USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 847 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 79 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 ASN : amide:sc= -3.67! K(o=-3.7!,f=-2.5) USER MOD Set 3.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 24 SER OG : rot 180:sc= -0.201 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0952 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.0999 X(o=-0.1,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.11 K(o=0.11,f=-1.7!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.557 K(o=-0.56,f=-1.6) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 45:sc= 0.125 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.663 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc=-0.00878 X(o=-0.0088,f=-0.039) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 33:sc= 0.433 USER MOD Single : A 100 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 105 THR OG1 : rot 168:sc= 1.17 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.414 -26.085 30.339 1.00 0.00 N ATOM 2 CA GLY A 1 -6.523 -25.201 30.029 1.00 0.00 C ATOM 3 C GLY A 1 -6.298 -24.415 28.753 1.00 0.00 C ATOM 4 O GLY A 1 -6.133 -23.196 28.787 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.616 -26.600 31.220 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.284 -26.765 29.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 -4.546 -25.525 30.457 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.436 -25.788 29.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.674 -24.508 30.857 1.00 0.00 H new ATOM 8 N SER A 2 -6.291 -25.115 27.622 1.00 0.00 N ATOM 9 CA SER A 2 -6.080 -24.476 26.329 1.00 0.00 C ATOM 10 C SER A 2 -6.517 -25.394 25.191 1.00 0.00 C ATOM 11 O SER A 2 -6.369 -26.613 25.271 1.00 0.00 O ATOM 12 CB SER A 2 -4.607 -24.098 26.157 1.00 0.00 C ATOM 13 OG SER A 2 -3.763 -25.206 26.418 1.00 0.00 O ATOM 0 H SER A 2 -6.429 -26.125 27.576 1.00 0.00 H new ATOM 0 HA SER A 2 -6.686 -23.571 26.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.437 -23.738 25.142 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.357 -23.279 26.832 1.00 0.00 H new ATOM 0 HG SER A 2 -2.827 -24.940 26.300 1.00 0.00 H new ATOM 19 N SER A 3 -7.058 -24.798 24.133 1.00 0.00 N ATOM 20 CA SER A 3 -7.521 -25.561 22.980 1.00 0.00 C ATOM 21 C SER A 3 -6.363 -25.882 22.040 1.00 0.00 C ATOM 22 O SER A 3 -6.153 -27.035 21.667 1.00 0.00 O ATOM 23 CB SER A 3 -8.602 -24.783 22.228 1.00 0.00 C ATOM 24 OG SER A 3 -9.730 -24.550 23.053 1.00 0.00 O ATOM 0 H SER A 3 -7.186 -23.789 24.051 1.00 0.00 H new ATOM 0 HA SER A 3 -7.943 -26.499 23.342 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.197 -23.832 21.884 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.905 -25.340 21.341 1.00 0.00 H new ATOM 0 HG SER A 3 -10.406 -24.050 22.550 1.00 0.00 H new ATOM 30 N GLY A 4 -5.612 -24.852 21.662 1.00 0.00 N ATOM 31 CA GLY A 4 -4.485 -25.043 20.769 1.00 0.00 C ATOM 32 C GLY A 4 -4.761 -24.535 19.368 1.00 0.00 C ATOM 33 O GLY A 4 -5.695 -24.992 18.708 1.00 0.00 O ATOM 0 H GLY A 4 -5.765 -23.888 21.959 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.614 -24.528 21.174 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.236 -26.103 20.725 1.00 0.00 H new ATOM 37 N SER A 5 -3.949 -23.587 18.913 1.00 0.00 N ATOM 38 CA SER A 5 -4.115 -23.012 17.583 1.00 0.00 C ATOM 39 C SER A 5 -2.762 -22.663 16.970 1.00 0.00 C ATOM 40 O SER A 5 -2.021 -21.837 17.503 1.00 0.00 O ATOM 41 CB SER A 5 -4.995 -21.762 17.650 1.00 0.00 C ATOM 42 OG SER A 5 -6.352 -22.105 17.869 1.00 0.00 O ATOM 0 H SER A 5 -3.169 -23.201 19.445 1.00 0.00 H new ATOM 0 HA SER A 5 -4.601 -23.755 16.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.647 -21.111 18.452 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.904 -21.199 16.721 1.00 0.00 H new ATOM 0 HG SER A 5 -6.893 -21.289 17.910 1.00 0.00 H new ATOM 48 N SER A 6 -2.447 -23.298 15.846 1.00 0.00 N ATOM 49 CA SER A 6 -1.182 -23.059 15.161 1.00 0.00 C ATOM 50 C SER A 6 -1.383 -23.014 13.649 1.00 0.00 C ATOM 51 O SER A 6 -1.667 -24.032 13.019 1.00 0.00 O ATOM 52 CB SER A 6 -0.169 -24.147 15.521 1.00 0.00 C ATOM 53 OG SER A 6 1.156 -23.720 15.254 1.00 0.00 O ATOM 0 H SER A 6 -3.051 -23.982 15.390 1.00 0.00 H new ATOM 0 HA SER A 6 -0.797 -22.093 15.487 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.266 -24.404 16.576 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.384 -25.051 14.952 1.00 0.00 H new ATOM 0 HG SER A 6 1.784 -24.433 15.494 1.00 0.00 H new ATOM 59 N GLY A 7 -1.232 -21.825 13.073 1.00 0.00 N ATOM 60 CA GLY A 7 -1.400 -21.669 11.640 1.00 0.00 C ATOM 61 C GLY A 7 -0.698 -20.436 11.105 1.00 0.00 C ATOM 62 O GLY A 7 -1.012 -19.314 11.501 1.00 0.00 O ATOM 0 H GLY A 7 -0.996 -20.968 13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.012 -22.553 11.133 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.463 -21.608 11.406 1.00 0.00 H new ATOM 66 N SER A 8 0.257 -20.645 10.204 1.00 0.00 N ATOM 67 CA SER A 8 1.009 -19.542 9.618 1.00 0.00 C ATOM 68 C SER A 8 0.177 -18.814 8.568 1.00 0.00 C ATOM 69 O SER A 8 -0.317 -19.424 7.619 1.00 0.00 O ATOM 70 CB SER A 8 2.305 -20.058 8.991 1.00 0.00 C ATOM 71 OG SER A 8 3.355 -20.092 9.943 1.00 0.00 O ATOM 0 H SER A 8 0.528 -21.568 9.864 1.00 0.00 H new ATOM 0 HA SER A 8 1.253 -18.838 10.414 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.144 -21.057 8.587 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.588 -19.418 8.155 1.00 0.00 H new ATOM 0 HG SER A 8 4.172 -20.427 9.517 1.00 0.00 H new ATOM 77 N ARG A 9 0.025 -17.506 8.744 1.00 0.00 N ATOM 78 CA ARG A 9 -0.749 -16.694 7.813 1.00 0.00 C ATOM 79 C ARG A 9 -0.194 -15.274 7.739 1.00 0.00 C ATOM 80 O ARG A 9 0.233 -14.695 8.738 1.00 0.00 O ATOM 81 CB ARG A 9 -2.219 -16.656 8.235 1.00 0.00 C ATOM 82 CG ARG A 9 -2.437 -16.106 9.635 1.00 0.00 C ATOM 83 CD ARG A 9 -3.911 -16.102 10.009 1.00 0.00 C ATOM 84 NE ARG A 9 -4.377 -17.426 10.414 1.00 0.00 N ATOM 85 CZ ARG A 9 -5.527 -17.640 11.044 1.00 0.00 C ATOM 86 NH1 ARG A 9 -6.323 -16.622 11.339 1.00 0.00 N ATOM 87 NH2 ARG A 9 -5.881 -18.873 11.379 1.00 0.00 N ATOM 0 H ARG A 9 0.428 -16.985 9.523 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.673 -17.148 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.777 -16.047 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.630 -17.664 8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.880 -16.707 10.354 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.043 -15.091 9.694 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -4.077 -15.395 10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.499 -15.755 9.160 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.787 -18.230 10.201 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.053 -15.672 11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -7.206 -16.788 11.823 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.270 -19.658 11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.764 -19.036 11.863 1.00 0.00 H new ATOM 101 N PRO A 10 -0.199 -14.699 6.527 1.00 0.00 N ATOM 102 CA PRO A 10 0.300 -13.341 6.293 1.00 0.00 C ATOM 103 C PRO A 10 -0.602 -12.278 6.909 1.00 0.00 C ATOM 104 O PRO A 10 -1.810 -12.263 6.674 1.00 0.00 O ATOM 105 CB PRO A 10 0.302 -13.222 4.767 1.00 0.00 C ATOM 106 CG PRO A 10 -0.732 -14.193 4.310 1.00 0.00 C ATOM 107 CD PRO A 10 -0.694 -15.331 5.292 1.00 0.00 C ATOM 0 HA PRO A 10 1.278 -13.182 6.748 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.061 -12.208 4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.281 -13.462 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.719 -13.730 4.287 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.520 -14.542 3.299 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.680 -15.772 5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.033 -16.130 4.956 1.00 0.00 H new ATOM 115 N ARG A 11 -0.007 -11.389 7.699 1.00 0.00 N ATOM 116 CA ARG A 11 -0.758 -10.322 8.350 1.00 0.00 C ATOM 117 C ARG A 11 -0.115 -8.964 8.083 1.00 0.00 C ATOM 118 O ARG A 11 1.040 -8.884 7.662 1.00 0.00 O ATOM 119 CB ARG A 11 -0.839 -10.573 9.856 1.00 0.00 C ATOM 120 CG ARG A 11 -1.748 -11.732 10.233 1.00 0.00 C ATOM 121 CD ARG A 11 -3.213 -11.323 10.204 1.00 0.00 C ATOM 122 NE ARG A 11 -4.057 -12.260 10.941 1.00 0.00 N ATOM 123 CZ ARG A 11 -5.384 -12.213 10.938 1.00 0.00 C ATOM 124 NH1 ARG A 11 -6.016 -11.279 10.240 1.00 0.00 N ATOM 125 NH2 ARG A 11 -6.083 -13.101 11.633 1.00 0.00 N ATOM 0 H ARG A 11 0.992 -11.387 7.903 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.766 -10.315 7.935 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.163 -10.769 10.237 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.195 -9.668 10.348 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.587 -12.561 9.544 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.489 -12.090 11.229 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.320 -10.326 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.553 -11.265 9.170 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.602 -12.991 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.483 -10.595 9.704 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.035 -11.245 10.239 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.601 -13.821 12.171 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.102 -13.063 11.630 1.00 0.00 H new ATOM 139 N LEU A 12 -0.869 -7.899 8.331 1.00 0.00 N ATOM 140 CA LEU A 12 -0.373 -6.544 8.118 1.00 0.00 C ATOM 141 C LEU A 12 0.434 -6.064 9.319 1.00 0.00 C ATOM 142 O LEU A 12 0.337 -6.627 10.410 1.00 0.00 O ATOM 143 CB LEU A 12 -1.539 -5.588 7.858 1.00 0.00 C ATOM 144 CG LEU A 12 -2.006 -5.478 6.406 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.388 -4.847 6.336 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.008 -4.674 5.585 1.00 0.00 C ATOM 0 H LEU A 12 -1.826 -7.948 8.680 1.00 0.00 H new ATOM 0 HA LEU A 12 0.281 -6.556 7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.385 -5.905 8.468 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.252 -4.595 8.203 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.066 -6.482 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.704 -4.777 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.097 -5.462 6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.355 -3.849 6.773 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.356 -4.606 4.554 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.916 -3.672 6.004 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.037 -5.168 5.608 1.00 0.00 H new ATOM 158 N SER A 13 1.230 -5.020 9.112 1.00 0.00 N ATOM 159 CA SER A 13 2.056 -4.465 10.178 1.00 0.00 C ATOM 160 C SER A 13 1.480 -3.144 10.680 1.00 0.00 C ATOM 161 O SER A 13 0.435 -2.694 10.213 1.00 0.00 O ATOM 162 CB SER A 13 3.489 -4.255 9.685 1.00 0.00 C ATOM 163 OG SER A 13 4.419 -4.400 10.744 1.00 0.00 O ATOM 0 H SER A 13 1.320 -4.541 8.216 1.00 0.00 H new ATOM 0 HA SER A 13 2.064 -5.175 11.005 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.715 -4.974 8.897 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.584 -3.262 9.247 1.00 0.00 H new ATOM 0 HG SER A 13 5.327 -4.263 10.403 1.00 0.00 H new ATOM 169 N GLN A 14 2.172 -2.529 11.634 1.00 0.00 N ATOM 170 CA GLN A 14 1.729 -1.261 12.200 1.00 0.00 C ATOM 171 C GLN A 14 1.616 -0.191 11.119 1.00 0.00 C ATOM 172 O GLN A 14 2.623 0.267 10.577 1.00 0.00 O ATOM 173 CB GLN A 14 2.697 -0.799 13.291 1.00 0.00 C ATOM 174 CG GLN A 14 4.143 -1.182 13.023 1.00 0.00 C ATOM 175 CD GLN A 14 5.126 -0.339 13.811 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.806 0.771 14.239 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.331 -0.861 14.007 1.00 0.00 N ATOM 0 H GLN A 14 3.040 -2.888 12.030 1.00 0.00 H new ATOM 0 HA GLN A 14 0.743 -1.414 12.639 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.629 0.284 13.390 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.387 -1.226 14.245 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.289 -2.233 13.274 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.351 -1.076 11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.554 -1.784 13.635 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.034 -0.339 14.530 1.00 0.00 H new ATOM 186 N LEU A 15 0.386 0.201 10.807 1.00 0.00 N ATOM 187 CA LEU A 15 0.142 1.217 9.789 1.00 0.00 C ATOM 188 C LEU A 15 0.291 2.619 10.372 1.00 0.00 C ATOM 189 O LEU A 15 -0.586 3.101 11.089 1.00 0.00 O ATOM 190 CB LEU A 15 -1.258 1.046 9.196 1.00 0.00 C ATOM 191 CG LEU A 15 -1.696 2.112 8.192 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.916 1.976 6.893 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.192 2.015 7.930 1.00 0.00 C ATOM 0 H LEU A 15 -0.458 -0.169 11.244 1.00 0.00 H new ATOM 0 HA LEU A 15 0.883 1.091 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.307 0.073 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.978 1.029 10.014 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.484 3.093 8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.242 2.743 6.191 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.149 2.096 7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.095 0.991 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.486 2.781 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.428 1.030 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.735 2.164 8.863 1.00 0.00 H new ATOM 205 N SER A 16 1.407 3.269 10.056 1.00 0.00 N ATOM 206 CA SER A 16 1.672 4.615 10.550 1.00 0.00 C ATOM 207 C SER A 16 1.494 5.646 9.439 1.00 0.00 C ATOM 208 O SER A 16 1.462 5.303 8.257 1.00 0.00 O ATOM 209 CB SER A 16 3.089 4.703 11.119 1.00 0.00 C ATOM 210 OG SER A 16 3.118 4.305 12.479 1.00 0.00 O ATOM 0 H SER A 16 2.141 2.886 9.461 1.00 0.00 H new ATOM 0 HA SER A 16 0.956 4.832 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.758 4.069 10.537 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.458 5.725 11.028 1.00 0.00 H new ATOM 0 HG SER A 16 4.035 4.368 12.819 1.00 0.00 H new ATOM 216 N VAL A 17 1.377 6.912 9.827 1.00 0.00 N ATOM 217 CA VAL A 17 1.203 7.994 8.866 1.00 0.00 C ATOM 218 C VAL A 17 2.361 8.984 8.937 1.00 0.00 C ATOM 219 O VAL A 17 2.617 9.583 9.982 1.00 0.00 O ATOM 220 CB VAL A 17 -0.118 8.748 9.103 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.287 9.865 8.084 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.297 7.787 9.053 1.00 0.00 C ATOM 0 H VAL A 17 1.400 7.213 10.801 1.00 0.00 H new ATOM 0 HA VAL A 17 1.179 7.538 7.876 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.086 9.197 10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.226 10.386 8.268 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.541 10.568 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.297 9.442 7.079 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.222 8.337 9.223 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.334 7.307 8.