLU A 62 -15.880 9.168 7.785 0.33 0.00 C ATOM 962 CG GLU A 62 -15.216 9.046 9.145 1.00 0.00 C ATOM 963 CD GLU A 62 -16.048 9.654 10.257 0.12 0.00 C ATOM 964 OE1 GLU A 62 -16.884 8.930 10.838 0.08 0.00 O ATOM 965 OE2 GLU A 62 -15.863 10.855 10.549 0.18 0.00 O ATOM 0 H GLU A 62 -15.973 6.721 7.661 0.52 0.00 H new ATOM 0 HA GLU A 62 -17.807 8.616 8.569 0.17 0.00 H new ATOM 0 HB2 GLU A 62 -15.198 8.793 7.022 0.33 0.00 H new ATOM 0 HB3 GLU A 62 -16.053 10.222 7.568 0.33 0.00 H new ATOM 0 HG2 GLU A 62 -15.037 7.993 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.243 9.536 9.115 1.00 0.00 H new ATOM 972 N TYR A 63 -17.290 9.095 5.352 0.46 0.00 N ATOM 973 CA TYR A 63 -17.922 9.556 4.120 1.00 0.00 C ATOM 974 C TYR A 63 -17.309 8.866 2.901 1.00 0.00 C ATOM 975 O TYR A 63 -16.165 8.412 2.949 0.07 0.00 O ATOM 976 CB TYR A 63 -17.776 11.073 3.986 0.06 0.00 C ATOM 977 CG TYR A 63 -18.443 11.853 5.097 1.00 0.00 C ATOM 978 CD1 TYR A 63 -19.792 12.182 5.030 0.63 0.00 C ATOM 979 CD2 TYR A 63 -17.724 12.261 6.213 0.07 0.00 C ATOM 980 CE1 TYR A 63 -20.405 12.895 6.044 0.78 0.00 C ATOM 981 CE2 TYR A 63 -18.330 12.975 7.232 0.13 0.00 C ATOM 982 CZ TYR A 63 -19.669 13.289 7.141 0.88 0.00 C ATOM 983 OH TYR A 63 -20.275 14.000 8.151 0.11 0.00 O ATOM 0 H TYR A 63 -16.283 8.947 5.279 0.46 0.00 H new ATOM 0 HA TYR A 63 -18.981 9.300 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -16.716 11.326 3.964 0.06 0.00 H new ATOM 0 HB3 TYR A 63 -18.198 11.386 3.031 0.06 0.00 H new ATOM 0 HD1 TYR A 63 -20.371 11.876 4.171 0.63 0.00 H new ATOM 0 HD2 TYR A 63 -16.675 12.017 6.287 0.07 0.00 H new ATOM 0 HE1 TYR A 63 -21.454 13.142 5.977 0.78 0.00 H new ATOM 0 HE2 TYR A 63 -17.757 13.284 8.094 0.13 0.00 H new ATOM 0 HH TYR A 63 -19.618 14.199 8.851 0.11 0.00 H new ATOM 993 N PRO A 64 -18.064 8.778 1.788 1.00 0.00 N ATOM 994 CA PRO A 64 -17.582 8.142 0.556 0.08 0.00 C ATOM 995 C PRO A 64 -16.465 8.939 -0.108 1.00 0.00 C ATOM 996 O PRO A 64 -15.829 8.467 -1.051 1.00 0.00 O ATOM 997 CB PRO A 64 -18.824 8.105 -0.339 0.68 0.00 C ATOM 998 CG PRO A 64 -19.691 9.206 0.164 0.64 0.00 C ATOM 999 CD PRO A 64 -19.441 9.288 1.644 0.07 0.00 C ATOM 0 HA PRO A 64 -17.153 7.158 0.747 0.08 0.00 H new ATOM 0 HB2 PRO A 64 -18.561 8.256 -1.386 0.68 0.00 H new ATOM 0 HB3 PRO A 64 -19.330 7.142 -0.273 0.68 0.00 H new ATOM 0 HG2 PRO A 64 -19.447 10.149 -0.326 0.64 0.00 H new ATOM 0 HG3 PRO A 64 -20.741 9.001 -0.043 0.64 0.00 H new ATOM 0 HD2 PRO A 64 -19.531 10.311 2.010 0.07 0.00 H new ATOM 0 HD3 PRO A 64 -20.154 8.684 2.206 0.07 0.00 H new ATOM 1007 N ASN A 65 -16.236 10.152 0.387 0.09 0.00 N ATOM 1008 CA ASN A 65 -15.195 11.018 -0.154 0.18 0.00 C ATOM 1009 C ASN A 65 -14.046 11.164 0.837 0.10 0.00 C ATOM 1010 O ASN A 65 -12.962 11.630 0.483 0.23 0.00 O ATOM 1011 CB ASN A 65 -15.773 12.393 -0.491 1.00 0.00 C ATOM 1012 CG ASN A 65 -16.885 12.320 -1.519 0.08 0.00 C ATOM 1013 OD1 ASN A 65 -16.887 11.445 -2.385 0.10 0.00 O ATOM 1014 ND2 ASN A 65 -17.838 13.240 -1.428 0.06 0.00 N ATOM 0 H ASN A 65 -16.759 10.557 1.163 0.09 0.00 H new ATOM 0 HA ASN A 65 -14.810 10.561 -1.066 0.18 0.00 H new ATOM 0 HB2 ASN A 65 -16.154 12.856 0.419 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.977 13.036 -0.867 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.612 13.240 -2.092 0.06 0.00 H new ATOM 0 HD22 ASN A 65 -17.796 13.947 -0.694 0.06 0.00 H new ATOM 1021 N LYS A 66 -14.292 10.762 2.080 1.00 0.00 N ATOM 1022 CA LYS A 66 -13.284 10.845 3.127 0.12 0.00 C ATOM 1023 C LYS A 66 -12.041 10.041 2.740 1.00 0.00 C ATOM 1024 O LYS A 66 -12.151 8.886 2.331 0.12 0.00 O ATOM 1025 CB LYS A 66 -13.855 10.319 4.448 0.06 0.00 C ATOM 1026 CG LYS A 66 -13.000 10.646 5.663 0.20 0.00 C ATOM 1027 CD LYS A 66 -13.013 12.136 5.971 1.00 0.00 C ATOM 1028 CE LYS A 66 -12.234 12.452 7.237 0.10 0.00 C ATOM 1029 NZ LYS A 66 -12.839 11.810 8.436 0.17 0.00 N ATOM 0 H LYS A 66 -15.185 10.374 2.386 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.999 11.890 3.251 0.12 0.00 H new ATOM 0 HB2 LYS A 66 -14.851 10.737 4.594 0.06 0.00 H new ATOM 0 HB3 LYS A 66 -13.970 9.237 4.378 0.06 0.00 H new ATOM 0 HG2 LYS A 66 -13.367 10.092 6.527 0.20 0.00 H new ATOM 0 HG3 LYS A 66 -11.975 10.319 5.486 0.20 0.00 H new ATOM 0 HD2 LYS A 66 -12.584 12.685 5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.043 12.476 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.204 12.112 7.124 0.10 0.00 H new ATOM 0 HE3 LYS A 66 -12.199 13.532 7.382 0.10 0.00 H new ATOM 0 HZ1 LYS A 66 -12.446 12.242 9.297 0.17 0.00 H new ATOM 0 HZ2 LYS A 66 -13.870 11.946 8.420 0.17 0.00 H new ATOM 0 HZ3 LYS A 66 -12.624 10.792 8.431 0.17 0.00 H new ATOM 1043 N PRO A 67 -10.839 10.641 2.857 0.13 0.00 N ATOM 1044 CA PRO A 67 -9.584 9.963 2.508 0.23 0.00 C ATOM 1045 C PRO A 67 -9.417 8.630 3.238 0.06 0.00 C ATOM 1046 O PRO A 67 -9.664 8.544 4.441 0.35 0.00 O ATOM 1047 CB PRO A 67 -8.505 10.952 2.954 0.06 0.00 C ATOM 1048 CG PRO A 67 -9.179 12.280 2.939 0.13 0.00 C ATOM 1049 CD PRO A 67 -10.605 12.019 3.331 1.00 0.00 C ATOM 0 HA PRO A 67 -9.542 9.714 1.448 0.23 0.00 H new ATOM 0 HB2 PRO A 67 -8.132 10.709 3.949 0.06 0.00 H new ATOM 0 HB3 PRO A 67 -7.649 10.935 2.279 0.06 0.00 H new ATOM 0 HG2 PRO A 67 -8.702 12.969 3.636 0.13 0.00 H new ATOM 0 HG3 PRO A 67 -9.122 12.736 1.951 0.13 0.00 H new ATOM 0 HD2 PRO A 67 -10.748 12.104 4.408 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.288 12.727 2.862 1.00 0.00 H new ATOM 1057 N PRO A 68 -8.994 7.569 2.522 0.06 0.00 N ATOM 1058 CA PRO A 68 -8.795 6.247 3.118 1.00 0.00 C ATOM 1059 C PRO A 68 -7.473 6.144 3.871 0.06 0.00 C ATOM 1060 O PRO A 68 -6.659 7.069 3.843 0.20 0.00 O ATOM 1061 CB PRO A 68 -8.792 5.320 1.905 0.35 0.00 C ATOM 1062 CG PRO A 68 -8.241 6.154 0.800 0.19 0.00 C ATOM 1063 CD PRO A 68 -8.680 7.570 1.078 0.31 0.00 C ATOM 0 HA PRO A 68 -9.560 6.009 3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.177 4.438 2.081 0.35 0.00 H new ATOM 0 HB3 PRO A 68 -9.797 4.967 1.673 0.35 0.00 H new ATOM 0 HG2 PRO A 68 -7.154 6.084 0.765 0.19 0.00 H new ATOM 0 HG3 PRO A 68 -8.614 5.814 -0.166 0.19 0.00 H new ATOM 0 HD2 PRO A 68 -7.893 8.286 0.841 0.31 0.00 H new ATOM 0 HD3 PRO A 68 -9.550 7.843 0.480 0.31 0.00 H new ATOM 1071 N THR A 69 -7.267 5.016 4.541 0.26 0.00 N ATOM 1072 CA THR A 69 -6.046 4.788 5.300 0.08 0.00 C ATOM 1073 C THR A 69 -5.448 3.427 4.965 0.06 0.00 C ATOM 1074 O THR A 69 -6.170 2.447 4.789 1.00 0.00 O ATOM 1075 CB THR A 69 -6.302 4.867 6.817 1.00 0.00 C ATOM 1076 OG1 THR A 69 -6.912 6.121 7.147 0.06 0.00 O ATOM 1077 CG2 THR A 69 -5.004 4.710 7.595 0.52 0.00 C ATOM 0 H THR A 69 -7.933 4.244 4.573 0.26 0.00 H new ATOM 0 HA THR A 69 -5.344 5.574 5.021 0.08 0.00 H new ATOM 0 HB THR A 69 -6.973 4.053 7.092 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.073 6.162 8.113 0.06 0.00 H new ATOM 0 HG21 THR A 69 -5.211 4.769 8.664 0.52 0.00 H new ATOM 0 HG22 THR A 69 -4.557 3.743 7.365 0.52 0.00 H new ATOM 0 HG23 THR A 69 -4.313 5.505 7.314 0.52 0.00 H new ATOM 1085 N VAL A 70 -4.125 3.378 4.872 1.00 0.00 N ATOM 1086 CA VAL A 70 -3.427 2.137 4.560 0.20 0.00 C ATOM 1087 C VAL A 70 -2.039 2.113 5.197 0.52 0.00 C ATOM 1088 O VAL A 70 -1.368 3.142 5.280 1.00 0.00 O ATOM 1089 CB VAL A 70 -3.298 1.936 3.036 1.00 0.00 C ATOM 1090 CG1 VAL A 70 -2.503 3.071 2.408 0.13 0.00 C ATOM 1091 CG2 VAL A 70 -2.660 0.591 2.726 0.13 0.00 C ATOM 0 H VAL A 70 -3.514 4.183 5.008 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.021 1.321 4.973 0.20 0.00 H new ATOM 0 HB VAL A 70 -4.298 1.946 2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.424 2.909 1.333 0.13 0.00 H new ATOM 0 HG12 VAL A 70 -3.010 4.018 2.596 0.13 0.00 H new ATOM 0 HG13 VAL A 70 -1.505 3.101 2.844 0.13 0.00 H new ATOM 0 HG21 VAL A 70 -2.578 0.468 1.646 0.13 0.00 H new ATOM 0 HG22 VAL A 70 -1.667 0.548 3.173 0.13 0.00 H new ATOM 0 HG23 VAL A 70 -3.278 -0.208 3.136 0.13 0.00 H new ATOM 1101 N ARG A 71 -1.617 0.934 5.646 0.13 0.00 N ATOM 1102 CA ARG A 71 -0.309 0.781 6.278 0.06 0.00 C ATOM 1103 C ARG A 71 0.159 -0.672 6.225 0.62 0.00 C ATOM 1104 O ARG A 71 -0.644 -1.598 6.336 0.34 0.00 O ATOM 1105 CB ARG A 71 -0.365 1.259 7.730 0.24 0.00 C ATOM 1106 CG ARG A 71 -1.357 0.488 8.588 0.24 0.00 C ATOM 1107 CD ARG A 71 -1.467 1.081 9.984 0.72 0.00 C ATOM 1108 NE ARG A 71 -2.353 0.301 10.842 0.33 0.00 N ATOM 1109 CZ ARG A 71 -2.529 0.546 12.139 0.17 0.00 C ATOM 1110 NH1 ARG A 71 -1.893 1.555 12.718 0.07 0.00 N ATOM 1111 NH2 ARG A 71 -3.343 -0.215 12.855 0.90 0.00 N ATOM 0 H ARG A 71 -2.160 0.073 5.584 0.13 0.00 H new ATOM 0 HA ARG A 71 0.406 1.392 5.727 0.06 0.00 H new ATOM 0 HB2 ARG A 71 0.628 1.172 8.171 0.24 0.00 H new ATOM 0 HB3 ARG A 71 -0.629 2.316 7.746 0.24 0.00 H new ATOM 0 HG2 ARG A 71 -2.337 0.497 8.110 0.24 0.00 H new ATOM 0 HG3 ARG A 71 -1.046 -0.554 8.658 0.24 0.00 H new ATOM 0 HD2 ARG A 71 -0.476 1.130 10.436 0.72 0.00 H new ATOM 0 HD3 ARG A 71 -1.837 2.104 9.915 0.72 0.00 H new ATOM 0 HE ARG A 71 -2.866 -0.475 10.425 0.33 0.00 H new ATOM 0 HH11 ARG A 71 -1.267 2.145 12.170 0.07 0.00 H new ATOM 0 HH12 ARG A 71 -2.029 1.741 13.712 0.07 0.00 H new ATOM 0 HH21 ARG A 71 -3.837 -0.991 12.413 0.90 0.00 H new ATOM 0 HH22 ARG A 71 -3.476 -0.025 13.848 0.90 0.00 H new ATOM 1125 N PHE A 72 1.466 -0.862 6.053 0.21 0.00 N ATOM 1126 CA PHE A 72 2.045 -2.200 5.988 0.37 0.00 C ATOM 1127 C PHE A 72 2.031 -2.869 7.358 0.66 0.00 C ATOM 1128 O PHE A 72 2.253 -2.218 8.379 0.16 