USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 962 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: B 7 THR OG1 : rot 121:sc= 0.91 USER MOD Set 1.2: B 9 THR OG1 : rot -114:sc= 1.32 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0323 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.0641 F(o=-2.5!,f=-0.064) USER MOD Single : A 69 GLN : amide:sc= -0.909 K(o=-0.91,f=-6.4!) USER MOD Single : A 71 GLN : amide:sc= -1.56 K(o=-1.6,f=-7.1!) USER MOD Single : A 72 GLN : amide:sc= -0.0035 X(o=-0.0035,f=-0.0035) USER MOD Single : A 76 MET CE :methyl -172:sc= 0 (180deg=-0.0883) USER MOD Single : A 79 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 84 SER OG : rot 65:sc= 1.12 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot -78:sc= 0.656 USER MOD Single : A 96 GLN :FLIP amide:sc= -0.552 F(o=-1.3,f=-0.55) USER MOD Single : B 1 MET CE :methyl -109:sc= -0.554 (180deg=-2.29) USER MOD Single : B 1 MET N :NH3+ 153:sc= 1.24 (180deg=1.07) USER MOD Single : B 2 GLN :FLIP amide:sc= -0.0735 F(o=-0.8!,f=-0.073) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 178:sc= 1.27 (180deg=1.19) USER MOD Single : B 12 THR OG1 : rot 180:sc= -0.237 USER MOD Single : B 14 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : B 20 SER OG : rot 180:sc= 0.122 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0.113 USER MOD Single : B 25 ASN : amide:sc= 0.761 K(o=0.76,f=-0.86) USER MOD Single : B 27 LYS NZ :NH3+ 151:sc= 1.12 (180deg=0.521) USER MOD Single : B 29 LYS NZ :NH3+ -160:sc= -0.0847 (180deg=-0.487) USER MOD Single : B 31 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.5!) USER MOD Single : B 33 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.16) USER MOD Single : B 40 GLN : amide:sc= -0.441 X(o=-0.44,f=-0.5) USER MOD Single : B 41 GLN : amide:sc= 1.23 K(o=1.2,f=-4.7!) USER MOD Single : B 48 LYS NZ :NH3+ -167:sc=-0.000365 (180deg=-0.128) USER MOD Single : B 49 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD Single : B 55 THR OG1 : rot -74:sc= 1.23 USER MOD Single : B 57 SER OG : rot 78:sc= 0.906 USER MOD Single : B 59 TYR OH : rot -58:sc= 2.09 USER MOD Single : B 60 ASN : amide:sc= -0.0966 X(o=-0.097,f=-0.23) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 144:sc= 1.01 (180deg=0.229) USER MOD Single : B 65 SER OG : rot 120:sc= 0.898 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 