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.180 7.027 9.826 1.00 0.00 H new ATOM 232 N THR A 18 3.058 9.152 7.818 1.00 0.00 N ATOM 233 CA THR A 18 4.189 10.068 7.752 1.00 0.00 C ATOM 234 C THR A 18 3.935 11.184 6.745 1.00 0.00 C ATOM 235 O THR A 18 3.075 11.062 5.873 1.00 0.00 O ATOM 236 CB THR A 18 5.487 9.333 7.370 1.00 0.00 C ATOM 237 OG1 THR A 18 5.511 9.081 5.960 1.00 0.00 O ATOM 238 CG2 THR A 18 5.607 8.018 8.126 1.00 0.00 C ATOM 0 H THR A 18 2.859 8.665 6.944 1.00 0.00 H new ATOM 0 HA THR A 18 4.304 10.499 8.747 1.00 0.00 H new ATOM 0 HB THR A 18 6.331 9.968 7.640 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.340 8.615 5.725 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.532 7.517 7.840 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.618 8.214 9.198 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.758 7.380 7.883 1.00 0.00 H new ATOM 246 N ASP A 19 4.689 12.271 6.870 1.00 0.00 N ATOM 247 CA ASP A 19 4.546 13.408 5.969 1.00 0.00 C ATOM 248 C ASP A 19 3.146 14.008 6.068 1.00 0.00 C ATOM 249 O ASP A 19 2.627 14.562 5.098 1.00 0.00 O ATOM 250 CB ASP A 19 4.832 12.984 4.528 1.00 0.00 C ATOM 251 CG ASP A 19 6.300 13.109 4.168 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.151 12.824 5.037 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.597 13.492 3.017 1.00 0.00 O ATOM 0 H ASP A 19 5.405 12.388 7.587 1.00 0.00 H new ATOM 0 HA ASP A 19 5.269 14.168 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.513 11.952 4.386 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.241 13.597 3.848 1.00 0.00 H new ATOM 258 N VAL A 20 2.540 13.891 7.245 1.00 0.00 N ATOM 259 CA VAL A 20 1.200 14.421 7.470 1.00 0.00 C ATOM 260 C VAL A 20 1.071 15.839 6.924 1.00 0.00 C ATOM 261 O VAL A 20 1.560 16.796 7.525 1.00 0.00 O ATOM 262 CB VAL A 20 0.843 14.426 8.968 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.641 14.696 9.163 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.243 13.108 9.615 1.00 0.00 C ATOM 0 H VAL A 20 2.955 13.434 8.057 1.00 0.00 H new ATOM 0 HA VAL A 20 0.508 13.766 6.941 1.00 0.00 H new ATOM 0 HB VAL A 20 1.400 15.227 9.454 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.874 14.696 10.228 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.893 15.667 8.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.221 13.919 8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.984 13.129 10.673 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.715 12.288 9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.318 12.961 9.508 1.00 0.00 H new ATOM 274 N THR A 21 0.408 15.967 5.778 1.00 0.00 N ATOM 275 CA THR A 21 0.214 17.268 5.150 1.00 0.00 C ATOM 276 C THR A 21 -1.036 17.957 5.685 1.00 0.00 C ATOM 277 O THR A 21 -1.932 17.308 6.226 1.00 0.00 O ATOM 278 CB THR A 21 0.100 17.140 3.619 1.00 0.00 C ATOM 279 OG1 THR A 21 0.860 16.015 3.163 1.00 0.00 O ATOM 280 CG2 THR A 21 0.595 18.404 2.932 1.00 0.00 C ATOM 0 H THR A 21 -0.003 15.186 5.267 1.00 0.00 H new ATOM 0 HA THR A 21 1.089 17.870 5.394 1.00 0.00 H new ATOM 0 HB THR A 21 -0.950 16.995 3.366 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.050 16.114 2.207 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.505 18.290 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.004 19.254 3.259 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.639 18.575 3.193 1.00 0.00 H new ATOM 288 N THR A 22 -1.091 19.276 5.531 1.00 0.00 N ATOM 289 CA THR A 22 -2.232 20.053 5.999 1.00 0.00 C ATOM 290 C THR A 22 -3.547 19.398 5.594 1.00 0.00 C ATOM 291 O THR A 22 -4.461 19.264 6.408 1.00 0.00 O ATOM 292 CB THR A 22 -2.196 21.491 5.448 1.00 0.00 C ATOM 293 OG1 THR A 22 -2.622 21.502 4.081 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.796 22.077 5.553 1.00 0.00 C ATOM 0 H THR A 22 -0.358 19.829 5.086 1.00 0.00 H new ATOM 0 HA THR A 22 -2.167 20.087 7.087 1.00 0.00 H new ATOM 0 HB THR A 22 -2.873 22.102 6.045 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.598 22.420 3.738 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.796 23.093 5.158 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.486 22.094 6.598 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.101 21.464 4.979 1.00 0.00 H new ATOM 302 N SER A 23 -3.636 18.990 4.332 1.00 0.00 N ATOM 303 CA SER A 23 -4.842 18.351 3.819 1.00 0.00 C ATOM 304 C SER A 23 -4.510 17.015 3.160 1.00 0.00 C ATOM 305 O SER A 23 -5.289 16.493 2.363 1.00 0.00 O ATOM 306 CB SER A 23 -5.542 19.268 2.814 1.00 0.00 C ATOM 307 OG SER A 23 -4.679 19.600 1.740 1.00 0.00 O ATOM 0 H SER A 23 -2.888 19.091 3.646 1.00 0.00 H new ATOM 0 HA SER A 23 -5.511 18.166 4.659 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.435 18.776 2.428 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.871 20.178 3.315 1.00 0.00 H new ATOM 0 HG SER A 23 -5.150 20.185 1.111 1.00 0.00 H new ATOM 313 N SER A 24 -3.348 16.467 3.501 1.00 0.00 N ATOM 314 CA SER A 24 -2.910 15.194 2.941 1.00 0.00 C ATOM 315 C SER A 24 -1.986 14.463 3.910 1.00 0.00 C ATOM 316 O SER A 24 -1.710 14.948 5.009 1.00 0.00 O ATOM 317 CB SER A 24 -2.194 15.418 1.608 1.00 0.00 C ATOM 318 OG SER A 24 -2.866 16.390 0.825 1.00 0.00 O ATOM 0 H SER A 24 -2.693 16.885 4.162 1.00 0.00 H new ATOM 0 HA SER A 24 -3.793 14.577 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.169 15.740 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.139 14.478 1.059 1.00 0.00 H new ATOM 0 HG SER A 24 -2.388 16.516 -0.021 1.00 0.00 H new ATOM 324 N LEU A 25 -1.511 13.294 3.497 1.00 0.00 N ATOM 325 CA LEU A 25 -0.617 12.494 4.327 1.00 0.00 C ATOM 326 C LEU A 25 -0.124 11.265 3.570 1.00 0.00 C ATOM 327 O LEU A 25 -0.489 11.048 2.415 1.00 0.00 O ATOM 328 CB LEU A 25 -1.330 12.065 5.611 1.00 0.00 C ATOM 329 CG LEU A 25 -2.841 11.858 5.503 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.151 10.546 4.799 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.484 11.891 6.882 1.00 0.00 C ATOM 0 H LEU A 25 -1.730 12.878 2.592 1.00 0.00 H new ATOM 0 HA LEU A 25 0.246 13.108 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.880 11.135 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.140 12.817 6.377 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.259 12.672 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.231 10.416 4.731 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.724 10.561 3.796 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.721 9.719 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.559 11.742 6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.062 11.098 7.499 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.292 12.857 7.350 1.00 0.00 H new ATOM 343 N ARG A 26 0.706 10.463 4.230 1.00 0.00 N ATOM 344 CA ARG A 26 1.248 9.256 3.620 1.00 0.00 C ATOM 345 C ARG A 26 1.184 8.080 4.591 1.00 0.00 C ATOM 346 O ARG A 26 1.334 8.252 5.801 1.00 0.00 O ATOM 347 CB ARG A 26 2.693 9.487 3.177 1.00 0.00 C ATOM 348 CG ARG A 26 3.255 8.364 2.320 1.00 0.00 C ATOM 349 CD ARG A 26 4.774 8.410 2.268 1.00 0.00 C ATOM 350 NE ARG A 26 5.265 9.670 1.717 1.00 0.00 N ATOM 351 CZ ARG A 26 6.499 10.124 1.906 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.363 9.424 2.628 1.00 0.00 N ATOM 353 NH2 ARG A 26 6.871 11.280 1.372 1.00 0.00 N ATOM 0 H ARG A 26 1.017 10.628 5.187 1.00 0.00 H new ATOM 0 HA ARG A 26 0.641 9.017 2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.748 10.421 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.320 9.607 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.932 7.403 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.853 8.440 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.175 8.273 3.272 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.141 7.582 1.662 1.00 0.00 H new ATOM 0 HE ARG A 26 4.625 10.233 1.156 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.081 8.535 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.310 9.775 2.772 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.209 11.821 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 26 7.819 11.628 1.518 1.00 0.00 H new ATOM 367 N LEU A 27 0.960 6.886 4.052 1.00 0.00 N ATOM 368 CA LEU A 27 0.876 5.682 4.871 1.00 0.00 C ATOM 369 C LEU A 27 2.015 4.722 4.545 1.00 0.00 C ATOM 370 O LEU A 27 2.612 4.792 3.472 1.00 0.00 O ATOM 371 CB LEU A 27 -0.470 4.987 4.653 1.00 0.00 C ATOM 372 CG LEU A 27 -1.676 5.632 5.336 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.965 5.223 4.640 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.720 5.253 6.810 1.00 0.00 C ATOM 0 H LEU A 27 0.833 6.726 3.053 1.00 0.00 H new ATOM 0 HA LEU A 27 0.961 5.976 5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.665 4.944 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.386 3.958 5.004 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.575 6.715 5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.813 5.692 5.140 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.934 5.545 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.073 4.139 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.585 5.721 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.797 4.170 6.905 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.810 5.596 7.301 1.00 0.00 H new ATOM 386 N ASN A 28 2.311 3.824 5.479 1.00 0.00 N ATOM 387 CA ASN A 28 3.378 2.848 5.291 1.00 0.00 C ATOM 388 C ASN A 28 3.137 1.606 6.145 1.00 0.00 C ATOM 389 O ASN A 28 3.141 1.676 7.374 1.00 0.00 O ATOM 390 CB ASN A 28 4.732 3.467 5.643 1.00 0.00 C ATOM 391 CG ASN A 28 5.014 4.729 4.851 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.732 4.701 3.851 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.447 5.845 5.295 1.00 0.00 N ATOM 0 H ASN A 28 1.827 3.752 6.374 1.00 0.00 H new ATOM 0 HA ASN A 28 3.383 2.551 4.242 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.758 3.696 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.521 2.739 5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.599 6.725 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.859 5.822 6.128 1.00 0.00 H new ATOM 400 N TRP A 29 2.929 0.473 5.485 1.00 0.00 N ATOM 401 CA TRP A 29 2.686 -0.784 6.184 1.00 0.00 C ATOM 402 C TRP A 29 3.589 -1.889 5.646 1.00 0.00 C ATOM 403 O TRP A 29 3.859 -1.952 4.447 1.00 0.00 O ATOM 404 CB TRP A 29 1.219 -1.195 6.044 1.00 0.00 C ATOM 405 CG TRP A 29 0.784 -1.367 4.621 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.792 -2.525 3.896 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.278 -0.350 3.750 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.321 -2.288 2.627 1.00 0.00 N ATOM 409 CE2 TRP A 29 -0.001 -0.961 2.512 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.032 1.018 3.896 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.512 -0.251 1.429 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.474 1.722 2.820 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.743 1.087 1.600 1.00 0.00 C ATOM 0 H TRP A 29 2.924 0.398 4.468 1.00 0.00 H new ATOM 0 HA TRP A 29 2.915 -0.634 7.239 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.058 -2.130 6.581 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.591 -0.442 6.520 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.120 -3.485 4.266 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.226 -2.987 1.890 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.234 1.516 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.719 -0.739 0.