USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1084 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 52 TYR OH : rot -56:sc= -1.16 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 1.02 K(o=-0.13,f=-4.6!) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.0841 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.34) USER MOD Single : A 13 HIS : no HD1:sc= 0.776 K(o=0.78,f=-3.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.588 USER MOD Single : A 26 GLN : amide:sc= -0.421 K(o=-0.42,f=-1) USER MOD Single : A 27 SER OG : rot 61:sc= 1.14 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 0.578 (180deg=0.00473) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=0.005) USER MOD Single : A 33 MET CE :methyl 177:sc= -2.95! (180deg=-3.08!) USER MOD Single : A 41 CYS SG : rot -10:sc= 0.117 USER MOD Single : A 42 SER OG : rot -41:sc= 0.57 USER MOD Single : A 46 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.3!) USER MOD Single : A 47 THR OG1 : rot -70:sc= 0.0486 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0482 USER MOD Single : A 59 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-6.4!) USER MOD Single : A 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0347) USER MOD Single : A 63 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 0:sc= -1.72! USER MOD Single : A 67 LYS NZ :NH3+ -147:sc= 0.0789 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0.272 K(o=0.27,f=-7.9!) USER MOD Single : A 89 GLN : amide:sc= -0.834 K(o=-0.83,f=-5.3!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0.337 K(o=0.34,f=-4.4!) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 103 GLN : amide:sc= 0.478 K(o=0.48,f=-4.8!) USER MOD Single : A 107 LYS NZ :NH3+ 171:sc= 1.21 (180deg=1.14) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 166:sc= -0.0479 (180deg=-0.321) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -0.863 X(o=-0.86,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.047 -12.519 -7.371 1.00 14.54 N ATOM 2 CA GLY A 1 -26.970 -12.817 -6.437 1.00 34.14 C ATOM 3 C GLY A 1 -25.700 -12.159 -6.875 1.00 61.04 C ATOM 4 O GLY A 1 -25.744 -11.087 -7.492 1.00 1.23 O ATOM 0 H1 GLY A 1 -28.909 -12.280 -6.841 1.00 14.54 H new ATOM 0 H2 GLY A 1 -27.774 -11.714 -7.970 1.00 14.54 H new ATOM 0 H3 GLY A 1 -28.228 -13.350 -7.969 1.00 14.54 H new ATOM 0 HA2 GLY A 1 -27.240 -12.472 -5.439 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -26.824 -13.895 -6.373 1.00 34.14 H new ATOM 10 N HIS A 2 -24.575 -12.811 -6.589 1.00 24.22 N ATOM 11 CA HIS A 2 -23.229 -12.351 -6.947 1.00 73.10 C ATOM 12 C HIS A 2 -22.832 -11.116 -6.148 1.00 2.12 C ATOM 13 O HIS A 2 -23.310 -10.013 -6.397 1.00 54.12 O ATOM 14 CB HIS A 2 -23.086 -12.104 -8.463 1.00 5.32 C ATOM 15 CG HIS A 2 -23.379 -13.309 -9.308 1.00 51.22 C ATOM 16 ND1 HIS A 2 -24.557 -13.475 -10.006 1.00 41.34 N ATOM 17 CD2 HIS A 2 -22.639 -14.406 -9.565 1.00 42.55 C ATOM 18 CE1 HIS A 2 -24.524 -14.618 -10.649 1.00 23.45 C ATOM 19 NE2 HIS A 2 -23.374 -15.203 -10.400 1.00 44.24 N ATOM 0 H HIS A 2 -24.571 -13.699 -6.088 1.00 24.22 H new ATOM 0 HA HIS A 2 -22.540 -13.154 -6.685 1.00 73.10 H new ATOM 0 HB2 HIS A 2 -23.758 -11.297 -8.754 1.00 5.32 H new ATOM 0 HB3 HIS A 2 -22.071 -11.765 -8.671 1.00 5.32 H new ATOM 0 HD2 HIS A 2 -21.651 -14.617 -9.183 1.00 42.55 H new ATOM 0 HE1 HIS A 2 -25.309 -15.012 -11.277 1.00 23.45 H new ATOM 0 HE2 HIS A 2 -23.077 -16.106 -10.770 1.00 44.24 H new ATOM 28 N HIS A 3 -21.986 -11.312 -5.168 1.00 52.11 N ATOM 29 CA HIS A 3 -21.521 -10.212 -4.345 1.00 34.13 C ATOM 30 C HIS A 3 -20.207 -9.646 -4.879 1.00 44.13 C ATOM 31 O HIS A 3 -19.121 -10.073 -4.478 1.00 11.05 O ATOM 32 CB HIS A 3 -21.414 -10.628 -2.849 1.00 43.53 C ATOM 33 CG HIS A 3 -20.921 -9.549 -1.896 1.00 73.20 C ATOM 34 ND1 HIS A 3 -21.749 -8.631 -1.293 1.00 1.11 N ATOM 35 CD2 HIS A 3 -19.676 -9.278 -1.427 1.00 62.31 C ATOM 36 CE1 HIS A 3 -21.041 -7.852 -0.500 1.00 31.31 C ATOM 37 NE2 HIS A 3 -19.786 -8.224 -0.565 1.00 74.05 N ATOM 0 H HIS A 3 -21.602 -12.223 -4.916 1.00 52.11 H new ATOM 0 HA HIS A 3 -22.262 -9.414 -4.399 1.00 34.13 H new ATOM 0 HB2 HIS A 3 -22.396 -10.962 -2.513 1.00 43.53 H new ATOM 0 HB3 HIS A 3 -20.744 -11.484 -2.776 1.00 43.53 H new ATOM 0 HD2 HIS A 3 -18.767 -9.799 -1.687 1.00 62.31 H new ATOM 0 HE1 HIS A 3 -21.429 -7.044 0.102 1.00 31.31 H new ATOM 0 HE2 HIS A 3 -19.015 -7.795 -0.054 1.00 74.05 H new ATOM 46 N HIS A 4 -20.327 -8.766 -5.846 1.00 43.31 N ATOM 47 CA HIS A 4 -19.208 -8.024 -6.420 1.00 72.30 C ATOM 48 C HIS A 4 -19.731 -6.684 -6.849 1.00 61.24 C ATOM 49 O HIS A 4 -20.937 -6.527 -7.050 1.00 14.31 O ATOM 50 CB HIS A 4 -18.606 -8.707 -7.677 1.00 32.25 C ATOM 51 CG HIS A 4 -18.005 -10.057 -7.480 1.00 30.21 C ATOM 52 ND1 HIS A 4 -18.565 -11.198 -7.988 1.00 33.22 N ATOM 53 CD2 HIS A 4 -16.864 -10.445 -6.866 1.00 13.15 C ATOM 54 CE1 HIS A 4 -17.809 -12.226 -7.701 1.00 22.21 C ATOM 55 NE2 HIS A 4 -16.766 -11.804 -7.020 1.00 55.20 N ATOM 0 H HIS A 4 -21.224 -8.534 -6.272 1.00 43.31 H new ATOM 0 HA HIS A 4 -18.425 -7.964 -5.664 1.00 72.30 H new ATOM 0 HB2 HIS A 4 -19.391 -8.790 -8.429 1.00 32.25 H new ATOM 0 HB3 HIS A 4 -17.840 -8.050 -8.088 1.00 32.25 H new ATOM 0 HD2 HIS A 4 -16.162 -9.805 -6.351 1.00 13.15 H new ATOM 0 HE1 HIS A 4 -18.008 -13.251 -7.977 1.00 22.21 H new ATOM 0 HE2 HIS A 4 -16.010 -12.390 -6.665 1.00 55.20 H new ATOM 64 N HIS A 5 -18.864 -5.725 -6.965 1.00 13.15 N ATOM 65 CA HIS A 5 -19.225 -4.426 -7.484 1.00 42.24 C ATOM 66 C HIS A 5 -18.075 -3.840 -8.232 1.00 44.21 C ATOM 67 O HIS A 5 -17.042 -3.530 -7.649 1.00 5.41 O ATOM 68 CB HIS A 5 -19.704 -3.431 -6.403 1.00 23.23 C ATOM 69 CG HIS A 5 -21.074 -3.677 -5.847 1.00 44.12 C ATOM 70 ND1 HIS A 5 -21.306 -4.063 -4.551 1.00 64.24 N ATOM 71 CD2 HIS A 5 -22.294 -3.527 -6.410 1.00 15.45 C ATOM 72 CE1 HIS A 5 -22.604 -4.142 -4.346 1.00 63.23 C ATOM 73 NE2 HIS A 5 -23.219 -3.823 -5.456 1.00 10.42 N ATOM 0 H HIS A 5 -17.882 -5.814 -6.704 1.00 13.15 H new ATOM 0 HA HIS A 5 -20.073 -4.590 -8.149 1.00 42.24 H new ATOM 0 HB2 HIS A 5 -18.990 -3.448 -5.579 1.00 23.23 H new ATOM 0 HB3 HIS A 5 -19.679 -2.426 -6.825 1.00 23.23 H new ATOM 0 HD2 HIS A 5 -22.497 -3.228 -7.428 1.00 15.45 H new ATOM 0 HE1 HIS A 5 -23.081 -4.423 -3.418 1.00 63.23 H new ATOM 0 HE2 HIS A 5 -24.230 -3.800 -5.586 1.00 10.42 H new ATOM 82 N HIS A 6 -18.228 -3.737 -9.510 1.00 24.43 N ATOM 83 CA HIS A 6 -17.247 -3.077 -10.338 1.00 14.45 C ATOM 84 C HIS A 6 -17.710 -1.658 -10.515 1.00 0.34 C ATOM 85 O HIS A 6 -18.905 -1.399 -10.359 1.00 43.54 O ATOM 86 CB HIS A 6 -17.062 -3.799 -11.687 1.00 11.42 C ATOM 87 CG HIS A 6 -16.506 -5.192 -11.547 1.00 43.03 C ATOM 88 ND1 HIS A 6 -15.158 -5.467 -11.491 1.00 51.04 N ATOM 89 CD2 HIS A 6 -17.129 -6.392 -11.436 1.00 74.43 C ATOM 90 CE1 HIS A 6 -14.979 -6.766 -11.353 1.00 74.12 C ATOM 91 NE2 HIS A 6 -16.154 -7.345 -11.315 1.00 45.51 N ATOM 0 H HIS A 6 -19.032 -4.104 -10.019 1.00 24.43 H new ATOM 0 HA HIS A 6 -16.266 -3.098 -9.864 1.00 14.45 H new ATOM 0 HB2 HIS A 6 -18.023 -3.849 -12.199 1.00 11.42 H new ATOM 0 HB3 HIS A 6 -16.395 -3.211 -12.317 1.00 11.42 H new ATOM 0 HD2 HIS A 6 -18.195 -6.563 -11.442 1.00 74.43 H new ATOM 0 HE1 HIS A 6 -14.025 -7.268 -11.283 1.00 74.12 H new ATOM 0 HE2 HIS A 6 -16.316 -8.347 -11.212 1.00 45.51 H new ATOM 100 N HIS A 7 -16.793 -0.731 -10.808 1.00 51.21 N ATOM 101 CA HIS A 7 -17.116 0.715 -10.870 1.00 4.43 C ATOM 102 C HIS A 7 -17.518 1.178 -9.446 1.00 73.52 C ATOM 103 O HIS A 7 -18.195 2.173 -9.246 1.00 53.53 O ATOM 104 CB HIS A 7 -18.236 0.997 -11.931 1.00 30.30 C ATOM 105 CG HIS A 7 -18.644 2.444 -12.056 1.00 14.34 C ATOM 106 ND1 HIS A 7 -19.890 2.903 -11.710 1.00 12.40 N ATOM 107 CD2 HIS A 7 -17.954 3.526 -12.478 1.00 5.42 C ATOM 108 CE1 HIS A 7 -19.952 4.203 -11.908 1.00 0.43 C ATOM 109 NE2 HIS A 7 -18.790 4.609 -12.374 1.00 71.02 N ATOM 0 H HIS A 7 -15.816 -0.948 -11.008 1.00 51.21 H new ATOM 0 HA HIS A 7 -16.247 1.286 -11.196 1.00 4.43 H new ATOM 0 HB2 HIS A 7 -17.891 0.647 -12.904 1.00 30.30 H new ATOM 0 HB3 HIS A 7 -19.116 0.408 -11.674 1.00 30.30 H new ATOM 0 HD2 HIS A 7 -16.934 3.537 -12.832 1.00 5.42 H new ATOM 0 HE1 HIS A 7 -20.811 4.830 -11.720 1.00 0.43 H new ATOM 0 HE2 HIS A 7 -18.550 5.570 -12.618 1.00 71.02 H new ATOM 118 N LEU A 8 -16.983 0.471 -8.465 1.00 4.10 N ATOM 119 CA LEU A 8 -17.310 0.677 -7.063 1.00 55.24 C ATOM 120 C LEU A 8 -16.457 1.798 -6.460 1.00 64.54 C ATOM 121 O LEU A 8 -16.491 2.014 -5.256 1.00 60.33 O ATOM 122 CB LEU A 8 -17.078 -0.644 -6.292 1.00 14.12 C ATOM 123 CG LEU A 8 -17.436 -0.665 -4.793 1.00 11.04 C ATOM 124 CD1 LEU A 8 -18.929 -0.449 -4.569 1.00 71.20 C ATOM 125 CD2 LEU A 8 -16.955 -1.953 -4.136 1.00 43.00 C ATOM 0 H LEU A 8 -16.301 -0.271 -8.621 1.00 4.10 H new ATOM 0 HA LEU A 8 -18.356 0.973 -6.982 1.00 55.24 H new ATOM 0 HB2 LEU A 8 -17.653 -1.427 -6.786 1.00 14.12 H new ATOM 0 HB3 LEU A 8 -16.026 -0.911 -6.390 1.00 14.12 H new ATOM 0 HG LEU A 8 -16.916 0.167 -4.317 1.00 11.04 H new ATOM 0 HD11 LEU A 8 -19.143 -0.470 -3.501 1.00 71.20 H new ATOM 0 HD12 LEU A 8 -19.222 0.517 -4.979 1.00 71.20 H new ATOM 0 HD13 LEU A 8 -19.490 -1.240 -5.067 1.00 71.20 H new ATOM 0 HD21 LEU A 8 -17.220 -1.943 -3.079 1.00 43.00 H new ATOM 0 HD22 LEU A 8 -17.428 -2.807 -4.621 1.00 43.00 H new ATOM 0 HD23 LEU A 8 -15.873 -2.031 -4.238 1.00 43.00 H new ATOM 137 N GLU A 9 -15.744 2.534 -7.315 1.00 32.04 N ATOM 138 CA GLU A 9 -14.816 3.597 -6.896 1.00 22.31 C ATOM 139 C GLU A 9 -13.603 2.972 -6.239 1.00 42.20 C ATOM 140 O GLU A 9 -13.618 2.647 -5.039 1.00 21.40 O ATOM 141 CB GLU A 9 -15.479 4.629 -5.962 1.00 50.34 C ATOM 142 CG GLU A 9 -16.652 5.363 -6.576 1.00 55.11 C ATOM 143 CD GLU A 9 -17.361 6.226 -5.573 1.00 51.10 C ATOM 144 OE1 GLU A 9 -16.969 7.397 -5.384 1.00 14.41 O ATOM 145 OE2 GLU A 9 -18.335 5.743 -4.948 1.00 72.43 O ATOM 0 H GLU A 9 -15.792 2.411 -8.326 1.00 32.04 H new ATOM 0 HA GLU A 9 -14.510 4.146 -7.786 1.00 22.31 H new ATOM 0 HB2 GLU A 9 -15.816 4.120 -5.059 1.00 50.34 H new ATOM 0 HB3 GLU A 9 -14.729 5.358 -5.656 1.00 50.34 H new ATOM 0 HG2 GLU A 9 -16.301 5.981 -7.402 1.00 55.11 H new ATOM 0 HG3 GLU A 9 -17.354 4.641 -6.994 1.00 55.11 H new ATOM 152 N LEU A 10 -12.583 2.756 -7.034 1.00 63.14 N ATOM 153 CA LEU A 10 -11.385 2.097 -6.580 1.00 52.21 C ATOM 154 C LEU A 10 -10.160 2.888 -6.994 1.00 42.22 C ATOM 155 O LEU A 10 -9.834 2.976 -8.181 1.00 72.44 O ATOM 156 CB LEU A 10 -11.309 0.670 -7.151 1.00 2.14 C ATOM 157 CG LEU A 10 -12.441 -0.299 -6.759 1.00 54.43 C ATOM 158 CD1 LEU A 10 -12.266 -1.633 -7.460 1.00 21.32 C ATOM 159 CD2 LEU A 10 -12.486 -0.505 -5.252 1.00 2.10 C ATOM 0 H LEU A 10 -12.561 3.033 -8.015 1.00 63.14 H new ATOM 0 HA LEU A 10 -11.414 2.038 -5.492 1.00 52.21 H new ATOM 0 HB2 LEU A 10 -11.284 0.741 -8.238 1.00 2.14 H new ATOM 0 HB3 LEU A 10 -10.362 0.230 -6.839 1.00 2.14 H new ATOM 0 HG LEU A 10 -13.385 0.145 -7.074 1.00 54.43 H new ATOM 0 HD11 LEU A 10 -13.074 -2.305 -7.171 1.00 21.32 H new ATOM 0 HD12 LEU A 10 -12.287 -1.482 -8.539 1.00 21.32 H new ATOM 0 HD13 LEU A 10 -11.310 -2.072 -7.174 1.00 21.32 H new ATOM 0 HD21 LEU A 10 -13.294 -1.193 -5.003 1.00 2.10 H new ATOM 0 HD22 LEU A 10 -11.537 -0.921 -4.913 1.00 2.10 H new ATOM 0 HD23 LEU A 10 -12.659 0.452 -4.759 1.00 2.10 H new ATOM 171 N GLU A 11 -9.506 3.465 -6.030 1.00 22.33 N ATOM 172 CA GLU A 11 -8.300 4.231 -6.254 1.00 2.44 C ATOM 173 C GLU A 11 -7.281 3.803 -5.244 1.00 51.12 C ATOM 174 O GLU A 11 -7.597 3.669 -4.075 1.00 12.51 O ATOM 175 CB GLU A 11 -8.542 5.732 -6.066 1.00 74.20 C ATOM 176 CG GLU A 11 -9.540 6.365 -7.008 1.00 42.01 C ATOM 177 CD GLU A 11 -9.744 7.828 -6.690 1.00 14.12 C ATOM 178 OE1 GLU A 11 -8.926 8.662 -7.121 1.00 20.52 O ATOM 179 OE2 GLU A 11 -10.712 8.169 -5.970 1.00 2.22 O ATOM 0 H GLU A 11 -9.792 3.421 -5.052 1.00 22.33 H new ATOM 0 HA GLU A 11 -7.966 4.055 -7.276 1.00 2.44 H new ATOM 0 HB2 GLU A 11 -8.880 5.900 -5.044 1.00 74.20 H new ATOM 0 HB3 GLU A 11 -7.589 6.250 -6.176 1.00 74.20 H new ATOM 0 HG2 GLU A 11 -9.191 6.259 -8.035 1.00 42.01 H new ATOM 0 HG3 GLU A 11 -10.492 5.839 -6.939 1.00 42.01 H new ATOM 186 N VAL A 12 -6.085 3.561 -5.658 1.00 44.41 N ATOM 187 CA VAL A 12 -5.073 3.237 -4.698 1.00 24.53 C ATOM 188 C VAL A 12 -3.937 4.165 -4.978 1.00 70.54 C ATOM 189 O VAL A 12 -3.402 4.164 -6.078 1.00 32.41 O ATOM 190 CB VAL A 12 -4.590 1.770 -4.817 1.00 3.23 C ATOM 191 CG1 VAL A 12 -3.932 1.300 -3.525 1.00 32.15 C ATOM 192 CG2 VAL A 12 -5.710 0.847 -5.212 1.00 54.11 C ATOM 0 H VAL A 12 -5.782 3.579 -6.632 1.00 44.41 H new ATOM 0 HA VAL A 12 -5.468 3.344 -3.688 1.00 24.53 H new ATOM 0 HB VAL A 12 -3.842 1.740 -5.609 1.00 3.23 H new ATOM 0 HG11 VAL A 12 -3.603 0.267 -3.639 1.00 32.15 H new ATOM 0 HG12 VAL A 12 -3.072 1.932 -3.304 1.00 32.15 H new ATOM 0 HG13 VAL A 12 -4.649 1.364 -2.707 1.00 32.15 H new ATOM 0 HG21 VAL A 12 -5.332 -0.173 -5.285 1.00 54.11 H new ATOM 0 HG22 VAL A 12 -6.498 0.889 -4.460 1.00 54.11 H new ATOM 0 HG23 VAL A 12 -6.112 1.155 -6.177 1.00 54.11 H new ATOM 202 N HIS A 13 -3.582 4.955 -4.019 1.00 70.30 N ATOM 203 CA HIS A 13 -2.576 5.977 -4.228 1.00 0.43 C ATOM 204 C HIS A 13 -1.844 6.230 -2.946 1.00 45.32 C ATOM 205 O HIS A 13 -2.399 6.031 -1.878 1.00 50.12 O ATOM 206 CB HIS A 13 -3.227 7.293 -4.752 1.00 62.22 C ATOM 207 CG HIS A 13 -4.177 7.990 -3.787 1.00 73.23 C ATOM 208 ND1 HIS A 13 -4.062 9.317 -3.460 1.00 53.33 N ATOM 209 CD2 HIS A 13 -5.276 7.544 -3.119 1.00 43.40 C ATOM 210 CE1 HIS A 13 -5.028 9.660 -2.643 1.00 60.31 C ATOM 211 NE2 HIS A 13 -5.779 8.608 -2.415 1.00 75.13 N ATOM 0 H HIS A 13 -3.967 4.922 -3.075 1.00 70.30 H new ATOM 0 HA HIS A 13 -1.869 5.628 -4.981 1.00 0.43 H new ATOM 0 HB2 HIS A 13 -2.432 7.990 -5.017 1.00 62.22 H new ATOM 0 HB3 HIS A 13 -3.771 7.067 -5.669 1.00 62.22 H new ATOM 0 HD2 HIS A 13 -5.676 6.541 -3.140 1.00 43.40 H new ATOM 0 HE1 HIS A 13 -5.181 10.645 -2.227 1.00 60.31 H new ATOM 0 HE2 HIS A 13 -6.602 8.586 -1.813 1.00 75.13 H new ATOM 220 N ILE A 14 -0.621 6.640 -3.050 1.00 14.15 N ATOM 221 CA ILE A 14 0.203 6.924 -1.898 1.00 44.21 C ATOM 222 C ILE A 14 0.310 8.447 -1.687 1.00 33.31 C ATOM 223 O ILE A 14 1.049 9.127 -2.408 1.00 54.44 O ATOM 224 CB ILE A 14 1.621 6.332 -2.099 1.00 73.03 C ATOM 225 CG1 ILE A 14 1.531 4.850 -2.468 1.00 42.30 C ATOM 226 CG2 ILE A 14 2.494 6.522 -0.864 1.00 53.21 C ATOM 227 CD1 ILE A 14 2.874 4.183 -2.611 1.00 53.43 C ATOM 0 H ILE A 14 -0.152 6.792 -3.943 1.00 14.15 H new ATOM 0 HA ILE A 14 -0.257 6.469 -1.021 1.00 44.21 H new ATOM 0 HB ILE A 14 2.092 6.874 -2.919 1.00 73.03 H new ATOM 0 HG12 ILE A 14 0.955 4.328 -1.704 1.00 42.30 H new ATOM 0 HG13 ILE A 14 0.983 4.750 -3.405 1.00 42.30 H new ATOM 0 HG21 ILE A 14 3.480 6.093 -1.046 1.00 53.21 H new ATOM 0 HG22 ILE A 14 2.595 7.586 -0.650 1.00 53.21 H new ATOM 0 HG23 ILE A 14 2.033 6.023 -0.012 1.00 53.21 H new ATOM 0 HD11 ILE A 14 2.733 3.134 -2.873 1.00 53.43 H new ATOM 0 HD12 ILE A 14 3.445 4.680 -3.395 1.00 53.43 H new ATOM 0 HD13 ILE A 14 3.416 4.251 -1.668 1.00 53.43 H new ATOM 239 N PRO A 15 -0.484 9.015 -0.741 1.00 51.43 N ATOM 240 CA PRO A 15 -0.456 10.455 -0.426 1.00 32.11 C ATOM 241 C PRO A 15 0.930 11.005 -0.026 1.00 54.24 C ATOM 242 O PRO A 15 1.231 12.171 -0.307 1.00 22.53 O ATOM 243 CB PRO A 15 -1.416 10.573 0.761 1.00 43.55 C ATOM 244 CG PRO A 15 -2.342 9.425 0.607 1.00 30.52 C ATOM 245 CD PRO A 15 -1.522 8.312 0.044 1.00 54.15 C ATOM 0 HA PRO A 15 -0.726 11.038 -1.306 1.00 32.11 H new ATOM 0 HB2 PRO A 15 -0.881 10.527 