0.00 O ATOM 1129 CB PHE A 72 3.481 -2.136 5.463 0.05 0.00 C ATOM 1130 CG PHE A 72 3.579 -1.908 3.983 0.06 0.00 C ATOM 1131 CD1 PHE A 72 3.324 -0.659 3.441 1.00 0.00 C ATOM 1132 CD2 PHE A 72 3.932 -2.943 3.132 0.37 0.00 C ATOM 1133 CE1 PHE A 72 3.420 -0.447 2.079 0.58 0.00 C ATOM 1134 CE2 PHE A 72 4.028 -2.738 1.769 1.00 0.00 C ATOM 1135 CZ PHE A 72 3.770 -1.489 1.243 0.07 0.00 C ATOM 0 H PHE A 72 2.143 -0.105 5.956 0.21 0.00 H new ATOM 0 HA PHE A 72 1.438 -2.793 5.304 0.37 0.00 H new ATOM 0 HB2 PHE A 72 4.011 -1.336 5.980 0.05 0.00 H new ATOM 0 HB3 PHE A 72 3.990 -3.067 5.711 0.05 0.00 H new ATOM 0 HD1 PHE A 72 3.047 0.158 4.090 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.135 -3.922 3.539 0.37 0.00 H new ATOM 0 HE1 PHE A 72 3.222 0.532 1.669 0.58 0.00 H new ATOM 0 HE2 PHE A 72 4.304 -3.553 1.117 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.842 -1.326 0.178 0.07 0.00 H new ATOM 1145 N LEU A 73 1.771 -4.172 7.371 0.79 0.00 N ATOM 1146 CA LEU A 73 1.736 -4.933 8.614 1.00 0.00 C ATOM 1147 C LEU A 73 3.149 -5.278 9.071 0.30 0.00 C ATOM 1148 O LEU A 73 3.424 -5.356 10.269 0.06 0.00 O ATOM 1149 CB LEU A 73 0.921 -6.215 8.432 1.00 0.00 C ATOM 1150 CG LEU A 73 -0.572 -6.006 8.166 1.00 0.00 C ATOM 1151 CD1 LEU A 73 -1.243 -7.326 7.823 0.73 0.00 C ATOM 1152 CD2 LEU A 73 -1.242 -5.367 9.374 0.65 0.00 C ATOM 0 H LEU A 73 1.581 -4.723 6.534 0.79 0.00 H new ATOM 0 HA LEU A 73 1.261 -4.317 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.345 -6.782 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.032 -6.827 9.327 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.679 -5.334 7.314 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.304 -7.157 7.637 0.73 0.00 H new ATOM 0 HD12 LEU A 73 -0.781 -7.748 6.931 0.73 0.00 H new ATOM 0 HD13 LEU A 73 -1.126 -8.020 8.655 0.73 0.00 H new ATOM 0 HD21 LEU A 73 -2.303 -5.225 9.169 0.65 0.00 H new ATOM 0 HD22 LEU A 73 -1.124 -6.016 10.241 0.65 0.00 H new ATOM 0 HD23 LEU A 73 -0.780 -4.401 9.578 0.65 0.00 H new ATOM 1164 N SER A 74 4.040 -5.485 8.106 1.00 0.00 N ATOM 1165 CA SER A 74 5.428 -5.824 8.404 1.00 0.00 C ATOM 1166 C SER A 74 6.317 -4.584 8.357 0.60 0.00 C ATOM 1167 O SER A 74 5.999 -3.606 7.681 0.27 0.00 O ATOM 1168 CB SER A 74 5.940 -6.869 7.412 0.92 0.00 C ATOM 1169 OG SER A 74 5.152 -8.045 7.456 0.12 0.00 O ATOM 0 H SER A 74 3.826 -5.424 7.111 1.00 0.00 H new ATOM 0 HA SER A 74 5.467 -6.236 9.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.925 -6.455 6.404 0.92 0.00 H new ATOM 0 HB3 SER A 74 6.977 -7.114 7.641 0.92 0.00 H new ATOM 0 HG SER A 74 5.500 -8.696 6.811 0.12 0.00 H new ATOM 1175 N LYS A 75 7.432 -4.636 9.079 0.11 0.00 N ATOM 1176 CA LYS A 75 8.374 -3.522 9.122 0.48 0.00 C ATOM 1177 C LYS A 75 9.117 -3.386 7.797 0.18 0.00 C ATOM 1178 O LYS A 75 9.867 -4.278 7.401 0.88 0.00 O ATOM 1179 CB LYS A 75 9.371 -3.720 10.263 0.06 0.00 C ATOM 1180 CG LYS A 75 10.096 -2.445 10.650 0.52 0.00 C ATOM 1181 CD LYS A 75 9.122 -1.373 11.115 0.23 0.00 C ATOM 1182 CE LYS A 75 9.733 0.008 11.007 1.00 0.00 C ATOM 1183 NZ LYS A 75 9.954 0.412 9.590 0.12 0.00 N ATOM 0 H LYS A 75 7.706 -5.440 9.644 0.11 0.00 H new ATOM 0 HA LYS A 75 7.810 -2.605 9.295 0.48 0.00 H new ATOM 0 HB2 LYS A 75 8.844 -4.110 11.134 0.06 0.00 H new ATOM 0 HB3 LYS A 75 10.103 -4.473 9.971 0.06 0.00 H new ATOM 0 HG2 LYS A 75 10.812 -2.658 11.444 0.52 0.00 H new ATOM 0 HG3 LYS A 75 10.666 -2.076 9.798 0.52 0.00 H new ATOM 0 HD2 LYS A 75 8.213 -1.419 10.515 0.23 0.00 H new ATOM 0 HD3 LYS A 75 8.832 -1.565 12.148 0.23 0.00 H new ATOM 0 HE2 LYS A 75 9.079 0.732 11.493 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.683 0.027 11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.994 1.449 9.527 0.12 0.00 H new ATOM 0 HZ2 LYS A 75 10.851 0.010 9.250 0.12 0.00 H new ATOM 0 HZ3 LYS A 75 9.172 0.059 9.002 0.12 0.00 H new ATOM 1197 N MET A 76 8.902 -2.265 7.114 0.24 0.00 N ATOM 1198 CA MET A 76 9.548 -2.011 5.831 0.11 0.00 C ATOM 1199 C MET A 76 10.323 -0.696 5.859 1.00 0.00 C ATOM 1200 O MET A 76 9.897 0.273 6.488 0.67 0.00 O ATOM 1201 CB MET A 76 8.504 -1.981 4.713 0.41 0.00 C ATOM 1202 CG MET A 76 9.097 -1.773 3.329 1.00 0.00 C ATOM 1203 SD MET A 76 7.852 -1.798 2.026 1.00 0.00 S ATOM 1204 CE MET A 76 6.908 -0.330 2.433 1.00 0.00 C ATOM 0 H MET A 76 8.284 -1.517 7.429 0.24 0.00 H new ATOM 0 HA MET A 76 10.254 -2.819 5.640 0.11 0.00 H new ATOM 0 HB2 MET A 76 7.947 -2.918 4.723 0.41 0.00 H new ATOM 0 HB3 MET A 76 7.790 -1.183 4.916 0.41 0.00 H new ATOM 0 HG2 MET A 76 9.624 -0.819 3.304 1.00 0.00 H new ATOM 0 HG3 MET A 76 9.836 -2.550 3.134 1.00 0.00 H new ATOM 0 HE1 MET A 76 6.305 -0.036 1.574 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.255 -0.540 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 76 7.589 0.480 2.693 1.00 0.00 H new ATOM 1214 N PHE A 77 11.465 -0.672 5.177 0.24 0.00 N ATOM 1215 CA PHE A 77 12.300 0.523 5.123 0.64 0.00 C ATOM 1216 C PHE A 77 12.146 1.236 3.783 0.05 0.00 C ATOM 1217 O PHE A 77 12.587 0.735 2.747 0.06 0.00 O ATOM 1218 CB PHE A 77 13.768 0.154 5.352 1.00 0.00 C ATOM 1219 CG PHE A 77 14.679 1.343 5.449 1.00 0.00 C ATOM 1220 CD1 PHE A 77 14.652 2.163 6.567 0.15 0.00 C ATOM 1221 CD2 PHE A 77 15.560 1.643 4.423 0.14 0.00 C ATOM 1222 CE1 PHE A 77 15.489 3.257 6.659 0.07 0.00 C ATOM 1223 CE2 PHE A 77 16.399 2.738 4.510 0.13 0.00 C ATOM 1224 CZ PHE A 77 16.363 3.546 5.631 0.18 0.00 C ATOM 0 H PHE A 77 11.833 -1.467 4.654 0.24 0.00 H new ATOM 0 HA PHE A 77 11.974 1.200 5.913 0.64 0.00 H new ATOM 0 HB2 PHE A 77 13.848 -0.430 6.269 1.00 0.00 H new ATOM 0 HB3 PHE A 77 14.105 -0.485 4.536 1.00 0.00 H new ATOM 0 HD1 PHE A 77 13.969 1.943 7.374 0.15 0.00 H new ATOM 0 HD2 PHE A 77 15.592 1.014 3.545 0.14 0.00 H new ATOM 0 HE1 PHE A 77 15.460 3.887 7.536 0.07 0.00 H new ATOM 0 HE2 PHE A 77 17.082 2.962 3.704 0.13 0.00 H new ATOM 0 HZ PHE A 77 17.018 4.402 5.702 0.18 0.00 H new ATOM 1234 N HIS A 78 11.520 2.409 3.812 0.38 0.00 N ATOM 1235 CA HIS A 78 11.307 3.196 2.602 0.39 0.00 C ATOM 1236 C HIS A 78 11.751 4.645 2.819 0.14 0.00 C ATOM 1237 O HIS A 78 11.498 5.217 3.881 0.18 0.00 O ATOM 1238 CB HIS A 78 9.830 3.151 2.198 0.11 0.00 C ATOM 1239 CG HIS A 78 9.569 3.631 0.803 0.28 0.00 C ATOM 1240 ND1 HIS A 78 9.646 2.826 -0.311 0.26 0.00 N ATOM 1241 CD2 HIS A 78 9.226 4.864 0.351 0.19 0.00 C ATOM 1242 CE1 HIS A 78 9.354 3.578 -1.382 0.13 0.00 C ATOM 1243 NE2 HIS A 78 9.092 4.823 -1.033 0.17 0.00 N ATOM 0 H HIS A 78 11.151 2.836 4.662 0.38 0.00 H new ATOM 0 HA HIS A 78 11.907 2.767 1.799 0.39 0.00 H new ATOM 0 HB2 HIS A 78 9.468 2.127 2.294 0.11 0.00 H new ATOM 0 HB3 HIS A 78 9.254 3.759 2.895 0.11 0.00 H new ATOM 0 HD2 HIS A 78 9.080 5.738 0.968 0.19 0.00 H new ATOM 0 HE1 HIS A 78 9.336 3.212 -2.398 0.13 0.00 H new ATOM 0 HE2 HIS A 78 8.843 5.596 -1.650 0.17 0.00 H new ATOM 1251 N PRO A 79 12.421 5.259 1.820 0.96 0.00 N ATOM 1252 CA PRO A 79 12.899 6.643 1.913 0.09 0.00 C ATOM 1253 C PRO A 79 11.841 7.602 2.451 0.20 0.00 C ATOM 1254 O PRO A 79 12.170 8.606 3.084 1.00 0.00 O ATOM 1255 CB PRO A 79 13.265 7.008 0.464 1.00 0.00 C ATOM 1256 CG PRO A 79 12.801 5.862 -0.378 0.06 0.00 C ATOM 1257 CD PRO A 79 12.771 4.665 0.524 1.00 0.00 C ATOM 0 HA PRO A 79 13.733 6.726 2.610 0.09 0.00 H new ATOM 0 HB2 PRO A 79 12.781 7.936 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 79 14.339 7.160 0.359 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.814 6.060 -0.795 0.06 0.00 H new ATOM 0 HG3 PRO A 79 13.475 5.699 -1.219 0.06 0.00 H new ATOM 0 HD2 PRO A 79 12.033 3.931 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.734 4.156 0.557 1.00 0.00 H new ATOM 1265 N ASN A 80 10.572 7.286 2.206 1.00 0.00 N ATOM 1266 CA ASN A 80 9.475 8.127 2.669 0.12 0.00 C ATOM 1267 C ASN A 80 8.406 7.290 3.365 0.17 0.00 C ATOM 1268 O ASN A 80 7.800 6.407 2.757 0.90 0.00 O ATOM 1269 CB ASN A 80 8.849 8.884 1.493 0.05 0.00 C ATOM 1270 CG ASN A 80 9.856 9.732 0.734 1.00 0.00 C ATOM 1271 OD1 ASN A 80 9.731 9.925 -0.474 1.00 0.00 O ATOM 1272 ND2 ASN A 80 10.856 10.247 1.441 1.00 0.00 N ATOM 0 H ASN A 80 10.280 6.456 1.691 1.00 0.00 H new ATOM 0 HA ASN A 80 9.880 8.844 3.383 0.12 0.00 H new ATOM 0 HB2 ASN A 80 8.394 8.169 0.808 0.05 0.00 H new ATOM 0 HB3 ASN A 80 8.048 9.524 1.864 0.05 0.00 H new ATOM 0 HD21 ASN A 80 11.558 10.828 0.983 1.00 0.00 H new ATOM 0 HD22 ASN A 80 10.922 10.061 2.442 1.00 0.00 H new ATOM 1279 N VAL A 81 8.178 7.575 4.644 0.37 0.00 N ATOM 1280 CA VAL A 81 7.177 6.855 5.423 0.66 0.00 C ATOM 1281 C VAL A 81 6.657 7.714 6.576 0.24 0.00 C ATOM 1282 O VAL A 81 7.333 8.639 7.025 0.10 0.00 O ATOM 1283 CB VAL A 81 7.740 5.531 5.980 0.23 0.00 C ATOM 1284 CG1 VAL A 81 8.732 5.794 7.103 0.36 0.00 C ATOM 1285 CG2 VAL A 81 6.613 4.626 6.455 0.87 0.00 C ATOM 0 H VAL A 81 8.674 8.300 5.163 0.37 0.00 H new ATOM 0 HA VAL A 81 6.352 6.626 4.749 0.66 0.00 H new ATOM 0 HB VAL A 81 8.270 5.022 5.175 0.23 0.00 H new ATOM 0 HG11 VAL A 81 9.115 4.846 7.480 0.36 0.00 H new ATOM 0 HG12 VAL A 81 9.559 6.395 6.725 0.36 0.00 H new ATOM 0 HG13 VAL A 81 8.234 6.330 7.911 0.36 0.00 H new ATOM 0 HG21 VAL A 81 7.031 3.698 6.844 0.87 0.00 H new ATOM 0 HG22 VAL A 81 6.050 5.128 7.242 0.87 0.00 H new ATOM 0 HG23 VAL A 81 5.949 4.403 5.620 0.87 0.00 H new ATOM 1295 N TYR A 82 5.455 7.398 7.053 1.00 0.00 N ATOM 1296 CA TYR A 82 4.850 8.140 8.154 0.10 0.00 C ATOM 1297 C TYR A 82 5.086 7.437 9.486 0.13 0.00 C ATOM 1298 O TYR A 82 5.586 6.311 