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.666 2.780 2.921 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.140 1.665 0.779 1.00 0.00 H new ATOM 424 N GLU A 30 4.053 -2.756 6.540 1.00 0.00 N ATOM 425 CA GLU A 30 4.927 -3.858 6.153 1.00 0.00 C ATOM 426 C GLU A 30 4.132 -5.150 5.986 1.00 0.00 C ATOM 427 O GLU A 30 3.294 -5.488 6.822 1.00 0.00 O ATOM 428 CB GLU A 30 6.028 -4.055 7.196 1.00 0.00 C ATOM 429 CG GLU A 30 7.029 -5.138 6.828 1.00 0.00 C ATOM 430 CD GLU A 30 8.174 -4.612 5.985 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.922 -4.194 4.836 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.323 -4.619 6.475 1.00 0.00 O ATOM 0 H GLU A 30 3.839 -2.717 7.536 1.00 0.00 H new ATOM 0 HA GLU A 30 5.384 -3.607 5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.559 -3.113 7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.570 -4.306 8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.428 -5.583 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.517 -5.931 6.284 1.00 0.00 H new ATOM 439 N ALA A 31 4.401 -5.867 4.900 1.00 0.00 N ATOM 440 CA ALA A 31 3.713 -7.122 4.623 1.00 0.00 C ATOM 441 C ALA A 31 4.632 -8.105 3.907 1.00 0.00 C ATOM 442 O ALA A 31 5.456 -7.728 3.074 1.00 0.00 O ATOM 443 CB ALA A 31 2.462 -6.866 3.796 1.00 0.00 C ATOM 0 H ALA A 31 5.091 -5.600 4.197 1.00 0.00 H new ATOM 0 HA ALA A 31 3.421 -7.566 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.958 -7.812 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.791 -6.206 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.739 -6.397 2.852 1.00 0.00 H new ATOM 449 N PRO A 32 4.490 -9.398 4.237 1.00 0.00 N ATOM 450 CA PRO A 32 5.299 -10.462 3.637 1.00 0.00 C ATOM 451 C PRO A 32 4.952 -10.697 2.171 1.00 0.00 C ATOM 452 O PRO A 32 3.936 -10.219 1.664 1.00 0.00 O ATOM 453 CB PRO A 32 4.944 -11.693 4.474 1.00 0.00 C ATOM 454 CG PRO A 32 3.584 -11.407 5.011 1.00 0.00 C ATOM 455 CD PRO A 32 3.527 -9.919 5.222 1.00 0.00 C ATOM 0 HA PRO A 32 6.361 -10.218 3.642 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.948 -12.599 3.867 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.663 -11.845 5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.812 -11.732 4.313 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.413 -11.941 5.946 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.525 -9.527 5.050 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.806 -9.646 6.240 1.00 0.00 H new ATOM 463 N PRO A 33 5.813 -11.451 1.471 1.00 0.00 N ATOM 464 CA PRO A 33 5.617 -11.767 0.053 1.00 0.00 C ATOM 465 C PRO A 33 4.448 -12.720 -0.172 1.00 0.00 C ATOM 466 O PRO A 33 4.116 -13.527 0.695 1.00 0.00 O ATOM 467 CB PRO A 33 6.936 -12.435 -0.346 1.00 0.00 C ATOM 468 CG PRO A 33 7.476 -12.997 0.923 1.00 0.00 C ATOM 469 CD PRO A 33 7.044 -12.053 2.011 1.00 0.00 C ATOM 0 HA PRO A 33 5.377 -10.880 -0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.775 -13.217 -1.088 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.627 -11.716 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.090 -14.001 1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.562 -13.076 0.884 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.857 -12.578 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.804 -11.299 2.214 1.00 0.00 H new ATOM 477 N GLY A 34 3.827 -12.621 -1.344 1.00 0.00 N ATOM 478 CA GLY A 34 2.702 -13.480 -1.662 1.00 0.00 C ATOM 479 C GLY A 34 1.598 -13.397 -0.626 1.00 0.00 C ATOM 480 O GLY A 34 0.753 -14.287 -0.538 1.00 0.00 O ATOM 0 H GLY A 34 4.083 -11.961 -2.078 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.302 -13.204 -2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.047 -14.511 -1.739 1.00 0.00 H new ATOM 484 N ALA A 35 1.607 -12.327 0.161 1.00 0.00 N ATOM 485 CA ALA A 35 0.598 -12.131 1.195 1.00 0.00 C ATOM 486 C ALA A 35 -0.772 -11.861 0.582 1.00 0.00 C ATOM 487 O ALA A 35 -1.702 -12.650 0.746 1.00 0.00 O ATOM 488 CB ALA A 35 1.001 -10.988 2.115 1.00 0.00 C ATOM 0 H ALA A 35 2.302 -11.582 0.103 1.00 0.00 H new ATOM 0 HA ALA A 35 0.530 -13.048 1.780 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.239 -10.853 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.955 -11.221 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.098 -10.071 1.534 1.00 0.00 H new ATOM 494 N PHE A 36 -0.889 -10.742 -0.124 1.00 0.00 N ATOM 495 CA PHE A 36 -2.147 -10.367 -0.760 1.00 0.00 C ATOM 496 C PHE A 36 -1.909 -9.867 -2.182 1.00 0.00 C ATOM 497 O PHE A 36 -0.805 -9.444 -2.526 1.00 0.00 O ATOM 498 CB PHE A 36 -2.857 -9.289 0.061 1.00 0.00 C ATOM 499 CG PHE A 36 -2.620 -9.408 1.539 1.00 0.00 C ATOM 500 CD1 PHE A 36 -1.498 -8.842 2.122 1.00 0.00 C ATOM 501 CD2 PHE A 36 -3.520 -10.085 2.345 1.00 0.00 C ATOM 502 CE1 PHE A 36 -1.278 -8.950 3.483 1.00 0.00 C ATOM 503 CE2 PHE A 36 -3.306 -10.196 3.706 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.182 -9.628 4.275 1.00 0.00 C ATOM 0 H PHE A 36 -0.128 -10.079 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.780 -11.253 -0.807 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.521 -8.308 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.928 -9.343 -0.133 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.787 -8.310 1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.399 -10.531 1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.400 -8.504 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.016 -10.726 4.324 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.011 -9.715 5.338 1.00 0.00 H new ATOM 514 N ASP A 37 -2.953 -9.918 -3.003 1.00 0.00 N ATOM 515 CA ASP A 37 -2.859 -9.470 -4.387 1.00 0.00 C ATOM 516 C ASP A 37 -2.798 -7.948 -4.462 1.00 0.00 C ATOM 517 O ASP A 37 -1.975 -7.384 -5.184 1.00 0.00 O ATOM 518 CB ASP A 37 -4.052 -9.986 -5.194 1.00 0.00 C ATOM 519 CG ASP A 37 -3.789 -9.973 -6.687 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.611 -10.097 -7.084 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.762 -9.840 -7.459 1.00 0.00 O ATOM 0 H ASP A 37 -3.874 -10.265 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.940 -9.874 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.288 -11.002 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.927 -9.373 -4.977 1.00 0.00 H new ATOM 526 N SER A 38 -3.675 -7.287 -3.713 1.00 0.00 N ATOM 527 CA SER A 38 -3.724 -5.830 -3.699 1.00 0.00 C ATOM 528 C SER A 38 -4.112 -5.313 -2.316 1.00 0.00 C ATOM 529 O SER A 38 -4.341 -6.093 -1.391 1.00 0.00 O ATOM 530 CB SER A 38 -4.720 -5.322 -4.743 1.00 0.00 C ATOM 531 OG SER A 38 -5.909 -6.093 -4.732 1.00 0.00 O ATOM 0 H SER A 38 -4.361 -7.738 -3.108 1.00 0.00 H new ATOM 0 HA SER A 38 -2.730 -5.455 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.959 -4.277 -4.544 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.266 -5.362 -5.733 1.00 0.00 H new ATOM 0 HG SER A 38 -6.530 -5.747 -5.407 1.00 0.00 H new ATOM 537 N PHE A 39 -4.184 -3.993 -2.184 1.00 0.00 N ATOM 538 CA PHE A 39 -4.542 -3.370 -0.915 1.00 0.00 C ATOM 539 C PHE A 39 -5.589 -2.279 -1.122 1.00 0.00 C ATOM 540 O PHE A 39 -5.352 -1.303 -1.835 1.00 0.00 O ATOM 541 CB PHE A 39 -3.301 -2.781 -0.243 1.00 0.00 C ATOM 542 CG PHE A 39 -2.481 -3.798 0.498 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.025 -4.510 1.555 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.165 -4.042 0.137 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.273 -5.447 2.238 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.409 -4.978 0.817 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.963 -5.681 1.869 1.00 0.00 C ATOM 0 H PHE A 39 -3.999 -3.334 -2.940 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.966 -4.138 -0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.678 -2.306 -1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.610 -1.999 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.049 -4.331 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.726 -3.495 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.709 -5.996 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.615 -5.160 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.373 -6.412 2.402 1.00 0.00 H new ATOM 557 N LEU A 40 -6.746 -2.452 -0.493 1.00 0.00 N ATOM 558 CA LEU A 40 -7.831 -1.482 -0.608 1.00 0.00 C ATOM 559 C LEU A 40 -7.922 -0.617 0.645 1.00 0.00 C ATOM 560 O LEU A 40 -8.362 -1.077 1.700 1.00 0.00 O ATOM 561 CB LEU A 40 -9.161 -2.201 -0.843 1.00 0.00 C ATOM 562 CG LEU A 40 -10.285 -1.354 -1.441 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.896 -0.849 -2.822 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.577 -2.154 -1.508 1.00 0.00 C ATOM 0 H LEU A 40 -6.958 -3.254 0.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.619 -0.835 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.981 -3.049 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.505 -2.606 0.109 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.448 -0.492 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.708 -0.248 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.996 -0.239 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.705 -1.697 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.366 -1.536 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.427 -3.035 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.865 -2.465 -0.504 1.00 0.00 H new ATOM 576 N LEU A 41 -7.506 0.638 0.522 1.00 0.00 N ATOM 577 CA LEU A 41 -7.543 1.570 1.644 1.00 0.00 C ATOM 578 C LEU A 41 -8.813 2.414 1.610 1.00 0.00 C ATOM 579 O LEU A 41 -9.104 3.075 0.613 1.00 0.00 O ATOM 580 CB LEU A 41 -6.312 2.478 1.619 1.00 0.00 C ATOM 581 CG LEU A 41 -6.283 3.598 2.659 1.00 0.00 C ATOM 582 CD1 LEU A 41 -6.107 3.024 4.057 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.173 4.590 2.344 1.00 0.00 C ATOM 0 H LEU A 41 -7.139 1.034 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.540 0.990 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.426 1.859 1.757 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.237 2.927 0.629 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.236 4.126 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.089 3.836 4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.937 2.354 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.169 2.470 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.167 5.380 3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.212 4.075 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.343 5.026 1.360 1.00 0.00 H new ATOM 595 N ARG A 42 -9.564 2.387 2.706 1.00 0.00 N ATOM 596 CA ARG A 42 -10.803 3.151 2.802 1.00 0.00 C ATOM 597 C ARG A 42 -10.688 4.241 3.863 1.00 0.00 C ATOM 598 O ARG A 42 -10.521 3.954 5.048 1.00 0.00 O ATOM 599 CB ARG A 42 -11.974 2.223 3.132 1.00 0.00 C ATOM 600 CG ARG A 42 -12.665 1.654 1.904 1.00 0.00 C ATOM 601 CD ARG A 42 -13.868 0.805 2.285 1.00 0.00 C ATOM 602 NE ARG A 42 -15.077 1.609 2.439 1.00 0.00 N ATOM 603 CZ ARG A 42 -16.237 1.118 2.862 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.343 -0.167 3.173 1.00 0.00 N ATOM 605 NH2 ARG A 42 -17.293 1.913 2.977 1.00 0.00 N ATOM 0 H ARG A 42 -9.337 1.845 3.540 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.985 3.625 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.612 1.400 3.749 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.704 2.771 3.728 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.984 2.469 1.255 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.958 1.051 1.334 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.032 0.045 1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.661 0.280 3.217 1.00 0.00 H new ATOM 0 HE ARG A 42 -15.029 2.602 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.533 -0.781 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.235 -0.541 3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.215 2.902 2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.183 1.535 3.302 1.00 0.00 H new ATOM 619 N PHE A 43 -10.779 5.494 3.428 1.00 0.00 N ATOM 620 CA PHE A 43 -10.685 6.628 4.340 1.00 0.00 C ATOM 621 C PHE A 43 -12.018 7.363 4.434 1.00 0.00 C ATOM 622 O PHE A 43 -12.492 7.939 3.455 1.00 0.00 O ATOM 623 CB PHE A 43 -9.590 7.591 3.878 1.00 0.00 C ATOM 624 CG PHE A 43 -9.529 7.759 2.386 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.075 6.729 1.578 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.926 8.946 1.792 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.018 6.880 0.205 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.872 9.102 0.420 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.417 8.068 -0.374 1.00 0.00 C ATOM 0 H PHE A 43 -10.918 5.749 2.450 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.431 6.247 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.756 8.565 4.339 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.625 7.230 4.235 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.762 5.797 2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.282 9.759 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.662 6.070 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.185 10.032 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.373 8.188 -1.446 1.00 0.00 H new ATOM 639 N GLY A 44 -12.619 7.338 5.620 1.00 0.00 N ATOM 640 CA GLY A 44 -13.893 8.005 5.820 1.00 0.00 C ATOM 641 