1.710 1.00 43.55 H new ATOM 0 HB3 PRO A 15 -1.953 11.521 0.744 1.00 43.55 H new ATOM 0 HG2 PRO A 15 -2.778 9.143 1.566 1.00 30.52 H new ATOM 0 HG3 PRO A 15 -3.169 9.676 -0.058 1.00 30.52 H new ATOM 0 HD2 PRO A 15 -1.084 7.698 0.831 1.00 54.15 H new ATOM 0 HD3 PRO A 15 -2.120 7.649 -0.582 1.00 54.15 H new ATOM 253 N SER A 16 1.776 10.182 0.605 1.00 64.45 N ATOM 254 CA SER A 16 3.100 10.645 1.040 1.00 34.15 C ATOM 255 C SER A 16 3.997 9.483 1.477 1.00 33.53 C ATOM 256 O SER A 16 3.521 8.344 1.653 1.00 2.31 O ATOM 257 CB SER A 16 2.951 11.642 2.193 1.00 75.13 C ATOM 258 OG SER A 16 2.263 11.051 3.288 1.00 33.02 O ATOM 0 H SER A 16 1.573 9.207 0.823 1.00 64.45 H new ATOM 0 HA SER A 16 3.575 11.131 0.188 1.00 34.15 H new ATOM 0 HB2 SER A 16 3.935 11.980 2.516 1.00 75.13 H new ATOM 0 HB3 SER A 16 2.408 12.523 1.850 1.00 75.13 H new ATOM 0 HG SER A 16 2.180 11.704 4.014 1.00 33.02 H new ATOM 264 N VAL A 17 5.288 9.770 1.655 1.00 72.22 N ATOM 265 CA VAL A 17 6.272 8.795 2.109 1.00 14.33 C ATOM 266 C VAL A 17 7.201 9.480 3.123 1.00 13.42 C ATOM 267 O VAL A 17 7.510 10.671 2.977 1.00 34.04 O ATOM 268 CB VAL A 17 7.149 8.259 0.932 1.00 41.35 C ATOM 269 CG1 VAL A 17 8.082 7.146 1.391 1.00 20.03 C ATOM 270 CG2 VAL A 17 6.312 7.806 -0.247 1.00 41.24 C ATOM 0 H VAL A 17 5.680 10.696 1.485 1.00 72.22 H new ATOM 0 HA VAL A 17 5.737 7.954 2.550 1.00 14.33 H new ATOM 0 HB VAL A 17 7.760 9.096 0.595 1.00 41.35 H new ATOM 0 HG11 VAL A 17 8.676 6.798 0.546 1.00 20.03 H new ATOM 0 HG12 VAL A 17 8.745 7.525 2.169 1.00 20.03 H new ATOM 0 HG13 VAL A 17 7.494 6.318 1.787 1.00 20.03 H new ATOM 0 HG21 VAL A 17 6.966 7.442 -1.039 1.00 41.24 H new ATOM 0 HG22 VAL A 17 5.643 7.005 0.068 1.00 41.24 H new ATOM 0 HG23 VAL A 17 5.724 8.645 -0.619 1.00 41.24 H new ATOM 280 N GLY A 18 7.632 8.752 4.130 1.00 71.54 N ATOM 281 CA GLY A 18 8.516 9.300 5.120 1.00 32.34 C ATOM 282 C GLY A 18 9.367 8.230 5.768 1.00 61.12 C ATOM 283 O GLY A 18 9.051 7.052 5.679 1.00 50.13 O ATOM 0 H GLY A 18 7.380 7.775 4.280 1.00 71.54 H new ATOM 0 HA2 GLY A 18 9.161 10.047 4.657 1.00 32.34 H new ATOM 0 HA3 GLY A 18 7.932 9.813 5.885 1.00 32.34 H new ATOM 287 N PRO A 19 10.470 8.583 6.391 1.00 3.23 N ATOM 288 CA PRO A 19 11.305 7.633 7.055 1.00 44.23 C ATOM 289 C PRO A 19 10.995 7.516 8.556 1.00 61.22 C ATOM 290 O PRO A 19 11.490 8.322 9.364 1.00 14.04 O ATOM 291 CB PRO A 19 12.713 8.201 6.838 1.00 31.42 C ATOM 292 CG PRO A 19 12.509 9.633 6.386 1.00 42.33 C ATOM 293 CD PRO A 19 11.033 9.917 6.481 1.00 24.44 C ATOM 0 HA PRO A 19 11.166 6.624 6.666 1.00 44.23 H new ATOM 0 HB2 PRO A 19 13.298 8.159 7.757 1.00 31.42 H new ATOM 0 HB3 PRO A 19 13.256 7.627 6.088 1.00 31.42 H new ATOM 0 HG2 PRO A 19 13.075 10.320 7.014 1.00 42.33 H new ATOM 0 HG3 PRO A 19 12.863 9.769 5.364 1.00 42.33 H new ATOM 0 HD2 PRO A 19 10.770 10.410 7.417 1.00 24.44 H new ATOM 0 HD3 PRO A 19 10.688 10.562 5.673 1.00 24.44 H new ATOM 301 N GLU A 20 10.139 6.547 8.929 1.00 62.33 N ATOM 302 CA GLU A 20 9.799 6.334 10.341 1.00 24.25 C ATOM 303 C GLU A 20 9.097 4.993 10.589 1.00 44.23 C ATOM 304 O GLU A 20 8.231 4.879 11.461 1.00 4.14 O ATOM 305 CB GLU A 20 8.988 7.503 10.964 1.00 64.11 C ATOM 306 CG GLU A 20 7.580 7.815 10.409 1.00 23.00 C ATOM 307 CD GLU A 20 7.542 8.464 9.049 1.00 1.14 C ATOM 308 OE1 GLU A 20 8.084 9.588 8.896 1.00 34.24 O ATOM 309 OE2 GLU A 20 6.896 7.922 8.149 1.00 73.12 O ATOM 0 H GLU A 20 9.678 5.909 8.280 1.00 62.33 H new ATOM 0 HA GLU A 20 10.760 6.304 10.854 1.00 24.25 H new ATOM 0 HB2 GLU A 20 8.884 7.301 12.030 1.00 64.11 H new ATOM 0 HB3 GLU A 20 9.588 8.408 10.868 1.00 64.11 H new ATOM 0 HG2 GLU A 20 7.013 6.885 10.363 1.00 23.00 H new ATOM 0 HG3 GLU A 20 7.067 8.466 11.116 1.00 23.00 H new ATOM 316 N ALA A 21 9.513 3.974 9.877 1.00 51.14 N ATOM 317 CA ALA A 21 8.953 2.644 10.065 1.00 62.04 C ATOM 318 C ALA A 21 9.562 2.012 11.303 1.00 73.32 C ATOM 319 O ALA A 21 10.620 2.456 11.785 1.00 14.41 O ATOM 320 CB ALA A 21 9.199 1.763 8.850 1.00 13.03 C ATOM 0 H ALA A 21 10.237 4.033 9.161 1.00 51.14 H new ATOM 0 HA ALA A 21 7.875 2.737 10.193 1.00 62.04 H new ATOM 0 HB1 ALA A 21 8.768 0.777 9.023 1.00 13.03 H new ATOM 0 HB2 ALA A 21 8.734 2.214 7.973 1.00 13.03 H new ATOM 0 HB3 ALA A 21 10.272 1.666 8.682 1.00 13.03 H new ATOM 326 N GLU A 22 8.920 1.012 11.825 1.00 73.32 N ATOM 327 CA GLU A 22 9.389 0.339 13.011 1.00 54.24 C ATOM 328 C GLU A 22 10.424 -0.724 12.631 1.00 71.12 C ATOM 329 O GLU A 22 10.644 -0.996 11.435 1.00 73.13 O ATOM 330 CB GLU A 22 8.222 -0.307 13.822 1.00 21.31 C ATOM 331 CG GLU A 22 7.470 -1.475 13.137 1.00 42.41 C ATOM 332 CD GLU A 22 6.625 -1.084 11.935 1.00 35.55 C ATOM 333 OE1 GLU A 22 7.187 -0.733 10.888 1.00 1.35 O ATOM 334 OE2 GLU A 22 5.387 -1.193 12.009 1.00 33.53 O ATOM 0 H GLU A 22 8.053 0.634 11.444 1.00 73.32 H new ATOM 0 HA GLU A 22 9.852 1.087 13.654 1.00 54.24 H new ATOM 0 HB2 GLU A 22 8.623 -0.668 14.769 1.00 21.31 H new ATOM 0 HB3 GLU A 22 7.498 0.473 14.059 1.00 21.31 H new ATOM 0 HG2 GLU A 22 8.200 -2.220 12.821 1.00 42.41 H new ATOM 0 HG3 GLU A 22 6.825 -1.953 13.874 1.00 42.41 H new ATOM 341 N GLY A 23 11.070 -1.285 13.626 1.00 61.02 N ATOM 342 CA GLY A 23 12.014 -2.354 13.411 1.00 72.42 C ATOM 343 C GLY A 23 11.417 -3.655 13.892 1.00 52.05 C ATOM 344 O GLY A 23 11.557 -3.995 15.068 1.00 64.15 O ATOM 0 H GLY A 23 10.956 -1.014 14.603 1.00 61.02 H new ATOM 0 HA2 GLY A 23 12.264 -2.425 12.353 1.00 72.42 H new ATOM 0 HA3 GLY A 23 12.942 -2.148 13.945 1.00 72.42 H new ATOM 348 N PRO A 24 10.710 -4.395 13.012 1.00 71.13 N ATOM 349 CA PRO A 24 9.983 -5.619 13.404 1.00 60.41 C ATOM 350 C PRO A 24 10.887 -6.779 13.862 1.00 54.31 C ATOM 351 O PRO A 24 10.870 -7.175 15.037 1.00 23.11 O ATOM 352 CB PRO A 24 9.216 -5.998 12.126 1.00 51.42 C ATOM 353 CG PRO A 24 10.006 -5.384 11.015 1.00 10.34 C ATOM 354 CD PRO A 24 10.544 -4.097 11.561 1.00 65.22 C ATOM 0 HA PRO A 24 9.352 -5.433 14.273 1.00 60.41 H new ATOM 0 HB2 PRO A 24 9.146 -7.080 12.012 1.00 51.42 H new ATOM 0 HB3 PRO A 24 8.196 -5.613 12.147 1.00 51.42 H new ATOM 0 HG2 PRO A 24 10.814 -6.043 10.699 1.00 10.34 H new ATOM 0 HG3 PRO A 24 9.379 -5.207 10.141 1.00 10.34 H new ATOM 0 HD2 PRO A 24 11.490 -3.824 11.094 1.00 65.22 H new ATOM 0 HD3 PRO A 24 9.856 -3.268 11.395 1.00 65.22 H new ATOM 362 N ARG A 25 11.672 -7.290 12.953 1.00 44.12 N ATOM 363 CA ARG A 25 12.533 -8.419 13.176 1.00 61.43 C ATOM 364 C ARG A 25 13.609 -8.337 12.115 1.00 50.30 C ATOM 365 O ARG A 25 13.516 -7.468 11.243 1.00 60.12 O ATOM 366 CB ARG A 25 11.704 -9.732 13.052 1.00 63.03 C ATOM 367 CG ARG A 25 12.474 -11.032 13.306 1.00 55.35 C ATOM 368 CD ARG A 25 11.558 -12.247 13.236 1.00 70.15 C ATOM 369 NE ARG A 25 10.519 -12.198 14.264 1.00 5.30 N ATOM 370 CZ ARG A 25 9.530 -13.086 14.417 1.00 53.41 C ATOM 371 NH1 ARG A 25 9.399 -14.119 13.583 1.00 40.10 N ATOM 372 NH2 ARG A 25 8.662 -12.927 15.405 1.00 11.22 N ATOM 0 H ARG A 25 11.732 -6.919 12.005 1.00 44.12 H new ATOM 0 HA ARG A 25 12.979 -8.416 14.170 1.00 61.43 H new ATOM 0 HB2 ARG A 25 10.872 -9.682 13.754 1.00 63.03 H new ATOM 0 HB3 ARG A 25 11.275 -9.775 12.051 1.00 63.03 H new ATOM 0 HG2 ARG A 25 13.271 -11.133 12.570 1.00 55.35 H new ATOM 0 HG3 ARG A 25 12.949 -10.989 14.286 1.00 55.35 H new ATOM 0 HD2 ARG A 25 11.094 -12.297 12.251 1.00 70.15 H new ATOM 0 HD3 ARG A 25 12.148 -13.156 13.357 1.00 70.15 H new ATOM 0 HE ARG A 25 10.551 -11.419 14.922 1.00 5.30 H new ATOM 0 HH11 ARG A 25 10.059 -14.241 12.815 1.00 40.10 H new ATOM 0 HH12 ARG A 25 8.639 -14.787 13.714 1.00 40.10 H new ATOM 0 HH21 ARG A 25 8.752 -12.134 16.040 1.00 11.22 H new ATOM 0 HH22 ARG A 25 7.904 -13.598 15.531 1.00 11.22 H new ATOM 386 N GLN A 26 14.619 -9.193 12.189 1.00 53.44 N ATOM 387 CA GLN A 26 15.693 -9.233 11.207 1.00 21.14 C ATOM 388 C GLN A 26 15.054 -9.536 9.826 1.00 22.20 C ATOM 389 O GLN A 26 14.704 -10.672 9.524 1.00 15.21 O ATOM 390 CB GLN A 26 16.707 -10.322 11.651 1.00 33.30 C ATOM 391 CG GLN A 26 18.102 -10.331 10.994 1.00 45.04 C ATOM 392 CD GLN A 26 18.108 -10.634 9.529 1.00 65.41 C ATOM 393 OE1 GLN A 26 18.047 -9.745 8.704 1.00 72.02 O ATOM 394 NE2 GLN A 26 18.178 -11.893 9.196 1.00 60.12 N ATOM 0 H GLN A 26 14.716 -9.882 12.935 1.00 53.44 H new ATOM 0 HA GLN A 26 16.232 -8.289 11.131 1.00 21.14 H new ATOM 0 HB2 GLN A 26 16.847 -10.227 12.728 1.00 33.30 H new ATOM 0 HB3 GLN A 26 16.249 -11.295 11.473 1.00 33.30 H new ATOM 0 HG2 GLN A 26 18.567 -9.358 11.150 1.00 45.04 H new ATOM 0 HG3 GLN A 26 18.723 -11.067 11.505 1.00 45.04 H new ATOM 0 HE21 GLN A 26 18.228 -12.610 9.920 1.00 60.12 H new ATOM 0 HE22 GLN A 26 18.183 -12.161 8.212 1.00 60.12 H new ATOM 403 N SER A 27 14.870 -8.491 9.054 1.00 24.10 N ATOM 404 CA SER A 27 14.174 -8.519 7.776 1.00 60.23 C ATOM 405 C SER A 27 15.205 -8.615 6.620 1.00 55.24 C ATOM 406 O SER A 27 16.388 -8.701 6.896 1.00 62.20 O ATOM 407 CB SER A 27 13.339 -7.221 7.687 1.00 41.31 C ATOM 408 OG SER A 27 12.432 -7.118 8.778 1.00 65.13 O ATOM 0 H SER A 27 15.211 -7.562 9.302 1.00 24.10 H new ATOM 0 HA SER A 27 13.519 -9.386 7.694 1.00 60.23 H new ATOM 0 HB2 SER A 27 14.004 -6.357 7.680 1.00 41.31 H new ATOM 0 HB3 SER A 27 12.786 -7.205 6.748 1.00 41.31 H new ATOM 0 HG SER A 27 12.934 -7.100 9.620 1.00 65.13 H new ATOM 414 N PRO A 28 14.777 -8.628 5.296 1.00 50.12 N ATOM 415 CA PRO A 28 15.714 -8.656 4.115 1.00 63.22 C ATOM 416 C PRO A 28 16.776 -7.519 4.106 1.00 40.13 C ATOM 417 O PRO A 28 17.570 -7.405 3.164 1.00 63.41 O ATOM 418 CB PRO A 28 14.773 -8.507 2.915 1.00 43.25 C ATOM 419 CG PRO A 28 13.485 -9.072 3.388 1.00 24.51 C ATOM 420 CD PRO A 28 13.363 -8.663 4.828 1.00 41.40 C ATOM 0 HA PRO A 28 16.310 -9.569 4.121 1.00 63.22 H new ATOM 0 HB2 PRO A 28 14.665 -7.463 2.621 1.00 43.25 H new ATOM 0 HB3 PRO A 28 15.149 -9.046 2.045 1.00 43.25 H new ATOM 0 HG2 PRO A 28 12.651 -8.689 2.801 1.00 24.51 H new ATOM 0 HG3 PRO A 28 13.474 -10.157 3.287 1.00 24.51 H new ATOM 0 HD2 PRO A 28 12.881 -7.691 4.930 1.00 41.40 H new ATOM 0 HD3 PRO A 28 12.768 -9.375 5.399 1.00 41.40 H new ATOM 428 N GLU A 29 16.742 -6.686 5.136 1.00 71.45 N ATOM 429 CA GLU A 29 17.662 -5.599 5.359 1.00 33.23 C ATOM 430 C GLU A 29 17.401 -4.464 4.417 1.00 22.25 C ATOM 431 O GLU A 29 18.041 -4.320 3.366 1.00 42.42 O ATOM 432 CB GLU A 29 19.134 -6.060 5.374 1.00 3.13 C ATOM 433 CG GLU A 29 19.400 -7.115 6.440 1.00 71.34 C ATOM 434 CD GLU A 29 20.797 -7.664 6.421 1.00 12.43 C ATOM 435 OE1 GLU A 29 21.093 -8.510 5.558 1.00 4.15 O ATOM 436 OE2 GLU A 29 21.620 -7.276 7.275 1.00 54.54 O ATOM 0 H GLU A 29 16.036 -6.760 5.869 1.00 71.45 H new ATOM 0 HA GLU A 29 17.478 -5.216 6.363 1.00 33.23 H new ATOM 0 HB2 GLU A 29 19.396 -6.462 4.395 1.00 3.13 H new ATOM 0 HB3 GLU A 29 19.780 -5.200 5.549 1.00 3.13 H new ATOM 0 HG2 GLU A 29 19.204 -6.683 7.421 1.00 71.34 H new ATOM 0 HG3 GLU A 29 18.696 -7.936 6.307 1.00 71.34 H new ATOM 443 N LYS A 30 16.403 -3.703 4.763 1.00 53.32 N ATOM 444 CA LYS A 30 16.012 -2.555 4.014 1.00 55.40 C ATOM 445 C LYS A 30 15.940 -1.388 4.952 1.00 20.12 C ATOM 446 O LYS A 30 16.304 -1.504 6.133 1.00 60.52 O ATOM 447 CB LYS A 30 14.639 -2.761 3.340 1.00 10.25 C ATOM 448 CG LYS A 30 14.559 -3.943 2.361 1.00 22.12 C ATOM 449 CD LYS A 30 15.571 -3.849 1.203 1.00 62.02 C ATOM 450 CE LYS A 30 15.318 -2.662 0.275 1.00 5.15 C ATOM 451 NZ LYS A 30 16.329 -2.579 -0.815 1.00 22.14 N ATOM 0 H LYS A 30 15.830 -3.871 5.590 1.00 53.32 H new ATOM 0 HA LYS A 30 16.744 -2.378 3.226 1.00 55.40 H new ATOM 0 HB2 LYS A 30 13.889 -2.903 4.118 1.00 10.25 H new ATOM 0 HB3 LYS A 30 14.375 -1.849 2.805 1.00 10.25 H new ATOM 0 HG2 LYS A 30 14.729 -4.870 2.908 1.00 22.12 H new ATOM 0 HG3 LYS A 30 13.551 -3.996 1.949 1.00 22.12 H new ATOM 0 HD2 LYS A 30 16.577 -3.772 1.614 1.00 62.02 H new ATOM 0 HD3 LYS A 30 15.534 -4.770 0.622 1.00 62.02 H new ATOM 0 HE2 LYS A 30 14.322 -2.748 -0.160 1.00 5.15 H new ATOM 0 HE3 LYS A 30 15.334 -1.739 0.855 1.00 5.15 H new ATOM 0 HZ1 LYS A 30 16.613 -1.588 -0.951 1.00 22.14 H new ATOM 0 HZ2 LYS A 30 17.163 -3.146 -0.559 1.00 22.14 H new ATOM 0 HZ3 LYS A 30 15.919 -2.945 -1.698 1.00 22.14 H new ATOM 465 N SER A 31 15.484 -0.292 4.454 1.00 31.21 N ATOM 466 CA SER A 31 15.373 0.882 5.230 1.00 70.30 C ATOM 467 C SER A 31 14.082 0.881 6.036 1.00 52.13 C ATOM 468 O SER A 31 13.023 0.432 5.560 1.00 75.14 O ATOM 469 CB SER A 31 15.387 2.065 4.303 1.00 72.45 C ATOM 470 OG SER A 31 16.502 1.989 3.445 1.00 11.40 O ATOM 0 H SER A 31 15.176 -0.190 3.487 1.00 31.21 H new ATOM 0 HA SER A 31 16.208 0.932 5.929 1.00 70.30 H new ATOM 0 HB2 SER A 31 14.468 2.090 3.718 1.00 72.45 H new ATOM 0 HB3 SER A 31 15.423 2.989 4.880 1.00 72.45 H new ATOM 0 HG SER A 31 16.504 2.762 2.842 1.00 11.40 H new ATOM 476 N HIS A 32 14.172 1.393 7.239 1.00 51.10 N ATOM 477 CA HIS A 32 13.022 1.589 8.142 1.00 52.35 C ATOM 478 C HIS A 32 12.237 2.836 7.683 1.00 62.40 C ATOM 479 O HIS A 32 11.858 3.692 8.475 1.00 73.33 O ATOM 480 CB HIS A 32 13.529 1.791 9.584 1.00 74.21 C ATOM 481 CG HIS A 32 14.275 0.612 10.138 1.00 50.04 C ATOM 482 ND1 HIS A 32 15.642 0.581 10.273 1.00 35.54 N ATOM 483 CD2 HIS A 32 13.833 -0.583 10.599 1.00 4.11 C ATOM 484 CE1 HIS A 32 16.008 -0.567 10.782 1.00 23.23 C ATOM 485 NE2 HIS A 32 14.935 -1.294 10.990 1.00 4.04 N ATOM 0 H HIS A 32 15.058 1.697 7.643 1.00 51.10 H new ATOM 0 HA HIS A 32 12.372 0.715 8.114 1.00 52.35 H new ATOM 0 HB2 HIS A 32 14.180 2.665 9.611 1.00 74.21 H new ATOM 0 HB3 HIS A 32 12.679 2.007 10.231 1.00 74.21 H new ATOM 0 HD2 HIS A 32 12.806 -0.912 10.649 1.00 4.11 H new ATOM 0 HE1 HIS A 32 17.023 -0.867 10.995 1.00 23.23 H new ATOM 0 HE2 HIS A 32 14.924 -2.236 11.380 1.00 4.04 H new ATOM 494 N MET A 33 11.976 2.889 6.404 1.00 43.00 N ATOM 495 CA MET A 33 11.308 3.974 5.767 1.00 22.01 C ATOM 496 C MET A 33 9.947 3.486 5.278 1.00 15.03 C ATOM 497 O MET A 33 9.830 2.344 4.814 1.00 54.51 O ATOM 498 CB MET A 33 12.182 4.417 4.622 1.00 13.35 C ATOM 499 CG MET A 33 11.646 5.526 3.799 1.00 34.53 C ATOM 500 SD MET A 33 12.765 5.938 2.500 1.00 33.11 S ATOM 501 CE MET A 33 11.743 7.082 1.680 1.00 4.13 C ATOM 0 H MET A 33 12.237 2.144 5.758 1.00 43.00 H new ATOM 0 HA MET A 33 11.140 4.813 6.442 1.00 22.01 H new ATOM 0 HB2 MET A 33 13.149 4.721 5.023 1.00 13.35 H new ATOM 0 HB3 MET A 33 12.361 3.560 3.973 1.00 13.35 H new ATOM 0 HG2 MET A 33 10.682 5.240 3.378 1.00 34.53 H new ATOM 0 HG3 MET A 33 11.473 6.400 4.427 1.00 34.53 H new ATOM 0 HE1 MET A 33 12.284 7.516 0.839 1.00 4.13 H new ATOM 0 HE2 MET A 33 10.850 6.575 1.315 1.00 4.13 H new ATOM 0 HE3 MET A 33 11.454 7.873 2.372 1.00 4.13 H new ATOM 511 N VAL A 34 8.953 4.342 5.334 1.00 35.55 N ATOM 512 CA VAL A 34 7.586 3.928 5.137 1.00 21.50 C ATOM 513 C VAL A 34 6.787 4.865 4.216 1.00 75.32 C ATOM 514 O VAL A 34 6.964 6.072 4.225 1.00 33.05 O ATOM 515 CB VAL A 34 6.889 3.763 6.542 1.00 34.04 C ATOM 516 CG1 VAL A 34 7.172 4.954 7.421 1.00 33.34 C ATOM 517 CG2 VAL A 34 5.400 3.609 6.430 1.00 1.21 C ATOM 0 H VAL A 34 9.069 5.339 5.516 1.00 35.55 H new ATOM 0 HA VAL A 34 7.602 2.970 4.618 1.00 21.50 H new ATOM 0 HB VAL A 34 7.304 2.855 6.980 1.00 34.04 H new ATOM 0 HG11 VAL A 34 6.682 4.819 8.385 1.00 33.34 H new ATOM 0 HG12 VAL A 34 8.248 5.048 7.571 1.00 33.34 H new ATOM 0 HG13 VAL A 34 6.792 5.857 6.944 1.00 33.34 H new ATOM 0 HG21 VAL A 34 4.970 3.499 7.425 1.00 1.21 H new ATOM 0 HG22 VAL A 34 4.978 4.491 5.948 1.00 1.21 H new ATOM 0 HG23 VAL A 34 5.169 2.725 5.835 1.00 1.21 H new ATOM 527 N PHE A 35 5.934 4.282 3.415 1.00 55.32 