9.526 0.14 0.00 O ATOM 1299 CB TYR A 82 3.348 8.310 7.920 1.00 0.00 C ATOM 1300 CG TYR A 82 3.010 9.186 6.735 0.20 0.00 C ATOM 1301 CD1 TYR A 82 3.139 10.566 6.811 0.57 0.00 C ATOM 1302 CD2 TYR A 82 2.564 8.631 5.543 0.40 0.00 C ATOM 1303 CE1 TYR A 82 2.830 11.371 5.730 0.12 0.00 C ATOM 1304 CE2 TYR A 82 2.252 9.430 4.458 0.14 0.00 C ATOM 1305 CZ TYR A 82 2.388 10.799 4.557 0.09 0.00 C ATOM 1306 OH TYR A 82 2.079 11.598 3.481 0.61 0.00 O ATOM 0 H TYR A 82 4.882 6.634 6.694 1.00 0.00 H new ATOM 0 HA TYR A 82 5.322 9.122 8.193 0.10 0.00 H new ATOM 0 HB2 TYR A 82 2.899 7.328 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 82 2.896 8.736 8.816 1.00 0.00 H new ATOM 0 HD1 TYR A 82 3.486 11.018 7.728 0.57 0.00 H new ATOM 0 HD2 TYR A 82 2.459 7.559 5.462 0.40 0.00 H new ATOM 0 HE1 TYR A 82 2.935 12.443 5.805 0.12 0.00 H new ATOM 0 HE2 TYR A 82 1.904 8.984 3.538 0.14 0.00 H new ATOM 0 HH TYR A 82 2.725 11.441 2.761 0.61 0.00 H new ATOM 1316 N ALA A 83 4.724 8.110 10.573 0.32 0.00 N ATOM 1317 CA ALA A 83 4.891 7.556 11.911 0.13 0.00 C ATOM 1318 C ALA A 83 4.000 6.336 12.115 0.10 0.00 C ATOM 1319 O ALA A 83 4.416 5.344 12.715 0.94 0.00 O ATOM 1320 CB ALA A 83 4.588 8.615 12.959 1.00 0.00 C ATOM 0 H ALA A 83 4.312 9.043 10.553 0.32 0.00 H new ATOM 0 HA ALA A 83 5.928 7.237 12.020 0.13 0.00 H new ATOM 0 HB1 ALA A 83 4.716 8.189 13.954 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.270 9.456 12.834 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.561 8.960 12.841 1.00 0.00 H new ATOM 1326 N ASP A 84 2.773 6.418 11.613 0.41 0.00 N ATOM 1327 CA ASP A 84 1.820 5.320 11.737 0.33 0.00 C ATOM 1328 C ASP A 84 2.173 4.184 10.782 0.60 0.00 C ATOM 1329 O ASP A 84 1.529 3.135 10.783 0.17 0.00 O ATOM 1330 CB ASP A 84 0.401 5.815 11.455 0.72 0.00 C ATOM 1331 CG ASP A 84 -0.037 6.899 12.420 0.33 0.00 C ATOM 1332 OD1 ASP A 84 0.249 8.085 12.152 0.81 0.00 O ATOM 1333 OD2 ASP A 84 -0.666 6.563 13.446 0.35 0.00 O ATOM 0 H ASP A 84 2.414 7.233 11.116 0.41 0.00 H new ATOM 0 HA ASP A 84 1.870 4.942 12.758 0.33 0.00 H new ATOM 0 HB2 ASP A 84 0.349 6.197 10.436 0.72 0.00 H new ATOM 0 HB3 ASP A 84 -0.292 4.976 11.517 0.72 0.00 H new ATOM 1338 N GLY A 85 3.202 4.403 9.968 0.60 0.00 N ATOM 1339 CA GLY A 85 3.625 3.393 9.017 1.00 0.00 C ATOM 1340 C GLY A 85 2.809 3.424 7.740 0.93 0.00 C ATOM 1341 O GLY A 85 2.859 2.488 6.941 1.00 0.00 O ATOM 0 H GLY A 85 3.750 5.263 9.951 0.60 0.00 H new ATOM 0 HA2 GLY A 85 4.677 3.543 8.776 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.540 2.408 9.476 1.00 0.00 H new ATOM 1345 N SER A 86 2.056 4.504 7.549 1.00 0.00 N ATOM 1346 CA SER A 86 1.225 4.659 6.359 0.34 0.00 C ATOM 1347 C SER A 86 2.090 4.895 5.123 0.21 0.00 C ATOM 1348 O SER A 86 3.318 4.906 5.209 0.25 0.00 O ATOM 1349 CB SER A 86 0.245 5.820 6.543 0.13 0.00 C ATOM 1350 OG SER A 86 -0.611 5.594 7.650 0.11 0.00 O ATOM 0 H SER A 86 2.004 5.285 8.203 1.00 0.00 H new ATOM 0 HA SER A 86 0.660 3.738 6.215 0.34 0.00 H new ATOM 0 HB2 SER A 86 0.798 6.747 6.691 0.13 0.00 H new ATOM 0 HB3 SER A 86 -0.350 5.945 5.638 0.13 0.00 H new ATOM 0 HG SER A 86 -1.226 6.350 7.747 0.11 0.00 H new ATOM 1356 N ILE A 87 1.442 5.087 3.977 0.11 0.00 N ATOM 1357 CA ILE A 87 2.159 5.319 2.728 0.13 0.00 C ATOM 1358 C ILE A 87 1.784 6.666 2.116 0.54 0.00 C ATOM 1359 O ILE A 87 0.617 7.053 2.112 1.00 0.00 O ATOM 1360 CB ILE A 87 1.878 4.206 1.697 1.00 0.00 C ATOM 1361 CG1 ILE A 87 2.190 2.831 2.291 0.92 0.00 C ATOM 1362 CG2 ILE A 87 2.690 4.433 0.430 0.08 0.00 C ATOM 1363 CD1 ILE A 87 1.038 2.222 3.064 0.08 0.00 C ATOM 0 H ILE A 87 0.426 5.086 3.888 0.11 0.00 H new ATOM 0 HA ILE A 87 3.221 5.317 2.974 0.13 0.00 H new ATOM 0 HB ILE A 87 0.819 4.238 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.473 2.153 1.485 0.92 0.00 H new ATOM 0 HG13 ILE A 87 3.053 2.918 2.952 0.92 0.00 H new ATOM 0 HG21 ILE A 87 2.478 3.638 -0.285 0.08 0.00 H new ATOM 0 HG22 ILE A 87 2.421 5.395 -0.007 0.08 0.00 H new ATOM 0 HG23 ILE A 87 3.753 4.429 0.673 0.08 0.00 H new ATOM 0 HD11 ILE A 87 1.336 1.249 3.454 0.08 0.00 H new ATOM 0 HD12 ILE A 87 0.768 2.878 3.892 0.08 0.00 H new ATOM 0 HD13 ILE A 87 0.180 2.101 2.403 0.08 0.00 H new ATOM 1375 N CYS A 88 2.787 7.373 1.603 0.98 0.00 N ATOM 1376 CA CYS A 88 2.568 8.674 0.982 0.20 0.00 C ATOM 1377 C CYS A 88 2.326 8.520 -0.515 1.00 0.00 C ATOM 1378 O CYS A 88 3.271 8.468 -1.304 0.67 0.00 O ATOM 1379 CB CYS A 88 3.766 9.593 1.229 0.07 0.00 C ATOM 1380 SG CYS A 88 3.555 11.272 0.590 0.72 0.00 S ATOM 0 H CYS A 88 3.760 7.066 1.606 0.98 0.00 H new ATOM 0 HA CYS A 88 1.683 9.123 1.433 0.20 0.00 H new ATOM 0 HB2 CYS A 88 3.955 9.645 2.301 0.07 0.00 H new ATOM 0 HB3 CYS A 88 4.650 9.150 0.771 0.07 0.00 H new ATOM 0 HG CYS A 88 4.619 11.972 0.849 0.72 0.00 H new ATOM 1386 N LEU A 89 1.057 8.437 -0.899 0.14 0.00 N ATOM 1387 CA LEU A 89 0.689 8.284 -2.301 1.00 0.00 C ATOM 1388 C LEU A 89 0.098 9.576 -2.851 1.00 0.00 C ATOM 1389 O LEU A 89 -0.516 10.353 -2.118 0.17 0.00 O ATOM 1390 CB LEU A 89 -0.312 7.136 -2.464 1.00 0.00 C ATOM 1391 CG LEU A 89 0.039 6.105 -3.543 0.17 0.00 C ATOM 1392 CD1 LEU A 89 0.137 6.765 -4.911 0.17 0.00 C ATOM 1393 CD2 LEU A 89 1.340 5.393 -3.200 0.87 0.00 C ATOM 0 H LEU A 89 0.265 8.473 -0.257 0.14 0.00 H new ATOM 0 HA LEU A 89 1.591 8.051 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.405 6.619 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.290 7.559 -2.694 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.761 5.365 -3.578 0.17 0.00 H new ATOM 0 HD11 LEU A 89 0.387 6.014 -5.660 0.17 0.00 H new ATOM 0 HD12 LEU A 89 -0.819 7.224 -5.163 0.17 0.00 H new ATOM 0 HD13 LEU A 89 0.913 7.530 -4.891 0.17 0.00 H new ATOM 0 HD21 LEU A 89 1.572 4.665 -3.977 0.87 0.00 H new ATOM 0 HD22 LEU A 89 2.147 6.122 -3.133 0.87 0.00 H new ATOM 0 HD23 LEU A 89 1.233 4.881 -2.244 0.87 0.00 H new ATOM 1405 N ASP A 90 0.288 9.801 -4.146 0.19 0.00 N ATOM 1406 CA ASP A 90 -0.222 11.000 -4.803 1.00 0.00 C ATOM 1407 C ASP A 90 -1.730 10.905 -5.017 1.00 0.00 C ATOM 1408 O ASP A 90 -2.374 11.878 -5.413 0.30 0.00 O ATOM 1409 CB ASP A 90 0.489 11.203 -6.142 0.80 0.00 C ATOM 1410 CG ASP A 90 0.014 12.443 -6.873 0.21 0.00 C ATOM 1411 OD1 ASP A 90 0.434 13.556 -6.492 1.00 0.00 O ATOM 1412 OD2 ASP A 90 -0.777 12.300 -7.830 1.00 0.00 O ATOM 0 H ASP A 90 0.793 9.166 -4.764 0.19 0.00 H new ATOM 0 HA ASP A 90 -0.024 11.856 -4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.563 11.276 -5.971 0.80 0.00 H new ATOM 0 HB3 ASP A 90 0.325 10.329 -6.772 0.80 0.00 H new ATOM 1417 N ILE A 91 -2.292 9.729 -4.750 1.00 0.00 N ATOM 1418 CA ILE A 91 -3.724 9.512 -4.917 0.51 0.00 C ATOM 1419 C ILE A 91 -4.521 10.215 -3.819 0.07 0.00 C ATOM 1420 O ILE A 91 -5.728 10.419 -3.947 0.91 0.00 O ATOM 1421 CB ILE A 91 -4.070 8.008 -4.914 1.00 0.00 C ATOM 1422 CG1 ILE A 91 -5.483 7.786 -5.463 0.16 0.00 C ATOM 1423 CG2 ILE A 91 -3.945 7.433 -3.508 0.87 0.00 C ATOM 1424 CD1 ILE A 91 -5.849 6.326 -5.633 1.00 0.00 C ATOM 0 H ILE A 91 -1.777 8.913 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.998 9.935 -5.883 0.51 0.00 H new ATOM 0 HB ILE A 91 -3.362 7.488 -5.560 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.202 8.256 -4.792 0.16 0.00 H new ATOM 0 HG13 ILE A 91 -5.572 8.288 -6.426 0.16 0.00 H new ATOM 0 HG21 ILE A 91 -4.193 6.372 -3.526 0.87 0.00 H new ATOM 0 HG22 ILE A 91 -2.923 7.561 -3.152 0.87 0.00 H new ATOM 0 HG23 ILE A 91 -4.630 7.954 -2.839 0.87 0.00 H new ATOM 0 HD11 ILE A 91 -6.863 6.248 -6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.154 5.855 -6.328 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.794 5.822 -4.668 1.00 0.00 H new ATOM 1436 N LEU A 92 -3.835 10.587 -2.740 0.16 0.00 N ATOM 1437 CA LEU A 92 -4.481 11.264 -1.619 1.00 0.00 C ATOM 1438 C LEU A 92 -4.598 12.764 -1.875 0.32 0.00 C ATOM 1439 O LEU A 92 -5.252 13.482 -1.118 0.09 0.00 O ATOM 1440 CB LEU A 92 -3.700 11.018 -0.325 0.43 0.00 C ATOM 1441 CG LEU A 92 -3.621 9.556 0.123 1.00 0.00 C ATOM 1442 CD1 LEU A 92 -2.735 9.422 1.351 0.12 0.00 C ATOM 1443 CD2 LEU A 92 -5.013 9.010 0.410 0.16 0.00 C ATOM 0 H LEU A 92 -2.834 10.431 -2.619 0.16 0.00 H new ATOM 0 HA LEU A 92 -5.485 10.853 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.686 11.397 -0.454 0.43 0.00 H new ATOM 0 HB3 LEU A 92 -4.159 11.601 0.473 0.43 0.00 H new ATOM 0 HG LEU A 92 -3.181 8.972 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.691 8.376 1.655 0.12 0.00 H new ATOM 0 HD12 LEU A 92 -1.731 9.774 1.115 0.12 0.00 H new ATOM 0 HD13 LEU A 92 -3.148 10.019 2.164 0.12 0.00 H new ATOM 0 HD21 LEU A 92 -4.938 7.970 0.727 0.16 0.00 H new ATOM 0 HD22 LEU A 92 -5.478 9.598 1.201 0.16 0.00 H new ATOM 0 HD23 LEU A 92 -5.621 9.071 -0.493 0.16 0.00 H new ATOM 1455 N GLN A 93 -3.963 13.229 -2.946 1.00 0.00 N ATOM 1456 CA GLN A 93 -3.995 14.643 -3.304 1.00 0.00 C ATOM 1457 C GLN A 93 -5.237 14.967 -4.128 0.28 0.00 C ATOM 1458 O GLN A 93 -6.249 14.270 -4.039 0.39 0.00 O ATOM 1459 CB GLN A 93 -2.733 15.021 -4.081 1.00 0.00 C ATOM 1460 CG GLN A 93 -1.452 14.815 -3.288 0.14 0.00 C ATOM 1461 CD GLN A 93 -0.209 15.159 -4.084 0.79 0.00 C ATOM 1462 OE1 GLN A 93 -0.238 16.022 -4.962 1.00 0.00 O ATOM 1463 NE2 GLN A 93 0.892 14.482 -3.781 0.31 0.00 N ATOM 0 H GLN A 93 -3.419 12.646 -3.582 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.033 15.227 -2.384 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -2.686 14.428 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -2.801 