64 -22.798 9.196 -2.816 1.00 11.42 N ATOM 9 CA SER A 64 -22.736 7.772 -2.546 1.00 10.21 C ATOM 10 C SER A 64 -22.675 7.536 -1.041 1.00 9.88 C ATOM 11 O SER A 64 -22.207 8.391 -0.285 1.00 10.50 O ATOM 12 CB SER A 64 -21.521 7.141 -3.248 1.00 9.77 C ATOM 13 OG SER A 64 -21.302 5.808 -2.818 1.00 9.97 O ATOM 0 HA SER A 64 -23.634 7.296 -2.940 1.00 10.21 H new ATOM 0 HB2 SER A 64 -21.676 7.155 -4.327 1.00 9.77 H new ATOM 0 HB3 SER A 64 -20.633 7.739 -3.046 1.00 9.77 H new ATOM 0 HG SER A 64 -20.524 5.437 -3.285 1.00 9.97 H new ATOM 19 N GLN A 65 -23.145 6.373 -0.616 1.00 9.07 N ATOM 20 CA GLN A 65 -23.163 6.012 0.796 1.00 8.94 C ATOM 21 C GLN A 65 -21.752 5.800 1.337 1.00 8.54 C ATOM 22 O GLN A 65 -21.524 5.864 2.543 1.00 9.04 O ATOM 23 CB GLN A 65 -23.980 4.738 0.993 1.00 8.41 C ATOM 24 CG GLN A 65 -25.432 4.865 0.562 1.00 8.81 C ATOM 25 CD GLN A 65 -26.016 3.535 0.132 1.00 8.35 C ATOM 26 OE1 GLN A 65 -26.025 3.199 -1.053 1.00 7.92 O ATOM 27 NE2 GLN A 65 -26.491 2.761 1.092 1.00 8.68 N ATOM 0 H GLN A 65 -23.523 5.656 -1.235 1.00 9.07 H new ATOM 0 HA GLN A 65 -23.619 6.835 1.346 1.00 8.94 H new ATOM 0 HB2 GLN A 65 -23.514 3.929 0.431 1.00 8.41 H new ATOM 0 HB3 GLN A 65 -23.947 4.456 2.045 1.00 8.41 H new ATOM 0 HG2 GLN A 65 -26.020 5.270 1.386 1.00 8.81 H new ATOM 0 HG3 GLN A 65 -25.505 5.576 -0.261 1.00 8.81 H new ATOM 0 HE21 GLN A 65 -26.465 3.077 2.062 1.00 8.68 H new ATOM 0 HE22 GLN A 65 -26.884 1.848 0.863 1.00 8.68 H new ATOM 36 N TRP A 66 -20.807 5.551 0.444 1.00 7.75 N ATOM 37 CA TRP A 66 -19.427 5.318 0.850 1.00 7.29 C ATOM 38 C TRP A 66 -18.485 6.355 0.245 1.00 7.94 C ATOM 39 O TRP A 66 -17.270 6.158 0.213 1.00 7.67 O ATOM 40 CB TRP A 66 -18.995 3.905 0.449 1.00 5.95 C ATOM 41 CG TRP A 66 -19.947 2.838 0.909 1.00 5.44 C ATOM 42 CD1 TRP A 66 -20.123 2.388 2.187 1.00 5.69 C ATOM 43 CD2 TRP A 66 -20.858 2.090 0.093 1.00 4.95 C ATOM 44 NE1 TRP A 66 -21.082 1.402 2.215 1.00 5.50 N ATOM 45 CE2 TRP A 66 -21.546 1.202 0.941 1.00 4.94 C ATOM 46 CE3 TRP A 66 -21.154 2.083 -1.271 1.00 4.81 C ATOM 47 CZ2 TRP A 66 -22.515 0.321 0.469 1.00 4.71 C ATOM 48 CZ3 TRP A 66 -22.116 1.210 -1.739 1.00 4.46 C ATOM 49 CH2 TRP A 66 -22.784 0.336 -0.871 1.00 4.35 C ATOM 0 H TRP A 66 -20.967 5.505 -0.562 1.00 7.75 H new ATOM 0 HA TRP A 66 -19.372 5.415 1.934 1.00 7.29 H new ATOM 0 HB2 TRP A 66 -18.902 3.856 -0.636 1.00 5.95 H new ATOM 