N ATOM 528 CA PHE A 35 5.045 5.030 2.579 1.00 21.34 C ATOM 529 C PHE A 35 3.615 4.792 2.994 1.00 51.51 C ATOM 530 O PHE A 35 3.261 3.699 3.447 1.00 20.41 O ATOM 531 CB PHE A 35 5.280 4.799 1.069 1.00 54.34 C ATOM 532 CG PHE A 35 5.410 3.379 0.621 1.00 5.22 C ATOM 533 CD1 PHE A 35 4.369 2.495 0.740 1.00 51.51 C ATOM 534 CD2 PHE A 35 6.592 2.946 0.052 1.00 65.31 C ATOM 535 CE1 PHE A 35 4.495 1.200 0.313 1.00 4.12 C ATOM 536 CE2 PHE A 35 6.731 1.648 -0.381 1.00 13.21 C ATOM 537 CZ PHE A 35 5.681 0.772 -0.248 1.00 24.42 C ATOM 0 H PHE A 35 5.839 3.270 3.327 1.00 55.32 H new ATOM 0 HA PHE A 35 5.268 6.086 2.729 1.00 21.34 H new ATOM 0 HB2 PHE A 35 4.454 5.254 0.522 1.00 54.34 H new ATOM 0 HB3 PHE A 35 6.186 5.332 0.780 1.00 54.34 H new ATOM 0 HD1 PHE A 35 3.437 2.824 1.176 1.00 51.51 H new ATOM 0 HD2 PHE A 35 7.417 3.635 -0.054 1.00 65.31 H new ATOM 0 HE1 PHE A 35 3.667 0.514 0.415 1.00 4.12 H new ATOM 0 HE2 PHE A 35 7.660 1.319 -0.823 1.00 13.21 H new ATOM 0 HZ PHE A 35 5.784 -0.250 -0.582 1.00 24.42 H new ATOM 547 N ARG A 36 2.803 5.801 2.875 1.00 45.04 N ATOM 548 CA ARG A 36 1.444 5.709 3.325 1.00 52.40 C ATOM 549 C ARG A 36 0.553 5.477 2.139 1.00 24.34 C ATOM 550 O ARG A 36 0.296 6.391 1.380 1.00 32.11 O ATOM 551 CB ARG A 36 0.988 6.984 4.105 1.00 52.24 C ATOM 552 CG ARG A 36 1.897 7.427 5.281 1.00 2.04 C ATOM 553 CD ARG A 36 3.187 8.074 4.776 1.00 54.21 C ATOM 554 NE ARG A 36 4.128 8.457 5.831 1.00 72.24 N ATOM 555 CZ ARG A 36 4.715 9.662 5.917 1.00 51.32 C ATOM 556 NH1 ARG A 36 4.278 10.675 5.172 1.00 54.43 N ATOM 557 NH2 ARG A 36 5.710 9.857 6.765 1.00 12.32 N ATOM 0 H ARG A 36 3.059 6.701 2.469 1.00 45.04 H new ATOM 0 HA ARG A 36 1.372 4.873 4.021 1.00 52.40 H new ATOM 0 HB2 ARG A 36 0.915 7.810 3.398 1.00 52.24 H new ATOM 0 HB3 ARG A 36 -0.015 6.808 4.494 1.00 52.24 H new ATOM 0 HG2 ARG A 36 1.358 8.132 5.914 1.00 2.04 H new ATOM 0 HG3 ARG A 36 2.140 6.564 5.901 1.00 2.04 H new ATOM 0 HD2 ARG A 36 3.684 7.381 4.097 1.00 54.21 H new ATOM 0 HD3 ARG A 36 2.931 8.960 4.196 1.00 54.21 H new ATOM 0 HE ARG A 36 4.352 7.765 6.546 1.00 72.24 H new ATOM 0 HH11 ARG A 36 3.495 10.538 4.533 1.00 54.43 H new ATOM 0 HH12 ARG A 36 4.726 11.589 5.240 1.00 54.43 H new ATOM 0 HH21 ARG A 36 6.034 9.091 7.356 1.00 12.32 H new ATOM 0 HH22 ARG A 36 6.154 10.773 6.828 1.00 12.32 H new ATOM 571 N VAL A 37 0.122 4.255 1.956 1.00 54.44 N ATOM 572 CA VAL A 37 -0.725 3.916 0.836 1.00 60.41 C ATOM 573 C VAL A 37 -2.167 4.147 1.226 1.00 11.25 C ATOM 574 O VAL A 37 -2.549 3.897 2.351 1.00 22.02 O ATOM 575 CB VAL A 37 -0.536 2.428 0.365 1.00 4.03 C ATOM 576 CG1 VAL A 37 0.919 2.133 0.068 1.00 1.04 C ATOM 577 CG2 VAL A 37 -1.082 1.423 1.372 1.00 13.03 C ATOM 0 H VAL A 37 0.344 3.472 2.571 1.00 54.44 H new ATOM 0 HA VAL A 37 -0.443 4.554 -0.001 1.00 60.41 H new ATOM 0 HB VAL A 37 -1.115 2.317 -0.552 1.00 4.03 H new ATOM 0 HG11 VAL A 37 1.022 1.097 -0.256 1.00 1.04 H new ATOM 0 HG12 VAL A 37 1.271 2.797 -0.722 1.00 1.04 H new ATOM 0 HG13 VAL A 37 1.514 2.293 0.968 1.00 1.04 H new ATOM 0 HG21 VAL A 37 -0.926 0.411 0.998 1.00 13.03 H new ATOM 0 HG22 VAL A 37 -0.563 1.542 2.323 1.00 13.03 H new ATOM 0 HG23 VAL A 37 -2.148 1.596 1.517 1.00 13.03 H new ATOM 587 N GLU A 38 -2.945 4.651 0.350 1.00 34.21 N ATOM 588 CA GLU A 38 -4.318 4.859 0.653 1.00 51.54 C ATOM 589 C GLU A 38 -5.169 4.089 -0.324 1.00 34.10 C ATOM 590 O GLU A 38 -5.200 4.397 -1.530 1.00 3.21 O ATOM 591 CB GLU A 38 -4.657 6.346 0.647 1.00 45.03 C ATOM 592 CG GLU A 38 -6.076 6.651 1.069 1.00 32.24 C ATOM 593 CD GLU A 38 -6.373 8.117 1.038 1.00 62.44 C ATOM 594 OE1 GLU A 38 -6.142 8.802 2.050 1.00 22.03 O ATOM 595 OE2 GLU A 38 -6.831 8.611 -0.007 1.00 20.42 O ATOM 0 H GLU A 38 -2.661 4.931 -0.589 1.00 34.21 H new ATOM 0 HA GLU A 38 -4.526 4.490 1.657 1.00 51.54 H new ATOM 0 HB2 GLU A 38 -3.970 6.868 1.313 1.00 45.03 H new ATOM 0 HB3 GLU A 38 -4.493 6.742 -0.355 1.00 45.03 H new ATOM 0 HG2 GLU A 38 -6.769 6.128 0.411 1.00 32.24 H new ATOM 0 HG3 GLU A 38 -6.244 6.269 2.076 1.00 32.24 H new ATOM 602 N VAL A 39 -5.814 3.071 0.181 1.00 72.14 N ATOM 603 CA VAL A 39 -6.682 2.233 -0.614 1.00 72.45 C ATOM 604 C VAL A 39 -8.110 2.764 -0.495 1.00 22.21 C ATOM 605 O VAL A 39 -8.687 2.783 0.598 1.00 2.21 O ATOM 606 CB VAL A 39 -6.618 0.758 -0.135 1.00 2.01 C ATOM 607 CG1 VAL A 39 -7.521 -0.139 -0.974 1.00 2.24 C ATOM 608 CG2 VAL A 39 -5.182 0.237 -0.147 1.00 22.15 C ATOM 0 H VAL A 39 -5.754 2.795 1.161 1.00 72.14 H new ATOM 0 HA VAL A 39 -6.357 2.258 -1.654 1.00 72.45 H new ATOM 0 HB VAL A 39 -6.981 0.733 0.892 1.00 2.01 H new ATOM 0 HG11 VAL A 39 -7.452 -1.165 -0.612 1.00 2.24 H new ATOM 0 HG12 VAL A 39 -8.552 0.206 -0.894 1.00 2.24 H new ATOM 0 HG13 VAL A 39 -7.205 -0.100 -2.017 1.00 2.24 H new ATOM 0 HG21 VAL A 39 -5.168 -0.798 0.193 1.00 22.15 H new ATOM 0 HG22 VAL A 39 -4.784 0.292 -1.160 1.00 22.15 H new ATOM 0 HG23 VAL A 39 -4.569 0.846 0.517 1.00 22.15 H new ATOM 618 N LEU A 40 -8.630 3.242 -1.601 1.00 74.11 N ATOM 619 CA LEU A 40 -9.969 3.804 -1.698 1.00 63.22 C ATOM 620 C LEU A 40 -10.888 2.724 -2.252 1.00 15.34 C ATOM 621 O LEU A 40 -10.714 2.279 -3.392 1.00 45.13 O ATOM 622 CB LEU A 40 -9.902 5.032 -2.674 1.00 20.13 C ATOM 623 CG LEU A 40 -11.143 5.964 -2.912 1.00 21.33 C ATOM 624 CD1 LEU A 40 -12.359 5.249 -3.416 1.00 61.25 C ATOM 625 CD2 LEU A 40 -11.476 6.764 -1.704 1.00 40.12 C ATOM 0 H LEU A 40 -8.124 3.254 -2.487 1.00 74.11 H new ATOM 0 HA LEU A 40 -10.347 4.134 -0.730 1.00 63.22 H new ATOM 0 HB2 LEU A 40 -9.090 5.670 -2.324 1.00 20.13 H new ATOM 0 HB3 LEU A 40 -9.606 4.645 -3.649 1.00 20.13 H new ATOM 0 HG LEU A 40 -10.832 6.640 -3.708 1.00 21.33 H new ATOM 0 HD11 LEU A 40 -13.170 5.964 -3.554 1.00 61.25 H new ATOM 0 HD12 LEU A 40 -12.131 4.770 -4.368 1.00 61.25 H new ATOM 0 HD13 LEU A 40 -12.662 4.492 -2.693 1.00 61.25 H new ATOM 0 HD21 LEU A 40 -12.340 7.395 -1.912 1.00 40.12 H new ATOM 0 HD22 LEU A 40 -11.707 6.094 -0.876 1.00 40.12 H new ATOM 0 HD23 LEU A 40 -10.625 7.391 -1.437 1.00 40.12 H new ATOM 637 N CYS A 41 -11.829 2.297 -1.455 1.00 74.12 N ATOM 638 CA CYS A 41 -12.785 1.306 -1.871 1.00 61.13 C ATOM 639 C CYS A 41 -14.208 1.733 -1.502 1.00 61.53 C ATOM 640 O CYS A 41 -14.575 1.780 -0.325 1.00 75.22 O ATOM 641 CB CYS A 41 -12.418 -0.076 -1.294 1.00 72.21 C ATOM 642 SG CYS A 41 -12.189 -0.112 0.502 1.00 62.33 S ATOM 0 H CYS A 41 -11.955 2.626 -0.498 1.00 74.12 H new ATOM 0 HA CYS A 41 -12.753 1.220 -2.957 1.00 61.13 H new ATOM 0 HB2 CYS A 41 -13.202 -0.785 -1.561 1.00 72.21 H new ATOM 0 HB3 CYS A 41 -11.500 -0.421 -1.770 1.00 72.21 H new ATOM 0 HG CYS A 41 -12.173 1.104 0.962 1.00 62.33 H new ATOM 648 N SER A 42 -14.980 2.120 -2.524 1.00 61.04 N ATOM 649 CA SER A 42 -16.391 2.534 -2.379 1.00 61.34 C ATOM 650 C SER A 42 -16.518 3.890 -1.654 1.00 4.13 C ATOM 651 O SER A 42 -17.617 4.365 -1.361 1.00 64.24 O ATOM 652 CB SER A 42 -17.231 1.425 -1.680 1.00 61.22 C ATOM 653 OG SER A 42 -18.614 1.762 -1.616 1.00 70.14 O ATOM 0 H SER A 42 -14.645 2.157 -3.487 1.00 61.04 H new ATOM 0 HA SER A 42 -16.798 2.673 -3.381 1.00 61.34 H new ATOM 0 HB2 SER A 42 -17.112 0.486 -2.220 1.00 61.22 H new ATOM 0 HB3 SER A 42 -16.850 1.264 -0.671 1.00 61.22 H new ATOM 0 HG SER A 42 -18.709 2.709 -1.383 1.00 70.14 H new ATOM 659 N GLY A 43 -15.399 4.518 -1.411 1.00 4.00 N ATOM 660 CA GLY A 43 -15.391 5.766 -0.693 1.00 54.00 C ATOM 661 C GLY A 43 -14.689 5.601 0.617 1.00 54.41 C ATOM 662 O GLY A 43 -14.126 6.544 1.160 1.00 32.53 O ATOM 0 H GLY A 43 -14.479 4.186 -1.700 1.00 4.00 H new ATOM 0 HA2 GLY A 43 -14.894 6.533 -1.287 1.00 54.00 H new ATOM 0 HA3 GLY A 43 -16.413 6.105 -0.526 1.00 54.00 H new ATOM 666 N ARG A 44 -14.721 4.382 1.122 1.00 34.12 N ATOM 667 CA ARG A 44 -14.015 4.046 2.330 1.00 22.22 C ATOM 668 C ARG A 44 -12.576 3.827 2.020 1.00 44.45 C ATOM 669 O ARG A 44 -12.222 3.031 1.148 1.00 71.43 O ATOM 670 CB ARG A 44 -14.647 2.861 3.068 1.00 51.30 C ATOM 671 CG ARG A 44 -15.703 3.258 4.103 1.00 24.31 C ATOM 672 CD ARG A 44 -16.761 4.180 3.531 1.00 32.12 C ATOM 673 NE ARG A 44 -17.727 4.618 4.543 1.00 53.44 N ATOM 674 CZ ARG A 44 -17.781 5.859 5.053 1.00 10.23 C ATOM 675 NH1 ARG A 44 -16.818 6.737 4.788 1.00 54.04 N ATOM 676 NH2 ARG A 44 -18.763 6.196 5.873 1.00 73.13 N ATOM 0 H ARG A 44 -15.235 3.606 0.705 1.00 34.12 H new ATOM 0 HA ARG A 44 -14.093 4.885 3.022 1.00 22.22 H new ATOM 0 HB2 ARG A 44 -15.104 2.194 2.337 1.00 51.30 H new ATOM 0 HB3 ARG A 44 -13.860 2.296 3.567 1.00 51.30 H new ATOM 0 HG2 ARG A 44 -16.181 2.359 4.492 1.00 24.31 H new ATOM 0 HG3 ARG A 44 -15.215 3.749 4.945 1.00 24.31 H new ATOM 0 HD2 ARG A 44 -16.279 5.053 3.091 1.00 32.12 H new ATOM 0 HD3 ARG A 44 -17.289 3.668 2.726 1.00 32.12 H new ATOM 0 HE ARG A 44 -18.403 3.934 4.882 1.00 53.44 H new ATOM 0 HH11 ARG A 44 -16.033 6.469 4.194 1.00 54.04 H new ATOM 0 HH12 ARG A 44 -16.865 7.678 5.178 1.00 54.04 H new ATOM 0 HH21 ARG A 44 -19.480 5.513 6.118 1.00 73.13 H new ATOM 0 HH22 ARG A 44 -18.803 7.139 6.260 1.00 73.13 H new ATOM 690 N ARG A 45 -11.762 4.524 2.712 1.00 62.22 N ATOM 691 CA ARG A 45 -10.369 4.565 2.425 1.00 4.03 C ATOM 692 C ARG A 45 -9.557 4.582 3.670 1.00 13.24 C ATOM 693 O ARG A 45 -9.896 5.254 4.648 1.00 32.21 O ATOM 694 CB ARG A 45 -10.089 5.786 1.566 1.00 45.11 C ATOM 695 CG ARG A 45 -10.659 7.069 2.140 1.00 22.52 C ATOM 696 CD ARG A 45 -10.587 8.180 1.145 1.00 43.54 C ATOM 697 NE ARG A 45 -11.234 9.385 1.628 1.00 4.54 N ATOM 698 CZ ARG A 45 -10.973 10.614 1.210 1.00 52.13 C ATOM 699 NH1 ARG A 45 -9.923 10.856 0.423 1.00 71.21 N ATOM 700 NH2 ARG A 45 -11.745 11.605 1.608 1.00 65.42 N ATOM 0 H ARG A 45 -12.042 5.095 3.510 1.00 62.22 H new ATOM 0 HA ARG A 45 -10.084 3.664 1.882 1.00 4.03 H new ATOM 0 HB2 ARG A 45 -9.011 5.897 1.446 1.00 45.11 H new ATOM 0 HB3 ARG A 45 -10.505 5.625 0.572 1.00 45.11 H new ATOM 0 HG2 ARG A 45 -11.695 6.909 2.437 1.00 22.52 H new ATOM 0 HG3 ARG A 45 -10.108 7.345 3.039 1.00 22.52 H new ATOM 0 HD2 ARG A 45 -9.543 8.395 0.917 1.00 43.54 H new ATOM 0 HD3 ARG A 45 -11.058 7.864 0.214 1.00 43.54 H new ATOM 0 HE ARG A 45 -11.948 9.277 2.348 1.00 4.54 H new ATOM 0 HH11 ARG A 45 -9.312 10.090 0.138 1.00 71.21 H new ATOM 0 HH12 ARG A 45 -9.731 11.807 0.107 1.00 71.21 H new ATOM 0 HH21 ARG A 45 -12.532 11.420 2.230 1.00 65.42 H new ATOM 0 HH22 ARG A 45 -11.556 12.557 1.294 1.00 65.42 H new ATOM 714 N HIS A 46 -8.498 3.851 3.653 1.00 33.11 N ATOM 715 CA HIS A 46 -7.656 3.789 4.799 1.00 74.32 C ATOM 716 C HIS A 46 -6.247 4.111 4.380 1.00 24.50 C ATOM 717 O HIS A 46 -5.726 3.524 3.415 1.00 54.12 O ATOM 718 CB HIS A 46 -7.721 2.394 5.436 1.00 30.52 C ATOM 719 CG HIS A 46 -7.192 2.310 6.843 1.00 43.22 C ATOM 720 ND1 HIS A 46 -8.010 2.072 7.923 1.00 74.22 N ATOM 721 CD2 HIS A 46 -5.941 2.407 7.344 1.00 64.22 C ATOM 722 CE1 HIS A 46 -7.291 2.031 9.020 1.00 5.44 C ATOM 723 NE2 HIS A 46 -6.032 2.229 8.698 1.00 31.50 N ATOM 0 H HIS A 46 -8.193 3.287 2.860 1.00 33.11 H new ATOM 0 HA HIS A 46 -7.992 4.513 5.542 1.00 74.32 H new ATOM 0 HB2 HIS A 46 -8.758 2.058 5.433 1.00 30.52 H new ATOM 0 HB3 HIS A 46 -7.160 1.700 4.811 1.00 30.52 H new ATOM 0 HD1 HIS A 46 -9.021 1.947 7.878 1.00 74.22 H new ATOM 0 HD2 HIS A 46 -5.038 2.591 6.781 1.00 64.22 H new ATOM 0 HE1 HIS A 46 -7.669 1.863 10.018 1.00 5.44 H new ATOM 732 N THR A 47 -5.654 5.045 5.063 1.00 51.33 N ATOM 733 CA THR A 47 -4.300 5.415 4.821 1.00 73.22 C ATOM 734 C THR A 47 -3.407 4.462 5.628 1.00 34.21 C ATOM 735 O THR A 47 -3.345 4.535 6.864 1.00 64.43 O ATOM 736 CB THR A 47 -4.069 6.872 5.256 1.00 31.52 C ATOM 737 OG1 THR A 47 -5.104 7.704 4.675 1.00 23.41 O ATOM 738 CG2 THR A 47 -2.711 7.366 4.782 1.00 22.12 C ATOM 0 H THR A 47 -6.105 5.574 5.810 1.00 51.33 H new ATOM 0 HA THR A 47 -4.063 5.343 3.760 1.00 73.22 H new ATOM 0 HB THR A 47 -4.100 6.925 6.344 1.00 31.52 H new ATOM 0 HG1 THR A 47 -4.966 7.770 3.707 1.00 23.41 H new ATOM 0 HG21 THR A 47 -2.568 8.399 5.100 1.00 22.12 H new ATOM 0 HG22 THR A 47 -1.927 6.742 5.211 1.00 22.12 H new ATOM 0 HG23 THR A 47 -2.663 7.312 3.694 1.00 22.12 H new ATOM 746 N VAL A 48 -2.790 3.550 4.934 1.00 13.31 N ATOM 747 CA VAL A 48 -1.992 2.503 5.522 1.00 65.22 C ATOM 748 C VAL A 48 -0.498 2.769 5.321 1.00 31.10 C ATOM 749 O VAL A 48 0.014 2.667 4.204 1.00 61.44 O ATOM 750 CB VAL A 48 -2.335 1.136 4.872 1.00 14.04 C ATOM 751 CG1 VAL A 48 -1.497 0.029 5.465 1.00 53.50 C ATOM 752 CG2 VAL A 48 -3.816 0.814 5.009 1.00 0.45 C ATOM 0 H VAL A 48 -2.826 3.509 3.915 1.00 13.31 H new ATOM 0 HA VAL A 48 -2.216 2.482 6.588 1.00 65.22 H new ATOM 0 HB VAL A 48 -2.103 1.211 3.810 1.00 14.04 H new ATOM 0 HG11 VAL A 48 -1.757 -0.918 4.992 1.00 53.50 H new ATOM 0 HG12 VAL A 48 -0.441 0.241 5.295 1.00 53.50 H new ATOM 0 HG13 VAL A 48 -1.686 -0.037 6.536 1.00 53.50 H new ATOM 0 HG21 VAL A 48 -4.023 -0.150 4.544 1.00 0.45 H new ATOM 0 HG22 VAL A 48 -4.083 0.772 6.065 1.00 0.45 H new ATOM 0 HG23 VAL A 48 -4.404 1.589 4.517 1.00 0.45 H new ATOM 762 N PRO A 49 0.212 3.145 6.372 1.00 34.53 N ATOM 763 CA PRO A 49 1.647 3.313 6.315 1.00 64.20 C ATOM 764 C PRO A 49 2.361 1.969 6.413 1.00 73.43 C ATOM 765 O PRO A 49 2.250 1.279 7.425 1.00 55.41 O ATOM 766 CB PRO A 49 1.969 4.170 7.560 1.00 4.33 C ATOM 767 CG PRO A 49 0.649 4.500 8.180 1.00 34.42 C ATOM 768 CD PRO A 49 -0.315 3.466 7.695 1.00 71.31 C ATOM 0 HA PRO A 49 1.972 3.769 5.380 1.00 64.20 H new ATOM 0 HB2 PRO A 49 2.603 3.623 8.258 1.00 4.33 H new ATOM 0 HB3 PRO A 49 2.508 5.076 7.282 1.00 4.33 H new ATOM 0 HG2 PRO A 49 0.717 4.488 9.268 1.00 34.42 H new ATOM 0 HG3 PRO A 49 0.324 5.500 7.892 1.00 34.42 H new ATOM 0 HD2 PRO A 49 -0.337 2.593 8.347 1.00 71.31 H new ATOM 0 HD3 PRO A 49 -1.333 3.851 7.645 1.00 71.31 H new ATOM 776 N ARG A 50 3.059 1.590 5.349 1.00 44.20 N ATOM 777 CA ARG A 50 3.852 0.365 5.322 1.00 51.54 C ATOM 778 C ARG A 50 5.231 0.588 4.743 1.00 74.04 C ATOM 779 O ARG A 50 5.480 1.563 4.013 1.00 3.02 O ATOM 780 CB ARG A 50 3.159 -0.805 4.624 1.00 73.01 C ATOM 781 CG ARG A 50 2.084 -1.542 5.437 1.00 62.20 C ATOM 782 CD ARG A 50 2.670 -2.214 6.697 1.00 4.10 C ATOM 783 NE ARG A 50 3.016 -1.240 7.759 1.00 71.05 N ATOM 784 CZ ARG A 50 3.979 -1.388 8.689 1.00 63.11 C ATOM 785 NH1 ARG A 50 4.921 -2.303 8.540 1.00 5.03 N ATOM 786 NH2 ARG A 50 4.043 -0.543 9.717 1.00 5.11 N ATOM 0 H ARG A 50 3.092 2.123 4.480 1.00 44.20 H new ATOM 0 HA ARG A 50 3.960 0.083 6.369 1.00 51.54 H new ATOM 0 HB2 ARG A 50 2.700 -0.434 3.708 1.00 73.01 H new ATOM 0 HB3 ARG A 50 3.920 -1.527 4.329 1.00 73.01 H new ATOM 0 HG2 ARG A 50 1.306 -0.838 5.731 1.00 62.20 H new ATOM 0 HG3 ARG A 50 1.610 -2.298 4.810 1.00 62.20 H new ATOM 0 HD2 ARG A 50 1.949 -2.931 7.089 1.00 4.10 H new ATOM 0 HD3 ARG A 50 3.562 -2.777 6.422 1.00 4.10 H new ATOM 0 HE ARG A 50 2.474 -0.376 7.788 1.00 71.05 H new ATOM 0 HH11 ARG A 50 4.923 -2.904 7.716 1.00 5.03 H new ATOM 0 HH12 ARG A 50 5.647 -2.408 9.249 1.00 5.03 H new ATOM 0 HH21 ARG A 50 3.364 0.214 9.798 1.00 5.11 H new ATOM 0 HH22 ARG A 50 4.771 -0.653 10.423 1.00 5.11 H new ATOM 800 N ARG A 51 6.109 -0.312 5.056 1.00 23.25 N ATOM 801 CA ARG A 51 7.492 -0.227 4.692 1.00 33.02 C ATOM 802 C ARG A 51 7.678 -0.848 3.291 1.00 12.41 C ATOM 803 O ARG A 51 6.755 -1.447 2.731 1.00 34.53 O ATOM 804 CB ARG A 51 8.259 -1.018 5.741 1.00 3.15 C ATOM 805 CG ARG A 51 9.767 -0.878 5.797 1.00 0.43 C ATOM 806 CD ARG A 51 10.310 -1.911 6.778 1.00 74.25 C ATOM 807 NE ARG A 51 9.552 -1.896 8.045 1.00 71.12 N ATOM 808 CZ ARG A 51 8.833 -2.942 8.515 1.00 1.44 C ATOM 809 NH1 