16.066 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -1.484 15.430 -2.388 0.14 0.00 H new ATOM 0 HG3 GLN A 93 -1.394 13.776 -2.963 0.14 0.00 H new ATOM 0 HE21 GLN A 93 0.870 13.775 -3.046 0.31 0.00 H new ATOM 0 HE22 GLN A 93 1.760 14.668 -4.283 0.31 0.00 H new ATOM 1472 N ASN A 94 -5.159 16.028 -4.927 0.48 0.00 N ATOM 1473 CA ASN A 94 -6.280 16.441 -5.765 0.26 0.00 C ATOM 1474 C ASN A 94 -6.625 15.363 -6.789 0.09 0.00 C ATOM 1475 O ASN A 94 -7.668 15.423 -7.441 0.08 0.00 O ATOM 1476 CB ASN A 94 -5.952 17.752 -6.480 0.08 0.00 C ATOM 1477 CG ASN A 94 -7.132 18.293 -7.267 0.08 0.00 C ATOM 1478 OD1 ASN A 94 -8.287 18.073 -6.906 0.07 0.00 O ATOM 1479 ND2 ASN A 94 -6.845 19.005 -8.351 0.51 0.00 N ATOM 0 H ASN A 94 -4.331 16.617 -5.011 0.48 0.00 H new ATOM 0 HA ASN A 94 -7.145 16.592 -5.120 0.26 0.00 H new ATOM 0 HB2 ASN A 94 -5.637 18.494 -5.746 0.08 0.00 H new ATOM 0 HB3 ASN A 94 -5.111 17.594 -7.155 0.08 0.00 H new ATOM 0 HD21 ASN A 94 -7.597 19.393 -8.920 0.51 0.00 H new ATOM 0 HD22 ASN A 94 -5.872 19.163 -8.614 0.51 0.00 H new ATOM 1486 N ARG A 95 -5.744 14.377 -6.924 0.16 0.00 N ATOM 1487 CA ARG A 95 -5.954 13.287 -7.869 0.05 0.00 C ATOM 1488 C ARG A 95 -6.965 12.283 -7.326 0.23 0.00 C ATOM 1489 O ARG A 95 -7.392 11.372 -8.035 0.29 0.00 O ATOM 1490 CB ARG A 95 -4.629 12.585 -8.172 0.60 0.00 C ATOM 1491 CG ARG A 95 -3.557 13.515 -8.720 1.00 0.00 C ATOM 1492 CD ARG A 95 -3.957 14.101 -10.066 1.00 0.00 C ATOM 1493 NE ARG A 95 -4.167 13.065 -11.071 0.54 0.00 N ATOM 1494 CZ ARG A 95 -4.704 13.293 -12.266 1.00 0.00 C ATOM 1495 NH1 ARG A 95 -5.085 14.519 -12.604 0.11 0.00 N ATOM 1496 NH2 ARG A 95 -4.862 12.295 -13.125 0.14 0.00 N ATOM 0 H ARG A 95 -4.877 14.311 -6.390 0.16 0.00 H new ATOM 0 HA ARG A 95 -6.351 13.710 -8.792 0.05 0.00 H new ATOM 0 HB2 ARG A 95 -4.259 12.116 -7.260 0.60 0.00 H new ATOM 0 HB3 ARG A 95 -4.807 11.786 -8.892 0.60 0.00 H new ATOM 0 HG2 ARG A 95 -3.378 14.322 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -2.620 12.969 -8.825 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.870 14.685 -9.951 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.182 14.786 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.886 12.111 -10.844 0.54 0.00 H new ATOM 0 HH11 ARG A 95 -4.966 15.290 -11.946 0.11 0.00 H new ATOM 0 HH12 ARG A 95 -5.497 14.690 -13.521 0.11 0.00 H new ATOM 0 HH21 ARG A 95 -4.572 11.351 -12.869 0.14 0.00 H new ATOM 0 HH22 ARG A 95 -5.274 12.471 -14.041 0.14 0.00 H new ATOM 1510 N TRP A 96 -7.343 12.456 -6.064 0.21 0.00 N ATOM 1511 CA TRP A 96 -8.306 11.568 -5.421 0.64 0.00 C ATOM 1512 C TRP A 96 -9.655 11.627 -6.130 0.63 0.00 C ATOM 1513 O TRP A 96 -10.104 12.695 -6.543 1.00 0.00 O ATOM 1514 CB TRP A 96 -8.469 11.946 -3.948 0.30 0.00 C ATOM 1515 CG TRP A 96 -9.496 11.126 -3.227 0.16 0.00 C ATOM 1516 CD1 TRP A 96 -10.651 11.579 -2.658 0.26 0.00 C ATOM 1517 CD2 TRP A 96 -9.462 9.712 -2.998 0.62 0.00 C ATOM 1518 NE1 TRP A 96 -11.336 10.534 -2.086 0.05 0.00 N ATOM 1519 CE2 TRP A 96 -10.627 9.378 -2.282 1.00 0.00 C ATOM 1520 CE3 TRP A 96 -8.560 8.696 -3.329 0.08 0.00 C ATOM 1521 CZ2 TRP A 96 -10.911 8.073 -1.892 0.14 0.00 C ATOM 1522 CZ3 TRP A 96 -8.845 7.401 -2.940 1.00 0.00 C ATOM 1523 CH2 TRP A 96 -10.012 7.100 -2.229 0.19 0.00 C ATOM 0 H TRP A 96 -6.996 13.205 -5.464 0.21 0.00 H new ATOM 0 HA TRP A 96 -7.928 10.548 -5.487 0.64 0.00 H new ATOM 0 HB2 TRP A 96 -7.509 11.834 -3.445 0.30 0.00 H new ATOM 0 HB3 TRP A 96 -8.744 12.999 -3.880 0.30 0.00 H new ATOM 0 HD1 TRP A 96 -10.979 12.608 -2.657 0.26 0.00 H new ATOM 0 HE1 TRP A 96 -12.227 10.607 -1.595 0.05 0.00 H new ATOM 0 HE3 TRP A 96 -7.657 8.919 -3.878 0.08 0.00 H new ATOM 0 HZ2 TRP A 96 -11.810 7.837 -1.342 0.14 0.00 H new ATOM 0 HZ3 TRP A 96 -8.155 6.608 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.206 6.078 -1.940 0.19 0.00 H new ATOM 1534 N SER A 97 -10.297 10.469 -6.267 0.11 0.00 N ATOM 1535 CA SER A 97 -11.595 10.387 -6.928 1.00 0.00 C ATOM 1536 C SER A 97 -12.640 9.757 -6.006 0.08 0.00 C ATOM 1537 O SER A 97 -12.318 8.882 -5.202 1.00 0.00 O ATOM 1538 CB SER A 97 -11.479 9.572 -8.216 0.08 0.00 C ATOM 1539 OG SER A 97 -10.574 10.177 -9.124 0.93 0.00 O ATOM 0 H SER A 97 -9.939 9.576 -5.929 0.11 0.00 H new ATOM 0 HA SER A 97 -11.917 11.400 -7.171 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.143 8.562 -7.982 0.08 0.00 H new ATOM 0 HB3 SER A 97 -12.460 9.481 -8.682 0.08 0.00 H new ATOM 0 HG SER A 97 -10.517 9.635 -9.939 0.93 0.00 H new ATOM 1545 N PRO A 98 -13.912 10.192 -6.110 1.00 0.00 N ATOM 1546 CA PRO A 98 -14.995 9.658 -5.280 0.15 0.00 C ATOM 1547 C PRO A 98 -15.422 8.259 -5.713 0.13 0.00 C ATOM 1548 O PRO A 98 -15.858 7.448 -4.895 0.86 0.00 O ATOM 1549 CB PRO A 98 -16.129 10.659 -5.494 0.54 0.00 C ATOM 1550 CG PRO A 98 -15.886 11.219 -6.853 0.33 0.00 C ATOM 1551 CD PRO A 98 -14.392 11.237 -7.038 1.00 0.00 C ATOM 0 HA PRO A 98 -14.697 9.550 -4.237 0.15 0.00 H new ATOM 0 HB2 PRO A 98 -17.103 10.173 -5.434 0.54 0.00 H new ATOM 0 HB3 PRO A 98 -16.116 11.441 -4.735 0.54 0.00 H new ATOM 0 HG2 PRO A 98 -16.366 10.608 -7.617 0.33 0.00 H new ATOM 0 HG3 PRO A 98 -16.301 12.223 -6.940 0.33 0.00 H new ATOM 0 HD2 PRO A 98 -14.113 11.016 -8.068 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -13.970 12.212 -6.796 1.00 0.00 H new ATOM 1559 N THR A 99 -15.295 7.985 -7.008 0.28 0.00 N ATOM 1560 CA THR A 99 -15.660 6.685 -7.556 0.85 0.00 C ATOM 1561 C THR A 99 -14.448 5.755 -7.595 0.68 0.00 C ATOM 1562 O THR A 99 -14.346 4.881 -8.458 0.25 0.00 O ATOM 1563 CB THR A 99 -16.247 6.821 -8.971 0.15 0.00 C ATOM 1564 OG1 THR A 99 -16.632 5.536 -9.476 0.29 0.00 O ATOM 1565 CG2 THR A 99 -15.232 7.456 -9.900 0.06 0.00 C ATOM 0 H THR A 99 -14.941 8.648 -7.698 0.28 0.00 H new ATOM 0 HA THR A 99 -16.420 6.258 -6.902 0.85 0.00 H new ATOM 0 HB THR A 99 -17.129 7.459 -8.920 0.15 0.00 H new ATOM 0 HG1 THR A 99 -15.876 4.916 -9.403 0.29 0.00 H new ATOM 0 HG21 THR A 99 -15.660 7.547 -10.899 0.06 0.00 H new ATOM 0 HG22 THR A 99 -14.967 8.445 -9.527 0.06 0.00 H new ATOM 0 HG23 THR A 99 -14.339 6.833 -9.943 0.06 0.00 H new ATOM 1573 N TYR A 100 -13.538 5.952 -6.645 0.06 0.00 N ATOM 1574 CA TYR A 100 -12.323 5.146 -6.555 0.38 0.00 C ATOM 1575 C TYR A 100 -12.647 3.655 -6.484 0.12 0.00 C ATOM 1576 O TYR A 100 -13.802 3.266 -6.308 1.00 0.00 O ATOM 1577 CB TYR A 100 -11.510 5.555 -5.324 0.07 0.00 C ATOM 1578 CG TYR A 100 -12.192 5.234 -4.011 0.39 0.00 C ATOM 1579 CD1 TYR A 100 -13.253 6.006 -3.552 0.12 0.00 C ATOM 1580 CD2 TYR A 100 -11.774 4.163 -3.230 0.10 0.00 C ATOM 1581 CE1 TYR A 100 -13.878 5.718 -2.353 0.07 0.00 C ATOM 1582 CE2 TYR A 100 -12.394 3.871 -2.031 0.07 0.00 C ATOM 1583 CZ TYR A 100 -13.445 4.649 -1.597 0.89 0.00 C ATOM 1584 OH TYR A 100 -14.063 4.361 -0.401 1.00 0.00 O ATOM 0 H TYR A 100 -13.620 6.667 -5.922 0.06 0.00 H new ATOM 0 HA TYR A 100 -11.737 5.326 -7.456 0.38 0.00 H new ATOM 0 HB2 TYR A 100 -10.544 5.052 -5.354 0.07 0.00 H new ATOM 0 HB3 TYR A 100 -11.313 6.626 -5.369 0.07 0.00 H new ATOM 0 HD1 TYR A 100 -13.594 6.844 -4.141 0.12 0.00 H new ATOM 0 HD2 TYR A 100 -10.951 3.549 -3.566 0.10 0.00 H new ATOM 0 HE1 TYR A 100 -14.701 6.327 -2.010 0.07 0.00 H new ATOM 0 HE2 TYR A 100 -12.056 3.036 -1.436 0.07 0.00 H new ATOM 0 HH TYR A 100 -13.638 3.577 0.006 1.00 0.00 H new ATOM 1594 N ASP A 101 -11.613 2.831 -6.618 1.00 0.00 N ATOM 1595 CA ASP A 101 -11.771 1.383 -6.567 1.00 0.00 C ATOM 1596 C ASP A 101 -10.657 0.753 -5.734 0.27 0.00 C ATOM 1597 O ASP A 101 -9.531 1.250 -5.711 0.08 0.00 O ATOM 1598 CB ASP A 101 -11.770 0.798 -7.981 0.11 0.00 C ATOM 1599 CG ASP A 101 -10.539 1.191 -8.773 0.55 0.00 C ATOM 1600 OD1 ASP A 101 -10.473 2.352 -9.229 0.10 0.00 O ATOM 1601 OD2 ASP A 101 -9.644 0.338 -8.943 0.13 0.00 O ATOM 0 H ASP A 101 -10.653 3.144 -6.763 1.00 0.00 H new ATOM 0 HA ASP A 101 -12.727 1.156 -6.095 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.827 -0.289 -7.921 0.11 0.00 H new ATOM 0 HB3 ASP A 101 -12.661 1.135 -8.510 0.11 0.00 H new ATOM 1606 N VAL A 102 -10.982 -0.340 -5.048 1.00 0.00 N ATOM 1607 CA VAL A 102 -10.010 -1.036 -4.211 0.06 0.00 C ATOM 1608 C VAL A 102 -8.786 -1.454 -5.020 0.32 0.00 C ATOM 1609 O VAL A 102 -7.673 -1.504 -4.498 1.00 0.00 O ATOM 1610 CB VAL A 102 -10.635 -2.279 -3.548 0.06 0.00 C ATOM 1611 CG1 VAL A 102 -9.623 -2.983 -2.656 0.45 0.00 C ATOM 1612 CG2 VAL A 102 -11.873 -1.890 -2.753 1.00 0.00 C ATOM 0 H VAL A 102 -11.911 -0.762 -5.056 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.699 -0.339 -3.433 0.06 0.00 H new ATOM 0 HB VAL A 102 -10.933 -2.973 -4.334 0.06 0.00 H new ATOM 0 HG11 VAL A 102 -10.087 -3.857 -2.199 0.45 0.00 H new ATOM 0 HG12 VAL A 102 -8.767 -3.297 -3.254 0.45 0.00 H new ATOM 0 HG13 VAL A 102 -9.289 -2.300 -1.875 0.45 0.00 H new ATOM 0 HG21 VAL A 102 -12.303 -2.779 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.598 -1.175 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.606 -1.437 -3.420 1.00 0.00 H new ATOM 1622 N SER A 103 -9.000 -1.751 -6.297 1.00 0.00 N ATOM 1623 CA SER A 103 -7.913 -2.163 -7.178 0.13 0.00 C ATOM 1624 C SER A 103 -6.936 -1.017 -7.409 0.25 0.00 C ATOM 1625 O SER A 103 -5.737 -1.233 -7.581 0.07 0.00 O ATOM 1626 CB SER A 103 -8.472 -2.649 -8.515 0.06 0.00 C ATOM 1627 OG SER A 103 -9.351 -3.744 -8.329 1.00 0.00 O ATOM 0 H SER A 103 -9.916 -1.714 -6.745 1.00 0.00 H new ATOM 0 HA SER A 103 -7.377 -2.981 -6.696 0.13 0.00 H new ATOM 0 HB2 