C GLY A 44 -13.866 8.966 6.992 1.00 0.00 C ATOM 642 O GLY A 44 -13.051 8.822 7.903 1.00 0.00 O ATOM 0 H GLY A 44 -12.247 6.868 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.161 8.549 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.669 7.258 5.985 1.00 0.00 H new ATOM 646 N VAL A 45 -14.759 9.950 6.968 1.00 0.00 N ATOM 647 CA VAL A 45 -14.834 10.940 8.037 1.00 0.00 C ATOM 648 C VAL A 45 -15.525 10.367 9.269 1.00 0.00 C ATOM 649 O VAL A 45 -16.723 10.080 9.263 1.00 0.00 O ATOM 650 CB VAL A 45 -15.588 12.203 7.580 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.679 13.211 8.715 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.910 12.817 6.364 1.00 0.00 C ATOM 0 H VAL A 45 -15.440 10.083 6.221 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.809 11.210 8.291 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.601 11.918 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.215 14.096 8.373 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.212 12.766 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.675 13.494 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.456 13.708 6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.885 13.089 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.903 12.094 5.548 1.00 0.00 H new ATOM 662 N PRO A 46 -14.755 10.195 10.353 1.00 0.00 N ATOM 663 CA PRO A 46 -15.272 9.655 11.614 1.00 0.00 C ATOM 664 C PRO A 46 -16.214 10.626 12.317 1.00 0.00 C ATOM 665 O PRO A 46 -15.781 11.641 12.862 1.00 0.00 O ATOM 666 CB PRO A 46 -14.008 9.436 12.451 1.00 0.00 C ATOM 667 CG PRO A 46 -13.017 10.402 11.900 1.00 0.00 C ATOM 668 CD PRO A 46 -13.319 10.514 10.432 1.00 0.00 C ATOM 0 HA PRO A 46 -15.860 8.750 11.459 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.196 9.622 13.508 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.650 8.410 12.366 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.103 11.371 12.391 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.998 10.051 12.063 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.108 11.514 10.054 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.720 9.818 9.844 1.00 0.00 H new ATOM 676 N SER A 47 -17.504 10.308 12.301 1.00 0.00 N ATOM 677 CA SER A 47 -18.508 11.155 12.935 1.00 0.00 C ATOM 678 C SER A 47 -19.016 10.522 14.227 1.00 0.00 C ATOM 679 O SER A 47 -19.223 9.311 14.316 1.00 0.00 O ATOM 680 CB SER A 47 -19.678 11.397 11.979 1.00 0.00 C ATOM 681 OG SER A 47 -20.221 10.173 11.516 1.00 0.00 O ATOM 0 H SER A 47 -17.879 9.470 11.856 1.00 0.00 H new ATOM 0 HA SER A 47 -18.041 12.110 13.177 1.00 0.00 H new ATOM 0 HB2 SER A 47 -20.452 11.973 12.486 1.00 0.00 H new ATOM 0 HB3 SER A 47 -19.341 11.993 11.131 1.00 0.00 H new ATOM 0 HG SER A 47 -20.968 10.356 10.908 1.00 0.00 H new ATOM 687 N PRO A 48 -19.221 11.360 15.254 1.00 0.00 N ATOM 688 CA PRO A 48 -19.707 10.906 16.560 1.00 0.00 C ATOM 689 C PRO A 48 -21.162 10.452 16.512 1.00 0.00 C ATOM 690 O PRO A 48 -22.003 11.097 15.886 1.00 0.00 O ATOM 691 CB PRO A 48 -19.564 12.148 17.443 1.00 0.00 C ATOM 692 CG PRO A 48 -19.628 13.296 16.495 1.00 0.00 C ATOM 693 CD PRO A 48 -18.996 12.814 15.219 1.00 0.00 C ATOM 0 HA PRO A 48 -19.151 10.041 16.923 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -20.362 12.201 18.184 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -18.621 12.138 17.990 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.659 13.606 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -19.096 14.160 16.892 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.458 13.271 14.344 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.934 13.055 15.181 1.00 0.00 H new ATOM 701 N SER A 49 -21.452 9.338 17.177 1.00 0.00 N ATOM 702 CA SER A 49 -22.806 8.796 17.206 1.00 0.00 C ATOM 703 C SER A 49 -23.684 9.582 18.175 1.00 0.00 C ATOM 704 O SER A 49 -24.912 9.510 18.117 1.00 0.00 O ATOM 705 CB SER A 49 -22.778 7.320 17.607 1.00 0.00 C ATOM 706 OG SER A 49 -24.090 6.792 17.700 1.00 0.00 O ATOM 0 H SER A 49 -20.768 8.793 17.703 1.00 0.00 H new ATOM 0 HA SER A 49 -23.229 8.885 16.205 1.00 0.00 H new ATOM 0 HB2 SER A 49 -22.205 6.752 16.874 1.00 0.00 H new ATOM 0 HB3 SER A 49 -22.269 7.210 18.565 1.00 0.00 H new ATOM 0 HG SER A 49 -24.045 5.847 17.956 1.00 0.00 H new ATOM 712 N THR A 50 -23.046 10.333 19.067 1.00 0.00 N ATOM 713 CA THR A 50 -23.767 11.131 20.050 1.00 0.00 C ATOM 714 C THR A 50 -24.431 12.338 19.398 1.00 0.00 C ATOM 715 O THR A 50 -25.483 12.799 19.845 1.00 0.00 O ATOM 716 CB THR A 50 -22.832 11.619 21.173 1.00 0.00 C ATOM 717 OG1 THR A 50 -21.720 12.325 20.612 1.00 0.00 O ATOM 718 CG2 THR A 50 -22.329 10.449 22.005 1.00 0.00 C ATOM 0 H THR A 50 -22.030 10.405 19.129 1.00 0.00 H new ATOM 0 HA THR A 50 -24.533 10.486 20.480 1.00 0.00 H new ATOM 0 HB THR A 50 -23.397 12.289 21.821 1.00 0.00 H new ATOM 0 HG1 THR A 50 -21.131 12.633 21.332 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.671 10.818 22.791 1.00 0.00 H new ATOM 0 HG22 THR A 50 -23.176 9.931 22.454 1.00 0.00 H new ATOM 0 HG23 THR A 50 -21.779 9.758 21.366 1.00 0.00 H new ATOM 726 N LEU A 51 -23.813 12.847 18.338 1.00 0.00 N ATOM 727 CA LEU A 51 -24.345 14.001 17.622 1.00 0.00 C ATOM 728 C LEU A 51 -25.082 13.566 16.359 1.00 0.00 C ATOM 729 O LEU A 51 -24.913 12.443 15.886 1.00 0.00 O ATOM 730 CB LEU A 51 -23.216 14.967 17.260 1.00 0.00 C ATOM 731 CG LEU A 51 -23.597 16.445 17.179 1.00 0.00 C ATOM 732 CD1 LEU A 51 -23.837 17.012 18.570 1.00 0.00 C ATOM 733 CD2 LEU A 51 -22.515 17.236 16.458 1.00 0.00 C ATOM 0 H LEU A 51 -22.942 12.478 17.955 1.00 0.00 H new ATOM 0 HA LEU A 51 -25.053 14.509 18.277 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -22.421 14.857 17.997 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -22.802 14.666 16.298 1.00 0.00 H new ATOM 0 HG LEU A 51 -24.522 16.531 16.610 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -24.107 18.065 18.492 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -24.647 16.464 19.051 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.929 16.913 19.165 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -22.803 18.286 16.410 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.574 17.143 17.000 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -22.392 16.847 15.447 1.00 0.00 H new ATOM 745 N GLU A 52 -25.899 14.465 15.818 1.00 0.00 N ATOM 746 CA GLU A 52 -26.660 14.174 14.609 1.00 0.00 C ATOM 747 C GLU A 52 -25.796 14.355 13.364 1.00 0.00 C ATOM 748 O GLU A 52 -24.932 15.230 13.300 1.00 0.00 O ATOM 749 CB GLU A 52 -27.891 15.078 14.524 1.00 0.00 C ATOM 750 CG GLU A 52 -28.912 14.822 15.620 1.00 0.00 C ATOM 751 CD GLU A 52 -30.062 15.809 15.589 1.00 0.00 C ATOM 752 OE1 GLU A 52 -29.921 16.903 16.174 1.00 0.00 O ATOM 753 OE2 GLU A 52 -31.104 15.487 14.979 1.00 0.00 O ATOM 0 H GLU A 52 -26.050 15.400 16.198 1.00 0.00 H new ATOM 0 HA GLU A 52 -26.984 13.134 14.657 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.571 16.119 14.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -28.368 14.937 13.554 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -29.304 13.810 15.517 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -28.419 14.875 16.590 1.00 0.00 H new ATOM 760 N PRO A 53 -26.032 13.508 12.351 1.00 0.00 N ATOM 761 CA PRO A 53 -25.286 13.554 11.090 1.00 0.00 C ATOM 762 C PRO A 53 -25.621 14.791 10.264 1.00 0.00 C ATOM 763 O PRO A 53 -26.746 15.290 10.302 1.00 0.00 O ATOM 764 CB PRO A 53 -25.741 12.286 10.363 1.00 0.00 C ATOM 765 CG PRO A 53 -27.088 11.989 10.925 1.00 0.00 C ATOM 766 CD PRO A 53 -27.047 12.441 12.359 1.00 0.00 C ATOM 0 HA PRO A 53 -24.210 13.605 11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -25.788 12.443 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -25.050 11.461 10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -27.866 12.515 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -27.313 10.925 10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -28.017 12.811 12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -26.770 11.627 13.029 1.00 0.00 H new ATOM 774 N HIS A 54 -24.637 15.282 9.516 1.00 0.00 N ATOM 775 CA HIS A 54 -24.828 16.461 8.679 1.00 0.00 C ATOM 776 C HIS A 54 -25.623 16.113 7.424 1.00 0.00 C ATOM 777 O HIS A 54 -25.463 15.043 6.835 1.00 0.00 O ATOM 778 CB HIS A 54 -23.477 17.061 8.291 1.00 0.00 C ATOM 779 CG HIS A 54 -22.825 17.835 9.395 1.00 0.00 C ATOM 780 ND1 HIS A 54 -21.472 17.784 9.653 1.00 0.00 N ATOM 781 CD2 HIS A 54 -23.350 18.683 10.310 1.00 0.00 C ATOM 782 CE1 HIS A 54 -21.192 18.566 10.680 1.00 0.00 C ATOM 783 NE2 HIS A 54 -22.314 19.124 11.097 1.00 0.00 N ATOM 0 H HIS A 54 -23.700 14.881 9.473 1.00 0.00 H new ATOM 0 HA HIS A 54 -25.392 17.196 9.253 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.809 16.259 7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.614 17.716 7.431 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.389 18.961 10.404 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -20.212 18.722 11.106 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -22.398 19.776 11.877 1.00 0.00 H new ATOM 792 N PRO A 55 -26.502 17.035 7.004 1.00 0.00 N ATOM 793 CA PRO A 55 -27.339 16.848 5.816 1.00 0.00 C ATOM 794 C PRO A 55 -26.530 16.890 4.524 1.00 0.00 C ATOM 795 O PRO A 55 -27.076 16.728 3.433 1.00 0.00 O ATOM 796 CB PRO A 55 -28.310 18.030 5.877 1.00 0.00 C ATOM 797 CG PRO A 55 -27.589 19.073 6.658 1.00 0.00 C ATOM 798 CD PRO A 55 -26.745 18.332 7.658 1.00 0.00 C ATOM 0 HA PRO A 55 -27.830 15.875 5.812 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -28.562 18.387 4.878 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -29.245 17.749 6.361 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -26.970 19.690 6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -28.291 19.741 7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -25.813 18.858 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -27.262 18.212 8.610 1.00 0.00 H new ATOM 806 N ARG A 56 -25.225 17.107 4.655 1.00 0.00 N ATOM 807 CA ARG A 56 -24.341 17.171 3.498 1.00 0.00 C ATOM 808 C ARG A 56 -23.780 15.791 3.166 1.00 0.00 C ATOM 809 O ARG A 56 -23.135 15.142 3.989 1.00 0.00 O ATOM 810 CB ARG A 56 -23.195 18.150 3.758 1.00 0.00 C ATOM 811 CG ARG A 56 -22.664 18.815 2.499 1.00 0.00 C ATOM 812 CD ARG A 56 -21.670 17.921 1.773 1.00 0.00 C ATOM 813 NE ARG A 56 -20.753 18.689 0.936 1.00 0.00 N ATOM 814 CZ ARG A 56 -21.052 19.110 -0.288 1.00 0.00 C ATOM 815 NH1 ARG A 56 -22.238 18.838 -0.814 1.00 0.00 N ATOM 816 NH2 ARG A 56 -20.164 19.804 -0.988 1.00 0.00 N ATOM 0 H ARG A 56 -24.757 17.241 5.551 1.00 0.00 H new ATOM 0 HA ARG A 56 -24.923 17.523 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -23.537 18.921 4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -22.380 17.619 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -23.494 19.053 1.834 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -22.184 19.758 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -21.100 17.346 2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -22.211 17.204 1.155 1.00 0.00 H new ATOM 0 HE ARG A 56 -19.832 18.915 1.312 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -22.923 18.305 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -22.466 19.162 -1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -19.250 20.015 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -20.395 20.127 -1.928 1.00 0.00 H new ATOM 830 N PRO A 57 -24.032 15.331 1.931 1.00 0.00 N ATOM 831 CA PRO A 57 -23.561 14.024 1.462 1.00 0.00 C ATOM 832 C PRO A 57 -22.048 13.987 1.274 1.00 0.00 C ATOM 833 O PRO A 57 -21.483 14.797 0.539 1.00 0.00 O ATOM 834 CB PRO A 57 -24.272 13.854 0.117 1.00 0.00 C ATOM 835 CG PRO A 57 -24.547 15.243 -0.345 1.00 0.00 C ATOM 836 CD PRO A 57 -24.795 16.051 0.898 1.00 0.00 C ATOM 0 HA PRO A 57 -23.778 13.231 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.647 13.316 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -25.194 13.283 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -23.703 15.642 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -25.412 15.270 -1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -24.448 17.078 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.856 16.098 1.142 1.00 0.00 H new ATOM 844 N LEU A 58 -21.397 13.041 1.942 1.00 0.00 N ATOM 845 CA LEU A 58 -19.949 12.897 1.848 1.00 0.00 C ATOM 846 C LEU A 58 -19.576 11.651 1.050 1.00 0.00 C ATOM 847 O LEU A 58 -19.735 10.526 1.526 1.00 0.00 O ATOM 848 CB LEU A 58 -19.332 12.825 3.246 1.00 0.00 C ATOM 849 CG LEU A 58 -20.017 11.881 4.234 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.009 11.327 5.229 1.00 0.00 C ATOM 851 CD2 LEU A 58 -21.147 12.596 4.959 1.00 0.00 C ATOM 0 H LEU A 58 -21.849 12.362 2.555 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.555 13.770 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.290 12.521 3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.332 13.828 3.673 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.441 11.047 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -19.515 10.657 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -18.234 10.778 4.694 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -18.555 12.149 5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -21.623 11.909 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -20.746 13.450 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.883 12.943 4.233 1.00 0.00 H new ATOM 863 N LEU A 59 -19.078 11.859 -0.163 1.00 0.00 N ATOM 864 CA LEU A 59 -18.680 10.752 -1.027 1.00 0.00 C ATOM 865 C LEU A 59 -17.463 10.029 -0.459 1.00 0.00 C ATOM 866 O LEU A 59 -16.552 10.657 0.079 1.00 0.00 O ATOM 867 CB LEU A 59 -18.372 11.264 -2.435 1.00 0.00 C ATOM 868 CG LEU A 59 -18.200 10.195 -3.515 1.00 0.00 C ATOM 869 CD1 LEU A 59 -19.553 9.658 -3.956 1.00 0.00 C ATOM 870 CD2 LEU A 59 -17.434 10.756 -4.704 1.00 0.00 C ATOM 0 H LEU A 59 -18.940 12.783 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.509 10.046 -1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -19.176 11.934 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.460 11.859 -2.392 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.625 9.371 -3.