ARG A 51 8.834 -4.109 7.882 1.00 75.34 N ATOM 810 NH2 ARG A 51 8.104 -2.808 9.601 1.00 41.35 N ATOM 0 H ARG A 51 5.879 -1.152 5.587 1.00 23.25 H new ATOM 0 HA ARG A 51 7.849 0.802 4.654 1.00 33.02 H new ATOM 0 HB2 ARG A 51 7.864 -0.741 6.718 1.00 3.15 H new ATOM 0 HB3 ARG A 51 8.030 -2.073 5.593 1.00 3.15 H new ATOM 0 HG2 ARG A 51 10.199 -1.030 4.808 1.00 0.43 H new ATOM 0 HG3 ARG A 51 10.043 0.128 6.114 1.00 0.43 H new ATOM 0 HD2 ARG A 51 10.256 -2.904 6.331 1.00 74.25 H new ATOM 0 HD3 ARG A 51 11.362 -1.708 6.978 1.00 74.25 H new ATOM 0 HE ARG A 51 9.571 -1.042 8.602 1.00 71.12 H new ATOM 0 HH11 ARG A 51 9.382 -4.226 7.029 1.00 75.34 H new ATOM 0 HH12 ARG A 51 8.287 -4.888 8.248 1.00 75.34 H new ATOM 0 HH21 ARG A 51 8.079 -1.914 10.092 1.00 41.35 H new ATOM 0 HH22 ARG A 51 7.563 -3.598 9.953 1.00 41.35 H new ATOM 824 N TYR A 52 8.853 -0.674 2.721 1.00 21.11 N ATOM 825 CA TYR A 52 9.158 -1.221 1.402 1.00 51.15 C ATOM 826 C TYR A 52 9.290 -2.766 1.439 1.00 4.44 C ATOM 827 O TYR A 52 9.021 -3.442 0.442 1.00 40.32 O ATOM 828 CB TYR A 52 10.458 -0.570 0.856 1.00 5.33 C ATOM 829 CG TYR A 52 10.864 -0.996 -0.545 1.00 73.40 C ATOM 830 CD1 TYR A 52 11.590 -2.166 -0.762 1.00 12.14 C ATOM 831 CD2 TYR A 52 10.513 -0.230 -1.650 1.00 44.54 C ATOM 832 CE1 TYR A 52 11.940 -2.563 -2.027 1.00 62.53 C ATOM 833 CE2 TYR A 52 10.872 -0.622 -2.930 1.00 55.53 C ATOM 834 CZ TYR A 52 11.583 -1.796 -3.108 1.00 71.43 C ATOM 835 OH TYR A 52 11.932 -2.208 -4.367 1.00 23.55 O ATOM 0 H TYR A 52 9.621 -0.156 3.148 1.00 21.11 H new ATOM 0 HA TYR A 52 8.330 -0.986 0.734 1.00 51.15 H new ATOM 0 HB2 TYR A 52 10.333 0.513 0.866 1.00 5.33 H new ATOM 0 HB3 TYR A 52 11.275 -0.803 1.539 1.00 5.33 H new ATOM 0 HD1 TYR A 52 11.883 -2.772 0.083 1.00 12.14 H new ATOM 0 HD2 TYR A 52 9.953 0.683 -1.510 1.00 44.54 H new ATOM 0 HE1 TYR A 52 12.496 -3.478 -2.173 1.00 62.53 H new ATOM 0 HE2 TYR A 52 10.599 -0.016 -3.782 1.00 55.53 H new ATOM 0 HH TYR A 52 12.902 -2.344 -4.410 1.00 23.55 H new ATOM 845 N SER A 53 9.669 -3.294 2.600 1.00 2.32 N ATOM 846 CA SER A 53 9.990 -4.716 2.764 1.00 52.41 C ATOM 847 C SER A 53 8.796 -5.613 2.417 1.00 42.41 C ATOM 848 O SER A 53 8.913 -6.544 1.588 1.00 55.41 O ATOM 849 CB SER A 53 10.459 -4.962 4.221 1.00 22.41 C ATOM 850 OG SER A 53 10.862 -6.303 4.444 1.00 74.32 O ATOM 0 H SER A 53 9.763 -2.750 3.458 1.00 2.32 H new ATOM 0 HA SER A 53 10.790 -4.976 2.071 1.00 52.41 H new ATOM 0 HB2 SER A 53 11.290 -4.294 4.449 1.00 22.41 H new ATOM 0 HB3 SER A 53 9.650 -4.711 4.907 1.00 22.41 H new ATOM 0 HG SER A 53 11.150 -6.408 5.375 1.00 74.32 H new ATOM 856 N GLU A 54 7.659 -5.301 2.992 1.00 42.13 N ATOM 857 CA GLU A 54 6.463 -6.048 2.777 1.00 40.35 C ATOM 858 C GLU A 54 5.879 -5.812 1.412 1.00 74.04 C ATOM 859 O GLU A 54 5.548 -6.743 0.753 1.00 63.03 O ATOM 860 CB GLU A 54 5.396 -5.847 3.877 1.00 51.10 C ATOM 861 CG GLU A 54 5.042 -4.401 4.220 1.00 32.33 C ATOM 862 CD GLU A 54 6.019 -3.750 5.174 1.00 42.21 C ATOM 863 OE1 GLU A 54 7.201 -3.599 4.832 1.00 73.23 O ATOM 864 OE2 GLU A 54 5.605 -3.398 6.281 1.00 64.24 O ATOM 0 H GLU A 54 7.547 -4.511 3.628 1.00 42.13 H new ATOM 0 HA GLU A 54 6.772 -7.092 2.836 1.00 40.35 H new ATOM 0 HB2 GLU A 54 4.485 -6.358 3.567 1.00 51.10 H new ATOM 0 HB3 GLU A 54 5.744 -6.339 4.785 1.00 51.10 H new ATOM 0 HG2 GLU A 54 5.001 -3.817 3.300 1.00 32.33 H new ATOM 0 HG3 GLU A 54 4.045 -4.374 4.659 1.00 32.33 H new ATOM 871 N PHE A 55 5.781 -4.565 0.983 1.00 74.43 N ATOM 872 CA PHE A 55 5.212 -4.259 -0.337 1.00 55.23 C ATOM 873 C PHE A 55 5.973 -4.871 -1.487 1.00 73.32 C ATOM 874 O PHE A 55 5.377 -5.245 -2.513 1.00 22.32 O ATOM 875 CB PHE A 55 4.993 -2.772 -0.539 1.00 23.02 C ATOM 876 CG PHE A 55 3.656 -2.311 -0.059 1.00 43.52 C ATOM 877 CD1 PHE A 55 3.282 -2.441 1.260 1.00 1.43 C ATOM 878 CD2 PHE A 55 2.757 -1.773 -0.952 1.00 52.44 C ATOM 879 CE1 PHE A 55 2.037 -2.037 1.679 1.00 75.14 C ATOM 880 CE2 PHE A 55 1.513 -1.371 -0.546 1.00 54.54 C ATOM 881 CZ PHE A 55 1.150 -1.503 0.776 1.00 3.44 C ATOM 0 H PHE A 55 6.082 -3.749 1.516 1.00 74.43 H new ATOM 0 HA PHE A 55 4.233 -4.739 -0.341 1.00 55.23 H new ATOM 0 HB2 PHE A 55 5.772 -2.220 -0.013 1.00 23.02 H new ATOM 0 HB3 PHE A 55 5.095 -2.535 -1.598 1.00 23.02 H new ATOM 0 HD1 PHE A 55 3.974 -2.865 1.972 1.00 1.43 H new ATOM 0 HD2 PHE A 55 3.038 -1.666 -1.989 1.00 52.44 H new ATOM 0 HE1 PHE A 55 1.756 -2.139 2.717 1.00 75.14 H new ATOM 0 HE2 PHE A 55 0.819 -0.952 -1.260 1.00 54.54 H new ATOM 0 HZ PHE A 55 0.170 -1.187 1.102 1.00 3.44 H new ATOM 891 N HIS A 56 7.263 -5.002 -1.336 1.00 14.03 N ATOM 892 CA HIS A 56 8.054 -5.599 -2.372 1.00 24.24 C ATOM 893 C HIS A 56 7.802 -7.114 -2.395 1.00 41.14 C ATOM 894 O HIS A 56 7.617 -7.709 -3.468 1.00 25.45 O ATOM 895 CB HIS A 56 9.537 -5.278 -2.175 1.00 72.33 C ATOM 896 CG HIS A 56 10.405 -5.682 -3.323 1.00 3.52 C ATOM 897 ND1 HIS A 56 11.310 -6.713 -3.280 1.00 52.11 N ATOM 898 CD2 HIS A 56 10.511 -5.148 -4.555 1.00 12.43 C ATOM 899 CE1 HIS A 56 11.931 -6.791 -4.439 1.00 25.33 C ATOM 900 NE2 HIS A 56 11.459 -5.850 -5.228 1.00 33.54 N ATOM 0 H HIS A 56 7.784 -4.705 -0.511 1.00 14.03 H new ATOM 0 HA HIS A 56 7.762 -5.184 -3.336 1.00 24.24 H new ATOM 0 HB2 HIS A 56 9.647 -4.206 -2.009 1.00 72.33 H new ATOM 0 HB3 HIS A 56 9.890 -5.778 -1.273 1.00 72.33 H new ATOM 0 HD2 HIS A 56 9.944 -4.312 -4.938 1.00 12.43 H new ATOM 0 HE1 HIS A 56 12.698 -7.506 -4.698 1.00 25.33 H new ATOM 0 HE2 HIS A 56 11.756 -5.676 -6.188 1.00 33.54 H new ATOM 909 N ALA A 57 7.764 -7.714 -1.207 1.00 62.14 N ATOM 910 CA ALA A 57 7.511 -9.145 -1.058 1.00 63.52 C ATOM 911 C ALA A 57 6.066 -9.477 -1.407 1.00 74.23 C ATOM 912 O ALA A 57 5.802 -10.458 -2.048 1.00 21.33 O ATOM 913 CB ALA A 57 7.840 -9.604 0.356 1.00 71.42 C ATOM 0 H ALA A 57 7.907 -7.224 -0.324 1.00 62.14 H new ATOM 0 HA ALA A 57 8.160 -9.679 -1.752 1.00 63.52 H new ATOM 0 HB1 ALA A 57 7.645 -10.673 0.446 1.00 71.42 H new ATOM 0 HB2 ALA A 57 8.891 -9.408 0.567 1.00 71.42 H new ATOM 0 HB3 ALA A 57 7.220 -9.060 1.069 1.00 71.42 H new ATOM 919 N LEU A 58 5.156 -8.612 -0.995 1.00 71.43 N ATOM 920 CA LEU A 58 3.712 -8.739 -1.237 1.00 64.34 C ATOM 921 C LEU A 58 3.434 -8.854 -2.706 1.00 13.52 C ATOM 922 O LEU A 58 2.708 -9.744 -3.146 1.00 20.43 O ATOM 923 CB LEU A 58 3.002 -7.475 -0.698 1.00 21.00 C ATOM 924 CG LEU A 58 1.501 -7.303 -1.000 1.00 55.23 C ATOM 925 CD1 LEU A 58 0.662 -8.381 -0.353 1.00 63.33 C ATOM 926 CD2 LEU A 58 1.030 -5.922 -0.570 1.00 12.35 C ATOM 0 H LEU A 58 5.399 -7.774 -0.467 1.00 71.43 H new ATOM 0 HA LEU A 58 3.346 -9.633 -0.732 1.00 64.34 H new ATOM 0 HB2 LEU A 58 3.129 -7.457 0.384 1.00 21.00 H new ATOM 0 HB3 LEU A 58 3.524 -6.604 -1.095 1.00 21.00 H new ATOM 0 HG LEU A 58 1.371 -7.402 -2.078 1.00 55.23 H new ATOM 0 HD11 LEU A 58 -0.389 -8.218 -0.594 1.00 63.33 H new ATOM 0 HD12 LEU A 58 0.973 -9.357 -0.726 1.00 63.33 H new ATOM 0 HD13 LEU A 58 0.796 -8.346 0.728 1.00 63.33 H new ATOM 0 HD21 LEU A 58 -0.032 -5.815 -0.790 1.00 12.35 H new ATOM 0 HD22 LEU A 58 1.193 -5.799 0.501 1.00 12.35 H new ATOM 0 HD23 LEU A 58 1.591 -5.161 -1.112 1.00 12.35 H new ATOM 938 N HIS A 59 4.030 -7.968 -3.464 1.00 45.13 N ATOM 939 CA HIS A 59 3.803 -7.925 -4.873 1.00 2.11 C ATOM 940 C HIS A 59 4.361 -9.187 -5.552 1.00 23.34 C ATOM 941 O HIS A 59 3.699 -9.782 -6.403 1.00 24.12 O ATOM 942 CB HIS A 59 4.397 -6.640 -5.467 1.00 53.41 C ATOM 943 CG HIS A 59 4.038 -6.404 -6.898 1.00 33.24 C ATOM 944 ND1 HIS A 59 2.985 -5.599 -7.285 1.00 15.20 N ATOM 945 CD2 HIS A 59 4.600 -6.848 -8.035 1.00 52.34 C ATOM 946 CE1 HIS A 59 2.924 -5.569 -8.594 1.00 13.04 C ATOM 947 NE2 HIS A 59 3.891 -6.315 -9.069 1.00 14.21 N ATOM 0 H HIS A 59 4.681 -7.263 -3.117 1.00 45.13 H new ATOM 0 HA HIS A 59 2.729 -7.909 -5.060 1.00 2.11 H new ATOM 0 HB2 HIS A 59 4.060 -5.790 -4.874 1.00 53.41 H new ATOM 0 HB3 HIS A 59 5.483 -6.680 -5.378 1.00 53.41 H new ATOM 0 HD2 HIS A 59 5.454 -7.504 -8.114 1.00 52.34 H new ATOM 0 HE1 HIS A 59 2.200 -5.023 -9.181 1.00 13.04 H new ATOM 0 HE2 HIS A 59 4.083 -6.472 -10.058 1.00 14.21 H new ATOM 956 N LYS A 60 5.572 -9.592 -5.189 1.00 61.01 N ATOM 957 CA LYS A 60 6.126 -10.800 -5.780 1.00 14.14 C ATOM 958 C LYS A 60 5.473 -12.082 -5.249 1.00 32.41 C ATOM 959 O LYS A 60 5.452 -13.109 -5.936 1.00 34.13 O ATOM 960 CB LYS A 60 7.642 -10.885 -5.715 1.00 30.33 C ATOM 961 CG LYS A 60 8.254 -10.881 -4.330 1.00 62.01 C ATOM 962 CD LYS A 60 9.743 -11.176 -4.417 1.00 55.23 C ATOM 963 CE LYS A 60 10.007 -12.624 -4.867 1.00 3.52 C ATOM 964 NZ LYS A 60 9.673 -13.604 -3.818 1.00 61.32 N ATOM 0 H LYS A 60 6.171 -9.120 -4.512 1.00 61.01 H new ATOM 0 HA LYS A 60 5.872 -10.718 -6.837 1.00 14.14 H new ATOM 0 HB2 LYS A 60 7.956 -11.795 -6.225 1.00 30.33 H new ATOM 0 HB3 LYS A 60 8.056 -10.047 -6.275 1.00 30.33 H new ATOM 0 HG2 LYS A 60 8.094 -9.913 -3.856 1.00 62.01 H new ATOM 0 HG3 LYS A 60 7.763 -11.627 -3.705 1.00 62.01 H new ATOM 0 HD2 LYS A 60 10.211 -10.485 -5.118 1.00 55.23 H new ATOM 0 HD3 LYS A 60 10.206 -11.006 -3.445 1.00 55.23 H new ATOM 0 HE2 LYS A 60 9.421 -12.837 -5.761 1.00 3.52 H new ATOM 0 HE3 LYS A 60 11.056 -12.732 -5.141 1.00 3.52 H new ATOM 0 HZ1 LYS A 60 9.992 -14.549 -4.112 1.00 61.32 H new ATOM 0 HZ2 LYS A 60 10.148 -13.339 -2.931 1.00 61.32 H new ATOM 0 HZ3 LYS A 60 8.644 -13.616 -3.669 1.00 61.32 H new ATOM 978 N ARG A 61 4.962 -12.029 -4.034 1.00 42.55 N ATOM 979 CA ARG A 61 4.283 -13.162 -3.422 1.00 44.42 C ATOM 980 C ARG A 61 3.092 -13.542 -4.273 1.00 74.10 C ATOM 981 O ARG A 61 2.904 -14.711 -4.633 1.00 42.24 O ATOM 982 CB ARG A 61 3.838 -12.808 -1.989 1.00 35.53 C ATOM 983 CG ARG A 61 3.182 -13.942 -1.228 1.00 5.22 C ATOM 984 CD ARG A 61 2.804 -13.524 0.190 1.00 52.42 C ATOM 985 NE ARG A 61 2.197 -14.621 0.940 1.00 22.15 N ATOM 986 CZ ARG A 61 2.568 -15.036 2.149 1.00 30.23 C ATOM 987 NH1 ARG A 61 3.608 -14.489 2.759 1.00 32.03 N ATOM 988 NH2 ARG A 61 1.891 -16.010 2.744 1.00 14.41 N ATOM 0 H ARG A 61 5.004 -11.200 -3.441 1.00 42.55 H new ATOM 0 HA ARG A 61 4.966 -14.009 -3.362 1.00 44.42 H new ATOM 0 HB2 ARG A 61 4.708 -12.468 -1.427 1.00 35.53 H new ATOM 0 HB3 ARG A 61 3.142 -11.971 -2.036 1.00 35.53 H new ATOM 0 HG2 ARG A 61 2.290 -14.270 -1.761 1.00 5.22 H new ATOM 0 HG3 ARG A 61 3.861 -14.794 -1.188 1.00 5.22 H new ATOM 0 HD2 ARG A 61 3.693 -13.175 0.714 1.00 52.42 H new ATOM 0 HD3 ARG A 61 2.109 -12.685 0.148 1.00 52.42 H new ATOM 0 HE ARG A 61 1.420 -15.112 0.498 1.00 22.15 H new ATOM 0 HH11 ARG A 61 4.133 -13.743 2.302 1.00 32.03 H new ATOM 0 HH12 ARG A 61 3.885 -14.814 3.685 1.00 32.03 H new ATOM 0 HH21 ARG A 61 1.092 -16.436 2.275 1.00 14.41 H new ATOM 0 HH22 ARG A 61 2.170 -16.333 3.670 1.00 14.41 H new ATOM 1002 N ILE A 62 2.325 -12.550 -4.636 1.00 20.32 N ATOM 1003 CA ILE A 62 1.178 -12.764 -5.455 1.00 21.41 C ATOM 1004 C ILE A 62 1.497 -12.846 -6.938 1.00 63.14 C ATOM 1005 O ILE A 62 0.651 -13.274 -7.695 1.00 35.31 O ATOM 1006 CB ILE A 62 0.079 -11.726 -5.237 1.00 3.45 C ATOM 1007 CG1 ILE A 62 0.631 -10.309 -5.378 1.00 60.23 C ATOM 1008 CG2 ILE A 62 -0.624 -11.941 -3.907 1.00 22.10 C ATOM 1009 CD1 ILE A 62 -0.410 -9.245 -5.280 1.00 52.32 C ATOM 0 H ILE A 62 2.482 -11.578 -4.371 1.00 20.32 H new ATOM 0 HA ILE A 62 0.808 -13.737 -5.130 1.00 21.41 H new ATOM 0 HB ILE A 62 -0.673 -11.856 -6.015 1.00 3.45 H new ATOM 0 HG12 ILE A 62 1.381 -10.143 -4.605 1.00 60.23 H new ATOM 0 HG13 ILE A 62 1.138 -10.221 -6.339 1.00 60.23 H new ATOM 0 HG21 ILE A 62 -1.401 -11.187 -3.780 1.00 22.10 H new ATOM 0 HG22 ILE A 62 -1.075 -12.933 -3.890 1.00 22.10 H new ATOM 0 HG23 ILE A 62 0.099 -11.857 -3.096 1.00 22.10 H new ATOM 0 HD11 ILE A 62 0.058 -8.267 -5.390 1.00 52.32 H new ATOM 0 HD12 ILE A 62 -1.148 -9.384 -6.070 1.00 52.32 H new ATOM 0 HD13 ILE A 62 -0.902 -9.305 -4.309 1.00 52.32 H new ATOM 1021 N LYS A 63 2.705 -12.448 -7.379 1.00 23.31 N ATOM 1022 CA LYS A 63 2.992 -12.541 -8.826 1.00 21.22 C ATOM 1023 C LYS A 63 3.029 -13.991 -9.260 1.00 74.12 C ATOM 1024 O LYS A 63 2.624 -14.330 -10.368 1.00 4.11 O ATOM 1025 CB LYS A 63 4.256 -11.779 -9.291 1.00 35.41 C ATOM 1026 CG LYS A 63 5.594 -12.400 -8.906 1.00 23.24 C ATOM 1027 CD LYS A 63 6.774 -11.556 -9.401 1.00 45.55 C ATOM 1028 CE LYS A 63 6.808 -11.427 -10.930 1.00 4.11 C ATOM 1029 NZ LYS A 63 6.992 -12.728 -11.608 1.00 34.50 N ATOM 0 H LYS A 63 3.458 -12.080 -6.797 1.00 23.31 H new ATOM 0 HA LYS A 63 2.169 -12.029 -9.324 1.00 21.22 H new ATOM 0 HB2 LYS A 63 4.221 -11.686 -10.376 1.00 35.41 H new ATOM 0 HB3 LYS A 63 4.217 -10.769 -8.883 1.00 35.41 H new ATOM 0 HG2 LYS A 63 5.649 -12.503 -7.822 1.00 23.24 H new ATOM 0 HG3 LYS A 63 5.663 -13.404 -9.325 1.00 23.24 H new ATOM 0 HD2 LYS A 63 6.716 -10.562 -8.958 1.00 45.55 H new ATOM 0 HD3 LYS A 63 7.706 -12.005 -9.057 1.00 45.55 H new ATOM 0 HE2 LYS A 63 5.879 -10.971 -11.273 1.00 4.11 H new ATOM 0 HE3 LYS A 63 7.617 -10.755 -11.216 1.00 4.11 H new ATOM 0 HZ1 LYS A 63 7.110 -12.573 -12.630 1.00 34.50 H new ATOM 0 HZ2 LYS A 63 7.838 -13.200 -11.230 1.00 34.50 H new ATOM 0 HZ3 LYS A 63 6.158 -13.327 -11.442 1.00 34.50 H new ATOM 1043 N LYS A 64 3.510 -14.843 -8.376 1.00 3.44 N ATOM 1044 CA LYS A 64 3.484 -16.271 -8.620 1.00 20.21 C ATOM 1045 C LYS A 64 2.059 -16.832 -8.480 1.00 43.30 C ATOM 1046 O LYS A 64 1.739 -17.901 -9.008 1.00 24.21 O ATOM 1047 CB LYS A 64 4.377 -16.962 -7.622 1.00 14.42 C ATOM 1048 CG LYS A 64 5.823 -16.559 -7.716 1.00 33.22 C ATOM 1049 CD LYS A 64 6.582 -17.208 -6.617 1.00 55.44 C ATOM 1050 CE LYS A 64 8.039 -16.798 -6.603 1.00 24.43 C ATOM 1051 NZ LYS A 64 8.754 -17.383 -5.447 1.00 20.14 N ATOM 0 H LYS A 64 3.923 -14.571 -7.484 1.00 3.44 H new ATOM 0 HA LYS A 64 3.833 -16.450 -9.637 1.00 20.21 H new ATOM 0 HB2 LYS A 64 4.015 -16.748 -6.616 1.00 14.42 H new ATOM 0 HB3 LYS A 64 4.300 -18.040 -7.766 1.00 14.42 H new ATOM 0 HG2 LYS A 64 6.233 -16.854 -8.682 1.00 33.22 H new ATOM 0 HG3 LYS A 64 5.916 -15.475 -7.648 1.00 33.22 H new ATOM 0 HD2 LYS A 64 6.125 -16.950 -5.662 1.00 55.44 H new ATOM 0 HD3 LYS A 64 6.513 -18.291 -6.721 1.00 55.44 H new ATOM 0 HE2 LYS A 64 8.517 -17.118 -7.529 1.00 24.43 H new ATOM 0 HE3 LYS A 64 8.112 -15.711 -6.566 1.00 24.43 H new ATOM 0 HZ1 LYS A 64 9.750 -17.083 -5.467 1.00 20.14 H new ATOM 0 HZ2 LYS A 64 8.311 -17.057 -4.564 1.00 20.14 H new ATOM 0 HZ3 LYS A 64 8.704 -18.421 -5.497 1.00 20.14 H new ATOM 1065 N LEU A 65 1.206 -16.085 -7.809 1.00 3.54 N ATOM 1066 CA LEU A 65 -0.118 -16.551 -7.452 1.00 65.42 C ATOM 1067 C LEU A 65 -1.209 -16.085 -8.450 1.00 34.24 C ATOM 1068 O LEU A 65 -2.038 -16.896 -8.878 1.00 23.42 O ATOM 1069 CB LEU A 65 -0.412 -16.136 -5.973 1.00 51.45 C ATOM 1070 CG LEU A 65 -1.702 -16.645 -5.278 1.00 21.04 C ATOM 1071 CD1 LEU A 65 -1.600 -16.398 -3.784 1.00 73.32 C ATOM 1072 CD2 LEU A 65 -2.922 -15.918 -5.788 1.00 34.43 C ATOM 0 H LEU A 65 1.412 -15.136 -7.496 1.00 3.54 H new ATOM 0 HA LEU A 65 -0.146 -17.639 -7.520 1.00 65.42 H new ATOM 0 HB2 LEU A 65 0.435 -16.461 -5.368 1.00 51.45 H new ATOM 0 HB3 LEU A 65 -0.430 -15.047 -5.937 1.00 51.45 H new ATOM 0 HG LEU A 65 -1.801 -17.709 -5.495 1.00 21.04 H new ATOM 0 HD11 LEU A 65 -2.506 -16.755 -3.294 1.00 73.32 H new ATOM 0 HD12 LEU A 65 -0.737 -16.931 -3.385 1.00 73.32 H new ATOM 0 HD13 LEU A 65 -1.484 -15.330 -3.599 1.00 73.32 H new ATOM 0 HD21 LEU A 65 -3.810 -16.297 -5.282 1.00 34.43 H new ATOM 0 HD22 LEU A 65 -2.819 -14.851 -5.590 1.00 34.43 H new ATOM 0 HD23 LEU A 65 -3.020 -16.080 -6.862 1.00 34.43 H new ATOM 1084 N TYR A 66 -1.223 -14.805 -8.832 1.00 11.30 N ATOM 