SER A 103 -9.000 -1.834 -9.010 0.06 0.00 H new ATOM 0 HB3 SER A 103 -7.652 -2.943 -9.171 0.06 0.00 H new ATOM 0 HG SER A 103 -9.446 -4.234 -9.172 1.00 0.00 H new ATOM 1633 N SER A 104 -7.458 0.205 -7.413 0.23 0.00 N ATOM 1634 CA SER A 104 -6.639 1.393 -7.630 0.80 0.00 C ATOM 1635 C SER A 104 -5.642 1.595 -6.494 0.68 0.00 C ATOM 1636 O SER A 104 -4.462 1.849 -6.732 0.11 0.00 O ATOM 1637 CB SER A 104 -7.527 2.629 -7.771 0.18 0.00 C ATOM 1638 OG SER A 104 -6.749 3.795 -7.971 1.00 0.00 O ATOM 0 H SER A 104 -8.449 0.399 -7.268 0.23 0.00 H new ATOM 0 HA SER A 104 -6.077 1.247 -8.552 0.80 0.00 H new ATOM 0 HB2 SER A 104 -8.211 2.496 -8.610 0.18 0.00 H new ATOM 0 HB3 SER A 104 -8.139 2.745 -6.876 0.18 0.00 H new ATOM 0 HG SER A 104 -7.340 4.572 -8.060 1.00 0.00 H new ATOM 1644 N ILE A 105 -6.122 1.479 -5.259 1.00 0.00 N ATOM 1645 CA ILE A 105 -5.271 1.656 -4.087 1.00 0.00 C ATOM 1646 C ILE A 105 -4.145 0.621 -4.074 1.00 0.00 C ATOM 1647 O ILE A 105 -3.051 0.883 -3.578 0.90 0.00 O ATOM 1648 CB ILE A 105 -6.096 1.571 -2.778 0.34 0.00 C ATOM 1649 CG1 ILE A 105 -5.576 2.576 -1.740 0.22 0.00 C ATOM 1650 CG2 ILE A 105 -6.092 0.157 -2.208 0.05 0.00 C ATOM 1651 CD1 ILE A 105 -4.160 2.312 -1.271 0.63 0.00 C ATOM 0 H ILE A 105 -7.096 1.263 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.829 2.650 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.127 1.828 -3.020 0.34 0.00 H new ATOM 0 HG12 ILE A 105 -5.624 3.578 -2.166 0.22 0.00 H new ATOM 0 HG13 ILE A 105 -6.240 2.565 -0.876 0.22 0.00 H new ATOM 0 HG21 ILE A 105 -6.680 0.133 -1.290 0.05 0.00 H new ATOM 0 HG22 ILE A 105 -6.526 -0.530 -2.935 0.05 0.00 H new ATOM 0 HG23 ILE A 105 -5.067 -0.145 -1.991 0.05 0.00 H new ATOM 0 HD11 ILE A 105 -3.872 3.067 -0.540 0.63 0.00 H new ATOM 0 HD12 ILE A 105 -4.107 1.325 -0.813 0.63 0.00 H new ATOM 0 HD13 ILE A 105 -3.481 2.354 -2.123 0.63 0.00 H new ATOM 1663 N LEU A 106 -4.420 -0.553 -4.637 0.83 0.00 N ATOM 1664 CA LEU A 106 -3.431 -1.625 -4.689 0.34 0.00 C ATOM 1665 C LEU A 106 -2.351 -1.318 -5.720 0.25 0.00 C ATOM 1666 O LEU A 106 -1.158 -1.416 -5.432 1.00 0.00 O ATOM 1667 CB LEU A 106 -4.107 -2.959 -5.025 0.44 0.00 C ATOM 1668 CG LEU A 106 -5.040 -3.512 -3.946 0.49 0.00 C ATOM 1669 CD1 LEU A 106 -5.679 -4.811 -4.411 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -4.285 -3.726 -2.643 0.09 0.00 C ATOM 0 H LEU A 106 -5.317 -0.785 -5.063 0.83 0.00 H new ATOM 0 HA LEU A 106 -2.963 -1.700 -3.708 0.34 0.00 H new ATOM 0 HB2 LEU A 106 -4.677 -2.836 -5.946 0.44 0.00 H new ATOM 0 HB3 LEU A 106 -3.332 -3.699 -5.226 0.44 0.00 H new ATOM 0 HG LEU A 106 -5.830 -2.782 -3.768 0.49 0.00 H new ATOM 0 HD11 LEU A 106 -6.340 -5.191 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.255 -4.629 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -4.901 -5.546 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.966 -4.120 -1.888 0.09 0.00 H new ATOM 0 HD22 LEU A 106 -3.474 -4.436 -2.805 0.09 0.00 H new ATOM 0 HD23 LEU A 106 -3.874 -2.776 -2.301 0.09 0.00 H new ATOM 1682 N THR A 107 -2.779 -0.948 -6.922 0.07 0.00 N ATOM 1683 CA THR A 107 -1.854 -0.626 -8.000 0.46 0.00 C ATOM 1684 C THR A 107 -1.018 0.604 -7.660 1.00 0.00 C ATOM 1685 O THR A 107 0.108 0.751 -8.136 0.07 0.00 O ATOM 1686 CB THR A 107 -2.600 -0.372 -9.323 1.00 0.00 C ATOM 1687 OG1 THR A 107 -3.530 0.706 -9.164 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.342 -1.622 -9.772 0.07 0.00 C ATOM 0 H THR A 107 -3.764 -0.864 -7.174 0.07 0.00 H new ATOM 0 HA THR A 107 -1.197 -1.488 -8.119 0.46 0.00 H new ATOM 0 HB THR A 107 -1.865 -0.108 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.639 0.906 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.862 -1.420 -10.708 0.07 0.00 H new ATOM 0 HG22 THR A 107 -2.630 -2.434 -9.920 0.07 0.00 H new ATOM 0 HG23 THR A 107 -4.066 -1.909 -9.010 0.07 0.00 H new ATOM 1696 N SER A 108 -1.575 1.483 -6.833 0.09 0.00 N ATOM 1697 CA SER A 108 -0.884 2.701 -6.430 0.37 0.00 C ATOM 1698 C SER A 108 0.338 2.383 -5.573 0.49 0.00 C ATOM 1699 O SER A 108 1.419 2.929 -5.791 0.05 0.00 O ATOM 1700 CB SER A 108 -1.833 3.625 -5.665 0.34 0.00 C ATOM 1701 OG SER A 108 -2.916 4.036 -6.483 1.00 0.00 O ATOM 0 H SER A 108 -2.505 1.373 -6.429 0.09 0.00 H new ATOM 0 HA SER A 108 -0.546 3.208 -7.334 0.37 0.00 H new ATOM 0 HB2 SER A 108 -2.214 3.110 -4.783 0.34 0.00 H new ATOM 0 HB3 SER A 108 -1.287 4.500 -5.312 0.34 0.00 H new ATOM 0 HG SER A 108 -3.493 3.267 -6.673 1.00 0.00 H new ATOM 1707 N ILE A 109 0.160 1.493 -4.600 1.00 0.00 N ATOM 1708 CA ILE A 109 1.251 1.103 -3.713 0.10 0.00 C ATOM 1709 C ILE A 109 2.252 0.213 -4.443 0.06 0.00 C ATOM 1710 O ILE A 109 3.458 0.297 -4.208 0.32 0.00 O ATOM 1711 CB ILE A 109 0.726 0.367 -2.465 0.38 0.00 C ATOM 1712 CG1 ILE A 109 -0.241 1.264 -1.690 0.30 0.00 C ATOM 1713 CG2 ILE A 109 1.885 -0.066 -1.577 0.07 0.00 C ATOM 1714 CD1 ILE A 109 -0.938 0.564 -0.543 0.18 0.00 C ATOM 0 H ILE A 109 -0.728 1.029 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 109 1.749 2.018 -3.394 0.10 0.00 H new ATOM 0 HB ILE A 109 0.188 -0.525 -2.785 0.38 0.00 H new ATOM 0 HG12 ILE A 109 0.307 2.122 -1.301 0.30 0.00 H new ATOM 0 HG13 ILE A 109 -0.993 1.651 -2.378 0.30 0.00 H new ATOM 0 HG21 ILE A 109 1.497 -0.584 -0.700 0.07 0.00 H new ATOM 0 HG22 ILE A 109 2.540 -0.736 -2.134 0.07 0.00 H new ATOM 0 HG23 ILE A 109 2.448 0.812 -1.260 0.07 0.00 H new ATOM 0 HD11 ILE A 109 -1.607 1.264 -0.042 0.18 0.00 H new ATOM 0 HD12 ILE A 109 -1.515 -0.277 -0.927 0.18 0.00 H new ATOM 0 HD13 ILE A 109 -0.195 0.201 0.167 0.18 0.00 H new ATOM 1726 N GLN A 110 1.745 -0.637 -5.329 0.35 0.00 N ATOM 1727 CA GLN A 110 2.596 -1.537 -6.098 1.00 0.00 C ATOM 1728 C GLN A 110 3.535 -0.746 -7.001 0.05 0.00 C ATOM 1729 O GLN A 110 4.688 -1.126 -7.207 0.08 0.00 O ATOM 1730 CB GLN A 110 1.743 -2.490 -6.937 0.97 0.00 C ATOM 1731 CG GLN A 110 2.558 -3.480 -7.752 0.11 0.00 C ATOM 1732 CD GLN A 110 1.696 -4.341 -8.655 0.07 0.00 C ATOM 1733 OE1 GLN A 110 0.641 -3.911 -9.120 0.13 0.00 O ATOM 1734 NE2 GLN A 110 2.141 -5.566 -8.907 1.00 0.00 N ATOM 0 H GLN A 110 0.749 -0.722 -5.532 0.35 0.00 H new ATOM 0 HA GLN A 110 3.194 -2.122 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.073 -3.041 -6.277 0.97 0.00 H new ATOM 0 HB3 GLN A 110 1.117 -1.906 -7.611 0.97 0.00 H new ATOM 0 HG2 GLN A 110 3.283 -2.936 -8.358 0.11 0.00 H new ATOM 0 HG3 GLN A 110 3.124 -4.122 -7.077 0.11 0.00 H new ATOM 0 HE21 GLN A 110 3.021 -5.882 -8.501 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.602 -6.191 -9.507 1.00 0.00 H new ATOM 1743 N SER A 111 3.028 0.359 -7.539 1.00 0.00 N ATOM 1744 CA SER A 111 3.813 1.215 -8.421 0.18 0.00 C ATOM 1745 C SER A 111 4.921 1.921 -7.648 0.64 0.00 C ATOM 1746 O SER A 111 5.974 2.234 -8.204 1.00 0.00 O ATOM 1747 CB SER A 111 2.909 2.248 -9.099 0.78 0.00 C ATOM 1748 OG SER A 111 1.941 1.620 -9.920 0.31 0.00 O ATOM 0 H SER A 111 2.074 0.683 -7.379 1.00 0.00 H new ATOM 0 HA SER A 111 4.272 0.586 -9.184 0.18 0.00 H new ATOM 0 HB2 SER A 111 2.410 2.852 -8.341 0.78 0.00 H new ATOM 0 HB3 SER A 111 3.514 2.927 -9.700 0.78 0.00 H new ATOM 0 HG SER A 111 1.155 1.390 -9.382 0.31 0.00 H new ATOM 1754 N LEU A 112 4.677 2.171 -6.365 0.10 0.00 N ATOM 1755 CA LEU A 112 5.651 2.846 -5.516 0.42 0.00 C ATOM 1756 C LEU A 112 6.968 2.080 -5.490 1.00 0.00 C ATOM 1757 O LEU A 112 8.035 2.665 -5.304 0.06 0.00 O ATOM 1758 CB LEU A 112 5.106 2.996 -4.092 0.69 0.00 C ATOM 1759 CG LEU A 112 5.980 3.830 -3.153 0.41 0.00 C ATOM 1760 CD1 LEU A 112 5.982 5.288 -3.585 0.09 0.00 C ATOM 1761 CD2 LEU A 112 5.499 3.695 -1.716 0.14 0.00 C ATOM 0 H LEU A 112 3.811 1.915 -5.890 0.10 0.00 H new ATOM 0 HA LEU A 112 5.833 3.837 -5.932 0.42 0.00 H new ATOM 0 HB2 LEU A 112 4.117 3.450 -4.143 0.69 0.00 H new ATOM 0 HB3 LEU A 112 4.979 2.003 -3.661 0.69 0.00 H new ATOM 0 HG LEU A 112 7.002 3.455 -3.207 0.41 0.00 H new ATOM 0 HD11 LEU A 112 6.608 5.868 -2.907 0.09 0.00 H new ATOM 0 HD12 LEU A 112 6.375 5.367 -4.599 0.09 0.00 H new ATOM 0 HD13 LEU A 112 4.964 5.676 -3.560 0.09 0.00 H new ATOM 0 HD21 LEU A 112 6.132 4.295 -1.062 0.14 0.00 H new ATOM 0 HD22 LEU A 112 4.469 4.044 -1.643 0.14 0.00 H new ATOM 0 HD23 LEU A 112 5.551 2.650 -1.412 0.14 0.00 H new ATOM 1773 N LEU A 113 6.884 0.767 -5.678 0.05 0.00 N ATOM 1774 CA LEU A 113 8.070 -0.078 -5.685 0.24 0.00 C ATOM 1775 C LEU A 113 8.833 0.090 -6.990 0.40 0.00 C ATOM 1776 O LEU A 113 10.058 0.205 -6.998 1.00 0.00 O ATOM 1777 CB LEU A 113 7.681 -1.546 -5.515 0.25 0.00 C ATOM 1778 CG LEU A 113 6.457 -1.805 -4.641 1.00 0.00 C ATOM 1779 CD1 LEU A 113 6.172 -3.294 -4.569 0.10 0.00 C ATOM 1780 CD2 LEU A 113 6.661 -1.227 -3.249 0.07 0.00 C ATOM 0 H LEU A 113 6.008 0.267 -5.827 0.05 0.00 H new ATOM 0 HA LEU A 113 8.706 0.225 -4.853 0.24 0.00 H new ATOM 0 HB2 LEU A 113 7.498 -1.972 -6.502 0.25 0.00 H new ATOM 0 HB3 LEU A 113 8.530 -2.082 -5.089 0.25 0.00 H new ATOM 0 HG LEU A 113 5.596 -1.309 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.297 -3.467 -3.943 0.10 0.00 H new ATOM 0 HD12 LEU A 113 5.982 -3.677 -5.572 0.10 0.00 H new ATOM 0 HD13 LEU A 113 7.032 -3.809 -4.141 0.10 0.00 H new ATOM 0 HD21 LEU A 113 5.778 -1.422 -2.641 0.07 0.00 H new ATOM 0 HD22 LEU A 113 7.531 -1.693 -2.785 0.07 0.00 H new ATOM 0 HD23 LEU A 113 6.821 -0.151 -3.322 0.07 0.00 H new ATOM 1792 N ASP A 114 8.093 0.104 -8.093 0.78 0.00 N ATOM 1793 CA ASP A 114 8.691 0.248 -9.411 0.11 0.00 C ATOM 1794 C ASP A 114 9.439 1.572 -9.527 