0 HB3 TRP A 66 -18.007 3.704 0.863 1.00 5.95 H new ATOM 0 HD1 TRP A 66 -19.587 2.753 3.050 1.00 5.69 H new ATOM 0 HE1 TRP A 66 -21.396 0.902 3.047 1.00 5.50 H new ATOM 0 HE3 TRP A 66 -20.640 2.749 -1.948 1.00 4.81 H new ATOM 0 HZ2 TRP A 66 -23.035 -0.350 1.137 1.00 4.71 H new ATOM 0 HZ3 TRP A 66 -22.358 1.201 -2.792 1.00 4.46 H new ATOM 0 HH2 TRP A 66 -23.527 -0.340 -1.269 1.00 4.35 H new ATOM 60 N GLN A 67 -19.040 7.470 -0.221 1.00 8.91 N ATOM 61 CA GLN A 67 -18.223 8.527 -0.816 1.00 9.79 C ATOM 62 C GLN A 67 -17.303 9.174 0.230 1.00 10.34 C ATOM 63 O GLN A 67 -16.104 9.309 -0.016 1.00 10.35 O ATOM 64 CB GLN A 67 -19.089 9.589 -1.503 1.00 10.87 C ATOM 65 CG GLN A 67 -18.333 10.419 -2.534 1.00 11.49 C ATOM 66 CD GLN A 67 -18.257 9.763 -3.908 1.00 12.17 C ATOM 67 OE1 GLN A 67 -18.244 8.436 -3.952 1.00 12.51 O flip ATOM 68 NE2 GLN A 67 -18.215 10.449 -4.930 1.00 12.54 N flip ATOM 0 H GLN A 67 -20.041 7.666 -0.200 1.00 8.91 H new ATOM 0 HA GLN A 67 -17.598 8.061 -1.578 1.00 9.79 H new ATOM 0 HB2 GLN A 67 -19.932 9.099 -1.991 1.00 10.87 H new ATOM 0 HB3 GLN A 67 -19.502 10.255 -0.745 1.00 10.87 H new ATOM 0 HG2 GLN A 67 -18.816 11.391 -2.631 1.00 11.49 H new ATOM 0 HG3 GLN A 67 -17.321 10.601 -2.171 1.00 11.49 H new ATOM 0 HE21 GLN A 67 -18.227 11.467 -4.862 1.00 12.54 H new ATOM 0 HE22 GLN A 67 -18.169 9.999 -5.844 1.00 12.54 H new ATOM 77 N PRO A 68 -17.827 9.588 1.412 1.00 10.91 N ATOM 78 CA PRO A 68 -16.991 10.192 2.458 1.00 11.55 C ATOM 79 C PRO A 68 -15.915 9.224 2.929 1.00 10.63 C ATOM 80 O PRO A 68 -14.814 9.629 3.312 1.00 10.96 O ATOM 81 CB PRO A 68 -17.976 10.499 3.594 1.00 12.27 C ATOM 82 CG PRO A 68 -19.313 10.531 2.942 1.00 12.32 C ATOM 83 CD PRO A 68 -19.244 9.528 1.829 1.00 11.14 C ATOM 0 HA PRO A 68 -16.464 11.078 2.105 1.00 11.55 H new ATOM 0 HB2 PRO A 68 -17.933 9.736 4.371 1.00 12.27 H new ATOM 0 HB3 PRO A 68 -17.746 11.452 4.070 1.00 12.27 H new ATOM 0 HG2 PRO A 68 -20.101 10.276 3.651 1.00 12.32 H new ATOM 0 HG3 PRO A 68 -19.539 11.526 2.559 1.00 12.32 H new ATOM 0 HD2 PRO A 68 -19.523 8.530 2.168 1.00 11.14 H new ATOM 0 HD3 PRO A 68 -19.916 9.786 1.011 1.00 11.14 H new ATOM 91 N GLN A 69 -16.241 7.938 2.878 1.00 9.49 N ATOM 92 CA GLN A 69 -15.320 6.887 3.280 1.00 8.55 C ATOM 93 C GLN A 69 -14.137 6.834 2.320 1.00 8.02 C ATOM 94 O GLN A 69 -12.999 6.613 2.732 1.00 7.78 O ATOM 95 CB GLN A 69 -16.032 