1085 CA TYR A 66 -2.268 -14.329 -9.732 1.00 44.53 C ATOM 1086 C TYR A 66 -1.712 -13.288 -10.728 1.00 44.25 C ATOM 1087 O TYR A 66 -0.491 -13.090 -10.796 1.00 53.33 O ATOM 1088 CB TYR A 66 -3.501 -13.795 -8.919 1.00 64.23 C ATOM 1089 CG TYR A 66 -3.468 -12.397 -8.339 1.00 73.23 C ATOM 1090 CD1 TYR A 66 -2.964 -12.154 -7.087 1.00 63.44 C ATOM 1091 CD2 TYR A 66 -4.019 -11.333 -9.036 1.00 3.11 C ATOM 1092 CE1 TYR A 66 -2.994 -10.889 -6.548 1.00 31.20 C ATOM 1093 CE2 TYR A 66 -4.063 -10.070 -8.501 1.00 63.43 C ATOM 1094 CZ TYR A 66 -3.548 -9.852 -7.258 1.00 54.53 C ATOM 1095 OH TYR A 66 -3.603 -8.602 -6.712 1.00 44.03 O ATOM 0 H TYR A 66 -0.544 -14.101 -8.541 1.00 11.30 H new ATOM 0 HA TYR A 66 -2.623 -15.169 -10.330 1.00 44.53 H new ATOM 0 HB2 TYR A 66 -4.372 -13.857 -9.571 1.00 64.23 H new ATOM 0 HB3 TYR A 66 -3.671 -14.486 -8.093 1.00 64.23 H new ATOM 0 HD1 TYR A 66 -2.538 -12.966 -6.517 1.00 63.44 H new ATOM 0 HD2 TYR A 66 -4.423 -11.502 -10.023 1.00 3.11 H new ATOM 0 HE1 TYR A 66 -2.582 -10.711 -5.566 1.00 31.20 H new ATOM 0 HE2 TYR A 66 -4.502 -9.256 -9.060 1.00 63.43 H new ATOM 0 HH TYR A 66 -3.208 -8.619 -5.815 1.00 44.03 H new ATOM 1105 N LYS A 67 -2.605 -12.677 -11.523 1.00 51.33 N ATOM 1106 CA LYS A 67 -2.237 -11.639 -12.514 1.00 72.40 C ATOM 1107 C LYS A 67 -1.611 -10.448 -11.832 1.00 23.42 C ATOM 1108 O LYS A 67 -2.287 -9.693 -11.132 1.00 4.10 O ATOM 1109 CB LYS A 67 -3.457 -11.187 -13.292 1.00 41.20 C ATOM 1110 CG LYS A 67 -4.140 -12.285 -14.076 1.00 72.12 C ATOM 1111 CD LYS A 67 -5.369 -11.766 -14.800 1.00 60.12 C ATOM 1112 CE LYS A 67 -6.421 -11.219 -13.836 1.00 4.14 C ATOM 1113 NZ LYS A 67 -7.623 -10.739 -14.544 1.00 51.43 N ATOM 0 H LYS A 67 -3.603 -12.885 -11.501 1.00 51.33 H new ATOM 0 HA LYS A 67 -1.514 -12.077 -13.202 1.00 72.40 H new ATOM 0 HB2 LYS A 67 -4.176 -10.753 -12.597 1.00 41.20 H new ATOM 0 HB3 LYS A 67 -3.161 -10.396 -13.981 1.00 41.20 H new ATOM 0 HG2 LYS A 67 -3.441 -12.707 -14.798 1.00 72.12 H new ATOM 0 HG3 LYS A 67 -4.427 -13.092 -13.401 1.00 72.12 H new ATOM 0 HD2 LYS A 67 -5.074 -10.981 -15.496 1.00 60.12 H new ATOM 0 HD3 LYS A 67 -5.805 -12.570 -15.393 1.00 60.12 H new ATOM 0 HE2 LYS A 67 -6.704 -11.998 -13.128 1.00 4.14 H new ATOM 0 HE3 LYS A 67 -5.991 -10.402 -13.256 1.00 4.14 H new ATOM 0 HZ1 LYS A 67 -8.028 -9.930 -14.031 1.00 51.43 H new ATOM 0 HZ2 LYS A 67 -7.364 -10.443 -15.507 1.00 51.43 H new ATOM 0 HZ3 LYS A 67 -8.325 -11.504 -14.594 1.00 51.43 H new ATOM 1127 N VAL A 68 -0.333 -10.287 -12.045 1.00 40.43 N ATOM 1128 CA VAL A 68 0.465 -9.283 -11.377 1.00 25.45 C ATOM 1129 C VAL A 68 1.623 -8.848 -12.297 1.00 24.11 C ATOM 1130 O VAL A 68 2.336 -9.699 -12.847 1.00 24.15 O ATOM 1131 CB VAL A 68 1.070 -9.864 -10.048 1.00 24.13 C ATOM 1132 CG1 VAL A 68 1.958 -8.880 -9.365 1.00 33.31 C ATOM 1133 CG2 VAL A 68 0.001 -10.340 -9.079 1.00 31.21 C ATOM 0 H VAL A 68 0.198 -10.860 -12.701 1.00 40.43 H new ATOM 0 HA VAL A 68 -0.172 -8.430 -11.145 1.00 25.45 H new ATOM 0 HB VAL A 68 1.664 -10.727 -10.349 1.00 24.13 H new ATOM 0 HG11 VAL A 68 2.355 -9.322 -8.451 1.00 33.31 H new ATOM 0 HG12 VAL A 68 2.782 -8.613 -10.027 1.00 33.31 H new ATOM 0 HG13 VAL A 68 1.387 -7.985 -9.117 1.00 33.31 H new ATOM 0 HG21 VAL A 68 0.474 -10.731 -8.179 1.00 31.21 H new ATOM 0 HG22 VAL A 68 -0.648 -9.505 -8.814 1.00 31.21 H new ATOM 0 HG23 VAL A 68 -0.592 -11.125 -9.548 1.00 31.21 H new ATOM 1143 N PRO A 69 1.812 -7.525 -12.491 1.00 61.02 N ATOM 1144 CA PRO A 69 2.914 -6.988 -13.308 1.00 64.31 C ATOM 1145 C PRO A 69 4.279 -7.052 -12.575 1.00 63.21 C ATOM 1146 O PRO A 69 4.400 -7.676 -11.505 1.00 14.33 O ATOM 1147 CB PRO A 69 2.496 -5.528 -13.527 1.00 21.40 C ATOM 1148 CG PRO A 69 1.681 -5.190 -12.329 1.00 2.05 C ATOM 1149 CD PRO A 69 0.949 -6.450 -11.957 1.00 24.51 C ATOM 0 HA PRO A 69 3.060 -7.555 -14.227 1.00 64.31 H new ATOM 0 HB2 PRO A 69 3.365 -4.875 -13.613 1.00 21.40 H new ATOM 0 HB3 PRO A 69 1.919 -5.414 -14.445 1.00 21.40 H new ATOM 0 HG2 PRO A 69 2.314 -4.850 -11.509 1.00 2.05 H new ATOM 0 HG3 PRO A 69 0.982 -4.383 -12.548 1.00 2.05 H new ATOM 0 HD2 PRO A 69 0.823 -6.536 -10.878 1.00 24.51 H new ATOM 0 HD3 PRO A 69 -0.047 -6.480 -12.398 1.00 24.51 H new ATOM 1157 N ASP A 70 5.286 -6.390 -13.145 1.00 24.24 N ATOM 1158 CA ASP A 70 6.656 -6.356 -12.581 1.00 51.33 C ATOM 1159 C ASP A 70 6.726 -5.727 -11.202 1.00 15.14 C ATOM 1160 O ASP A 70 5.740 -5.230 -10.669 1.00 33.23 O ATOM 1161 CB ASP A 70 7.644 -5.630 -13.506 1.00 53.34 C ATOM 1162 CG ASP A 70 8.051 -6.418 -14.718 1.00 3.25 C ATOM 1163 OD1 ASP A 70 7.372 -6.338 -15.761 1.00 21.34 O ATOM 1164 OD2 ASP A 70 9.082 -7.111 -14.655 1.00 3.33 O ATOM 0 H ASP A 70 5.186 -5.859 -14.010 1.00 24.24 H new ATOM 0 HA ASP A 70 6.941 -7.404 -12.491 1.00 51.33 H new ATOM 0 HB2 ASP A 70 7.196 -4.691 -13.831 1.00 53.34 H new ATOM 0 HB3 ASP A 70 8.537 -5.376 -12.936 1.00 53.34 H new ATOM 1169 N PHE A 71 7.901 -5.753 -10.638 1.00 31.41 N ATOM 1170 CA PHE A 71 8.157 -5.213 -9.329 1.00 53.21 C ATOM 1171 C PHE A 71 9.386 -4.314 -9.385 1.00 31.32 C ATOM 1172 O PHE A 71 10.188 -4.436 -10.321 1.00 54.51 O ATOM 1173 CB PHE A 71 8.349 -6.363 -8.299 1.00 2.54 C ATOM 1174 CG PHE A 71 9.415 -7.382 -8.664 1.00 4.01 C ATOM 1175 CD1 PHE A 71 10.748 -7.173 -8.342 1.00 3.31 C ATOM 1176 CD2 PHE A 71 9.069 -8.549 -9.322 1.00 24.31 C ATOM 1177 CE1 PHE A 71 11.711 -8.105 -8.670 1.00 55.40 C ATOM 1178 CE2 PHE A 71 10.028 -9.485 -9.654 1.00 43.32 C ATOM 1179 CZ PHE A 71 11.351 -9.261 -9.327 1.00 31.23 C ATOM 0 H PHE A 71 8.725 -6.158 -11.083 1.00 31.41 H new ATOM 0 HA PHE A 71 7.303 -4.617 -9.006 1.00 53.21 H new ATOM 0 HB2 PHE A 71 8.601 -5.926 -7.333 1.00 2.54 H new ATOM 0 HB3 PHE A 71 7.399 -6.882 -8.176 1.00 2.54 H new ATOM 0 HD1 PHE A 71 11.036 -6.268 -7.827 1.00 3.31 H new ATOM 0 HD2 PHE A 71 8.036 -8.730 -9.579 1.00 24.31 H new ATOM 0 HE1 PHE A 71 12.745 -7.929 -8.412 1.00 55.40 H new ATOM 0 HE2 PHE A 71 9.744 -10.391 -10.169 1.00 43.32 H new ATOM 0 HZ PHE A 71 12.103 -9.992 -9.586 1.00 31.23 H new ATOM 1189 N PRO A 72 9.539 -3.374 -8.427 1.00 73.43 N ATOM 1190 CA PRO A 72 10.729 -2.521 -8.354 1.00 43.14 C ATOM 1191 C PRO A 72 11.980 -3.357 -8.073 1.00 32.25 C ATOM 1192 O PRO A 72 11.891 -4.467 -7.518 1.00 24.52 O ATOM 1193 CB PRO A 72 10.439 -1.575 -7.177 1.00 64.44 C ATOM 1194 CG PRO A 72 8.967 -1.658 -6.966 1.00 72.02 C ATOM 1195 CD PRO A 72 8.572 -3.046 -7.363 1.00 1.12 C ATOM 0 HA PRO A 72 10.919 -1.989 -9.286 1.00 43.14 H new ATOM 0 HB2 PRO A 72 10.983 -1.880 -6.283 1.00 64.44 H new ATOM 0 HB3 PRO A 72 10.748 -0.555 -7.406 1.00 64.44 H new ATOM 0 HG2 PRO A 72 8.710 -1.462 -5.925 1.00 72.02 H new ATOM 0 HG3 PRO A 72 8.444 -0.916 -7.569 1.00 72.02 H new ATOM 0 HD2 PRO A 72 8.642 -3.741 -6.526 1.00 1.12 H new ATOM 0 HD3 PRO A 72 7.545 -3.085 -7.725 1.00 1.12 H new ATOM 1203 N SER A 73 13.113 -2.841 -8.441 1.00 74.34 N ATOM 1204 CA SER A 73 14.363 -3.543 -8.287 1.00 50.42 C ATOM 1205 C SER A 73 14.712 -3.704 -6.784 1.00 2.44 C ATOM 1206 O SER A 73 14.240 -2.932 -5.950 1.00 71.40 O ATOM 1207 CB SER A 73 15.448 -2.768 -9.042 1.00 61.01 C ATOM 1208 OG SER A 73 16.668 -3.469 -9.089 1.00 34.32 O ATOM 0 H SER A 73 13.203 -1.915 -8.860 1.00 74.34 H new ATOM 0 HA SER A 73 14.288 -4.547 -8.704 1.00 50.42 H new ATOM 0 HB2 SER A 73 15.108 -2.566 -10.058 1.00 61.01 H new ATOM 0 HB3 SER A 73 15.604 -1.803 -8.560 1.00 61.01 H new ATOM 0 HG SER A 73 17.331 -2.940 -9.581 1.00 34.32 H new ATOM 1214 N LYS A 74 15.514 -4.725 -6.456 1.00 54.14 N ATOM 1215 CA LYS A 74 15.903 -4.993 -5.064 1.00 11.12 C ATOM 1216 C LYS A 74 16.815 -3.885 -4.571 1.00 24.52 C ATOM 1217 O LYS A 74 16.543 -3.234 -3.552 1.00 64.22 O ATOM 1218 CB LYS A 74 16.650 -6.341 -4.969 1.00 22.33 C ATOM 1219 CG LYS A 74 15.836 -7.565 -5.378 1.00 64.32 C ATOM 1220 CD LYS A 74 16.692 -8.843 -5.386 1.00 31.13 C ATOM 1221 CE LYS A 74 17.292 -9.172 -4.013 1.00 41.21 C ATOM 1222 NZ LYS A 74 18.148 -10.385 -4.067 1.00 14.51 N ATOM 0 H LYS A 74 15.906 -5.379 -7.134 1.00 54.14 H new ATOM 0 HA LYS A 74 15.004 -5.036 -4.449 1.00 11.12 H new ATOM 0 HB2 LYS A 74 17.540 -6.290 -5.596 1.00 22.33 H new ATOM 0 HB3 LYS A 74 16.991 -6.478 -3.943 1.00 22.33 H new ATOM 0 HG2 LYS A 74 15.000 -7.692 -4.690 1.00 64.32 H new ATOM 0 HG3 LYS A 74 15.412 -7.405 -6.369 1.00 64.32 H new ATOM 0 HD2 LYS A 74 16.080 -9.681 -5.719 1.00 31.13 H new ATOM 0 HD3 LYS A 74 17.498 -8.729 -6.111 1.00 31.13 H new ATOM 0 HE2 LYS A 74 17.881 -8.325 -3.660 1.00 41.21 H new ATOM 0 HE3 LYS A 74 16.489 -9.324 -3.291 1.00 41.21 H new ATOM 0 HZ1 LYS A 74 18.537 -10.578 -3.122 1.00 14.51 H new ATOM 0 HZ2 LYS A 74 17.579 -11.198 -4.380 1.00 14.51 H new ATOM 0 HZ3 LYS A 74 18.928 -10.230 -4.737 1.00 14.51 H new ATOM 1236 N ARG A 75 17.877 -3.674 -5.301 1.00 74.34 N ATOM 1237 CA ARG A 75 18.815 -2.655 -4.986 1.00 51.51 C ATOM 1238 C ARG A 75 18.361 -1.345 -5.582 1.00 61.23 C ATOM 1239 O ARG A 75 18.366 -1.164 -6.802 1.00 12.54 O ATOM 1240 CB ARG A 75 20.211 -3.028 -5.508 1.00 41.43 C ATOM 1241 CG ARG A 75 21.289 -1.981 -5.247 1.00 53.42 C ATOM 1242 CD ARG A 75 21.496 -1.724 -3.760 1.00 41.54 C ATOM 1243 NE ARG A 75 22.542 -0.720 -3.528 1.00 24.42 N ATOM 1244 CZ ARG A 75 22.920 -0.255 -2.327 1.00 20.03 C ATOM 1245 NH1 ARG A 75 22.354 -0.711 -1.217 1.00 13.23 N ATOM 1246 NH2 ARG A 75 23.878 0.657 -2.239 1.00 34.35 N ATOM 0 H ARG A 75 18.108 -4.214 -6.135 1.00 74.34 H new ATOM 0 HA ARG A 75 18.875 -2.551 -3.903 1.00 51.51 H new ATOM 0 HB2 ARG A 75 20.517 -3.968 -5.048 1.00 41.43 H new ATOM 0 HB3 ARG A 75 20.147 -3.205 -6.582 1.00 41.43 H new ATOM 0 HG2 ARG A 75 22.228 -2.311 -5.691 1.00 53.42 H new ATOM 0 HG3 ARG A 75 21.014 -1.049 -5.740 1.00 53.42 H new ATOM 0 HD2 ARG A 75 20.560 -1.386 -3.314 1.00 41.54 H new ATOM 0 HD3 ARG A 75 21.767 -2.655 -3.263 1.00 41.54 H new ATOM 0 HE ARG A 75 23.021 -0.345 -4.347 1.00 24.42 H new ATOM 0 HH11 ARG A 75 21.624 -1.422 -1.271 1.00 13.23 H new ATOM 0 HH12 ARG A 75 22.649 -0.351 -0.309 1.00 13.23 H new ATOM 0 HH21 ARG A 75 24.329 1.006 -3.085 1.00 34.35 H new ATOM 0 HH22 ARG A 75 24.164 1.009 -1.326 1.00 34.35 H new ATOM 1260 N LEU A 76 17.950 -0.462 -4.731 1.00 14.33 N ATOM 1261 CA LEU A 76 17.552 0.856 -5.125 1.00 61.35 C ATOM 1262 C LEU A 76 18.351 1.866 -4.337 1.00 24.34 C ATOM 1263 O LEU A 76 18.814 1.555 -3.215 1.00 22.14 O ATOM 1264 CB LEU A 76 16.040 1.071 -4.914 1.00 10.31 C ATOM 1265 CG LEU A 76 15.105 0.237 -5.791 1.00 15.21 C ATOM 1266 CD1 LEU A 76 13.658 0.518 -5.439 1.00 74.31 C ATOM 1267 CD2 LEU A 76 15.348 0.537 -7.260 1.00 52.12 C ATOM 0 H LEU A 76 17.879 -0.635 -3.728 1.00 14.33 H new ATOM 0 HA LEU A 76 17.750 0.984 -6.189 1.00 61.35 H new ATOM 0 HB2 LEU A 76 15.807 0.860 -3.870 1.00 10.31 H new ATOM 0 HB3 LEU A 76 15.818 2.125 -5.084 1.00 10.31 H new ATOM 0 HG LEU A 76 15.313 -0.817 -5.608 1.00 15.21 H new ATOM 0 HD11 LEU A 76 13.006 -0.084 -6.072 1.00 74.31 H new ATOM 0 HD12 LEU A 76 13.482 0.265 -4.393 1.00 74.31 H new ATOM 0 HD13 LEU A 76 13.444 1.575 -5.598 1.00 74.31 H new ATOM 0 HD21 LEU A 76 14.675 -0.065 -7.870 1.00 52.12 H new ATOM 0 HD22 LEU A 76 15.164 1.594 -7.451 1.00 52.12 H new ATOM 0 HD23 LEU A 76 16.380 0.297 -7.514 1.00 52.12 H new ATOM 1279 N PRO A 77 18.559 3.069 -4.901 1.00 62.32 N ATOM 1280 CA PRO A 77 19.276 4.158 -4.239 1.00 75.34 C ATOM 1281 C PRO A 77 18.661 4.513 -2.887 1.00 20.11 C ATOM 1282 O PRO A 77 17.502 4.179 -2.600 1.00 52.11 O ATOM 1283 CB PRO A 77 19.136 5.343 -5.214 1.00 35.34 C ATOM 1284 CG PRO A 77 18.031 4.951 -6.128 1.00 65.11 C ATOM 1285 CD PRO A 77 18.117 3.467 -6.247 1.00 73.11 C ATOM 0 HA PRO A 77 20.311 3.888 -4.029 1.00 75.34 H new ATOM 0 HB2 PRO A 77 18.903 6.266 -4.684 1.00 35.34 H new ATOM 0 HB3 PRO A 77 20.062 5.516 -5.763 1.00 35.34 H new ATOM 0 HG2 PRO A 77 17.064 5.257 -5.728 1.00 65.11 H new ATOM 0 HG3 PRO A 77 18.139 5.429 -7.101 1.00 65.11 H new ATOM 0 HD2 PRO A 77 17.156 3.024 -6.507 1.00 73.11 H new ATOM 0 HD3 PRO A 77 18.827 3.161 -7.015 1.00 73.11 H new ATOM 1293 N ASN A 78 19.422 5.198 -2.071 1.00 54.50 N ATOM 1294 CA ASN A 78 18.981 5.572 -0.725 1.00 35.35 C ATOM 1295 C ASN A 78 17.999 6.753 -0.738 1.00 73.31 C ATOM 1296 O ASN A 78 17.714 7.347 0.293 1.00 71.41 O ATOM 1297 CB ASN A 78 20.176 5.853 0.201 1.00 15.32 C ATOM 1298 CG ASN A 78 21.082 4.641 0.370 1.00 54.44 C ATOM 1299 OD1 ASN A 78 20.850 3.793 1.225 1.00 5.42 O ATOM 1300 ND2 ASN A 78 22.127 4.561 -0.414 1.00 22.15 N ATOM 0 H ASN A 78 20.362 5.517 -2.307 1.00 54.50 H new ATOM 0 HA ASN A 78 18.440 4.714 -0.325 1.00 35.35 H new ATOM 0 HB2 ASN A 78 20.756 6.683 -0.202 1.00 15.32 H new ATOM 0 HB3 ASN A 78 19.808 6.166 1.178 1.00 15.32 H new ATOM 0 HD21 ASN A 78 22.774 3.778 -0.323 1.00 22.15 H new ATOM 0 HD22 ASN A 78 22.294 5.282 -1.116 1.00 22.15 H new ATOM 1307 N TRP A 79 17.493 7.071 -1.935 1.00 43.12 N ATOM 1308 CA TRP A 79 16.458 8.097 -2.179 1.00 14.01 C ATOM 1309 C TRP A 79 16.937 9.509 -1.894 1.00 51.24 C ATOM 1310 O TRP A 79 16.161 10.455 -1.913 1.00 51.42 O ATOM 1311 CB TRP A 79 15.155 7.774 -1.427 1.00 22.22 C ATOM 1312 CG TRP A 79 14.659 6.398 -1.741 1.00 32.42 C ATOM 1313 CD1 TRP A 79 14.619 5.340 -0.889 1.00 33.02 C ATOM 1314 CD2 TRP A 79 14.191 5.917 -3.006 1.00 44.33 C ATOM 1315 NE1 TRP A 79 14.136 4.231 -1.536 1.00 31.15 N ATOM 1316 CE2 TRP A 79 13.870 4.559 -2.839 1.00 71.33 C ATOM 1317 CE3 TRP A 79 14.009 6.506 -4.262 1.00 33.22 C ATOM 1318 CZ2 TRP A 79 13.378 3.780 -3.876 1.00 71.34 C ATOM 1319 CZ3 TRP A 79 13.522 5.730 -5.289 1.00 1.33 C ATOM 1320 CH2 TRP A 79 13.212 4.381 -5.095 1.00 54.21 C ATOM 0 H TRP A 79 17.799 6.610 -2.792 1.00 43.12 H new ATOM 0 HA TRP A 79 16.243 8.064 -3.247 1.00 14.01 H new ATOM 0 HB2 TRP A 79 15.323 7.864 -0.354 1.00 22.22 H new ATOM 0 HB3 TRP A 79 14.391 8.505 -1.692 1.00 22.22 H new ATOM 0 HD1 TRP A 79 14.923 5.368 0.147 1.00 33.02 H new ATOM 0 HE1 TRP A 79 13.998 3.312 -1.115 1.00 31.15 H new ATOM 0 HE3 TRP A 79 14.246 7.548 -4.422 1.00 33.22 H new ATOM 0 HZ2 TRP A 79 13.135 2.738 -3.727 1.00 71.34 H new ATOM 0 HZ3 TRP A 79 13.377 6.172 -6.264 1.00 1.33 H new ATOM 0 HH2 TRP A 79 12.834 3.801 -5.924 1.00 54.21 H new ATOM 1331 N ARG A 80 18.213 9.647 -1.644 1.00 40.03 N ATOM 1332 CA ARG A 80 18.812 10.942 -1.465 1.00 14.53 C ATOM 1333 C ARG A 80 19.013 11.584 -2.839 1.00 2.42 C ATOM 1334 O ARG A 80 18.876 12.804 -3.017 1.00 44.11 O ATOM 1335 CB ARG A 80 20.144 10.813 -0.714 1.00 34.11 C ATOM 1336 CG ARG A 80 20.865 12.128 -0.504 1.00 11.42 C ATOM 1337 CD ARG A 80 22.178 11.934 0.224 1.00 22.11 C ATOM 1338 NE ARG A 80 22.925 13.187 0.326 1.00 43.43 N ATOM 1339 CZ ARG A 80 24.199 13.290 0.700 1.00 64.00 C ATOM 1340 NH1 ARG A 80 24.862 12.219 1.114 1.00 51.14 N ATOM 1341 NH2 ARG A 80 24.811 14.470 0.670 1.00 64.24 N ATOM 0 H ARG A 80 18.864 8.866 -1.559 1.00 40.03 H new ATOM 0 HA ARG A 80 18.158 11.576 -0.867 1.00 14.53 H new ATOM 0 HB2 ARG A 80 19.958 10.354 0.257 1.00 34.11 H new ATOM 0 HB3 ARG A 80 20.797 10.137 -1.267 1.00 34.11 H new ATOM 0 HG2 ARG A 80 21.050 12.600 -1.469 1.00 11.42 H new ATOM 0 HG3 ARG A 80 20.229 12.805 0.066 1.00 11.42 H new ATOM 0 HD2 ARG A 80 21.987 11.541 1.223 1.00 22.11 H new ATOM 0 HD3 ARG A 80 22.780 11.192 -0.301 1.00 22.11 H new ATOM 0 HE ARG A 80 22.432 14.049 0.093 1.00 43.43 H new ATOM 0 HH11 ARG A 80 24.396 11.312 1.147 1.00 51.14 H new ATOM 0 HH12 ARG A 80 25.838 12.302 1.400 1.00 51.14 H new ATOM 0 HH21 ARG A 80 24.305 15.299 0.360 1.00 64.24 H new ATOM 0 HH22 ARG A 80 25.787 14.546 0.957 1.00 64.24 H new ATOM 1355 