0.09 0.00 C ATOM 1795 O ASP A 114 10.664 1.596 -9.645 0.16 0.00 O ATOM 1796 CB ASP A 114 7.618 0.154 -10.496 0.17 0.00 C ATOM 1797 CG ASP A 114 8.199 0.255 -11.894 1.00 0.00 C ATOM 1798 OD1 ASP A 114 8.305 1.387 -12.412 0.62 0.00 O ATOM 1799 OD2 ASP A 114 8.548 -0.798 -12.468 0.26 0.00 O ATOM 0 H ASP A 114 7.077 0.017 -8.098 0.78 0.00 H new ATOM 0 HA ASP A 114 9.405 -0.564 -9.549 0.11 0.00 H new ATOM 0 HB2 ASP A 114 7.084 -0.791 -10.395 0.17 0.00 H new ATOM 0 HB3 ASP A 114 6.887 0.950 -10.351 0.17 0.00 H new ATOM 1804 N GLU A 115 8.693 2.671 -9.493 0.50 0.00 N ATOM 1805 CA GLU A 115 9.283 4.001 -9.593 0.40 0.00 C ATOM 1806 C GLU A 115 8.797 4.906 -8.458 0.18 0.00 C ATOM 1807 O GLU A 115 7.705 5.470 -8.532 0.81 0.00 O ATOM 1808 CB GLU A 115 8.944 4.627 -10.949 1.00 0.00 C ATOM 1809 CG GLU A 115 7.472 4.533 -11.315 1.00 0.00 C ATOM 1810 CD GLU A 115 7.154 5.205 -12.636 0.82 0.00 C ATOM 1811 OE1 GLU A 115 6.844 6.414 -12.628 0.14 0.00 O ATOM 1812 OE2 GLU A 115 7.216 4.521 -13.680 0.13 0.00 O ATOM 0 H GLU A 115 7.678 2.667 -9.397 0.50 0.00 H new ATOM 0 HA GLU A 115 10.365 3.900 -9.507 0.40 0.00 H new ATOM 0 HB2 GLU A 115 9.240 5.676 -10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.534 4.136 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.181 3.484 -11.366 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.876 4.991 -10.526 1.00 0.00 H new ATOM 1886 N PRO A 121 10.253 14.622 0.717 0.21 0.00 N ATOM 1887 CA PRO A 121 10.677 13.483 1.543 0.11 0.00 C ATOM 1888 C PRO A 121 9.958 13.432 2.888 1.00 0.00 C ATOM 1889 O PRO A 121 9.759 14.459 3.536 0.10 0.00 O ATOM 1890 CB PRO A 121 12.176 13.725 1.752 0.41 0.00 C ATOM 1891 CG PRO A 121 12.583 14.597 0.616 0.36 0.00 C ATOM 1892 CD PRO A 121 11.397 15.472 0.331 0.66 0.00 C ATOM 0 HA PRO A 121 10.446 12.533 1.062 0.11 0.00 H new ATOM 0 HB2 PRO A 121 12.369 14.208 2.710 0.41 0.00 H new ATOM 0 HB3 PRO A 121 12.732 12.787 1.750 0.41 0.00 H new ATOM 0 HG2 PRO A 121 13.457 15.194 0.875 0.36 0.00 H new ATOM 0 HG3 PRO A 121 12.850 14.003 -0.258 0.36 0.00 H new ATOM 0 HD2 PRO A 121 11.428 16.394 0.911 0.66 0.00 H new ATOM 0 HD3 PRO A 121 11.350 15.758 -0.720 0.66 0.00 H new ATOM 1900 N ALA A 122 9.571 12.226 3.297 0.96 0.00 N ATOM 1901 CA ALA A 122 8.879 12.031 4.567 0.16 0.00 C ATOM 1902 C ALA A 122 9.865 11.663 5.670 0.16 0.00 C ATOM 1903 O ALA A 122 9.643 11.967 6.844 0.13 0.00 O ATOM 1904 CB ALA A 122 7.812 10.954 4.427 0.12 0.00 C ATOM 0 H ALA A 122 9.725 11.369 2.766 0.96 0.00 H new ATOM 0 HA ALA A 122 8.396 12.969 4.842 0.16 0.00 H new ATOM 0 HB1 ALA A 122 7.304 10.819 5.382 0.12 0.00 H new ATOM 0 HB2 ALA A 122 7.088 11.255 3.670 0.12 0.00 H new ATOM 0 HB3 ALA A 122 8.279 10.015 4.129 0.12 0.00 H new ATOM 1910 N ASN A 123 10.954 11.005 5.285 0.15 0.00 N ATOM 1911 CA ASN A 123 11.986 10.596 6.234 0.18 0.00 C ATOM 1912 C ASN A 123 13.331 11.205 5.851 0.06 0.00 C ATOM 1913 O ASN A 123 13.859 10.937 4.772 0.39 0.00 O ATOM 1914 CB ASN A 123 12.092 9.069 6.276 0.30 0.00 C ATOM 1915 CG ASN A 123 12.931 8.576 7.439 1.00 0.00 C ATOM 1916 OD1 ASN A 123 13.843 9.260 7.899 0.17 0.00 O ATOM 1917 ND2 ASN A 123 12.623 7.375 7.920 0.06 0.00 N ATOM 0 H ASN A 123 11.146 10.742 4.318 0.15 0.00 H new ATOM 0 HA ASN A 123 11.709 10.957 7.225 0.18 0.00 H new ATOM 0 HB2 ASN A 123 11.092 8.641 6.346 0.30 0.00 H new ATOM 0 HB3 ASN A 123 12.527 8.713 5.342 0.30 0.00 H new ATOM 0 HD21 ASN A 123 13.152 6.988 8.701 0.06 0.00 H new ATOM 0 HD22 ASN A 123 11.858 6.841 7.508 0.06 0.00 H new ATOM 1924 N SER A 124 13.880 12.023 6.742 0.47 0.00 N ATOM 1925 CA SER A 124 15.156 12.684 6.492 0.67 0.00 C ATOM 1926 C SER A 124 16.315 11.690 6.508 0.16 0.00 C ATOM 1927 O SER A 124 17.139 11.675 5.595 0.28 0.00 O ATOM 1928 CB SER A 124 15.397 13.778 7.534 0.18 0.00 C ATOM 1929 OG SER A 124 14.355 14.737 7.515 0.06 0.00 O ATOM 0 H SER A 124 13.461 12.245 7.645 0.47 0.00 H new ATOM 0 HA SER A 124 15.108 13.132 5.499 0.67 0.00 H new ATOM 0 HB2 SER A 124 15.467 13.331 8.526 0.18 0.00 H new ATOM 0 HB3 SER A 124 16.351 14.268 7.338 0.18 0.00 H new ATOM 0 HG SER A 124 14.531 15.425 8.191 0.06 0.00 H new ATOM 1935 N GLN A 125 16.372 10.867 7.549 0.43 0.00 N ATOM 1936 CA GLN A 125 17.437 9.879 7.687 0.47 0.00 C ATOM 1937 C GLN A 125 17.425 8.877 6.534 0.08 0.00 C ATOM 1938 O GLN A 125 18.463 8.596 5.936 0.57 0.00 O ATOM 1939 CB GLN A 125 17.299 9.140 9.020 1.00 0.00 C ATOM 1940 CG GLN A 125 18.451 8.191 9.309 1.00 0.00 C ATOM 1941 CD GLN A 125 19.782 8.907 9.420 0.86 0.00 C ATOM 1942 OE1 GLN A 125 20.181 9.340 10.501 1.00 0.00 O ATOM 1943 NE2 GLN A 125 20.479 9.037 8.297 1.00 0.00 N ATOM 0 H GLN A 125 15.693 10.864 8.310 0.43 0.00 H new ATOM 0 HA GLN A 125 18.389 10.410 7.662 0.47 0.00 H new ATOM 0 HB2 GLN A 125 17.230 9.871 9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 125 16.366 8.577 9.019 1.00 0.00 H new ATOM 0 HG2 GLN A 125 18.252 7.656 10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 125 18.509 7.444 8.517 1.00 0.00 H new ATOM 0 HE21 GLN A 125 20.111 8.663 7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 125 21.382 9.511 8.309 1.00 0.00 H new ATOM 1952 N ALA A 126 16.246 8.342 6.229 0.32 0.00 N ATOM 1953 CA ALA A 126 16.100 7.364 5.156 0.94 0.00 C ATOM 1954 C ALA A 126 16.658 7.889 3.837 0.08 0.00 C ATOM 1955 O ALA A 126 17.436 7.209 3.169 0.19 0.00 O ATOM 1956 CB ALA A 126 14.636 6.980 4.994 0.62 0.00 C ATOM 0 H ALA A 126 15.377 8.570 6.711 0.32 0.00 H new ATOM 0 HA ALA A 126 16.675 6.480 5.430 0.94 0.00 H new ATOM 0 HB1 ALA A 126 14.538 6.250 4.191 0.62 0.00 H new ATOM 0 HB2 ALA A 126 14.268 6.547 5.924 0.62 0.00 H new ATOM 0 HB3 ALA A 126 14.052 7.867 4.751 0.62 0.00 H new ATOM 1962 N ALA A 127 16.255 9.099 3.468 0.17 0.00 N ATOM 1963 CA ALA A 127 16.712 9.712 2.225 0.07 0.00 C ATOM 1964 C ALA A 127 18.192 10.080 2.296 1.00 0.00 C ATOM 1965 O ALA A 127 18.904 10.019 1.293 0.46 0.00 O ATOM 1966 CB ALA A 127 15.878 10.944 1.906 0.14 0.00 C ATOM 0 H ALA A 127 15.613 9.676 4.011 0.17 0.00 H new ATOM 0 HA ALA A 127 16.587 8.981 1.427 0.07 0.00 H new ATOM 0 HB1 ALA A 127 16.230 11.391 0.976 0.14 0.00 H new ATOM 0 HB2 ALA A 127 14.832 10.657 1.797 0.14 0.00 H new ATOM 0 HB3 ALA A 127 15.974 11.668 2.715 0.14 0.00 H new ATOM 1972 N GLN A 128 18.647 10.458 3.485 0.36 0.00 N ATOM 1973 CA GLN A 128 20.041 10.842 3.683 0.37 0.00 C ATOM 1974 C GLN A 128 20.978 9.655 3.480 0.07 0.00 C ATOM 1975 O GLN A 128 22.107 9.818 3.027 0.94 0.00 O ATOM 1976 CB GLN A 128 20.239 11.424 5.085 0.06 0.00 C ATOM 1977 CG GLN A 128 21.657 11.898 5.352 0.58 0.00 C ATOM 1978 CD GLN A 128 21.865 12.329 6.791 0.29 0.00 C ATOM 1979 OE1 GLN A 128 22.227 11.522 7.647 1.00 0.00 O ATOM 1980 NE2 GLN A 128 21.635 13.608 7.063 0.29 0.00 N ATOM 0 H GLN A 128 18.072 10.507 4.326 0.36 0.00 H new ATOM 0 HA GLN A 128 20.284 11.601 2.940 0.37 0.00 H new ATOM 0 HB2 GLN A 128 19.553 12.260 5.222 0.06 0.00 H new ATOM 0 HB3 GLN A 128 19.972 10.668 5.824 0.06 0.00 H new ATOM 0 HG2 GLN A 128 22.356 11.097 5.112 0.58 0.00 H new ATOM 0 HG3 GLN A 128 21.889 12.732 4.689 0.58 0.00 H new ATOM 0 HE21 GLN A 128 21.336 14.241 6.321 0.29 0.00 H new ATOM 0 HE22 GLN A 128 21.757 13.957 8.014 0.29 0.00 H new ATOM 1989 N LEU A 129 20.499 8.463 3.822 0.08 0.00 N ATOM 1990 CA LEU A 129 21.297 7.249 3.679 1.00 0.00 C ATOM 1991 C LEU A 129 21.494 6.889 2.209 0.08 0.00 C ATOM 1992 O LEU A 129 22.482 6.253 1.844 0.06 0.00 O ATOM 1993 CB LEU A 129 20.627 6.085 4.413 0.41 0.00 C ATOM 1994 CG LEU A 129 20.605 6.203 5.938 0.62 0.00 C ATOM 1995 CD1 LEU A 129 19.721 5.123 6.543 0.59 0.00 C ATOM 1996 CD2 LEU A 129 22.015 6.113 6.501 1.00 0.00 C ATOM 0 H LEU A 129 19.564 8.311 4.200 0.08 0.00 H new ATOM 0 HA LEU A 129 22.276 7.438 4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 129 19.601 5.994 4.057 0.41 0.00 H new ATOM 0 HB3 LEU A 129 21.141 5.162 4.143 0.41 0.00 H new ATOM 0 HG LEU A 129 20.191 7.176 6.201 0.62 0.00 H new ATOM 0 HD11 LEU A 129 19.717 5.222 7.628 0.59 0.00 H new ATOM 0 HD12 LEU A 129 18.704 5.231 6.165 0.59 0.00 H new ATOM 0 HD13 LEU A 129 20.107 4.141 6.270 0.59 0.00 H new ATOM 0 HD21 LEU A 129 21.979 6.199 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 129 22.456 5.154 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 129 22.622 6.921 6.093 1.00 0.00 H new ATOM 2008 N TYR A 130 20.549 7.299 1.373 0.08 0.00 N ATOM 2009 CA TYR A 130 20.612 7.012 -0.055 1.00 0.00 C ATOM 2010 C TYR A 130 21.801 7.712 -0.712 0.87 0.00 C ATOM 2011 O TYR A 130 22.335 7.233 -1.713 0.06 0.00 O ATOM 2012 CB TYR A 130 19.312 7.441 -0.739 0.08 0.00 C ATOM 2013 CG TYR A 130 19.283 7.157 -2.225 1.00 0.00 C ATOM 2014 CD1 TYR A 130 18.948 5.898 -2.705 1.00 0.00 C ATOM 2015 CD2 TYR A 130 19.595 8.149 -3.147 0.09 0.00 C ATOM 2016 CE1 TYR A 130 18.923 5.635 -4.062 0.15 0.00 C ATOM 2017 CE2 TYR A 130 19.571 7.894 -4.505 0.15 0.00 C ATOM 2018 CZ TYR A 130 19.235 6.637 -4.958 1.00 0.00 C ATOM 2019 OH TYR A 130 19.212 6.378 -6.308 1.00 0.00 O ATOM 0 H TYR A 130 19.728 7.832 1.659 0.08 0.00 H new ATOM 0 HA TYR A 130 20.744 5.936 -0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 130 18.476 6.928 -0.264 0.08 0.00 H new ATOM 0 HB3 TYR A 130 19.163 8.509 -0.579 0.08 0.00 H new ATOM 0 HD1 TYR A 130 18.703 5.111 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 130 19.861 9.135 -2.796 0.09 0.00 H new ATOM 0 HE1 TYR A 130 18.661 4.650 -4.419 0.15 0.00 H new ATOM 0 HE2 TYR A 130 19.815 8.677 -5.208 