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -19.410 8.899 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -20.066 9.217 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -20.154 10.473 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -17.321 9.981 -5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -17.982 11.599 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.449 11.090 -4.377 1.00 0.00 H new ATOM 882 N GLN A 60 -17.456 8.706 -0.584 1.00 0.00 N ATOM 883 CA GLN A 60 -16.349 7.898 -0.085 1.00 0.00 C ATOM 884 C GLN A 60 -15.466 7.417 -1.231 1.00 0.00 C ATOM 885 O GLN A 60 -15.929 7.257 -2.360 1.00 0.00 O ATOM 886 CB GLN A 60 -16.881 6.699 0.703 1.00 0.00 C ATOM 887 CG GLN A 60 -17.528 5.636 -0.169 1.00 0.00 C ATOM 888 CD GLN A 60 -19.011 5.877 -0.379 1.00 0.00 C ATOM 889 OE1 GLN A 60 -19.417 6.502 -1.358 1.00 0.00 O ATOM 890 NE2 GLN A 60 -19.827 5.379 0.543 1.00 0.00 N ATOM 0 H GLN A 60 -18.204 8.171 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.746 8.521 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -16.060 6.249 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -17.609 7.050 1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -17.027 5.611 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -17.384 4.658 0.290 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -19.446 4.867 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -20.835 5.508 0.455 1.00 0.00 H new ATOM 899 N ARG A 61 -14.191 7.188 -0.933 1.00 0.00 N ATOM 900 CA ARG A 61 -13.242 6.726 -1.938 1.00 0.00 C ATOM 901 C ARG A 61 -12.224 5.769 -1.326 1.00 0.00 C ATOM 902 O ARG A 61 -12.214 5.549 -0.116 1.00 0.00 O ATOM 903 CB ARG A 61 -12.521 7.916 -2.575 1.00 0.00 C ATOM 904 CG ARG A 61 -13.434 8.812 -3.396 1.00 0.00 C ATOM 905 CD ARG A 61 -12.754 10.125 -3.750 1.00 0.00 C ATOM 906 NE ARG A 61 -13.584 10.955 -4.619 1.00 0.00 N ATOM 907 CZ ARG A 61 -13.457 12.274 -4.716 1.00 0.00 C ATOM 908 NH1 ARG A 61 -12.538 12.909 -4.001 1.00 0.00 N ATOM 909 NH2 ARG A 61 -14.250 12.960 -5.529 1.00 0.00 N ATOM 0 H ARG A 61 -13.792 7.315 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.799 6.192 -2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.054 8.510 -1.790 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.720 7.545 -3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.727 8.295 -4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.347 9.013 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.526 10.673 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.804 9.920 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.300 10.497 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.927 12.385 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.442 13.922 -4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.958 12.475 -6.080 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.152 13.973 -5.603 1.00 0.00 H new ATOM 923 N GLU A 62 -11.368 5.203 -2.172 1.00 0.00 N ATOM 924 CA GLU A 62 -10.347 4.269 -1.713 1.00 0.00 C ATOM 925 C GLU A 62 -9.175 4.221 -2.690 1.00 0.00 C ATOM 926 O GLU A 62 -9.292 4.649 -3.839 1.00 0.00 O ATOM 927 CB GLU A 62 -10.942 2.869 -1.546 1.00 0.00 C ATOM 928 CG GLU A 62 -11.575 2.321 -2.814 1.00 0.00 C ATOM 929 CD GLU A 62 -12.789 3.119 -3.252 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.894 2.845 -2.740 1.00 0.00 O ATOM 931 OE2 GLU A 62 -12.633 4.016 -4.107 1.00 0.00 O ATOM 0 H GLU A 62 -11.362 5.375 -3.177 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.980 4.618 -0.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.158 2.187 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.693 2.895 -0.757 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.836 2.323 -3.615 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.866 1.283 -2.651 1.00 0.00 H new ATOM 938 N LEU A 63 -8.046 3.698 -2.225 1.00 0.00 N ATOM 939 CA LEU A 63 -6.851 3.594 -3.056 1.00 0.00 C ATOM 940 C LEU A 63 -6.589 2.145 -3.453 1.00 0.00 C ATOM 941 O LEU A 63 -6.957 1.218 -2.734 1.00 0.00 O ATOM 942 CB LEU A 63 -5.639 4.159 -2.313 1.00 0.00 C ATOM 943 CG LEU A 63 -4.463 4.599 -3.185 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.754 5.941 -3.838 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.185 4.671 -2.361 1.00 0.00 C ATOM 0 H LEU A 63 -7.933 3.339 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.017 4.175 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.967 5.014 -1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.283 3.404 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.323 3.858 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.905 6.237 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.644 5.857 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.922 6.692 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.359 4.986 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.314 5.390 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.966 3.689 -1.942 1.00 0.00 H new ATOM 957 N MET A 64 -5.948 1.960 -4.603 1.00 0.00 N ATOM 958 CA MET A 64 -5.633 0.623 -5.094 1.00 0.00 C ATOM 959 C MET A 64 -4.126 0.442 -5.249 1.00 0.00 C ATOM 960 O MET A 64 -3.509 1.025 -6.141 1.00 0.00 O ATOM 961 CB MET A 64 -6.329 0.372 -6.433 1.00 0.00 C ATOM 962 CG MET A 64 -6.669 -1.089 -6.677 1.00 0.00 C ATOM 963 SD MET A 64 -8.098 -1.300 -7.756 1.00 0.00 S ATOM 964 CE MET A 64 -9.296 -1.969 -6.606 1.00 0.00 C ATOM 0 H MET A 64 -5.637 2.718 -5.211 1.00 0.00 H new ATOM 0 HA MET A 64 -5.995 -0.100 -4.363 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.245 0.961 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.687 0.727 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.808 -1.589 -7.120 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.865 -1.577 -5.722 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.236 -2.153 -7.126 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.920 -2.905 -6.193 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.462 -1.256 -5.798 1.00 0.00 H new ATOM 974 N VAL A 65 -3.539 -0.369 -4.375 1.00 0.00 N ATOM 975 CA VAL A 65 -2.105 -0.627 -4.415 1.00 0.00 C ATOM 976 C VAL A 65 -1.812 -2.118 -4.295 1.00 0.00 C ATOM 977 O VAL A 65 -2.385 -2.824 -3.465 1.00 0.00 O ATOM 978 CB VAL A 65 -1.368 0.122 -3.289 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.045 0.481 -3.722 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.142 1.367 -2.882 1.00 0.00 C ATOM 0 H VAL A 65 -4.035 -0.859 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.745 -0.265 -5.378 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.301 -0.536 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.550 1.010 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.595 -0.429 -3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.004 1.121 -4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.607 1.884 -2.085 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.243 2.030 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.132 1.080 -2.527 1.00 0.00 H new ATOM 990 N PRO A 66 -0.896 -2.611 -5.143 1.00 0.00 N ATOM 991 CA PRO A 66 -0.505 -4.024 -5.151 1.00 0.00 C ATOM 992 C PRO A 66 0.293 -4.411 -3.910 1.00 0.00 C ATOM 993 O PRO A 66 0.961 -3.575 -3.303 1.00 0.00 O ATOM 994 CB PRO A 66 0.365 -4.143 -6.405 1.00 0.00 C ATOM 995 CG PRO A 66 0.900 -2.771 -6.627 1.00 0.00 C ATOM 996 CD PRO A 66 -0.173 -1.828 -6.158 1.00 0.00 C ATOM 0 HA PRO A 66 -1.370 -4.687 -5.151 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.170 -4.863 -6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.218 -4.484 -7.261 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.825 -2.618 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.131 -2.608 -7.680 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.250 -0.916 -5.736 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.828 -1.527 -6.975 1.00 0.00 H new ATOM 1004 N GLY A 67 0.219 -5.686 -3.539 1.00 0.00 N ATOM 1005 CA GLY A 67 0.939 -6.162 -2.372 1.00 0.00 C ATOM 1006 C GLY A 67 2.382 -5.699 -2.353 1.00 0.00 C ATOM 1007 O GLY A 67 2.878 -5.227 -1.330 1.00 0.00 O ATOM 0 H GLY A 67 -0.326 -6.397 -4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.436 -5.811 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.910 -7.251 -2.350 1.00 0.00 H new ATOM 1011 N THR A 68 3.061 -5.836 -3.489 1.00 0.00 N ATOM 1012 CA THR A 68 4.457 -5.431 -3.598 1.00 0.00 C ATOM 1013 C THR A 68 4.647 -3.987 -3.148 1.00 0.00 C ATOM 1014 O THR A 68 5.740 -3.593 -2.741 1.00 0.00 O ATOM 1015 CB THR A 68 4.973 -5.579 -5.042 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.309 -5.072 -5.139 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.072 -4.837 -6.017 1.00 0.00 C ATOM 0 H THR A 68 2.666 -6.224 -4.346 1.00 0.00 H new ATOM 0 HA THR A 68 5.030 -6.090 -2.946 1.00 0.00 H new ATOM 0 HB THR A 68 4.967 -6.638 -5.300 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.630 -5.171 -6.059 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.456 -4.956 -7.030 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.063 -5.244 -5.962 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.051 -3.778 -5.759 1.00 0.00 H new ATOM 1025 N ARG A 69 3.577 -3.203 -3.222 1.00 0.00 N ATOM 1026 CA ARG A 69 3.628 -1.801 -2.822 1.00 0.00 C ATOM 1027 C ARG A 69 2.767 -1.558 -1.586 1.00 0.00 C ATOM 1028 O ARG A 69 1.578 -1.878 -1.571 1.00 0.00 O ATOM 1029 CB ARG A 69 3.158 -0.904 -3.969 1.00 0.00 C ATOM 1030 CG ARG A 69 4.287 -0.410 -4.857 1.00 0.00 C ATOM 1031 CD ARG A 69 3.760 0.418 -6.019 1.00 0.00 C ATOM 1032 NE ARG A 69 4.841 0.991 -6.817 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.668 1.984 -7.683 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.465 2.510 -7.862 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.701 2.451 -8.373 1.00 0.00 N ATOM 0 H ARG A 69 2.664 -3.514 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 69 4.662 -1.555 -2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.441 -1.454 -4.579 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.631 -0.045 -3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.980 0.189 -4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.849 -1.262 -5.241 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.132 -0.207 -6.654 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.128 1.219 -5.636 1.00 0.00 H new ATOM 0 HE ARG A 69 5.780 0.608 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.669 2.153 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.335 3.272 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.628 2.048 -8.239 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.568 3.213 -9.038 1.00 0.00 H new ATOM 1049 N HIS A 70 3.376 -0.990 -0.550 1.00 0.00 N ATOM 1050 CA HIS A 70 2.666 -0.703 0.691 1.00 0.00 C ATOM 1051 C HIS A 70 2.676 0.793 0.990 1.00 0.00 C ATOM 1052 O HIS A 70 3.300 1.240 1.952 1.00 0.00 O ATOM 1053 CB HIS A 70 3.296 -1.471 1.853 1.00 0.00 C ATOM 1054 CG HIS A 70 3.872 -2.795 1.454 1.00 0.00 C ATOM 1055 ND1 HIS A 70 5.164 -2.946 0.997 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.324 -4.032 1.448 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.385 -4.220 0.725 1.00 0.00 C ATOM 1058 NE2 HIS A 70 4.285 -4.900 0.990 1.00 0.00 N ATOM 0 H HIS A 70 4.359 -0.719 -0.545 1.00 0.00 H new ATOM 0 HA HIS A 70 1.631 -1.024 0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.083 -0.861 2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.542 -1.630 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.319 -4.289 1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.309 -4.635 0.350 1.00 0.00 H new ATOM 0 HE2 HIS A 70 4.168 -5.907 0.874 1.00 0.00 H new ATOM 1067 N SER A 71 1.981 1.563 0.158 1.00 0.00 N ATOM 1068 CA SER A 71 1.914 3.009 0.330 1.00 0.00 C ATOM 1069 C SER A 71 0.519 3.532 -0.002 1.00 0.00 C ATOM 1070 O SER A 71 -0.217 2.918 -0.774 1.00 0.00 O ATOM 1071 CB SER A 71 2.954 3.698 -0.556 1.00 0.00 C ATOM 1072 OG SER A 71 2.853 3.257 -1.899 1.00 0.00 O ATOM 0 H SER A 71 1.456 1.209 -0.642 1.00 0.00 H new ATOM 0 HA SER A 71 2.129 3.236 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.814 4.778 -0.513 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.954 3.491 -0.176 1.00 0.00 H new ATOM 0 HG SER A 71 3.527 