N THR A 81 19.299 10.738 -3.807 1.00 23.31 N ATOM 1356 CA THR A 81 19.565 11.154 -5.160 1.00 51.13 C ATOM 1357 C THR A 81 18.242 11.428 -5.905 1.00 12.12 C ATOM 1358 O THR A 81 18.086 12.454 -6.558 1.00 71.35 O ATOM 1359 CB THR A 81 20.343 10.033 -5.887 1.00 53.22 C ATOM 1360 OG1 THR A 81 21.449 9.611 -5.058 1.00 53.35 O ATOM 1361 CG2 THR A 81 20.893 10.521 -7.217 1.00 20.14 C ATOM 0 H THR A 81 19.353 9.729 -3.669 1.00 23.31 H new ATOM 0 HA THR A 81 20.155 12.070 -5.145 1.00 51.13 H new ATOM 0 HB THR A 81 19.658 9.205 -6.072 1.00 53.22 H new ATOM 0 HG1 THR A 81 21.946 8.899 -5.513 1.00 53.35 H new ATOM 0 HG21 THR A 81 21.435 9.711 -7.706 1.00 20.14 H new ATOM 0 HG22 THR A 81 20.070 10.843 -7.855 1.00 20.14 H new ATOM 0 HG23 THR A 81 21.569 11.359 -7.046 1.00 20.14 H new ATOM 1369 N ARG A 82 17.287 10.526 -5.758 1.00 63.11 N ATOM 1370 CA ARG A 82 16.007 10.649 -6.443 1.00 3.05 C ATOM 1371 C ARG A 82 14.978 11.257 -5.506 1.00 3.42 C ATOM 1372 O ARG A 82 15.307 11.677 -4.388 1.00 31.22 O ATOM 1373 CB ARG A 82 15.514 9.269 -6.927 1.00 65.42 C ATOM 1374 CG ARG A 82 16.473 8.557 -7.859 1.00 72.14 C ATOM 1375 CD ARG A 82 15.933 7.206 -8.316 1.00 23.24 C ATOM 1376 NE ARG A 82 16.927 6.469 -9.112 1.00 43.23 N ATOM 1377 CZ ARG A 82 16.771 5.227 -9.612 1.00 43.25 C ATOM 1378 NH1 ARG A 82 15.607 4.588 -9.500 1.00 62.11 N ATOM 1379 NH2 ARG A 82 17.785 4.639 -10.239 1.00 1.13 N ATOM 0 H ARG A 82 17.372 9.697 -5.169 1.00 63.11 H new ATOM 0 HA ARG A 82 16.140 11.297 -7.310 1.00 3.05 H new ATOM 0 HB2 ARG A 82 15.332 8.636 -6.059 1.00 65.42 H new ATOM 0 HB3 ARG A 82 14.558 9.395 -7.435 1.00 65.42 H new ATOM 0 HG2 ARG A 82 16.664 9.184 -8.730 1.00 72.14 H new ATOM 0 HG3 ARG A 82 17.428 8.413 -7.354 1.00 72.14 H new ATOM 0 HD2 ARG A 82 15.650 6.613 -7.446 1.00 23.24 H new ATOM 0 HD3 ARG A 82 15.030 7.355 -8.908 1.00 23.24 H new ATOM 0 HE ARG A 82 17.812 6.939 -9.302 1.00 43.23 H new ATOM 0 HH11 ARG A 82 14.821 5.039 -9.032 1.00 62.11 H new ATOM 0 HH12 ARG A 82 15.502 3.648 -9.883 1.00 62.11 H new ATOM 0 HH21 ARG A 82 18.675 5.128 -10.339 1.00 1.13 H new ATOM 0 HH22 ARG A 82 17.673 3.699 -10.620 1.00 1.13 H new ATOM 1393 N GLY A 83 13.773 11.336 -5.960 1.00 62.11 N ATOM 1394 CA GLY A 83 12.707 11.818 -5.148 1.00 20.32 C ATOM 1395 C GLY A 83 11.775 10.693 -4.820 1.00 12.22 C ATOM 1396 O GLY A 83 11.879 9.603 -5.412 1.00 53.14 O ATOM 0 H GLY A 83 13.499 11.068 -6.905 1.00 62.11 H new ATOM 0 HA2 GLY A 83 13.104 12.254 -4.231 1.00 20.32 H new ATOM 0 HA3 GLY A 83 12.168 12.609 -5.670 1.00 20.32 H new ATOM 1400 N LEU A 84 10.876 10.911 -3.899 1.00 20.35 N ATOM 1401 CA LEU A 84 9.932 9.886 -3.542 1.00 71.51 C ATOM 1402 C LEU A 84 8.856 9.686 -4.561 1.00 51.34 C ATOM 1403 O LEU A 84 8.213 8.652 -4.563 1.00 31.25 O ATOM 1404 CB LEU A 84 9.360 10.017 -2.131 1.00 60.43 C ATOM 1405 CG LEU A 84 10.158 9.348 -1.006 1.00 32.44 C ATOM 1406 CD1 LEU A 84 10.330 7.879 -1.311 1.00 23.34 C ATOM 1407 CD2 LEU A 84 11.505 10.005 -0.762 1.00 72.14 C ATOM 0 H LEU A 84 10.777 11.786 -3.384 1.00 20.35 H new ATOM 0 HA LEU A 84 10.531 8.976 -3.533 1.00 71.51 H new ATOM 0 HB2 LEU A 84 9.265 11.078 -1.898 1.00 60.43 H new ATOM 0 HB3 LEU A 84 8.353 9.599 -2.131 1.00 60.43 H new ATOM 0 HG LEU A 84 9.587 9.471 -0.085 1.00 32.44 H new ATOM 0 HD11 LEU A 84 10.898 7.405 -0.510 1.00 23.34 H new ATOM 0 HD12 LEU A 84 9.351 7.407 -1.390 1.00 23.34 H new ATOM 0 HD13 LEU A 84 10.866 7.763 -2.253 1.00 23.34 H new ATOM 0 HD21 LEU A 84 12.022 9.486 0.046 1.00 72.14 H new ATOM 0 HD22 LEU A 84 12.106 9.952 -1.670 1.00 72.14 H new ATOM 0 HD23 LEU A 84 11.356 11.049 -0.486 1.00 72.14 H new ATOM 1419 N GLU A 85 8.671 10.645 -5.443 1.00 22.24 N ATOM 1420 CA GLU A 85 7.678 10.513 -6.487 1.00 10.33 C ATOM 1421 C GLU A 85 7.997 9.397 -7.454 1.00 4.11 C ATOM 1422 O GLU A 85 7.089 8.779 -8.000 1.00 30.23 O ATOM 1423 CB GLU A 85 7.425 11.821 -7.206 1.00 54.30 C ATOM 1424 CG GLU A 85 6.625 12.793 -6.390 1.00 74.42 C ATOM 1425 CD GLU A 85 5.276 12.225 -6.048 1.00 4.31 C ATOM 1426 OE1 GLU A 85 4.410 12.124 -6.954 1.00 71.12 O ATOM 1427 OE2 GLU A 85 5.058 11.845 -4.892 1.00 12.24 O ATOM 0 H GLU A 85 9.193 11.521 -5.458 1.00 22.24 H new ATOM 0 HA GLU A 85 6.749 10.238 -5.987 1.00 10.33 H new ATOM 0 HB2 GLU A 85 8.380 12.275 -7.469 1.00 54.30 H new ATOM 0 HB3 GLU A 85 6.900 11.620 -8.140 1.00 54.30 H new ATOM 0 HG2 GLU A 85 7.164 13.035 -5.474 1.00 74.42 H new ATOM 0 HG3 GLU A 85 6.502 13.724 -6.944 1.00 74.42 H new ATOM 1434 N GLN A 86 9.278 9.134 -7.651 1.00 62.51 N ATOM 1435 CA GLN A 86 9.717 8.040 -8.503 1.00 20.32 C ATOM 1436 C GLN A 86 9.315 6.716 -7.848 1.00 63.32 C ATOM 1437 O GLN A 86 8.676 5.870 -8.476 1.00 3.55 O ATOM 1438 CB GLN A 86 11.254 8.168 -8.757 1.00 32.15 C ATOM 1439 CG GLN A 86 11.920 7.139 -9.705 1.00 52.44 C ATOM 1440 CD GLN A 86 12.178 5.764 -9.091 1.00 20.13 C ATOM 1441 OE1 GLN A 86 13.235 5.528 -8.507 1.00 23.13 O ATOM 1442 NE2 GLN A 86 11.258 4.855 -9.242 1.00 25.21 N ATOM 0 H GLN A 86 10.038 9.668 -7.229 1.00 62.51 H new ATOM 0 HA GLN A 86 9.236 8.075 -9.480 1.00 20.32 H new ATOM 0 HB2 GLN A 86 11.445 9.164 -9.157 1.00 32.15 H new ATOM 0 HB3 GLN A 86 11.758 8.110 -7.793 1.00 32.15 H new ATOM 0 HG2 GLN A 86 11.287 7.014 -10.583 1.00 52.44 H new ATOM 0 HG3 GLN A 86 12.869 7.549 -10.052 1.00 52.44 H new ATOM 0 HE21 GLN A 86 10.392 5.082 -9.731 1.00 25.21 H new ATOM 0 HE22 GLN A 86 11.403 3.916 -8.871 1.00 25.21 H new ATOM 1451 N ARG A 87 9.656 6.574 -6.575 1.00 23.35 N ATOM 1452 CA ARG A 87 9.308 5.381 -5.803 1.00 30.42 C ATOM 1453 C ARG A 87 7.796 5.233 -5.700 1.00 53.21 C ATOM 1454 O ARG A 87 7.242 4.190 -6.031 1.00 12.41 O ATOM 1455 CB ARG A 87 9.931 5.461 -4.409 1.00 55.54 C ATOM 1456 CG ARG A 87 9.525 4.345 -3.452 1.00 5.13 C ATOM 1457 CD ARG A 87 10.246 4.505 -2.133 1.00 25.20 C ATOM 1458 NE ARG A 87 9.768 3.591 -1.088 1.00 43.45 N ATOM 1459 CZ ARG A 87 10.422 3.372 0.063 1.00 43.24 C ATOM 1460 NH1 ARG A 87 11.652 3.858 0.226 1.00 45.42 N ATOM 1461 NH2 ARG A 87 9.855 2.654 1.038 1.00 51.33 N ATOM 0 H ARG A 87 10.178 7.274 -6.048 1.00 23.35 H new ATOM 0 HA ARG A 87 9.703 4.505 -6.317 1.00 30.42 H new ATOM 0 HB2 ARG A 87 11.016 5.453 -4.512 1.00 55.54 H new ATOM 0 HB3 ARG A 87 9.661 6.418 -3.962 1.00 55.54 H new ATOM 0 HG2 ARG A 87 8.447 4.367 -3.291 1.00 5.13 H new ATOM 0 HG3 ARG A 87 9.762 3.375 -3.890 1.00 5.13 H new ATOM 0 HD2 ARG A 87 11.312 4.340 -2.289 1.00 25.20 H new ATOM 0 HD3 ARG A 87 10.130 5.532 -1.787 1.00 25.20 H new ATOM 0 HE ARG A 87 8.891 3.095 -1.246 1.00 43.45 H new ATOM 0 HH11 ARG A 87 12.092 4.394 -0.522 1.00 45.42 H new ATOM 0 HH12 ARG A 87 12.153 3.694 1.099 1.00 45.42 H new ATOM 0 HH21 ARG A 87 8.919 2.269 0.909 1.00 51.33 H new ATOM 0 HH22 ARG A 87 10.358 2.492 1.910 1.00 51.33 H new ATOM 1475 N ARG A 88 7.149 6.288 -5.244 1.00 41.34 N ATOM 1476 CA ARG A 88 5.710 6.347 -5.115 1.00 4.31 C ATOM 1477 C ARG A 88 4.994 5.990 -6.426 1.00 62.23 C ATOM 1478 O ARG A 88 4.044 5.228 -6.400 1.00 62.13 O ATOM 1479 CB ARG A 88 5.277 7.711 -4.486 1.00 74.22 C ATOM 1480 CG ARG A 88 3.788 8.017 -4.490 1.00 71.31 C ATOM 1481 CD ARG A 88 3.372 8.757 -5.748 1.00 41.01 C ATOM 1482 NE ARG A 88 1.927 8.875 -5.850 1.00 55.03 N ATOM 1483 CZ ARG A 88 1.262 9.874 -6.429 1.00 53.52 C ATOM 1484 NH1 ARG A 88 1.893 10.994 -6.797 1.00 73.12 N ATOM 1485 NH2 ARG A 88 -0.044 9.754 -6.627 1.00 71.23 N ATOM 0 H ARG A 88 7.620 7.143 -4.948 1.00 41.34 H new ATOM 0 HA ARG A 88 5.385 5.574 -4.418 1.00 4.31 H new ATOM 0 HB2 ARG A 88 5.628 7.738 -3.454 1.00 74.22 H new ATOM 0 HB3 ARG A 88 5.791 8.511 -5.019 1.00 74.22 H new ATOM 0 HG2 ARG A 88 3.225 7.087 -4.411 1.00 71.31 H new ATOM 0 HG3 ARG A 88 3.537 8.617 -3.615 1.00 71.31 H new ATOM 0 HD2 ARG A 88 3.819 9.751 -5.750 1.00 41.01 H new ATOM 0 HD3 ARG A 88 3.757 8.233 -6.623 1.00 41.01 H new ATOM 0 HE ARG A 88 1.371 8.124 -5.441 1.00 55.03 H new ATOM 0 HH11 ARG A 88 2.895 11.091 -6.635 1.00 73.12 H new ATOM 0 HH12 ARG A 88 1.372 11.751 -7.239 1.00 73.12 H new ATOM 0 HH21 ARG A 88 -0.528 8.904 -6.337 1.00 71.23 H new ATOM 0 HH22 ARG A 88 -0.565 10.512 -7.069 1.00 71.23 H new ATOM 1499 N GLN A 89 5.489 6.502 -7.564 1.00 30.23 N ATOM 1500 CA GLN A 89 4.899 6.184 -8.884 1.00 34.14 C ATOM 1501 C GLN A 89 4.948 4.684 -9.148 1.00 53.42 C ATOM 1502 O GLN A 89 4.002 4.106 -9.704 1.00 14.10 O ATOM 1503 CB GLN A 89 5.633 6.932 -10.009 1.00 73.04 C ATOM 1504 CG GLN A 89 5.135 6.634 -11.431 1.00 43.21 C ATOM 1505 CD GLN A 89 3.694 7.064 -11.703 1.00 43.30 C ATOM 1506 OE1 GLN A 89 2.835 7.087 -10.813 1.00 12.33 O ATOM 1507 NE2 GLN A 89 3.422 7.407 -12.926 1.00 1.51 N ATOM 0 H GLN A 89 6.289 7.133 -7.602 1.00 30.23 H new ATOM 0 HA GLN A 89 3.858 6.508 -8.869 1.00 34.14 H new ATOM 0 HB2 GLN A 89 5.545 8.003 -9.828 1.00 73.04 H new ATOM 0 HB3 GLN A 89 6.693 6.686 -9.954 1.00 73.04 H new ATOM 0 HG2 GLN A 89 5.790 7.134 -12.144 1.00 43.21 H new ATOM 0 HG3 GLN A 89 5.222 5.563 -11.615 1.00 43.21 H new ATOM 0 HE21 GLN A 89 4.152 7.378 -13.638 1.00 1.51 H new ATOM 0 HE22 GLN A 89 2.479 7.706 -13.174 1.00 1.51 H new ATOM 1516 N GLY A 90 6.046 4.063 -8.740 1.00 13.30 N ATOM 1517 CA GLY A 90 6.202 2.637 -8.897 1.00 63.10 C ATOM 1518 C GLY A 90 5.097 1.881 -8.190 1.00 3.41 C ATOM 1519 O GLY A 90 4.437 1.025 -8.784 1.00 53.44 O ATOM 0 H GLY A 90 6.838 4.531 -8.299 1.00 13.30 H new ATOM 0 HA2 GLY A 90 6.198 2.383 -9.957 1.00 63.10 H new ATOM 0 HA3 GLY A 90 7.169 2.329 -8.499 1.00 63.10 H new ATOM 1523 N LEU A 91 4.861 2.220 -6.937 1.00 12.30 N ATOM 1524 CA LEU A 91 3.812 1.564 -6.185 1.00 61.01 C ATOM 1525 C LEU A 91 2.426 1.945 -6.711 1.00 55.23 C ATOM 1526 O LEU A 91 1.532 1.119 -6.696 1.00 32.31 O ATOM 1527 CB LEU A 91 3.902 1.783 -4.663 1.00 42.11 C ATOM 1528 CG LEU A 91 5.092 1.163 -3.875 1.00 42.54 C ATOM 1529 CD1 LEU A 91 5.209 -0.335 -4.081 1.00 5.44 C ATOM 1530 CD2 LEU A 91 6.401 1.855 -4.165 1.00 40.33 C ATOM 0 H LEU A 91 5.375 2.937 -6.425 1.00 12.30 H new ATOM 0 HA LEU A 91 3.967 0.497 -6.343 1.00 61.01 H new ATOM 0 HB2 LEU A 91 3.917 2.859 -4.487 1.00 42.11 H new ATOM 0 HB3 LEU A 91 2.982 1.400 -4.222 1.00 42.11 H new ATOM 0 HG LEU A 91 4.865 1.328 -2.822 1.00 42.54 H new ATOM 0 HD11 LEU A 91 6.055 -0.716 -3.509 1.00 5.44 H new ATOM 0 HD12 LEU A 91 4.294 -0.821 -3.743 1.00 5.44 H new ATOM 0 HD13 LEU A 91 5.362 -0.546 -5.139 1.00 5.44 H new ATOM 0 HD21 LEU A 91 7.197 1.383 -3.590 1.00 40.33 H new ATOM 0 HD22 LEU A 91 6.626 1.776 -5.229 1.00 40.33 H new ATOM 0 HD23 LEU A 91 6.326 2.906 -3.887 1.00 40.33 H new ATOM 1542 N GLU A 92 2.256 3.193 -7.187 1.00 32.31 N ATOM 1543 CA GLU A 92 0.981 3.618 -7.814 1.00 10.21 C ATOM 1544 C GLU A 92 0.615 2.646 -8.920 1.00 45.34 C ATOM 1545 O GLU A 92 -0.489 2.102 -8.961 1.00 14.11 O ATOM 1546 CB GLU A 92 1.118 4.991 -8.487 1.00 51.00 C ATOM 1547 CG GLU A 92 1.392 6.172 -7.595 1.00 34.23 C ATOM 1548 CD GLU A 92 0.263 6.513 -6.660 1.00 54.51 C ATOM 1549 OE1 GLU A 92 -0.825 6.873 -7.143 1.00 62.03 O ATOM 1550 OE2 GLU A 92 0.480 6.531 -5.447 1.00 62.53 O ATOM 0 H GLU A 92 2.972 3.919 -7.153 1.00 32.31 H new ATOM 0 HA GLU A 92 0.230 3.653 -7.024 1.00 10.21 H new ATOM 0 HB2 GLU A 92 1.922 4.929 -9.221 1.00 51.00 H new ATOM 0 HB3 GLU A 92 0.199 5.190 -9.038 1.00 51.00 H new ATOM 0 HG2 GLU A 92 2.287 5.969 -7.007 1.00 34.23 H new ATOM 0 HG3 GLU A 92 1.609 7.040 -8.217 1.00 34.23 H new ATOM 1557 N ALA A 93 1.569 2.416 -9.797 1.00 42.23 N ATOM 1558 CA ALA A 93 1.368 1.579 -10.951 1.00 20.03 C ATOM 1559 C ALA A 93 1.216 0.120 -10.569 1.00 42.43 C ATOM 1560 O ALA A 93 0.285 -0.553 -11.011 1.00 55.04 O ATOM 1561 CB ALA A 93 2.510 1.756 -11.938 1.00 71.31 C ATOM 0 H ALA A 93 2.508 2.808 -9.725 1.00 42.23 H new ATOM 0 HA ALA A 93 0.438 1.890 -11.426 1.00 20.03 H new ATOM 0 HB1 ALA A 93 2.344 1.117 -12.805 1.00 71.31 H new ATOM 0 HB2 ALA A 93 2.556 2.797 -12.258 1.00 71.31 H new ATOM 0 HB3 ALA A 93 3.450 1.481 -11.460 1.00 71.31 H new ATOM 1567 N TYR A 94 2.104 -0.362 -9.736 1.00 44.04 N ATOM 1568 CA TYR A 94 2.099 -1.762 -9.392 1.00 32.25 C ATOM 1569 C TYR A 94 0.984 -2.155 -8.407 1.00 25.13 C ATOM 1570 O TYR A 94 0.313 -3.167 -8.613 1.00 42.32 O ATOM 1571 CB TYR A 94 3.473 -2.230 -8.891 1.00 13.50 C ATOM 1572 CG TYR A 94 4.603 -2.088 -9.907 1.00 15.40 C ATOM 1573 CD1 TYR A 94 4.439 -2.493 -11.229 1.00 74.32 C ATOM 1574 CD2 TYR A 94 5.827 -1.546 -9.541 1.00 73.11 C ATOM 1575 CE1 TYR A 94 5.466 -2.361 -12.150 1.00 71.04 C ATOM 1576 CE2 TYR A 94 6.854 -1.413 -10.453 1.00 23.10 C ATOM 1577 CZ TYR A 94 6.672 -1.820 -11.752 1.00 73.43 C ATOM 1578 OH TYR A 94 7.706 -1.693 -12.661 1.00 33.44 O ATOM 0 H TYR A 94 2.835 0.189 -9.286 1.00 44.04 H new ATOM 0 HA TYR A 94 1.877 -2.287 -10.321 1.00 32.25 H new ATOM 0 HB2 TYR A 94 3.732 -1.662 -7.998 1.00 13.50 H new ATOM 0 HB3 TYR A 94 3.399 -3.276 -8.593 1.00 13.50 H new ATOM 0 HD1 TYR A 94 3.496 -2.917 -11.542 1.00 74.32 H new ATOM 0 HD2 TYR A 94 5.979 -1.222 -8.522 1.00 73.11 H new ATOM 0 HE1 TYR A 94 5.324 -2.679 -13.172 1.00 71.04 H new ATOM 0 HE2 TYR A 94 7.799 -0.990 -10.146 1.00 23.10 H new ATOM 0 HH TYR A 94 8.483 -1.293 -12.218 1.00 33.44 H new ATOM 1588 N ILE A 95 0.805 -1.385 -7.350 1.00 40.13 N ATOM 1589 CA ILE A 95 -0.195 -1.697 -6.320 1.00 41.35 C ATOM 1590 C ILE A 95 -1.632 -1.464 -6.825 1.00 25.22 C ATOM 1591 O ILE A 95 -2.505 -2.315 -6.640 1.00 24.40 O ATOM 1592 CB ILE A 95 0.079 -0.945 -4.975 1.00 42.15 C ATOM 1593 CG1 ILE A 95 1.504 -1.271 -4.467 1.00 64.44 C ATOM 1594 CG2 ILE A 95 -0.953 -1.314 -3.899 1.00 13.42 C ATOM 1595 CD1 ILE A 95 1.771 -2.753 -4.219 1.00 32.04 C ATOM 0 H ILE A 95 1.337 -0.533 -7.173 1.00 40.13 H new ATOM 0 HA ILE A 95 -0.098 -2.761 -6.106 1.00 41.35 H new ATOM 0 HB ILE A 95 -0.006 0.124 -5.170 1.00 42.15 H new ATOM 0 HG12 ILE A 95 2.227 -0.903 -5.195 1.00 64.44 H new ATOM 0 HG13 ILE A 95 1.678 -0.725 -3.540 1.00 64.44 H new ATOM 0 HG21 ILE A 95 -0.730 -0.772 -2.980 1.00 13.42 H new ATOM 0 HG22 ILE A 95 -1.951 -1.046 -4.245 1.00 13.42 H new ATOM 0 HG23 ILE A 95 -0.911 -2.386 -3.707 1.00 13.42 H new ATOM 0 HD11 ILE A 95 2.794 -2.884 -3.865 1.00 32.04 H new ATOM 0 HD12 ILE A 95 1.076 -3.127 -3.467 1.00 32.04 H new ATOM 0 HD13 ILE A 95 1.634 -3.308 -5.147 1.00 32.04 H new ATOM 1607 N GLN A 96 -1.880 -0.326 -7.482 1.00 62.20 N ATOM 1608 CA GLN A 96 -3.216 -0.089 -8.023 1.00 44.35 C ATOM 1609 C GLN A 96 -3.465 -1.021 -9.195 1.00 21.12 C ATOM 1610 O GLN A 96 -4.590 -1.462 -9.416 1.00 3.32 O ATOM 1611 CB GLN A 96 -3.445 1.370 -8.442 1.00 53.43 C ATOM 1612 CG GLN A 96 -4.841 1.607 -9.019 1.00 55.40 C ATOM 1613 CD GLN A 96 -5.087 3.023 -9.455 1.00 35.13 C ATOM 1614 OE1 GLN A 96 -5.565 3.861 -8.672 1.00 42.32 O ATOM 1615 NE2 GLN A 96 -4.777 3.314 -10.691 1.00 45.14 N ATOM 0 H GLN A 96 -1.201 0.417 -7.646 1.00 62.20 H new ATOM 0 HA GLN A 96 -3.928 -0.295 -7.224 1.00 44.35 H new ATOM 0 HB2 GLN A 96 -3.299 2.019 -7.578 1.00 53.43 H new ATOM 0 HB3 GLN A 96 -2.697 1.652 -9.183 1.00 53.43 H new ATOM 0 HG2 GLN A 96 -4.988 0.944 -9.871 1.00 55.40 H new ATOM 0 HG3 GLN A 96 -5.584 1.333 -8.270 1.00 55.40 H new ATOM 0 HE21 GLN A 96 -4.387 2.596 -11.301 1.00 45.14 H new ATOM 0 HE22 GLN A 96 -4.926 4.259 -11.045 1.00 45.14 H new ATOM 1624 N GLY A 97 -2.393 -1.336 -9.922 1.00 25.40 N ATOM 1625 CA GLY A 97 -2.482 -2.238 -11.041 1.00 23.24 C ATOM 1626 C GLY A 97 -3.068 -3.571 -10.643 1.00 22.43 C ATOM 1627 O GLY A 97 -4.019 -4.027 -11.246 1.00 41.23 O ATOM 0 H GLY A 97 -1.457 -0.972 -9.745 1.00 25.40 H new ATOM 0 HA2 GLY A 97 -3.097 -1.789 -11.821 1.00 23.24 H new