0.15 0.00 H new ATOM 0 HH TYR A 130 19.455 7.189 -6.801 1.00 0.00 H new ATOM 2029 N GLN A 131 22.215 8.842 -0.146 0.34 0.00 N ATOM 2030 CA GLN A 131 23.335 9.602 -0.694 0.57 0.00 C ATOM 2031 C GLN A 131 24.606 9.405 0.130 0.27 0.00 C ATOM 2032 O GLN A 131 25.690 9.221 -0.423 1.00 0.00 O ATOM 2033 CB GLN A 131 22.979 11.088 -0.770 0.16 0.00 C ATOM 2034 CG GLN A 131 22.572 11.690 0.565 0.09 0.00 C ATOM 2035 CD GLN A 131 22.141 13.140 0.448 1.00 0.00 C ATOM 2036 OE1 GLN A 131 21.308 13.613 1.220 0.10 0.00 O ATOM 2037 NE2 GLN A 131 22.708 13.855 -0.519 1.00 0.00 N ATOM 0 H GLN A 131 21.794 9.251 0.688 0.34 0.00 H new ATOM 0 HA GLN A 131 23.530 9.228 -1.699 0.57 0.00 H new ATOM 0 HB2 GLN A 131 23.836 11.638 -1.160 0.16 0.00 H new ATOM 0 HB3 GLN A 131 22.164 11.221 -1.482 0.16 0.00 H new ATOM 0 HG2 GLN A 131 21.755 11.106 0.988 0.09 0.00 H new ATOM 0 HG3 GLN A 131 23.408 11.619 1.261 0.09 0.00 H new ATOM 0 HE21 GLN A 131 23.395 13.423 -1.137 1.00 0.00 H new ATOM 0 HE22 GLN A 131 22.456 14.836 -0.643 1.00 0.00 H new ATOM 2046 N GLU A 132 24.469 9.445 1.450 0.87 0.00 N ATOM 2047 CA GLU A 132 25.609 9.274 2.345 1.00 0.00 C ATOM 2048 C GLU A 132 26.146 7.849 2.284 0.50 0.00 C ATOM 2049 O GLU A 132 27.160 7.584 1.635 0.15 0.00 O ATOM 2050 CB GLU A 132 25.214 9.618 3.783 0.16 0.00 C ATOM 2051 CG GLU A 132 24.832 11.076 3.978 0.66 0.00 C ATOM 2052 CD GLU A 132 25.998 12.021 3.752 0.09 0.00 C ATOM 2053 OE1 GLU A 132 26.245 12.389 2.584 0.57 0.00 O ATOM 2054 OE2 GLU A 132 26.663 12.390 4.742 0.09 0.00 O ATOM 0 H GLU A 132 23.579 9.594 1.926 0.87 0.00 H new ATOM 0 HA GLU A 132 26.396 9.953 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.375 8.989 4.081 0.16 0.00 H new ATOM 0 HB3 GLU A 132 26.045 9.377 4.446 0.16 0.00 H new ATOM 0 HG2 GLU A 132 24.024 11.331 3.292 0.66 0.00 H new ATOM 0 HG3 GLU A 132 24.447 11.215 4.988 0.66 0.00 H new ATOM 2061 N ASN A 133 25.460 6.934 2.962 0.27 0.00 N ATOM 2062 CA ASN A 133 25.870 5.536 2.992 0.66 0.00 C ATOM 2063 C ASN A 133 24.863 4.655 2.265 0.18 0.00 C ATOM 2064 O ASN A 133 23.896 4.179 2.860 0.23 0.00 O ATOM 2065 CB ASN A 133 26.024 5.069 4.440 0.78 0.00 C ATOM 2066 CG ASN A 133 27.159 5.772 5.157 0.08 0.00 C ATOM 2067 OD1 ASN A 133 28.158 6.150 4.544 0.48 0.00 O ATOM 2068 ND2 ASN A 133 27.010 5.956 6.464 0.17 0.00 N ATOM 0 H ASN A 133 24.617 7.137 3.498 0.27 0.00 H new ATOM 0 HA ASN A 133 26.829 5.450 2.481 0.66 0.00 H new ATOM 0 HB2 ASN A 133 25.093 5.248 4.977 0.78 0.00 H new ATOM 0 HB3 ASN A 133 26.199 3.993 4.455 0.78 0.00 H new ATOM 0 HD21 ASN A 133 27.740 6.427 6.999 0.17 0.00 H new ATOM 0 HD22 ASN A 133 26.166 5.627 6.932 0.17 0.00 H new ATOM 2075 N LYS A 134 25.090 4.448 0.972 1.00 0.00 N ATOM 2076 CA LYS A 134 24.201 3.623 0.164 1.00 0.00 C ATOM 2077 C LYS A 134 24.251 2.172 0.622 0.10 0.00 C ATOM 2078 O LYS A 134 23.267 1.440 0.515 0.34 0.00 O ATOM 2079 CB LYS A 134 24.579 3.718 -1.315 0.23 0.00 C ATOM 2080 CG LYS A 134 23.661 2.924 -2.230 1.00 0.00 C ATOM 2081 CD LYS A 134 24.134 2.957 -3.677 0.16 0.00 C ATOM 2082 CE LYS A 134 25.230 1.932 -3.937 0.40 0.00 C ATOM 2083 NZ LYS A 134 26.472 2.225 -3.171 0.22 0.00 N ATOM 0 H LYS A 134 25.882 4.840 0.462 1.00 0.00 H new ATOM 0 HA LYS A 134 23.184 3.994 0.292 1.00 0.00 H new ATOM 0 HB2 LYS A 134 24.564 4.765 -1.619 0.23 0.00 H new ATOM 0 HB3 LYS A 134 25.602 3.363 -1.444 0.23 0.00 H new ATOM 0 HG2 LYS A 134 23.613 1.890 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 134 22.650 3.328 -2.169 1.00 0.00 H new ATOM 0 HD2 LYS A 134 23.291 2.763 -4.340 0.16 0.00 H new ATOM 0 HD3 LYS A 134 24.505 3.954 -3.916 0.16 0.00 H new ATOM 0 HE2 LYS A 134 24.867 0.940 -3.670 0.40 0.00 H new ATOM 0 HE3 LYS A 134 25.459 1.911 -5.002 0.40 0.00 H new ATOM 0 HZ1 LYS A 134 27.298 1.894 -3.709 0.22 0.00 H new ATOM 0 HZ2 LYS A 134 26.549 3.250 -3.014 0.22 0.00 H new ATOM 0 HZ3 LYS A 134 26.438 1.736 -2.254 0.22 0.00 H new ATOM 2097 N ARG A 135 25.408 1.762 1.135 0.10 0.00 N ATOM 2098 CA ARG A 135 25.591 0.400 1.616 0.05 0.00 C ATOM 2099 C ARG A 135 24.612 0.091 2.742 0.26 0.00 C ATOM 2100 O ARG A 135 24.163 -1.044 2.891 0.11 0.00 O ATOM 2101 CB ARG A 135 27.027 0.192 2.096 1.00 0.00 C ATOM 2102 CG ARG A 135 28.067 0.405 1.009 0.22 0.00 C ATOM 2103 CD ARG A 135 29.473 0.149 1.525 0.34 0.00 C ATOM 2104 NE ARG A 135 30.484 0.385 0.497 0.63 0.00 N ATOM 2105 CZ ARG A 135 31.793 0.295 0.715 1.00 0.00 C ATOM 2106 NH1 ARG A 135 32.247 -0.031 1.919 0.68 0.00 N ATOM 2107 NH2 ARG A 135 32.648 0.528 -0.270 1.00 0.00 N ATOM 0 H ARG A 135 26.232 2.356 1.227 0.10 0.00 H new ATOM 0 HA ARG A 135 25.395 -0.283 0.789 0.05 0.00 H new ATOM 0 HB2 ARG A 135 27.229 0.877 2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 135 27.127 -0.819 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 135 27.860 -0.260 0.170 0.22 0.00 H new ATOM 0 HG3 ARG A 135 27.997 1.425 0.632 0.22 0.00 H new ATOM 0 HD2 ARG A 135 29.668 0.795 2.381 0.34 0.00 H new ATOM 0 HD3 ARG A 135 29.548 -0.879 1.878 0.34 0.00 H new ATOM 0 HE ARG A 135 30.168 0.633 -0.441 0.63 0.00 H new ATOM 0 HH11 ARG A 135 31.592 -0.213 2.679 0.68 0.00 H new ATOM 0 HH12 ARG A 135 33.251 -0.099 2.084 0.68 0.00 H new ATOM 0 HH21 ARG A 135 32.303 0.777 -1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 135 33.652 0.459 -0.101 1.00 0.00 H new ATOM 2121 N GLU A 136 24.283 1.109 3.531 0.34 0.00 N ATOM 2122 CA GLU A 136 23.352 0.941 4.640 0.36 0.00 C ATOM 2123 C GLU A 136 21.924 0.788 4.126 0.18 0.00 C ATOM 2124 O GLU A 136 21.084 0.163 4.771 0.56 0.00 O ATOM 2125 CB GLU A 136 23.442 2.130 5.599 0.29 0.00 C ATOM 2126 CG GLU A 136 24.793 2.257 6.286 0.37 0.00 C ATOM 2127 CD GLU A 136 25.129 1.051 7.142 1.00 0.00 C ATOM 2128 OE1 GLU A 136 24.719 1.029 8.322 0.87 0.00 O ATOM 2129 OE2 GLU A 136 25.799 0.129 6.634 0.06 0.00 O ATOM 0 H GLU A 136 24.646 2.056 3.423 0.34 0.00 H new ATOM 0 HA GLU A 136 23.625 0.034 5.179 0.36 0.00 H new ATOM 0 HB2 GLU A 136 23.237 3.047 5.047 0.29 0.00 H new ATOM 0 HB3 GLU A 136 22.665 2.034 6.358 0.29 0.00 H new ATOM 0 HG2 GLU A 136 25.569 2.390 5.532 0.37 0.00 H new ATOM 0 HG3 GLU A 136 24.797 3.152 6.908 0.37 0.00 H new ATOM 2136 N TYR A 137 21.660 1.362 2.956 0.49 0.00 N ATOM 2137 CA TYR A 137 20.334 1.293 2.346 0.24 0.00 C ATOM 2138 C TYR A 137 20.064 -0.097 1.773 0.08 0.00 C ATOM 2139 O TYR A 137 19.027 -0.700 2.052 0.32 0.00 O ATOM 2140 CB TYR A 137 20.207 2.348 1.243 1.00 0.00 C ATOM 2141 CG TYR A 137 18.847 2.382 0.580 0.12 0.00 C ATOM 2142 CD1 TYR A 137 17.792 3.085 1.149 1.00 0.00 C ATOM 2143 CD2 TYR A 137 18.619 1.715 -0.617 0.26 0.00 C ATOM 2144 CE1 TYR A 137 16.550 3.122 0.544 0.42 0.00 C ATOM 2145 CE2 TYR A 137 17.380 1.748 -1.230 0.17 0.00 C ATOM 2146 CZ TYR A 137 16.349 2.452 -0.644 1.00 0.00 C ATOM 2147 OH TYR A 137 15.114 2.488 -1.250 0.21 0.00 O ATOM 0 H TYR A 137 22.347 1.881 2.410 0.49 0.00 H new ATOM 0 HA TYR A 137 19.594 1.492 3.121 0.24 0.00 H new ATOM 0 HB2 TYR A 137 20.418 3.330 1.667 1.00 0.00 H new ATOM 0 HB3 TYR A 137 20.966 2.159 0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 137 17.945 3.611 2.080 1.00 0.00 H new ATOM 0 HD2 TYR A 137 19.424 1.161 -1.077 0.26 0.00 H new ATOM 0 HE1 TYR A 137 15.741 3.673 1.000 0.42 0.00 H new ATOM 0 HE2 TYR A 137 17.221 1.226 -2.162 0.17 0.00 H new ATOM 0 HH TYR A 137 15.141 1.966 -2.079 0.21 0.00 H new ATOM 2157 N GLU A 138 21.002 -0.600 0.975 0.07 0.00 N ATOM 2158 CA GLU A 138 20.859 -1.915 0.355 0.27 0.00 C ATOM 2159 C GLU A 138 20.708 -3.013 1.406 0.15 0.00 C ATOM 2160 O GLU A 138 19.973 -3.978 1.203 1.00 0.00 O ATOM 2161 CB GLU A 138 22.061 -2.214 -0.545 0.10 0.00 C ATOM 2162 CG GLU A 138 23.392 -2.212 0.188 1.00 0.00 C ATOM 2163 CD GLU A 138 24.559 -2.531 -0.727 0.13 0.00 C ATOM 2164 OE1 GLU A 138 24.865 -3.729 -0.902 0.12 0.00 O ATOM 2165 OE2 GLU A 138 25.167 -1.583 -1.266 0.05 0.00 O ATOM 0 H GLU A 138 21.870 -0.117 0.742 0.07 0.00 H new ATOM 0 HA GLU A 138 19.953 -1.899 -0.251 0.27 0.00 H new ATOM 0 HB2 GLU A 138 21.918 -3.187 -1.016 0.10 0.00 H new ATOM 0 HB3 GLU A 138 22.097 -1.475 -1.345 0.10 0.00 H new ATOM 0 HG2 GLU A 138 23.550 -1.235 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 138 23.359 -2.942 0.997 1.00 0.00 H new ATOM 2172 N LYS A 139 21.407 -2.860 2.526 0.85 0.00 N ATOM 2173 CA LYS A 139 21.348 -3.844 3.602 0.40 0.00 C ATOM 2174 C LYS A 139 19.970 -3.855 4.258 0.28 0.00 C ATOM 2175 O LYS A 139 19.497 -4.899 4.709 0.89 0.00 O ATOM 2176 CB LYS A 139 22.427 -3.555 4.647 0.79 0.00 C ATOM 2177 CG LYS A 139 23.844 -3.765 4.134 0.15 0.00 C ATOM 2178 CD LYS A 139 24.140 -5.235 3.877 0.16 0.00 C ATOM 2179 CE LYS A 139 24.200 -6.026 5.173 1.00 0.00 C ATOM 2180 NZ LYS A 139 25.259 -5.514 6.087 1.00 0.00 N ATOM 0 H LYS A 139 22.020 -2.066 2.712 0.85 0.00 H new ATOM 0 HA LYS A 139 21.529 -4.828 3.170 0.40 0.00 H new ATOM 0 HB2 LYS A 139 22.323 -2.526 4.990 0.79 0.00 H new ATOM 0 HB3 LYS A 139 22.264 -4.197 5.512 0.79 0.00 H new ATOM 0 HG2 LYS A 139 23.985 -3.200 3.213 0.15 0.00 H new ATOM 0 HG3 LYS A 139 24.555 -3.373 4.861 0.15 0.00 H new ATOM 0 HD2 LYS A 139 23.370 -5.654 3.229 0.16 0.00 H new ATOM 0 HD3 LYS A 139 25.088 -5.329 3.348 0.16 0.00 H new ATOM 0 HE2 LYS A 139 23.233 -5.977 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 139 24.390 -7.076 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 25.479 -6.236 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 26.116 -5.297 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 