3.713 -2.445 1.00 0.00 H new ATOM 1078 N ALA A 72 0.165 4.669 0.587 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.139 5.276 0.352 1.00 0.00 C ATOM 1080 C ALA A 72 -1.117 6.766 0.675 1.00 0.00 C ATOM 1081 O ALA A 72 -0.801 7.164 1.797 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.205 4.571 1.178 1.00 0.00 C ATOM 0 H ALA A 72 0.763 5.188 1.230 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.380 5.164 -0.705 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.174 5.034 0.993 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.246 3.519 0.897 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.959 4.654 2.237 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.455 7.587 -0.314 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.474 9.034 -0.135 1.00 0.00 C ATOM 1090 C VAL A 73 -2.866 9.600 -0.388 1.00 0.00 C ATOM 1091 O VAL A 73 -3.384 9.531 -1.504 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.470 9.729 -1.074 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.588 11.241 -0.957 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.948 9.271 -0.771 1.00 0.00 C ATOM 0 H VAL A 73 -1.720 7.275 -1.248 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.188 9.229 0.899 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.705 9.449 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.129 11.715 -1.628 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.598 11.549 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.380 11.544 0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.644 9.772 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.198 9.519 0.260 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.020 8.193 -0.912 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.469 10.162 0.654 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.803 10.743 0.545 1.00 0.00 C ATOM 1106 C LEU A 74 -4.726 12.257 0.377 1.00 0.00 C ATOM 1107 O LEU A 74 -3.971 12.931 1.078 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.633 10.397 1.783 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.877 8.908 2.033 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.226 8.199 0.733 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.657 8.269 2.680 1.00 0.00 C ATOM 0 H LEU A 74 -3.055 10.228 1.584 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.285 10.323 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.135 10.815 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.599 10.894 1.698 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.720 8.807 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.396 7.141 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.129 8.639 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.403 8.309 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.849 7.210 2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.796 8.381 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.452 8.758 3.632 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.513 12.784 -0.555 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.535 14.219 -0.814 1.00 0.00 C ATOM 1125 C ARG A 75 -6.944 14.780 -0.647 1.00 0.00 C ATOM 1126 O ARG A 75 -7.902 14.032 -0.453 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.021 14.511 -2.225 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.594 14.044 -2.462 1.00 0.00 C ATOM 1129 CD ARG A 75 -2.904 14.882 -3.527 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.491 14.680 -4.849 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.079 15.314 -5.941 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.083 16.185 -5.870 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.664 15.076 -7.108 1.00 0.00 N ATOM 0 H ARG A 75 -6.144 12.239 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.882 14.705 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.677 14.028 -2.949 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.079 15.584 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.031 14.102 -1.530 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.598 12.998 -2.767 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.971 15.936 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.845 14.628 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.260 14.015 -4.939 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.630 16.370 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.769 16.670 -6.710 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.431 14.406 -7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.347 15.563 -7.946 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.061 16.101 -0.724 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.353 16.763 -0.583 1.00 0.00 C ATOM 1149 C ASP A 76 -8.972 16.462 0.779 1.00 0.00 C ATOM 1150 O ASP A 76 -10.172 16.207 0.884 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.302 16.320 -1.697 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.684 16.927 -1.557 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.774 18.140 -1.272 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.676 16.189 -1.732 1.00 0.00 O ATOM 0 H ASP A 76 -6.277 16.734 -0.883 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.192 17.838 -0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.881 16.602 -2.662 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.384 15.233 -1.690 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.145 16.492 1.818 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.610 16.221 3.174 1.00 0.00 C ATOM 1161 C LEU A 77 -8.836 17.520 3.941 1.00 0.00 C ATOM 1162 O LEU A 77 -8.362 18.582 3.538 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.599 15.346 3.916 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.057 14.143 3.143 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.225 13.254 4.053 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.198 13.352 2.520 1.00 0.00 C ATOM 0 H LEU A 77 -7.149 16.701 1.748 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.560 15.690 3.107 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.757 15.971 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.066 14.984 4.832 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.415 14.510 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.848 12.403 3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.386 13.825 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.843 12.895 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.794 12.500 1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.866 12.997 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.753 13.992 1.834 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.562 17.427 5.051 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.849 18.594 5.876 1.00 0.00 C ATOM 1180 C ARG A 78 -8.598 19.058 6.616 1.00 0.00 C ATOM 1181 O ARG A 78 -7.589 18.354 6.653 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.960 18.275 6.879 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.763 19.493 7.305 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.056 19.093 7.998 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.899 18.259 7.145 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.636 18.737 6.148 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.633 20.035 5.880 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.377 17.915 5.416 1.00 0.00 N ATOM 0 H ARG A 78 -9.962 16.556 5.399 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.181 19.399 5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.635 17.541 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.519 17.814 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.164 20.108 7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.991 20.104 6.431 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.823 18.554 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.606 19.989 8.285 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.923 17.255 7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.064 20.670 6.440 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.200 20.399 5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.381 16.915 5.618 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.942 18.283 4.651 1.00 0.00 H new ATOM 1202 N SER A 79 -8.672 20.247 7.205 1.00 0.00 N ATOM 1203 CA SER A 79 -7.545 20.808 7.941 1.00 0.00 C ATOM 1204 C SER A 79 -7.639 20.463 9.424 1.00 0.00 C ATOM 1205 O SER A 79 -8.715 20.514 10.018 1.00 0.00 O ATOM 1206 CB SER A 79 -7.495 22.326 7.761 1.00 0.00 C ATOM 1207 OG SER A 79 -7.626 22.682 6.395 1.00 0.00 O ATOM 0 H SER A 79 -9.501 20.841 7.187 1.00 0.00 H new ATOM 0 HA SER A 79 -6.629 20.372 7.542 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.294 22.791 8.339 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.553 22.711 8.152 1.00 0.00 H new ATOM 0 HG SER A 79 -7.753 23.651 6.320 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.502 20.111 10.017 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.477 19.762 11.425 1.00 0.00 C ATOM 1215 C GLY A 80 -7.635 18.868 11.822 1.00 0.00 C ATOM 1216 O GLY A 80 -8.317 19.126 12.814 1.00 0.00 O ATOM 0 H GLY A 80 -5.598 20.061 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.538 19.258 11.655 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.504 20.673 12.022 1.00 0.00 H new ATOM 1220 N THR A 81 -7.860 17.813 11.045 1.00 0.00 N ATOM 1221 CA THR A 81 -8.945 16.880 11.318 1.00 0.00 C ATOM 1222 C THR A 81 -8.436 15.443 11.361 1.00 0.00 C ATOM 1223 O THR A 81 -7.514 15.078 10.630 1.00 0.00 O ATOM 1224 CB THR A 81 -10.058 16.987 10.259 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.370 18.363 10.014 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.310 16.251 10.714 1.00 0.00 C ATOM 0 H THR A 81 -7.304 17.584 10.221 1.00 0.00 H new ATOM 0 HA THR A 81 -9.354 17.147 12.292 1.00 0.00 H new ATOM 0 HB THR A 81 -9.699 16.527 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.540 18.877 9.931 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.082 16.340 9.950 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.076 15.198 10.872 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.670 16.687 11.646 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.042 14.631 12.220 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.651 13.233 12.357 1.00 0.00 C ATOM 1236 C LEU A 82 -9.456 12.347 11.413 1.00 0.00 C ATOM 1237 O LEU A 82 -10.686 12.316 11.471 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.846 12.768 13.802 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.119 11.482 14.197 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.577 10.321 13.327 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.612 11.667 14.092 1.00 0.00 C ATOM 0 H LEU A 82 -9.806 14.917 12.832 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.597 13.149 12.093 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.517 13.567 14.467 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.913 12.627 13.976 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.365 11.252 15.234 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.049 9.414 13.623 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.650 10.173 13.452 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.361 10.542 12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.111 10.742 14.377 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.347 11.922 13.066 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.297 12.470 14.758 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.755 11.626 10.544 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.405 10.739 9.587 1.00 0.00 C ATOM 1255 C TYR A 83 -9.209 9.277 9.978 1.00 0.00 C ATOM 1256 O TYR A 83 -8.149 8.892 10.471 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.853 10.980 8.181 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.502 12.145 7.467 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.059 13.446 7.673 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.558 11.945 6.587 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.649 14.513 7.024 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.154 13.005 5.932 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.696 14.287 6.155 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.286 15.347 5.505 1.00 0.00 O ATOM 0 H TYR A 83 -7.737 11.639 10.483 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.473 10.958 9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.780 11.157 8.247 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.991 10.077 7.586 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.239 13.626 8.352 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.920 10.943 6.412 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.293 15.518 7.196 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.973 12.831 5.250 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.007 15.017 4.929 1.00 0.00 H new ATOM 1274 N SER A 84 -10.240 8.469 9.754 1.00 0.00 N ATOM 1275 CA SER A 84 -10.184 7.050 10.086 1.00 0.00 C ATOM 1276 C SER A 84 -9.853 6.216 8.852 1.00 0.00 C ATOM 1277 O SER A 84 -10.695 6.025 7.973 1.00 0.00 O ATOM 1278 CB SER