ATOM 0 HA3 GLY A 97 -1.489 -2.390 -11.465 1.00 23.24 H new ATOM 1631 N ILE A 98 -2.526 -4.171 -9.594 1.00 33.55 N ATOM 1632 CA ILE A 98 -3.028 -5.459 -9.113 1.00 20.21 C ATOM 1633 C ILE A 98 -4.436 -5.364 -8.553 1.00 13.45 C ATOM 1634 O ILE A 98 -5.237 -6.314 -8.691 1.00 53.22 O ATOM 1635 CB ILE A 98 -2.079 -6.149 -8.110 1.00 51.13 C ATOM 1636 CG1 ILE A 98 -1.674 -5.201 -6.980 1.00 61.01 C ATOM 1637 CG2 ILE A 98 -0.879 -6.705 -8.824 1.00 21.11 C ATOM 1638 CD1 ILE A 98 -0.718 -5.793 -5.970 1.00 11.15 C ATOM 0 H ILE A 98 -1.744 -3.794 -9.059 1.00 33.55 H new ATOM 0 HA ILE A 98 -3.067 -6.094 -9.998 1.00 20.21 H new ATOM 0 HB ILE A 98 -2.614 -6.980 -7.650 1.00 51.13 H new ATOM 0 HG12 ILE A 98 -1.216 -4.313 -7.416 1.00 61.01 H new ATOM 0 HG13 ILE A 98 -2.574 -4.873 -6.459 1.00 61.01 H new ATOM 0 HG21 ILE A 98 -0.219 -7.189 -8.104 1.00 21.11 H new ATOM 0 HG22 ILE A 98 -1.203 -7.435 -9.566 1.00 21.11 H new ATOM 0 HG23 ILE A 98 -0.344 -5.896 -9.320 1.00 21.11 H new ATOM 0 HD11 ILE A 98 -0.488 -5.049 -5.207 1.00 11.15 H new ATOM 0 HD12 ILE A 98 -1.177 -6.663 -5.501 1.00 11.15 H new ATOM 0 HD13 ILE A 98 0.201 -6.094 -6.472 1.00 11.15 H new ATOM 1650 N LEU A 99 -4.770 -4.218 -7.957 1.00 60.24 N ATOM 1651 CA LEU A 99 -6.106 -4.024 -7.448 1.00 72.02 C ATOM 1652 C LEU A 99 -7.117 -3.931 -8.587 1.00 73.24 C ATOM 1653 O LEU A 99 -8.274 -4.341 -8.453 1.00 51.24 O ATOM 1654 CB LEU A 99 -6.199 -2.851 -6.395 1.00 45.20 C ATOM 1655 CG LEU A 99 -7.616 -2.542 -5.820 1.00 63.22 C ATOM 1656 CD1 LEU A 99 -7.519 -1.920 -4.442 1.00 53.44 C ATOM 1657 CD2 LEU A 99 -8.377 -1.596 -6.734 1.00 44.31 C ATOM 0 H LEU A 99 -4.138 -3.429 -7.822 1.00 60.24 H new ATOM 0 HA LEU A 99 -6.377 -4.911 -6.875 1.00 72.02 H new ATOM 0 HB2 LEU A 99 -5.537 -3.087 -5.562 1.00 45.20 H new ATOM 0 HB3 LEU A 99 -5.814 -1.943 -6.860 1.00 45.20 H new ATOM 0 HG LEU A 99 -8.151 -3.489 -5.751 1.00 63.22 H new ATOM 0 HD11 LEU A 99 -8.521 -1.715 -4.064 1.00 53.44 H new ATOM 0 HD12 LEU A 99 -7.011 -2.609 -3.767 1.00 53.44 H new ATOM 0 HD13 LEU A 99 -6.956 -0.989 -4.502 1.00 53.44 H new ATOM 0 HD21 LEU A 99 -9.362 -1.396 -6.312 1.00 44.31 H new ATOM 0 HD22 LEU A 99 -7.826 -0.660 -6.829 1.00 44.31 H new ATOM 0 HD23 LEU A 99 -8.490 -2.052 -7.717 1.00 44.31 H new ATOM 1669 N TYR A 100 -6.662 -3.442 -9.704 1.00 0.32 N ATOM 1670 CA TYR A 100 -7.478 -3.303 -10.882 1.00 13.21 C ATOM 1671 C TYR A 100 -7.539 -4.656 -11.635 1.00 15.40 C ATOM 1672 O TYR A 100 -8.478 -4.921 -12.392 1.00 61.13 O ATOM 1673 CB TYR A 100 -6.855 -2.202 -11.772 1.00 72.42 C ATOM 1674 CG TYR A 100 -7.667 -1.783 -12.979 1.00 2.04 C ATOM 1675 CD1 TYR A 100 -8.633 -0.795 -12.866 1.00 14.05 C ATOM 1676 CD2 TYR A 100 -7.453 -2.350 -14.231 1.00 13.40 C ATOM 1677 CE1 TYR A 100 -9.366 -0.384 -13.957 1.00 71.01 C ATOM 1678 CE2 TYR A 100 -8.187 -1.947 -15.330 1.00 23.33 C ATOM 1679 CZ TYR A 100 -9.142 -0.963 -15.186 1.00 43.25 C ATOM 1680 OH TYR A 100 -9.876 -0.549 -16.279 1.00 41.24 O ATOM 0 H TYR A 100 -5.701 -3.123 -9.827 1.00 0.32 H new ATOM 0 HA TYR A 100 -8.497 -3.021 -10.616 1.00 13.21 H new ATOM 0 HB2 TYR A 100 -6.678 -1.321 -11.155 1.00 72.42 H new ATOM 0 HB3 TYR A 100 -5.881 -2.550 -12.117 1.00 72.42 H new ATOM 0 HD1 TYR A 100 -8.814 -0.339 -11.904 1.00 14.05 H new ATOM 0 HD2 TYR A 100 -6.701 -3.117 -14.346 1.00 13.40 H new ATOM 0 HE1 TYR A 100 -10.113 0.389 -13.849 1.00 71.01 H new ATOM 0 HE2 TYR A 100 -8.014 -2.400 -16.295 1.00 23.33 H new ATOM 0 HH TYR A 100 -9.597 -1.054 -17.071 1.00 41.24 H new ATOM 1690 N LEU A 101 -6.549 -5.512 -11.390 1.00 70.45 N ATOM 1691 CA LEU A 101 -6.431 -6.787 -12.094 1.00 74.12 C ATOM 1692 C LEU A 101 -7.330 -7.898 -11.569 1.00 21.51 C ATOM 1693 O LEU A 101 -8.115 -8.457 -12.338 1.00 23.33 O ATOM 1694 CB LEU A 101 -4.983 -7.275 -12.150 1.00 44.20 C ATOM 1695 CG LEU A 101 -4.013 -6.425 -12.986 1.00 1.52 C ATOM 1696 CD1 LEU A 101 -2.613 -6.993 -12.932 1.00 72.50 C ATOM 1697 CD2 LEU A 101 -4.485 -6.329 -14.435 1.00 40.54 C ATOM 0 H LEU A 101 -5.813 -5.344 -10.705 1.00 70.45 H new ATOM 0 HA LEU A 101 -6.783 -6.562 -13.101 1.00 74.12 H new ATOM 0 HB2 LEU A 101 -4.600 -7.329 -11.131 1.00 44.20 H new ATOM 0 HB3 LEU A 101 -4.979 -8.290 -12.547 1.00 44.20 H new ATOM 0 HG LEU A 101 -3.997 -5.422 -12.558 1.00 1.52 H new ATOM 0 HD11 LEU A 101 -1.946 -6.374 -13.531 1.00 72.50 H new ATOM 0 HD12 LEU A 101 -2.265 -7.006 -11.899 1.00 72.50 H new ATOM 0 HD13 LEU A 101 -2.617 -8.009 -13.327 1.00 72.50 H new ATOM 0 HD21 LEU A 101 -3.783 -5.723 -15.007 1.00 40.54 H new ATOM 0 HD22 LEU A 101 -4.538 -7.328 -14.867 1.00 40.54 H new ATOM 0 HD23 LEU A 101 -5.472 -5.868 -14.466 1.00 40.54 H new ATOM 1709 N ASN A 102 -7.235 -8.247 -10.285 1.00 14.33 N ATOM 1710 CA ASN A 102 -8.029 -9.402 -9.811 1.00 4.44 C ATOM 1711 C ASN A 102 -8.402 -9.355 -8.332 1.00 61.35 C ATOM 1712 O ASN A 102 -9.573 -9.167 -7.999 1.00 41.21 O ATOM 1713 CB ASN A 102 -7.320 -10.732 -10.120 1.00 23.31 C ATOM 1714 CG ASN A 102 -8.124 -11.951 -9.679 1.00 51.23 C ATOM 1715 OD1 ASN A 102 -9.352 -11.940 -9.682 1.00 13.04 O ATOM 1716 ND2 ASN A 102 -7.440 -13.000 -9.302 1.00 72.24 N ATOM 0 H ASN A 102 -6.656 -7.785 -9.584 1.00 14.33 H new ATOM 0 HA ASN A 102 -8.964 -9.336 -10.367 1.00 4.44 H new ATOM 0 HB2 ASN A 102 -7.131 -10.796 -11.192 1.00 23.31 H new ATOM 0 HB3 ASN A 102 -6.350 -10.744 -9.624 1.00 23.31 H new ATOM 0 HD21 ASN A 102 -7.926 -13.844 -8.998 1.00 72.24 H new ATOM 0 HD22 ASN A 102 -6.420 -12.975 -9.312 1.00 72.24 H new ATOM 1723 N GLN A 103 -7.415 -9.514 -7.435 1.00 61.24 N ATOM 1724 CA GLN A 103 -7.722 -9.629 -5.989 1.00 64.11 C ATOM 1725 C GLN A 103 -8.128 -8.353 -5.359 1.00 13.52 C ATOM 1726 O GLN A 103 -8.535 -8.340 -4.194 1.00 24.12 O ATOM 1727 CB GLN A 103 -6.600 -10.240 -5.184 1.00 43.22 C ATOM 1728 CG GLN A 103 -6.406 -11.698 -5.423 1.00 54.42 C ATOM 1729 CD GLN A 103 -5.467 -12.308 -4.387 1.00 43.30 C ATOM 1730 OE1 GLN A 103 -5.369 -11.824 -3.255 1.00 64.31 O ATOM 1731 NE2 GLN A 103 -4.822 -13.384 -4.732 1.00 23.31 N ATOM 0 H GLN A 103 -6.424 -9.565 -7.670 1.00 61.24 H new ATOM 0 HA GLN A 103 -8.576 -10.306 -5.968 1.00 64.11 H new ATOM 0 HB2 GLN A 103 -5.672 -9.717 -5.418 1.00 43.22 H new ATOM 0 HB3 GLN A 103 -6.798 -10.079 -4.124 1.00 43.22 H new ATOM 0 HG2 GLN A 103 -7.370 -12.206 -5.388 1.00 54.42 H new ATOM 0 HG3 GLN A 103 -6.000 -11.854 -6.422 1.00 54.42 H new ATOM 0 HE21 GLN A 103 -4.924 -13.759 -5.675 1.00 23.31 H new ATOM 0 HE22 GLN A 103 -4.215 -13.852 -4.060 1.00 23.31 H new ATOM 1740 N GLU A 104 -8.038 -7.307 -6.114 1.00 3.13 N ATOM 1741 CA GLU A 104 -8.326 -5.968 -5.644 1.00 40.13 C ATOM 1742 C GLU A 104 -7.278 -5.639 -4.571 1.00 22.13 C ATOM 1743 O GLU A 104 -6.108 -5.503 -4.894 1.00 35.22 O ATOM 1744 CB GLU A 104 -9.789 -5.838 -5.131 1.00 52.40 C ATOM 1745 CG GLU A 104 -10.827 -6.254 -6.177 1.00 44.35 C ATOM 1746 CD GLU A 104 -12.234 -6.339 -5.631 1.00 55.21 C ATOM 1747 OE1 GLU A 104 -12.529 -7.310 -4.882 1.00 54.51 O ATOM 1748 OE2 GLU A 104 -13.074 -5.487 -5.970 1.00 14.33 O ATOM 0 H GLU A 104 -7.758 -7.347 -7.094 1.00 3.13 H new ATOM 0 HA GLU A 104 -8.258 -5.245 -6.456 1.00 40.13 H new ATOM 0 HB2 GLU A 104 -9.912 -6.453 -4.240 1.00 52.40 H new ATOM 0 HB3 GLU A 104 -9.974 -4.806 -4.834 1.00 52.40 H new ATOM 0 HG2 GLU A 104 -10.808 -5.540 -7.000 1.00 44.35 H new ATOM 0 HG3 GLU A 104 -10.547 -7.223 -6.590 1.00 44.35 H new ATOM 1755 N VAL A 105 -7.652 -5.578 -3.326 1.00 32.33 N ATOM 1756 CA VAL A 105 -6.646 -5.443 -2.312 1.00 53.25 C ATOM 1757 C VAL A 105 -6.187 -6.857 -1.922 1.00 72.32 C ATOM 1758 O VAL A 105 -6.996 -7.664 -1.450 1.00 24.40 O ATOM 1759 CB VAL A 105 -7.097 -4.585 -1.075 1.00 54.54 C ATOM 1760 CG1 VAL A 105 -8.373 -5.118 -0.458 1.00 13.42 C ATOM 1761 CG2 VAL A 105 -5.983 -4.541 -0.028 1.00 21.12 C ATOM 0 H VAL A 105 -8.616 -5.618 -2.994 1.00 32.33 H new ATOM 0 HA VAL A 105 -5.809 -4.875 -2.718 1.00 53.25 H new ATOM 0 HB VAL A 105 -7.298 -3.574 -1.430 1.00 54.54 H new ATOM 0 HG11 VAL A 105 -8.652 -4.498 0.394 1.00 13.42 H new ATOM 0 HG12 VAL A 105 -9.172 -5.097 -1.199 1.00 13.42 H new ATOM 0 HG13 VAL A 105 -8.215 -6.144 -0.124 1.00 13.42 H new ATOM 0 HG21 VAL A 105 -6.308 -3.944 0.824 1.00 21.12 H new ATOM 0 HG22 VAL A 105 -5.756 -5.554 0.305 1.00 21.12 H new ATOM 0 HG23 VAL A 105 -5.090 -4.094 -0.465 1.00 21.12 H new ATOM 1771 N PRO A 106 -4.891 -7.185 -2.187 1.00 33.50 N ATOM 1772 CA PRO A 106 -4.320 -8.521 -1.965 1.00 21.10 C ATOM 1773 C PRO A 106 -4.742 -9.154 -0.651 1.00 25.32 C ATOM 1774 O PRO A 106 -4.507 -8.594 0.429 1.00 34.54 O ATOM 1775 CB PRO A 106 -2.821 -8.258 -1.963 1.00 24.22 C ATOM 1776 CG PRO A 106 -2.651 -7.119 -2.897 1.00 51.04 C ATOM 1777 CD PRO A 106 -3.875 -6.253 -2.732 1.00 35.44 C ATOM 0 HA PRO A 106 -4.658 -9.226 -2.724 1.00 21.10 H new ATOM 0 HB2 PRO A 106 -2.461 -8.011 -0.964 1.00 24.22 H new ATOM 0 HB3 PRO A 106 -2.263 -9.133 -2.296 1.00 24.22 H new ATOM 0 HG2 PRO A 106 -1.744 -6.559 -2.667 1.00 51.04 H new ATOM 0 HG3 PRO A 106 -2.558 -7.469 -3.925 1.00 51.04 H new ATOM 0 HD2 PRO A 106 -3.689 -5.421 -2.053 1.00 35.44 H new ATOM 0 HD3 PRO A 106 -4.193 -5.824 -3.682 1.00 35.44 H new ATOM 1785 N LYS A 107 -5.347 -10.335 -0.753 1.00 52.25 N ATOM 1786 CA LYS A 107 -5.851 -11.089 0.392 1.00 53.52 C ATOM 1787 C LYS A 107 -4.728 -11.362 1.390 1.00 32.13 C ATOM 1788 O LYS A 107 -4.944 -11.447 2.595 1.00 31.33 O ATOM 1789 CB LYS A 107 -6.545 -12.384 -0.132 1.00 55.14 C ATOM 1790 CG LYS A 107 -7.191 -13.326 0.908 1.00 65.32 C ATOM 1791 CD LYS A 107 -6.202 -14.262 1.616 1.00 62.30 C ATOM 1792 CE LYS A 107 -5.524 -15.216 0.628 1.00 73.02 C ATOM 1793 NZ LYS A 107 -4.708 -16.245 1.311 1.00 74.34 N ATOM 0 H LYS A 107 -5.503 -10.802 -1.646 1.00 52.25 H new ATOM 0 HA LYS A 107 -6.596 -10.511 0.939 1.00 53.52 H new ATOM 0 HB2 LYS A 107 -7.318 -12.086 -0.840 1.00 55.14 H new ATOM 0 HB3 LYS A 107 -5.805 -12.958 -0.690 1.00 55.14 H new ATOM 0 HG2 LYS A 107 -7.702 -12.723 1.658 1.00 65.32 H new ATOM 0 HG3 LYS A 107 -7.951 -13.929 0.411 1.00 65.32 H new ATOM 0 HD2 LYS A 107 -5.444 -13.670 2.130 1.00 62.30 H new ATOM 0 HD3 LYS A 107 -6.727 -14.839 2.378 1.00 62.30 H new ATOM 0 HE2 LYS A 107 -6.284 -15.704 0.018 1.00 73.02 H new ATOM 0 HE3 LYS A 107 -4.890 -14.644 -0.050 1.00 73.02 H new ATOM 0 HZ1 LYS A 107 -4.394 -16.955 0.619 1.00 74.34 H new ATOM 0 HZ2 LYS A 107 -3.878 -15.796 1.747 1.00 74.34 H new ATOM 0 HZ3 LYS A 107 -5.278 -16.708 2.047 1.00 74.34 H new ATOM 1807 N GLU A 108 -3.528 -11.462 0.887 1.00 61.22 N ATOM 1808 CA GLU A 108 -2.385 -11.677 1.724 1.00 33.23 C ATOM 1809 C GLU A 108 -1.973 -10.456 2.553 1.00 5.15 C ATOM 1810 O GLU A 108 -1.228 -10.590 3.516 1.00 73.11 O ATOM 1811 CB GLU A 108 -1.250 -12.392 0.997 1.00 21.43 C ATOM 1812 CG GLU A 108 -1.687 -13.799 0.642 1.00 35.23 C ATOM 1813 CD GLU A 108 -0.669 -14.648 -0.061 1.00 23.20 C ATOM 1814 OE1 GLU A 108 -0.258 -14.315 -1.165 1.00 33.12 O ATOM 1815 OE2 GLU A 108 -0.258 -15.694 0.518 1.00 54.12 O ATOM 0 H GLU A 108 -3.318 -11.397 -0.109 1.00 61.22 H new ATOM 0 HA GLU A 108 -2.703 -12.383 2.491 1.00 33.23 H new ATOM 0 HB2 GLU A 108 -0.980 -11.845 0.094 1.00 21.43 H new ATOM 0 HB3 GLU A 108 -0.362 -12.424 1.628 1.00 21.43 H new ATOM 0 HG2 GLU A 108 -1.984 -14.308 1.559 1.00 35.23 H new ATOM 0 HG3 GLU A 108 -2.574 -13.734 0.012 1.00 35.23 H new ATOM 1822 N LEU A 109 -2.483 -9.255 2.204 1.00 61.30 N ATOM 1823 CA LEU A 109 -2.227 -8.094 3.040 1.00 64.30 C ATOM 1824 C LEU A 109 -3.124 -8.237 4.243 1.00 4.24 C ATOM 1825 O LEU A 109 -2.766 -7.878 5.353 1.00 71.30 O ATOM 1826 CB LEU A 109 -2.528 -6.770 2.318 1.00 5.10 C ATOM 1827 CG LEU A 109 -2.087 -5.493 3.024 1.00 73.33 C ATOM 1828 CD1 LEU A 109 -0.571 -5.497 3.222 1.00 35.13 C ATOM 1829 CD2 LEU A 109 -2.508 -4.271 2.218 1.00 32.22 C ATOM 0 H LEU A 109 -3.053 -9.080 1.376 1.00 61.30 H new ATOM 0 HA LEU A 109 -1.171 -8.058 3.309 1.00 64.30 H new ATOM 0 HB2 LEU A 109 -2.051 -6.800 1.338 1.00 5.10 H new ATOM 0 HB3 LEU A 109 -3.603 -6.711 2.148 1.00 5.10 H new ATOM 0 HG LEU A 109 -2.569 -5.450 4.001 1.00 73.33 H new ATOM 0 HD11 LEU A 109 -0.268 -4.580 3.727 1.00 35.13 H new ATOM 0 HD12 LEU A 109 -0.286 -6.357 3.828 1.00 35.13 H new ATOM 0 HD13 LEU A 109 -0.078 -5.557 2.252 1.00 35.13 H new ATOM 0 HD21 LEU A 109 -2.187 -3.366 2.734 1.00 32.22 H new ATOM 0 HD22 LEU A 109 -2.046 -4.309 1.231 1.00 32.22 H new ATOM 0 HD23 LEU A 109 -3.593 -4.262 2.111 1.00 32.22 H new ATOM 1841 N LEU A 110 -4.289 -8.822 4.002 1.00 23.03 N ATOM 1842 CA LEU A 110 -5.242 -9.130 5.046 1.00 63.50 C ATOM 1843 C LEU A 110 -4.641 -10.113 6.027 1.00 14.22 C ATOM 1844 O LEU A 110 -4.844 -10.003 7.222 1.00 41.22 O ATOM 1845 CB LEU A 110 -6.608 -9.638 4.488 1.00 62.23 C ATOM 1846 CG LEU A 110 -7.540 -8.612 3.772 1.00 2.22 C ATOM 1847 CD1 LEU A 110 -6.895 -7.975 2.553 1.00 53.24 C ATOM 1848 CD2 LEU A 110 -8.857 -9.268 3.385 1.00 73.24 C ATOM 0 H LEU A 110 -4.597 -9.096 3.069 1.00 23.03 H new ATOM 0 HA LEU A 110 -5.462 -8.201 5.571 1.00 63.50 H new ATOM 0 HB2 LEU A 110 -6.401 -10.446 3.786 1.00 62.23 H new ATOM 0 HB3 LEU A 110 -7.166 -10.072 5.318 1.00 62.23 H new ATOM 0 HG LEU A 110 -7.727 -7.811 4.487 1.00 2.22 H new ATOM 0 HD11 LEU A 110 -7.592 -7.271 2.098 1.00 53.24 H new ATOM 0 HD12 LEU A 110 -5.991 -7.446 2.854 1.00 53.24 H new ATOM 0 HD13 LEU A 110 -6.639 -8.750 1.830 1.00 53.24 H new ATOM 0 HD21 LEU A 110 -9.495 -8.538 2.887 1.00 73.24 H new ATOM 0 HD22 LEU A 110 -8.664 -10.102 2.710 1.00 73.24 H new ATOM 0 HD23 LEU A 110 -9.358 -9.635 4.281 1.00 73.24 H new ATOM 1860 N GLU A 111 -3.897 -11.054 5.522 1.00 24.54 N ATOM 1861 CA GLU A 111 -3.217 -12.004 6.372 1.00 72.12 C ATOM 1862 C GLU A 111 -1.951 -11.411 7.019 1.00 24.42 C ATOM 1863 O GLU A 111 -1.511 -11.875 8.054 1.00 44.42 O ATOM 1864 CB GLU A 111 -2.878 -13.276 5.609 1.00 35.45 C ATOM 1865 CG GLU A 111 -4.084 -13.953 4.992 1.00 51.34 C ATOM 1866 CD GLU A 111 -3.746 -15.283 4.385 1.00 65.14 C ATOM 1867 OE1 GLU A 111 -3.214 -15.320 3.265 1.00 24.30 O ATOM 1868 OE2 GLU A 111 -4.001 -16.316 5.032 1.00 1.41 O ATOM 0 H GLU A 111 -3.742 -11.189 4.523 1.00 24.54 H new ATOM 0 HA GLU A 111 -3.908 -12.252 7.178 1.00 72.12 H new ATOM 0 HB2 GLU A 111 -2.163 -13.038 4.821 1.00 35.45 H new ATOM 0 HB3 GLU A 111 -2.386 -13.975 6.285 1.00 35.45 H new ATOM 0 HG2 GLU A 111 -4.850 -14.089 5.755 1.00 51.34 H new ATOM 0 HG3 GLU A 111 -4.509 -13.304 4.226 1.00 51.34 H new ATOM 1875 N PHE A 112 -1.394 -10.363 6.422 1.00 42.12 N ATOM 1876 CA PHE A 112 -0.097 -9.825 6.891 1.00 52.22 C ATOM 1877 C PHE A 112 -0.292 -8.724 7.904 1.00 73.11 C ATOM 1878 O PHE A 112 0.240 -8.757 9.009 1.00 43.42 O ATOM 1879 CB PHE A 112 0.706 -9.265 5.695 1.00 2.32 C ATOM 1880 CG PHE A 112 2.054 -8.683 6.055 1.00 25.34 C ATOM 1881 CD1 PHE A 112 3.170 -9.490 6.144 1.00 65.23 C ATOM 1882 CD2 PHE A 112 2.197 -7.323 6.298 1.00 71.04 C ATOM 1883 CE1 PHE A 112 4.404 -8.956 6.468 1.00 15.22 C ATOM 1884 CE2 PHE A 112 3.421 -6.787 6.623 1.00 44.00 C ATOM 1885 CZ PHE A 112 4.527 -7.604 6.710 1.00 43.42 C ATOM 0 H PHE A 112 -1.800 -9.869 5.628 1.00 42.12 H new ATOM 0 HA PHE A 112 0.448 -10.643 7.362 1.00 52.22 H new ATOM 0 HB2 PHE A 112 0.853 -10.064 4.968 1.00 2.32 H new ATOM 0 HB3 PHE A 112 0.112 -8.494 5.205 1.00 2.32 H new ATOM 0 HD1 PHE A 112 3.079 -10.550 5.959 1.00 65.23 H new ATOM 0 HD2 PHE A 112 1.334 -6.677 6.231 1.00 71.04 H new ATOM 0 HE1 PHE A 112 5.271 -9.597 6.531 1.00 15.22 H new ATOM 0 HE2 PHE A 112 3.515 -5.727 6.810 1.00 44.00 H new ATOM 0 HZ PHE A 112 5.489 -7.186 6.967 1.00 43.42 H new