24.922 -4.651 6.559 1.00 0.00 H new ATOM 2194 N ARG A 140 19.334 -2.690 4.309 0.13 0.00 N ATOM 2195 CA ARG A 140 18.008 -2.568 4.908 1.00 0.00 C ATOM 2196 C ARG A 140 16.947 -3.216 4.026 1.00 0.00 C ATOM 2197 O ARG A 140 15.964 -3.764 4.523 0.43 0.00 O ATOM 2198 CB ARG A 140 17.662 -1.095 5.139 0.85 0.00 C ATOM 2199 CG ARG A 140 18.454 -0.447 6.263 1.00 0.00 C ATOM 2200 CD ARG A 140 18.074 -1.017 7.621 1.00 0.00 C ATOM 2201 NE ARG A 140 18.740 -0.315 8.714 1.00 0.00 N ATOM 2202 CZ ARG A 140 18.760 -0.755 9.969 1.00 0.00 C ATOM 2203 NH1 ARG A 140 18.161 -1.895 10.286 0.13 0.00 N ATOM 2204 NH2 ARG A 140 19.382 -0.055 10.909 0.22 0.00 N ATOM 0 H ARG A 140 19.714 -1.817 3.943 0.13 0.00 H new ATOM 0 HA ARG A 140 18.024 -3.087 5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 140 17.838 -0.541 4.217 0.85 0.00 H new ATOM 0 HB3 ARG A 140 16.598 -1.012 5.362 0.85 0.00 H new ATOM 0 HG2 ARG A 140 19.520 -0.597 6.091 1.00 0.00 H new ATOM 0 HG3 ARG A 140 18.279 0.629 6.258 1.00 0.00 H new ATOM 0 HD2 ARG A 140 16.994 -0.951 7.753 1.00 0.00 H new ATOM 0 HD3 ARG A 140 18.336 -2.075 7.656 1.00 0.00 H new ATOM 0 HE ARG A 140 19.217 0.562 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 140 17.683 -2.437 9.566 0.13 0.00 H new ATOM 0 HH12 ARG A 140 18.178 -2.229 11.249 0.13 0.00 H new ATOM 0 HH21 ARG A 140 19.845 0.822 10.669 0.22 0.00 H new ATOM 0 HH22 ARG A 140 19.397 -0.393 11.871 0.22 0.00 H new ATOM 2218 N VAL A 141 17.152 -3.148 2.714 0.06 0.00 N ATOM 2219 CA VAL A 141 16.209 -3.723 1.764 0.55 0.00 C ATOM 2220 C VAL A 141 16.212 -5.248 1.832 0.39 0.00 C ATOM 2221 O VAL A 141 15.156 -5.876 1.911 0.24 0.00 O ATOM 2222 CB VAL A 141 16.526 -3.280 0.321 0.23 0.00 C ATOM 2223 CG1 VAL A 141 15.534 -3.886 -0.661 1.00 0.00 C ATOM 2224 CG2 VAL A 141 16.527 -1.763 0.219 0.09 0.00 C ATOM 0 H VAL A 141 17.963 -2.701 2.286 0.06 0.00 H new ATOM 0 HA VAL A 141 15.220 -3.356 2.040 0.55 0.00 H new ATOM 0 HB VAL A 141 17.521 -3.643 0.062 0.23 0.00 H new ATOM 0 HG11 VAL A 141 15.777 -3.560 -1.672 1.00 0.00 H new ATOM 0 HG12 VAL A 141 15.588 -4.973 -0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 141 14.525 -3.560 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 141 16.752 -1.467 -0.806 0.09 0.00 H new ATOM 0 HG22 VAL A 141 15.546 -1.379 0.500 0.09 0.00 H new ATOM 0 HG23 VAL A 141 17.283 -1.354 0.889 0.09 0.00 H new ATOM 2234 N SER A 142 17.402 -5.838 1.805 0.06 0.00 N ATOM 2235 CA SER A 142 17.536 -7.288 1.861 0.47 0.00 C ATOM 2236 C SER A 142 17.081 -7.823 3.215 0.55 0.00 C ATOM 2237 O SER A 142 16.587 -8.945 3.317 0.53 0.00 O ATOM 2238 CB SER A 142 18.985 -7.701 1.597 0.26 0.00 C ATOM 2239 OG SER A 142 19.419 -7.260 0.322 1.00 0.00 O ATOM 0 H SER A 142 18.287 -5.334 1.745 0.06 0.00 H new ATOM 0 HA SER A 142 16.899 -7.716 1.087 0.47 0.00 H new ATOM 0 HB2 SER A 142 19.631 -7.283 2.369 0.26 0.00 H new ATOM 0 HB3 SER A 142 19.074 -8.786 1.659 0.26 0.00 H new ATOM 0 HG SER A 142 20.349 -7.536 0.179 1.00 0.00 H new ATOM 2245 N ALA A 143 17.251 -7.010 4.251 0.33 0.00 N ATOM 2246 CA ALA A 143 16.863 -7.397 5.601 0.94 0.00 C ATOM 2247 C ALA A 143 15.348 -7.512 5.738 0.36 0.00 C ATOM 2248 O ALA A 143 14.823 -8.574 6.069 0.66 0.00 O ATOM 2249 CB ALA A 143 17.407 -6.397 6.610 0.15 0.00 C ATOM 0 H ALA A 143 17.656 -6.076 4.181 0.33 0.00 H new ATOM 0 HA ALA A 143 17.291 -8.379 5.802 0.94 0.00 H new ATOM 0 HB1 ALA A 143 17.111 -6.697 7.615 0.15 0.00 H new ATOM 0 HB2 ALA A 143 18.495 -6.370 6.545 0.15 0.00 H new ATOM 0 HB3 ALA A 143 17.006 -5.407 6.393 0.15 0.00 H new ATOM 2255 N ILE A 144 14.653 -6.408 5.474 0.29 0.00 N ATOM 2256 CA ILE A 144 13.197 -6.371 5.578 0.06 0.00 C ATOM 2257 C ILE A 144 12.539 -7.434 4.701 0.78 0.00 C ATOM 2258 O ILE A 144 11.481 -7.961 5.042 1.00 0.00 O ATOM 2259 CB ILE A 144 12.643 -4.984 5.192 1.00 0.00 C ATOM 2260 CG1 ILE A 144 12.982 -4.661 3.733 0.28 0.00 C ATOM 2261 CG2 ILE A 144 13.202 -3.918 6.122 0.28 0.00 C ATOM 2262 CD1 ILE A 144 12.376 -3.365 3.241 0.32 0.00 C ATOM 0 H ILE A 144 15.076 -5.526 5.186 0.29 0.00 H new ATOM 0 HA ILE A 144 12.956 -6.578 6.621 0.06 0.00 H new ATOM 0 HB ILE A 144 11.558 -4.998 5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 144 14.065 -4.610 3.624 0.28 0.00 H new ATOM 0 HG13 ILE A 144 12.636 -5.477 3.099 0.28 0.00 H new ATOM 0 HG21 ILE A 144 12.804 -2.943 5.839 0.28 0.00 H new ATOM 0 HG22 ILE A 144 12.914 -4.144 7.149 0.28 0.00 H new ATOM 0 HG23 ILE A 144 14.289 -3.902 6.045 0.28 0.00 H new ATOM 0 HD11 ILE A 144 12.659 -3.203 2.201 0.32 0.00 H new ATOM 0 HD12 ILE A 144 11.290 -3.419 3.317 0.32 0.00 H new ATOM 0 HD13 ILE A 144 12.742 -2.538 3.850 0.32 0.00 H new ATOM 2274 N VAL A 145 13.169 -7.746 3.574 0.81 0.00 N ATOM 2275 CA VAL A 145 12.637 -8.743 2.655 0.22 0.00 C ATOM 2276 C VAL A 145 12.788 -10.154 3.220 0.07 0.00 C ATOM 2277 O VAL A 145 11.846 -10.945 3.185 0.38 0.00 O ATOM 2278 CB VAL A 145 13.325 -8.662 1.275 0.58 0.00 C ATOM 2279 CG1 VAL A 145 13.007 -9.888 0.431 0.27 0.00 C ATOM 2280 CG2 VAL A 145 12.902 -7.393 0.551 0.32 0.00 C ATOM 0 H VAL A 145 14.048 -7.323 3.276 0.81 0.00 H new ATOM 0 HA VAL A 145 11.576 -8.525 2.530 0.22 0.00 H new ATOM 0 HB VAL A 145 14.403 -8.635 1.433 0.58 0.00 H new ATOM 0 HG11 VAL A 145 13.505 -9.804 -0.535 0.27 0.00 H new ATOM 0 HG12 VAL A 145 13.359 -10.784 0.943 0.27 0.00 H new ATOM 0 HG13 VAL A 145 11.930 -9.956 0.280 0.27 0.00 H new ATOM 0 HG21 VAL A 145 13.394 -7.347 -0.421 0.32 0.00 H new ATOM 0 HG22 VAL A 145 11.821 -7.397 0.411 0.32 0.00 H new ATOM 0 HG23 VAL A 145 13.188 -6.524 1.143 0.32 0.00 H new ATOM 2290 N GLU A 146 13.972 -10.464 3.742 0.18 0.00 N ATOM 2291 CA GLU A 146 14.236 -11.783 4.309 0.23 0.00 C ATOM 2292 C GLU A 146 13.334 -12.064 5.509 0.32 0.00 C ATOM 2293 O GLU A 146 12.927 -13.203 5.735 0.20 0.00 O ATOM 2294 CB GLU A 146 15.704 -11.907 4.723 0.17 0.00 C ATOM 2295 CG GLU A 146 16.661 -12.034 3.548 0.31 0.00 C ATOM 2296 CD GLU A 146 18.104 -12.182 3.987 0.07 0.00 C ATOM 2297 OE1 GLU A 146 18.521 -13.321 4.284 0.33 0.00 O ATOM 2298 OE2 GLU A 146 18.820 -11.157 4.034 0.74 0.00 O ATOM 0 H GLU A 146 14.762 -9.821 3.784 0.18 0.00 H new ATOM 0 HA GLU A 146 14.019 -12.521 3.537 0.23 0.00 H new ATOM 0 HB2 GLU A 146 15.981 -11.034 5.313 0.17 0.00 H new ATOM 0 HB3 GLU A 146 15.818 -12.777 5.369 0.17 0.00 H new ATOM 0 HG2 GLU A 146 16.378 -12.897 2.945 0.31 0.00 H new ATOM 0 HG3 GLU A 146 16.567 -11.155 2.911 0.31 0.00 H new ATOM 2305 N GLN A 147 13.023 -11.022 6.276 0.31 0.00 N ATOM 2306 CA GLN A 147 12.174 -11.170 7.453 0.31 0.00 C ATOM 2307 C GLN A 147 10.754 -11.561 7.058 0.69 0.00 C ATOM 2308 O GLN A 147 10.159 -12.458 7.655 0.73 0.00 O ATOM 2309 CB GLN A 147 12.155 -9.872 8.263 0.20 0.00 C ATOM 2310 CG GLN A 147 13.506 -9.517 8.866 0.50 0.00 C ATOM 2311 CD GLN A 147 13.460 -8.271 9.729 0.61 0.00 C ATOM 2312 OE1 GLN A 147 14.217 -8.140 10.690 1.00 0.00 O ATOM 2313 NE2 GLN A 147 12.569 -7.343 9.390 1.00 0.00 N ATOM 0 H GLN A 147 13.345 -10.070 6.104 0.31 0.00 H new ATOM 0 HA GLN A 147 12.590 -11.967 8.070 0.31 0.00 H new ATOM 0 HB2 GLN A 147 11.827 -9.056 7.620 0.20 0.00 H new ATOM 0 HB3 GLN A 147 11.421 -9.962 9.063 0.20 0.00 H new ATOM 0 HG2 GLN A 147 13.862 -10.355 9.466 0.50 0.00 H new ATOM 0 HG3 GLN A 147 14.229 -9.370 8.063 0.50 0.00 H new ATOM 0 HE21 GLN A 147 11.960 -7.491 8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 147 12.495 -6.484 9.935 1.00 0.00 H new ATOM 2322 N SER A 148 10.216 -10.883 6.049 0.11 0.00 N ATOM 2323 CA SER A 148 8.868 -11.167 5.574 0.42 0.00 C ATOM 2324 C SER A 148 8.908 -12.129 4.392 0.20 0.00 C ATOM 2325 O SER A 148 7.916 -12.306 3.686 0.27 0.00 O ATOM 2326 CB SER A 148 8.162 -9.872 5.169 0.05 0.00 C ATOM 2327 OG SER A 148 8.104 -8.961 6.253 0.17 0.00 O ATOM 0 H SER A 148 10.693 -10.135 5.546 0.11 0.00 H new ATOM 0 HA SER A 148 8.311 -11.634 6.386 0.42 0.00 H new ATOM 0 HB2 SER A 148 8.689 -9.413 4.332 0.05 0.00 H new ATOM 0 HB3 SER A 148 7.153 -10.097 4.825 0.05 0.00 H new ATOM 0 HG SER A 148 7.953 -8.055 5.911 0.17 0.00 H new ATOM 2333 N TRP A 149 10.065 -12.752 4.188 1.00 0.00 N ATOM 2334 CA TRP A 149 10.246 -13.695 3.090 1.00 0.00 C ATOM 2335 C TRP A 149 9.517 -15.005 3.371 0.07 0.00 C ATOM 2336 O TRP A 149 8.624 -15.403 2.621 0.06 0.00 O ATOM 2337 CB TRP A 149 11.735 -13.961 2.865 0.11 0.00 C ATOM 2338 CG TRP A 149 12.046 -14.459 1.488 1.00 0.00 C ATOM 2339 CD1 TRP A 149 12.100 -13.720 0.341 0.94 0.00 C ATOM 2340 CD2 TRP A 149 12.348 -15.806 1.113 0.21 0.00 C ATOM 2341 NE1 TRP A 149 12.415 -14.527 -0.725 0.08 0.00 N ATOM 2342 CE2 TRP A 149 12.573 -15.813 -0.278 0.20 0.00 C ATOM 2343 CE3 TRP A 149 12.450 -17.009 1.817 1.00 0.00 C ATOM 2344 CZ2 TRP A 149 12.895 -16.975 -0.974 0.31 0.00 C ATOM 2345 CZ3 TRP A 149 12.768 -18.161 1.125 0.89 0.00 C ATOM 2346 CH2 TRP A 149 12.988 -18.136 -0.257 1.00 0.00 C ATOM 0 H TRP A 149 10.892 -12.620 4.770 1.00 0.00 H new ATOM 0 HA TRP A 149 9.822 -13.254 2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 149 12.293 -13.042 3.046 0.11 0.00 H new ATOM 0 HB3 TRP A 149 12.081 -14.693 3.595 0.11 0.00 H new ATOM 0 HD1 TRP A 149 11.921 -12.657 0.281 0.94 0.00 H new ATOM 0 HE1 TRP A 149 12.515 -14.219 -1.692 0.08 0.00 H new ATOM 0 HE3 TRP A 149 12.283 -17.037 2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 13.065 -16.960 -2.040 0.31 0.00 H new ATOM 0 HZ3 TRP A 149 12.848 -19.096 1.659 0.89 0.00 H new ATOM 0 HH2 TRP A 149 13.237 -19.054 -0.769 1.00 0.00 H new