A 84 -11.516 6.591 10.683 1.00 0.00 C ATOM 1279 OG SER A 84 -11.485 5.209 10.997 1.00 0.00 O ATOM 0 H SER A 84 -11.124 8.772 9.344 1.00 0.00 H new ATOM 0 HA SER A 84 -9.394 6.906 10.823 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.732 7.167 11.583 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.322 6.789 9.976 1.00 0.00 H new ATOM 0 HG SER A 84 -12.347 4.941 11.378 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.621 5.722 8.792 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.177 4.908 7.666 1.00 0.00 C ATOM 1287 C LEU A 85 -8.274 3.422 7.996 1.00 0.00 C ATOM 1288 O LEU A 85 -8.185 3.026 9.158 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.738 5.266 7.289 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.341 6.731 7.471 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.835 6.859 7.639 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.821 7.565 6.292 1.00 0.00 C ATOM 0 H LEU A 85 -7.912 5.871 9.510 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.831 5.116 6.819 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.064 4.651 7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.579 4.994 6.246 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.820 7.107 8.375 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.571 7.909 7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.518 6.295 8.516 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.335 6.465 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.529 8.605 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.371 7.189 5.373 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.907 7.500 6.218 1.00 0.00 H new ATOM 1304 N THR A 86 -8.455 2.603 6.965 1.00 0.00 N ATOM 1305 CA THR A 86 -8.563 1.160 7.145 1.00 0.00 C ATOM 1306 C THR A 86 -8.135 0.416 5.885 1.00 0.00 C ATOM 1307 O THR A 86 -8.859 0.394 4.889 1.00 0.00 O ATOM 1308 CB THR A 86 -10.001 0.746 7.509 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.395 1.371 8.736 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.110 -0.765 7.647 1.00 0.00 C ATOM 0 H THR A 86 -8.530 2.914 5.996 1.00 0.00 H new ATOM 0 HA THR A 86 -7.897 0.892 7.966 1.00 0.00 H new ATOM 0 HB THR A 86 -10.663 1.071 6.707 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.311 1.104 8.960 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.134 -1.034 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.837 -1.237 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.437 -1.108 8.432 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.957 -0.195 5.936 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.432 -0.942 4.798 1.00 0.00 C ATOM 1320 C LEU A 87 -6.951 -2.377 4.804 1.00 0.00 C ATOM 1321 O LEU A 87 -7.226 -2.944 5.861 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.903 -0.940 4.823 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.210 -1.348 3.522 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.047 -0.145 2.605 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.860 -1.985 3.813 1.00 0.00 C ATOM 0 H LEU A 87 -6.347 -0.188 6.753 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.774 -0.455 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.565 0.061 5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.572 -1.612 5.614 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.834 -2.084 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.552 -0.454 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.028 0.268 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.444 0.614 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.382 -2.269 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.228 -1.272 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.002 -2.872 4.431 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.080 -2.958 3.616 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.565 -4.326 3.484 1.00 0.00 C ATOM 1339 C TYR A 88 -6.636 -5.151 2.600 1.00 0.00 C ATOM 1340 O TYR A 88 -6.344 -4.775 1.465 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.980 -4.334 2.903 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.036 -3.857 3.874 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.534 -4.700 4.860 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.536 -2.562 3.805 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.500 -4.268 5.748 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.501 -2.121 4.691 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.980 -2.978 5.660 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.940 -2.543 6.544 1.00 0.00 O ATOM 0 H TYR A 88 -6.855 -2.503 2.731 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.584 -4.774 4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.003 -3.702 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.226 -5.346 2.580 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.159 -5.710 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.164 -1.889 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.877 -4.937 6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.878 -1.111 4.625 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.168 -1.611 6.346 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.173 -6.280 3.129 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.281 -7.142 2.375 1.00 0.00 C ATOM 1360 C GLY A 89 -6.029 -8.101 1.470 1.00 0.00 C ATOM 1361 O GLY A 89 -6.241 -9.262 1.823 1.00 0.00 O ATOM 0 H GLY A 89 -6.400 -6.613 4.066 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.610 -6.528 1.774 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.659 -7.710 3.067 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.433 -7.616 0.301 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.164 -8.438 -0.657 1.00 0.00 C ATOM 1367 C LEU A 90 -6.347 -9.662 -1.059 1.00 0.00 C ATOM 1368 O LEU A 90 -5.366 -9.551 -1.794 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.518 -7.616 -1.898 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.816 -6.812 -1.823 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.008 -7.739 -1.642 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.751 -5.798 -0.690 1.00 0.00 C ATOM 0 H LEU A 90 -6.267 -6.658 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.083 -8.779 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.698 -6.926 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.582 -8.292 -2.751 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.940 -6.271 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.923 -7.149 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.066 -8.426 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.890 -8.307 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.683 -5.235 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.602 -6.319 0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.920 -5.113 -0.862 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.760 -10.828 -0.573 1.00 0.00 N ATOM 1385 CA ARG A 91 -6.068 -12.073 -0.883 1.00 0.00 C ATOM 1386 C ARG A 91 -6.582 -12.671 -2.190 1.00 0.00 C ATOM 1387 O ARG A 91 -6.268 -13.811 -2.528 1.00 0.00 O ATOM 1388 CB ARG A 91 -6.248 -13.078 0.256 1.00 0.00 C ATOM 1389 CG ARG A 91 -5.203 -14.183 0.264 1.00 0.00 C ATOM 1390 CD ARG A 91 -5.695 -15.409 1.017 1.00 0.00 C ATOM 1391 NE ARG A 91 -5.548 -15.259 2.462 1.00 0.00 N ATOM 1392 CZ ARG A 91 -4.382 -15.331 3.093 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -3.267 -15.549 2.410 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -4.329 -15.185 4.411 1.00 0.00 N ATOM 0 H ARG A 91 -7.570 -10.936 0.037 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.007 -11.851 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.210 -12.547 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.238 -13.527 0.180 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.956 -14.459 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.286 -13.815 0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.743 -15.586 0.776 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.139 -16.286 0.685 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.387 -15.090 3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.303 -15.662 1.397 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.373 -15.604 2.898 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.185 -15.017 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.433 -15.241 4.895 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.375 -11.892 -2.919 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.920 -12.361 -4.180 1.00 0.00 C ATOM 1410 C GLY A 92 -9.358 -11.929 -4.386 1.00 0.00 C ATOM 1411 O GLY A 92 -9.641 -10.781 -4.729 1.00 0.00 O ATOM 0 H GLY A 92 -7.650 -10.945 -2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.309 -11.982 -5.000 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.862 -13.449 -4.215 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.297 -12.864 -4.175 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.729 -12.598 -4.335 1.00 0.00 C ATOM 1417 C PRO A 93 -12.271 -11.670 -3.253 1.00 0.00 C ATOM 1418 O PRO A 93 -12.927 -10.671 -3.549 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.364 -13.986 -4.216 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.396 -14.777 -3.407 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.032 -14.253 -3.764 1.00 0.00 C ATOM 0 HA PRO A 93 -11.947 -12.094 -5.277 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.338 -13.935 -3.730 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.520 -14.435 -5.197 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.592 -14.661 -2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.477 -15.840 -3.632 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.350 -14.298 -2.915 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.578 -14.831 -4.569 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.992 -12.006 -1.998 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.451 -11.202 -0.871 1.00 0.00 C ATOM 1431 C HIS A 94 -11.282 -10.805 0.026 1.00 0.00 C ATOM 1432 O HIS A 94 -10.230 -11.446 0.012 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.493 -11.971 -0.059 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.897 -12.916 0.939 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -13.197 -12.877 2.284 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -12.016 -13.931 0.780 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.524 -13.826 2.911 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.800 -14.480 2.020 1.00 0.00 N ATOM 0 H HIS A 94 -11.450 -12.829 -1.736 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.907 -10.294 -1.267 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.132 -11.259 0.464 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.132 -12.532 -0.741 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -11.567 -14.250 -0.149 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.560 -14.032 3.971 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -11.181 -15.265 2.221 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.472 -9.745 0.803 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.434 -9.263 1.707 1.00 0.00 C ATOM 1449 C LYS A 95 -10.078 -10.324 2.743 1.00 0.00 C ATOM 1450 O LYS A 95 -10.947 -11.052 3.223 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.895 -7.983 2.409 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.416 -6.921 1.457 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.297 -5.912 2.175 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.976 -4.968 1.194 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.559 -3.782 1.880 1.00 0.00 N ATOM 0 H LYS A 95 -12.336 -9.203 0.825 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.544 -9.046 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.678 -8.233 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.062 -7.571 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.576 -6.405 0.991 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.983 -7.396 0.656 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.053 -6.438 2.759 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.695 -5.337 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.253 -4.637 0.448 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.762 -5.502 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.012 -3.163 1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.267 -4.096 2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.805 -3.258 2.368 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.797 -10.405 3.085 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.327 -11.374 4.067 1.00 0.00 C ATOM 1471 C ALA A 96 -8.091 -10.714 5.421 1.00 0.00 C ATOM 1472 O ALA A 96 -8.621 -11.157 6.440 1.00 0.00 O ATOM 1473 CB ALA A 96 -7.054 -12.048 3.577 1.00 0.00 C ATOM 0 H ALA A 96 -8.065 -9.810 2.696 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.101 -12.131 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.715 -12.769 4.321 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.253 -12.563 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.281 -11.296 3.422 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.292 -9.653 5.425 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.985 -8.931 6.654 1.00 0.00 C ATOM 1481 C ASP A 97 -7.435 -7.476 6.557 1.00 0.00 C ATOM 1482 O ASP A 97 -7.793 -6.997 5.481 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.486 -8.995 6.948 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.673 -8.134 6.001 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.282 -7.399 5.196 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.427 -8.196 6.065 1.00 0.00 O ATOM 0 H ASP A 97 -6.845 -9.274 4.590 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.528 -9.407 7.470 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.306 -8.672 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.148 -10.029 6.875 1.00 0.00 H new ATOM 1491 N SER A 98 -7.416 -6.779 7.688 1.00 0.00 N ATOM 1492 CA SER A 98 -7.827 -5.381 7.732 1.00 0.00 C ATOM 1493 C SER A 98 -7.228 -4.676 8.945 1.00 0.00 C ATOM 1494 O SER A 98 -7.479 -5.061 10.087 1.00 0.00 O ATOM 1495 CB SER A 98 -9.353 -5.276 7.769 1.00 0.00 C ATOM 1496 OG SER A 98 -9.872 -5.817 8.972 1.00 0.00 O ATOM 0 H SER A 98 -7.120 -7.160 8.587 1.00 0.00 H new ATOM 0 HA SER A 98 -7.458 -4.892 6.830 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.651 -4.232 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.778 -5.805 6.916 1.00 0.00 H new ATOM 0 HG SER A 98 -9.237 -5.659 9.702 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.435 -3.641 8.688 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.800 -2.882 9.758 1.00 0.00 C ATOM 1504 C ILE A 99 -6.405 -1.487 9.875 1.00 0.00 C ATOM 1505 O ILE A 99 -7.016 -0.984 8.933 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.282 -2.753 9.533 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.580 -2.381 10.840 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.992 -1.717 8.456 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.150 -2.866 10.918 1.00 0.00 C ATOM 0 H ILE A 99 -6.217 -3.309 7.748 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.976 -3.432 10.683 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.897 -3.716 9.197 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.594 -1.297 10.955 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.142 -2.797 11.676 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.915 -1.637 8.308 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.465 -2.021 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.388 -0.750 8.765 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.716 -2.566 11.872 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.129 -3.953 10.836 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.573 -2.429 10.103 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.230 -0.868 11.038 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.758 0.470 11.278 1.00 0.00 C ATOM 1523 C GLN A 100 -5.631 1.457 11.564 1.00 0.00 C ATOM 1524 O GLN A 100 -4.822 1.247 12.466 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.743 0.450 12.448 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.092 -0.157 12.098 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.139 -1.653 12.341 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.297 -2.104 13.476 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -9.003 -2.431 11.274 1.00 0.00 N ATOM 0 H GLN A 100 -5.727 -1.271 11.828 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.280 0.794 10.378 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.304 -0.112 13.272 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.894 1.470 12.802 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.869 0.328 12.689 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.316 0.044 11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.874 -2.014 10.352 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.027 -3.446 11.376 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.585 2.536 10.787 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.553 3.539 10.973 1.00 0.00 C ATOM 1540 C GLY A 101 -5.120 4.941 11.082 1.00 0.00 C ATOM 1541 O GLY A 101 -5.687 5.467 10.124 1.00 0.00 O ATOM 0 H GLY A 101 -6.243 2.733 10.033 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.985 3.309 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.855 3.497 10.137 1.00 0.00 H new ATOM 1545 N THR A 102 -4.969 5.549 12.255 1.00 0.00 N ATOM 1546 CA THR A 102 -5.472 6.896 12.488 1.00 0.00 C ATOM 1547 C THR A 102 -4.376 7.936 12.285 1.00 0.00 C ATOM 1548 O THR A 102 -3.197 7.659 12.505 1.00 0.00 O ATOM 1549 CB THR A 102 -6.047 7.044 13.909 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.171 6.426 14.858 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.428 6.414 14.002 1.00 0.00 C ATOM 0 H THR A 102 -4.502 5.129 13.058 1.00 0.00 H new ATOM 0 HA THR A 102 -6.268 7.065 11.763 1.00 0.00 H new ATOM 0 HB THR A 102 -6.134 8.107 14.133 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.542 6.526 15.759 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.814 6.531 15.015 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.100 6.905 13.299 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.361 5.353 13.759 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.772 9.133 11.864 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.823 10.214 11.634 1.00 0.00 C ATOM 1561 C ALA A 103 -4.526 11.567 11.613 1.00 0.00 C ATOM 1562 O ALA A 103 -5.631 11.694 11.086 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.070 9.988 10.331 1.00 0.00 C ATOM 0 H ALA A 103 -5.744 9.378 11.675 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.109 10.218 12.457 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.364 10.804 10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.528 9.044 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.778 9.954 9.503 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.879 12.574 12.190 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.445 13.917 12.239 1.00 0.00 C ATOM 1571 C ARG A 104 -3.693 14.858 11.302 1.00 0.00 C ATOM 1572 O ARG A 104 -2.510 15.135 11.499 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.399 14.461 13.668 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.504 15.459 13.976 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.630 15.707 15.471 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.489 14.719 16.119 1.00 0.00 N ATOM 1577 CZ ARG A 104 -6.880 14.803 17.386 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -6.490 15.824 18.137 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -7.662 13.865 17.904 1.00 0.00 N ATOM 0 H ARG A 104 -2.963 12.486 12.630 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.483 13.859 11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.468 13.628 14.367 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.433 14.938 13.835 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.298 16.400 13.466 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.451 15.086 13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.640 15.682 15.927 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -6.034 16.705 15.640 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.806 13.921 15.569 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.889 16.547 17.742 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -6.792 15.886 19.109 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.964 13.078 17.329 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -7.961 13.931 18.877 1.00 0.00 H new ATOM 1593 N THR A 105 -4.389 15.346 10.279 1.00 0.00 N ATOM 1594 CA THR A 105 -3.788 16.254 9.310 1.00 0.00 C ATOM 1595 C THR A 105 -3.285 17.525 9.985 1.00 0.00 C ATOM 1596 O THR A 105 -3.652 17.823 11.122 1.00 0.00 O ATOM 1597 CB THR A 105 -4.788 16.635 8.202 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.998 17.131 8.785 1.00 0.00 O ATOM 1599 CG2 THR A 105 -5.099 15.437 7.318 1.00 0.00 C ATOM 0 H THR A 105 -5.369 15.127 10.101 1.00 0.00 H new ATOM 0 HA THR A 105 -2.946 15.726 8.863 1.00 0.00 H new ATOM 0 HB THR A 105 -4.336 17.413 7.586 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.549 17.548 8.090 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.807 15.731 6.543 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.180 15.079 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.533 14.641 7.923 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.444 18.271 9.278 1.00 0.00 N ATOM 1608 CA LEU A 106 -1.891 19.512 9.809 1.00 0.00 C ATOM 1609 C LEU A 106 -2.814 20.690 9.512 1.00 0.00 C ATOM 1610 O LEU A 106 -3.661 20.619 8.622 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.506 19.772 9.214 1.00 0.00 C ATOM 1612 CG LEU A 106 0.631 18.905 9.757 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.941 19.250 9.066 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.759 19.075 11.264 1.00 0.00 C ATOM 0 H LEU A 106 -2.130 18.038 8.336 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.801 19.408 10.890 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.563 19.627 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.251 20.818 9.382 1.00 0.00 H new ATOM 0 HG LEU A 106 0.398 17.861 9.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.739 18.623 9.465 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.844 19.076 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.180 20.299 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.573 18.451 11.633 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.969 20.119 11.496 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.173 18.777 11.744 1.00 0.00 H new ATOM 1626 N SER A 107 -2.641 21.774 10.262 1.00 0.00 N ATOM 1627 CA SER A 107 -3.459 22.967 10.081 1.00 0.00 C ATOM 1628 C SER A 107 -2.642 24.097 9.460 1.00 0.00 C ATOM 1629 O SER A 107 -1.854 24.754 10.139 1.00 0.00 O ATOM 1630 CB SER A 107 -4.041 23.421 11.421 1.00 0.00 C ATOM 1631 OG SER A 107 -4.186 22.327 12.310 1.00 0.00 O ATOM 0 H SER A 107 -1.942 21.850 11.001 1.00 0.00 H new ATOM 0 HA SER A 107 -4.276 22.717 9.404 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.391 24.173 11.868 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.010 23.893 11.259 1.00 0.00 H new ATOM 0 HG SER A 107 -4.558 22.643 13.160 1.00 0.00 H new ATOM 1637 N GLY A 108 -2.838 24.316 8.163 1.00 0.00 N ATOM 1638 CA GLY A 108 -2.113 25.365 7.471 1.00 0.00 C ATOM 1639 C GLY A 108 -3.036 26.379 6.825 1.00 0.00 C ATOM 1640 O GLY A 108 -4.202 26.515 7.198 1.00 0.00 O ATOM 0 H GLY A 108 -3.486 23.786 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -1.456 25.874 8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -1.476 24.919 6.707 1.00 0.00 H new ATOM 1644 N PRO A 109 -2.513 27.114 5.833 1.00 0.00 N ATOM 1645 CA PRO A 109 -3.282 28.135 5.114 1.00 0.00 C ATOM 1646 C PRO A 109 -4.363 27.528 4.226 1.00 0.00 C ATOM 1647 O PRO A 109 -4.081 27.047 3.129 1.00 0.00 O ATOM 1648 CB PRO A 109 -2.224 28.841 4.262 1.00 0.00 C ATOM 1649 CG PRO A 109 -1.149 27.826 4.076 1.00 0.00 C ATOM 1650 CD PRO A 109 -1.131 27.006 5.336 1.00 0.00 C ATOM 0 HA PRO A 109 -3.814 28.800 5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.636 29.162 3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.845 29.733 4.761 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.349 27.200 3.206 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.184 28.305 3.909 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.855 25.970 5.138 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.413 27.394 6.058 1.00 0.00 H new ATOM 1658 N SER A 110 -5.601 27.555 4.708 1.00 0.00 N ATOM 1659 CA SER A 110 -6.725 27.004 3.959 1.00 0.00 C ATOM 1660 C SER A 110 -7.949 27.907 4.074 1.00 0.00 C ATOM 1661 O SER A 110 -7.935 28.901 4.800 1.00 0.00 O ATOM 1662 CB SER A 110 -7.063 25.600 4.465 1.00 0.00 C ATOM 1663 OG SER A 110 -6.008 24.693 4.196 1.00 0.00 O ATOM 0 H SER A 110 -5.852 27.952 5.613 1.00 0.00 H new ATOM 0 HA SER A 110 -6.436 26.944 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.254 25.633 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.979 25.249 3.989 1.00 0.00 H new ATOM 0 HG SER A 110 -6.248 23.804 4.530 1.00 0.00 H new ATOM 1669 N SER A 111 -9.007 27.553 3.351 1.00 0.00 N ATOM 1670 CA SER A 111 -10.239 28.333 3.368 1.00 0.00 C ATOM 1671 C SER A 111 -11.450 27.430 3.585 1.00 0.00 C ATOM 1672 O SER A 111 -11.339 26.206 3.555 1.00 0.00 O ATOM 1673 CB SER A 111 -10.395 29.108 2.058 1.00 0.00 C ATOM 1674 OG SER A 111 -9.594 30.277 2.060 1.00 0.00 O ATOM 0 H SER A 111 -9.036 26.732 2.747 1.00 0.00 H new ATOM 0 HA SER A 111 -10.181 29.040 4.196 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.113 28.471 1.219 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.441 29.380 1.915 1.00 0.00 H new ATOM 0 HG SER A 111 -9.710 30.754 1.212 1.00 0.00 H new ATOM 1680 N GLY A 112 -12.608 28.047 3.805 1.00 0.00 N ATOM 1681 CA GLY A 112 -13.824 27.285 4.024 1.00 0.00 C ATOM 1682 C GLY A 112 -14.515 26.910 2.728 1.00 0.00 C ATOM 1683 O GLY A 112 -15.432 27.600 2.283 1.00 0.00 O ATOM 0 H GLY A 112 -12.725 29.060 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.586 26.379 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -14.508 27.868 4.641 1.00 0.00 H new TER 1687 GLY A 112