ATOM 1895 N LEU A 113 -1.063 -7.777 7.503 1.00 31.50 N ATOM 1896 CA LEU A 113 -1.293 -6.549 8.215 1.00 3.05 C ATOM 1897 C LEU A 113 -2.493 -6.778 9.150 1.00 31.11 C ATOM 1898 O LEU A 113 -2.801 -5.971 10.033 1.00 11.41 O ATOM 1899 CB LEU A 113 -1.649 -5.566 7.106 1.00 22.41 C ATOM 1900 CG LEU A 113 -1.439 -4.070 7.255 1.00 42.11 C ATOM 1901 CD1 LEU A 113 -1.930 -3.426 5.976 1.00 35.15 C ATOM 1902 CD2 LEU A 113 -2.133 -3.468 8.473 1.00 63.31 C ATOM 0 H LEU A 113 -1.581 -7.830 6.626 1.00 31.50 H new ATOM 0 HA LEU A 113 -0.456 -6.198 8.818 1.00 3.05 H new ATOM 0 HB2 LEU A 113 -1.091 -5.875 6.222 1.00 22.41 H new ATOM 0 HB3 LEU A 113 -2.706 -5.714 6.883 1.00 22.41 H new ATOM 0 HG LEU A 113 -0.379 -3.879 7.422 1.00 42.11 H new ATOM 0 HD11 LEU A 113 -1.798 -2.346 6.039 1.00 35.15 H new ATOM 0 HD12 LEU A 113 -1.360 -3.813 5.132 1.00 35.15 H new ATOM 0 HD13 LEU A 113 -2.986 -3.655 5.836 1.00 35.15 H new ATOM 0 HD21 LEU A 113 -1.936 -2.397 8.511 1.00 63.31 H new ATOM 0 HD22 LEU A 113 -3.207 -3.638 8.400 1.00 63.31 H new ATOM 0 HD23 LEU A 113 -1.752 -3.939 9.379 1.00 63.31 H new ATOM 1914 N ARG A 114 -3.123 -7.923 8.947 1.00 54.02 N ATOM 1915 CA ARG A 114 -4.323 -8.334 9.634 1.00 73.21 C ATOM 1916 C ARG A 114 -5.479 -7.421 9.260 1.00 51.13 C ATOM 1917 O ARG A 114 -5.997 -6.664 10.074 1.00 4.20 O ATOM 1918 CB ARG A 114 -4.160 -8.490 11.161 1.00 63.20 C ATOM 1919 CG ARG A 114 -5.391 -9.080 11.825 1.00 31.55 C ATOM 1920 CD ARG A 114 -5.246 -9.198 13.323 1.00 30.45 C ATOM 1921 NE ARG A 114 -6.448 -9.802 13.916 1.00 35.10 N ATOM 1922 CZ ARG A 114 -6.776 -9.761 15.211 1.00 73.21 C ATOM 1923 NH1 ARG A 114 -5.992 -9.131 16.081 1.00 25.41 N ATOM 1924 NH2 ARG A 114 -7.896 -10.344 15.628 1.00 64.43 N ATOM 0 H ARG A 114 -2.795 -8.614 8.272 1.00 54.02 H new ATOM 0 HA ARG A 114 -4.550 -9.343 9.291 1.00 73.21 H new ATOM 0 HB2 ARG A 114 -3.300 -9.128 11.367 1.00 63.20 H new ATOM 0 HB3 ARG A 114 -3.947 -7.516 11.601 1.00 63.20 H new ATOM 0 HG2 ARG A 114 -6.256 -8.457 11.596 1.00 31.55 H new ATOM 0 HG3 ARG A 114 -5.588 -10.066 11.405 1.00 31.55 H new ATOM 0 HD2 ARG A 114 -4.373 -9.805 13.562 1.00 30.45 H new ATOM 0 HD3 ARG A 114 -5.077 -8.212 13.756 1.00 30.45 H new ATOM 0 HE ARG A 114 -7.084 -10.293 13.287 1.00 35.10 H new ATOM 0 HH11 ARG A 114 -5.137 -8.677 15.761 1.00 25.41 H new ATOM 0 HH12 ARG A 114 -6.246 -9.102 17.068 1.00 25.41 H new ATOM 0 HH21 ARG A 114 -8.502 -10.821 14.960 1.00 64.43 H new ATOM 0 HH22 ARG A 114 -8.149 -10.315 16.616 1.00 64.43 H new ATOM 1938 N LEU A 115 -5.802 -7.429 7.998 1.00 14.24 N ATOM 1939 CA LEU A 115 -6.890 -6.633 7.493 1.00 75.00 C ATOM 1940 C LEU A 115 -8.123 -7.492 7.437 1.00 10.54 C ATOM 1941 O LEU A 115 -8.039 -8.670 7.100 1.00 10.30 O ATOM 1942 CB LEU A 115 -6.588 -6.046 6.077 1.00 4.02 C ATOM 1943 CG LEU A 115 -5.363 -5.216 5.922 1.00 23.13 C ATOM 1944 CD1 LEU A 115 -5.307 -4.610 4.530 1.00 0.20 C ATOM 1945 CD2 LEU A 115 -5.278 -4.194 7.010 1.00 64.43 C ATOM 0 H LEU A 115 -5.322 -7.985 7.290 1.00 14.24 H new ATOM 0 HA LEU A 115 -7.036 -5.786 8.164 1.00 75.00 H new ATOM 0 HB2 LEU A 115 -6.521 -6.878 5.376 1.00 4.02 H new ATOM 0 HB3 LEU A 115 -7.443 -5.442 5.774 1.00 4.02 H new ATOM 0 HG LEU A 115 -4.482 -5.849 6.024 1.00 23.13 H new ATOM 0 HD11 LEU A 115 -4.405 -4.006 4.432 1.00 0.20 H new ATOM 0 HD12 LEU A 115 -5.292 -5.407 3.787 1.00 0.20 H new ATOM 0 HD13 LEU A 115 -6.184 -3.982 4.371 1.00 0.20 H new ATOM 0 HD21 LEU A 115 -4.375 -3.597 6.879 1.00 64.43 H new ATOM 0 HD22 LEU A 115 -6.152 -3.544 6.968 1.00 64.43 H new ATOM 0 HD23 LEU A 115 -5.245 -4.695 7.978 1.00 64.43 H new ATOM 1957 N ARG A 116 -9.240 -6.946 7.797 1.00 41.02 N ATOM 1958 CA ARG A 116 -10.475 -7.679 7.730 1.00 33.33 C ATOM 1959 C ARG A 116 -11.413 -6.949 6.811 1.00 70.11 C ATOM 1960 O ARG A 116 -11.539 -5.725 6.900 1.00 34.53 O ATOM 1961 CB ARG A 116 -11.091 -7.893 9.118 1.00 34.32 C ATOM 1962 CG ARG A 116 -10.168 -8.637 10.082 1.00 64.51 C ATOM 1963 CD ARG A 116 -10.839 -8.923 11.413 1.00 24.24 C ATOM 1964 NE ARG A 116 -11.959 -9.870 11.285 1.00 40.21 N ATOM 1965 CZ ARG A 116 -12.715 -10.307 12.303 1.00 35.23 C ATOM 1966 NH1 ARG A 116 -12.526 -9.836 13.530 1.00 1.21 N ATOM 1967 NH2 ARG A 116 -13.672 -11.200 12.080 1.00 64.14 N ATOM 0 H ARG A 116 -9.328 -5.990 8.143 1.00 41.02 H new ATOM 0 HA ARG A 116 -10.281 -8.676 7.334 1.00 33.33 H new ATOM 0 HB2 ARG A 116 -11.348 -6.924 9.547 1.00 34.32 H new ATOM 0 HB3 ARG A 116 -12.021 -8.452 9.013 1.00 34.32 H new ATOM 0 HG2 ARG A 116 -9.852 -9.576 9.628 1.00 64.51 H new ATOM 0 HG3 ARG A 116 -9.268 -8.045 10.250 1.00 64.51 H new ATOM 0 HD2 ARG A 116 -10.103 -9.327 12.108 1.00 24.24 H new ATOM 0 HD3 ARG A 116 -11.203 -7.989 11.841 1.00 24.24 H new ATOM 0 HE ARG A 116 -12.176 -10.220 10.352 1.00 40.21 H new ATOM 0 HH11 ARG A 116 -11.803 -9.138 13.702 1.00 1.21 H new ATOM 0 HH12 ARG A 116 -13.104 -10.172 14.300 1.00 1.21 H new ATOM 0 HH21 ARG A 116 -13.831 -11.552 11.136 1.00 64.14 H new ATOM 0 HH22 ARG A 116 -14.248 -11.534 12.853 1.00 64.14 H new ATOM 1981 N HIS A 117 -12.053 -7.701 5.925 1.00 12.34 N ATOM 1982 CA HIS A 117 -12.923 -7.180 4.865 1.00 43.30 C ATOM 1983 C HIS A 117 -12.096 -6.453 3.820 1.00 12.11 C ATOM 1984 O HIS A 117 -11.726 -7.033 2.803 1.00 73.23 O ATOM 1985 CB HIS A 117 -14.063 -6.273 5.395 1.00 22.13 C ATOM 1986 CG HIS A 117 -14.995 -6.952 6.335 1.00 25.51 C ATOM 1987 ND1 HIS A 117 -15.092 -6.626 7.664 1.00 53.53 N ATOM 1988 CD2 HIS A 117 -15.897 -7.923 6.126 1.00 20.31 C ATOM 1989 CE1 HIS A 117 -16.014 -7.368 8.224 1.00 74.11 C ATOM 1990 NE2 HIS A 117 -16.517 -8.164 7.313 1.00 45.33 N ATOM 0 H HIS A 117 -11.983 -8.719 5.919 1.00 12.34 H new ATOM 0 HA HIS A 117 -13.412 -8.041 4.408 1.00 43.30 H new ATOM 0 HB2 HIS A 117 -13.623 -5.411 5.896 1.00 22.13 H new ATOM 0 HB3 HIS A 117 -14.633 -5.892 4.548 1.00 22.13 H new ATOM 0 HD2 HIS A 117 -16.095 -8.421 5.188 1.00 20.31 H new ATOM 0 HE1 HIS A 117 -16.310 -7.330 9.262 1.00 74.11 H new ATOM 0 HE2 HIS A 117 -17.254 -8.852 7.468 1.00 45.33 H new ATOM 1999 N PHE A 118 -11.776 -5.216 4.114 1.00 14.23 N ATOM 2000 CA PHE A 118 -10.989 -4.336 3.276 1.00 34.34 C ATOM 2001 C PHE A 118 -10.410 -3.289 4.197 1.00 3.34 C ATOM 2002 O PHE A 118 -10.960 -3.082 5.289 1.00 20.35 O ATOM 2003 CB PHE A 118 -11.866 -3.608 2.220 1.00 22.23 C ATOM 2004 CG PHE A 118 -12.535 -4.479 1.198 1.00 52.13 C ATOM 2005 CD1 PHE A 118 -11.802 -5.051 0.180 1.00 0.43 C ATOM 2006 CD2 PHE A 118 -13.898 -4.706 1.247 1.00 0.12 C ATOM 2007 CE1 PHE A 118 -12.411 -5.839 -0.776 1.00 11.34 C ATOM 2008 CE2 PHE A 118 -14.513 -5.492 0.299 1.00 0.53 C ATOM 2009 CZ PHE A 118 -13.768 -6.061 -0.717 1.00 42.33 C ATOM 0 H PHE A 118 -12.070 -4.772 4.984 1.00 14.23 H new ATOM 0 HA PHE A 118 -10.233 -4.914 2.745 1.00 34.34 H new ATOM 0 HB2 PHE A 118 -12.636 -3.043 2.745 1.00 22.23 H new ATOM 0 HB3 PHE A 118 -11.241 -2.884 1.697 1.00 22.23 H new ATOM 0 HD1 PHE A 118 -10.737 -4.880 0.130 1.00 0.43 H new ATOM 0 HD2 PHE A 118 -14.486 -4.262 2.037 1.00 0.12 H new ATOM 0 HE1 PHE A 118 -11.824 -6.280 -1.568 1.00 11.34 H new ATOM 0 HE2 PHE A 118 -15.578 -5.664 0.349 1.00 0.53 H new ATOM 0 HZ PHE A 118 -14.249 -6.678 -1.462 1.00 42.33 H new ATOM 2019 N PRO A 119 -9.299 -2.636 3.834 1.00 3.22 N ATOM 2020 CA PRO A 119 -8.782 -1.544 4.624 1.00 22.11 C ATOM 2021 C PRO A 119 -9.651 -0.300 4.436 1.00 43.40 C ATOM 2022 O PRO A 119 -9.466 0.478 3.496 1.00 2.24 O ATOM 2023 CB PRO A 119 -7.362 -1.322 4.094 1.00 10.14 C ATOM 2024 CG PRO A 119 -7.375 -1.876 2.705 1.00 14.44 C ATOM 2025 CD PRO A 119 -8.470 -2.916 2.648 1.00 72.33 C ATOM 0 HA PRO A 119 -8.783 -1.757 5.693 1.00 22.11 H new ATOM 0 HB2 PRO A 119 -7.102 -0.263 4.094 1.00 10.14 H new ATOM 0 HB3 PRO A 119 -6.625 -1.831 4.715 1.00 10.14 H new ATOM 0 HG2 PRO A 119 -7.557 -1.085 1.977 1.00 14.44 H new ATOM 0 HG3 PRO A 119 -6.410 -2.319 2.459 1.00 14.44 H new ATOM 0 HD2 PRO A 119 -9.050 -2.833 1.729 1.00 72.33 H new ATOM 0 HD3 PRO A 119 -8.061 -3.926 2.678 1.00 72.33 H new ATOM 2033 N THR A 120 -10.621 -0.153 5.292 1.00 24.43 N ATOM 2034 CA THR A 120 -11.565 0.913 5.195 1.00 53.15 C ATOM 2035 C THR A 120 -11.426 1.869 6.365 1.00 30.14 C ATOM 2036 O THR A 120 -10.616 1.643 7.290 1.00 12.15 O ATOM 2037 CB THR A 120 -13.009 0.337 5.177 1.00 51.25 C ATOM 2038 OG1 THR A 120 -13.218 -0.507 6.331 1.00 50.01 O ATOM 2039 CG2 THR A 120 -13.267 -0.468 3.914 1.00 12.40 C ATOM 0 H THR A 120 -10.777 -0.778 6.083 1.00 24.43 H new ATOM 0 HA THR A 120 -11.369 1.457 4.271 1.00 53.15 H new ATOM 0 HB THR A 120 -13.703 1.177 5.200 1.00 51.25 H new ATOM 0 HG1 THR A 120 -14.130 -0.865 6.314 1.00 50.01 H new ATOM 0 HG21 THR A 120 -14.285 -0.857 3.932 1.00 12.40 H new ATOM 0 HG22 THR A 120 -13.139 0.173 3.042 1.00 12.40 H new ATOM 0 HG23 THR A 120 -12.562 -1.298 3.861 1.00 12.40 H new ATOM 2047 N ASP A 121 -12.167 2.940 6.315 1.00 71.04 N ATOM 2048 CA ASP A 121 -12.260 3.854 7.416 1.00 64.31 C ATOM 2049 C ASP A 121 -13.537 3.553 8.157 1.00 42.43 C ATOM 2050 O ASP A 121 -14.540 3.192 7.529 1.00 42.23 O ATOM 2051 CB ASP A 121 -12.229 5.331 6.950 1.00 52.52 C ATOM 2052 CG ASP A 121 -13.362 5.728 6.008 1.00 34.22 C ATOM 2053 OD1 ASP A 121 -13.223 5.506 4.792 1.00 50.15 O ATOM 2054 OD2 ASP A 121 -14.384 6.277 6.475 1.00 53.33 O ATOM 0 H ASP A 121 -12.726 3.204 5.504 1.00 71.04 H new ATOM 0 HA ASP A 121 -11.397 3.722 8.069 1.00 64.31 H new ATOM 0 HB2 ASP A 121 -12.263 5.975 7.828 1.00 52.52 H new ATOM 0 HB3 ASP A 121 -11.278 5.521 6.452 1.00 52.52 H new ATOM 2059 N PRO A 122 -13.518 3.613 9.501 1.00 43.30 N ATOM 2060 CA PRO A 122 -14.717 3.377 10.308 1.00 20.13 C ATOM 2061 C PRO A 122 -15.807 4.377 9.940 1.00 14.31 C ATOM 2062 O PRO A 122 -16.975 4.014 9.764 1.00 25.52 O ATOM 2063 CB PRO A 122 -14.240 3.599 11.759 1.00 31.34 C ATOM 2064 CG PRO A 122 -12.928 4.306 11.644 1.00 53.21 C ATOM 2065 CD PRO A 122 -12.334 3.885 10.333 1.00 55.11 C ATOM 0 HA PRO A 122 -15.143 2.385 10.156 1.00 20.13 H new ATOM 0 HB2 PRO A 122 -14.959 4.195 12.322 1.00 31.34 H new ATOM 0 HB3 PRO A 122 -14.130 2.651 12.285 1.00 31.34 H new ATOM 0 HG2 PRO A 122 -13.065 5.387 11.679 1.00 53.21 H new ATOM 0 HG3 PRO A 122 -12.270 4.041 12.472 1.00 53.21 H new ATOM 0 HD2 PRO A 122 -11.711 4.669 9.903 1.00 55.11 H new ATOM 0 HD3 PRO A 122 -11.705 3.001 10.441 1.00 55.11 H new ATOM 2073 N LYS A 123 -15.393 5.621 9.808 1.00 34.33 N ATOM 2074 CA LYS A 123 -16.231 6.712 9.402 1.00 20.43 C ATOM 2075 C LYS A 123 -15.400 7.972 9.381 1.00 51.01 C ATOM 2076 O LYS A 123 -15.253 8.657 10.408 1.00 11.32 O ATOM 2077 CB LYS A 123 -17.452 6.908 10.324 1.00 22.30 C ATOM 2078 CG LYS A 123 -18.401 7.999 9.861 1.00 22.24 C ATOM 2079 CD LYS A 123 -19.574 8.153 10.806 1.00 52.33 C ATOM 2080 CE LYS A 123 -20.541 9.221 10.315 1.00 33.30 C ATOM 2081 NZ LYS A 123 -21.114 8.886 8.995 1.00 22.01 N ATOM 0 H LYS A 123 -14.429 5.901 9.989 1.00 34.33 H new ATOM 0 HA LYS A 123 -16.623 6.482 8.411 1.00 20.43 H new ATOM 0 HB2 LYS A 123 -17.999 5.968 10.391 1.00 22.30 H new ATOM 0 HB3 LYS A 123 -17.102 7.146 11.329 1.00 22.30 H new ATOM 0 HG2 LYS A 123 -17.863 8.944 9.790 1.00 22.24 H new ATOM 0 HG3 LYS A 123 -18.766 7.764 8.861 1.00 22.24 H new ATOM 0 HD2 LYS A 123 -20.097 7.201 10.899 1.00 52.33 H new ATOM 0 HD3 LYS A 123 -19.212 8.416 11.800 1.00 52.33 H new ATOM 0 HE2 LYS A 123 -21.346 9.341 11.040 1.00 33.30 H new ATOM 0 HE3 LYS A 123 -20.023 10.178 10.253 1.00 33.30 H new ATOM 0 HZ1 LYS A 123 -21.930 9.502 8.805 1.00 22.01 H new ATOM 0 HZ2 LYS A 123 -20.394 9.028 8.258 1.00 22.01 H new ATOM 0 HZ3 LYS A 123 -21.421 7.893 8.992 1.00 22.01 H new ATOM 2095 N ALA A 124 -14.772 8.217 8.276 1.00 73.43 N ATOM 2096 CA ALA A 124 -14.038 9.428 8.093 1.00 75.12 C ATOM 2097 C ALA A 124 -14.979 10.475 7.567 1.00 33.44 C ATOM 2098 O ALA A 124 -15.996 10.144 6.928 1.00 55.21 O ATOM 2099 CB ALA A 124 -12.873 9.221 7.136 1.00 21.13 C ATOM 0 H ALA A 124 -14.753 7.585 7.476 1.00 73.43 H new ATOM 0 HA ALA A 124 -13.618 9.750 9.046 1.00 75.12 H new ATOM 0 HB1 ALA A 124 -12.331 10.159 7.014 1.00 21.13 H new ATOM 0 HB2 ALA A 124 -12.201 8.463 7.539 1.00 21.13 H new ATOM 0 HB3 ALA A 124 -13.251 8.893 6.168 1.00 21.13 H new ATOM 2105 N SER A 125 -14.679 11.709 7.823 1.00 42.00 N ATOM 2106 CA SER A 125 -15.513 12.777 7.385 1.00 11.34 C ATOM 2107 C SER A 125 -15.355 12.959 5.881 1.00 53.45 C ATOM 2108 O SER A 125 -14.388 13.564 5.422 1.00 71.10 O ATOM 2109 CB SER A 125 -15.178 14.076 8.149 1.00 44.45 C ATOM 2110 OG SER A 125 -16.069 15.131 7.811 1.00 3.24 O ATOM 0 H SER A 125 -13.850 12.002 8.341 1.00 42.00 H new ATOM 0 HA SER A 125 -16.554 12.535 7.597 1.00 11.34 H new ATOM 0 HB2 SER A 125 -15.226 13.889 9.222 1.00 44.45 H new ATOM 0 HB3 SER A 125 -14.155 14.377 7.923 1.00 44.45 H new ATOM 0 HG SER A 125 -15.828 15.937 8.314 1.00 3.24 H new ATOM 2116 N ASN A 126 -16.267 12.364 5.134 1.00 53.40 N ATOM 2117 CA ASN A 126 -16.329 12.468 3.682 1.00 52.10 C ATOM 2118 C ASN A 126 -17.608 11.833 3.195 1.00 53.50 C ATOM 2119 O ASN A 126 -17.991 10.767 3.672 1.00 44.45 O ATOM 2120 CB ASN A 126 -15.072 11.886 2.942 1.00 45.14 C ATOM 2121 CG ASN A 126 -14.782 10.378 3.110 1.00 71.42 C ATOM 2122 OD1 ASN A 126 -14.242 9.754 2.207 1.00 55.31 O ATOM 2123 ND2 ASN A 126 -15.082 9.802 4.243 1.00 73.20 N ATOM 0 H ASN A 126 -17.005 11.780 5.527 1.00 53.40 H new ATOM 0 HA ASN A 126 -16.323 13.529 3.433 1.00 52.10 H new ATOM 0 HB2 ASN A 126 -15.183 12.091 1.877 1.00 45.14 H new ATOM 0 HB3 ASN A 126 -14.196 12.437 3.283 1.00 45.14 H new ATOM 0 HD21 ASN A 126 -14.866 8.815 4.386 1.00 73.20 H new ATOM 0 HD22 ASN A 126 -15.532 10.339 4.984 1.00 73.20 H new ATOM 2130 N TRP A 127 -18.283 12.519 2.300 1.00 63.24 N ATOM 2131 CA TRP A 127 -19.556 12.090 1.739 1.00 4.54 C ATOM 2132 C TRP A 127 -19.941 13.043 0.627 1.00 70.12 C ATOM 2133 O TRP A 127 -20.015 14.255 0.838 1.00 70.12 O ATOM 2134 CB TRP A 127 -20.667 12.067 2.821 1.00 12.32 C ATOM 2135 CG TRP A 127 -22.022 11.642 2.309 1.00 31.21 C ATOM 2136 CD1 TRP A 127 -22.464 10.365 2.121 1.00 62.43 C ATOM 2137 CD2 TRP A 127 -23.113 12.500 1.931 1.00 60.32 C ATOM 2138 NE1 TRP A 127 -23.749 10.375 1.643 1.00 70.11 N ATOM 2139 CE2 TRP A 127 -24.174 11.671 1.521 1.00 3.33 C ATOM 2140 CE3 TRP A 127 -23.294 13.889 1.900 1.00 74.33 C ATOM 2141 CZ2 TRP A 127 -25.392 12.179 1.082 1.00 75.40 C ATOM 2142 CZ3 TRP A 127 -24.506 14.391 1.465 1.00 50.03 C ATOM 2143 CH2 TRP A 127 -25.540 13.537 1.063 1.00 12.42 C ATOM 0 H TRP A 127 -17.959 13.412 1.930 1.00 63.24 H new ATOM 0 HA TRP A 127 -19.449 11.077 1.351 1.00 4.54 H new ATOM 0 HB2 TRP A 127 -20.365 11.391 3.621 1.00 12.32 H new ATOM 0 HB3 TRP A 127 -20.752 13.061 3.259 1.00 12.32 H new ATOM 0 HD1 TRP A 127 -21.885 9.475 2.320 1.00 62.43 H new ATOM 0 HE1 TRP A 127 -24.301 9.548 1.415 1.00 70.11 H new ATOM 0 HE3 TRP A 127 -22.502 14.554 2.210 1.00 74.33 H new ATOM 0 HZ2 TRP A 127 -26.191 11.524 0.768 1.00 75.40 H new ATOM 0 HZ3 TRP A 127 -24.658 15.460 1.435 1.00 50.03 H new ATOM 0 HH2 TRP A 127 -26.476 13.961 0.730 1.00 12.42 H new ATOM 2154 N GLY A 128 -20.157 12.512 -0.535 1.00 42.12 N ATOM 2155 CA GLY A 128 -20.552 13.308 -1.658 1.00 61.22 C ATOM 2156 C GLY A 128 -20.470 12.490 -2.901 1.00 71.22 C ATOM 2157 O GLY A 128 -19.610 11.588 -2.956 1.00 39.25 O ATOM 2158 OXT GLY A 128 -21.271 12.686 -3.821 1.00 39.25 O ATOM 0 H GLY A 128 -20.065 11.516 -0.734 1.00 42.12 H new ATOM 0 HA2 GLY A 128 -21.569 13.675 -1.518 1.00 61.22 H new ATOM 0 HA3 GLY A 128 -19.907 14.182 -1.742 1.00 61.22 H new TER 2162 GLY A 128