5.531 3.317 1.00 7.60 C ATOM 96 CG GLN A 69 -16.883 5.303 4.562 1.00 8.24 C ATOM 97 CD GLN A 69 -18.071 6.238 4.658 1.00 9.20 C ATOM 98 OE1 GLN A 69 -18.634 6.660 3.645 1.00 9.45 O ATOM 99 NE2 GLN A 69 -18.462 6.573 5.875 1.00 9.96 N ATOM 0 H GLN A 69 -17.148 7.597 2.558 1.00 9.49 H new ATOM 0 HA GLN A 69 -14.954 7.111 4.282 1.00 8.55 H new ATOM 0 HB2 GLN A 69 -16.667 5.443 2.436 1.00 7.60 H new ATOM 0 HB3 GLN A 69 -15.285 4.740 3.252 1.00 7.60 H new ATOM 0 HG2 GLN A 69 -17.239 4.273 4.566 1.00 8.24 H new ATOM 0 HG3 GLN A 69 -16.259 5.428 5.447 1.00 8.24 H new ATOM 0 HE21 GLN A 69 -17.970 6.203 6.689 1.00 9.96 H new ATOM 0 HE22 GLN A 69 -19.255 7.202 6.001 1.00 9.96 H new ATOM 108 N LEU A 70 -14.410 7.056 1.036 1.00 8.02 N ATOM 109 CA LEU A 70 -13.365 7.050 0.022 1.00 7.89 C ATOM 110 C LEU A 70 -12.369 8.169 0.293 1.00 8.90 C ATOM 111 O LEU A 70 -11.162 7.992 0.147 1.00 8.74 O ATOM 112 CB LEU A 70 -13.963 7.222 -1.379 1.00 8.18 C ATOM 113 CG LEU A 70 -14.880 6.094 -1.850 1.00 7.26 C ATOM 114 CD1 LEU A 70 -15.441 6.404 -3.230 1.00 7.86 C ATOM 115 CD2 LEU A 70 -14.136 4.768 -1.864 1.00 6.12 C ATOM 0 H LEU A 70 -15.346 7.242 0.676 1.00 8.02 H new ATOM 0 HA LEU A 70 -12.853 6.089 0.067 1.00 7.89 H new ATOM 0 HB2 LEU A 70 -14.525 8.156 -1.402 1.00 8.18 H new ATOM 0 HB3 LEU A 70 -13.146 7.323 -2.093 1.00 8.18 H new ATOM 0 HG LEU A 70 -15.711 6.013 -1.149 1.00 7.26 H new ATOM 0 HD11 LEU A 70 -16.092 5.590 -3.549 1.00 7.86 H new ATOM 0 HD12 LEU A 70 -16.013 7.331 -3.191 1.00 7.86 H new ATOM 0 HD13 LEU A 70 -14.621 6.513 -3.940 1.00 7.86 H new ATOM 0 HD21 LEU A 70 -14.807 3.978 -2.202 1.00 6.12 H new ATOM 0 HD22 LEU A 70 -13.284 4.836 -2.541 1.00 6.12 H new ATOM 0 HD23 LEU A 70 -13.783 4.538 -0.859 1.00 6.12 H new ATOM 127 N GLN A 71 -12.889 9.322 0.702 1.00 9.99 N ATOM 128 CA GLN A 71 -12.051 10.477 1.005 1.00 11.06 C ATOM 129 C GLN A 71 -11.165 10.191 2.214 1.00 10.72 C ATOM 130 O GLN A 71 -10.024 10.653 2.286 1.00 11.09 O ATOM 131 CB GLN A 71 -12.914 11.716 1.259 1.00 12.24 C ATOM 132 CG GLN A 71 -13.820 12.070 0.091 1.00 13.13 C ATOM 133 CD GLN A 71 -13.058 12.552 -1.131 1.00 13.82 C ATOM 134 OE1 GLN A 71 -11.896 12.202 -1.345 1.00 14.10 O ATOM 135 NE2 GLN A 71 -13.715 13.351 -1.951 1.00 14.24 N ATOM 0 H GLN A 71 -13.888 9.481 0.831 1.00 9.99 H new ATOM 0 HA GLN A 71 -11.412 10.672 0.144 1.00 11.06 H new ATOM 0 HB2 GLN A 71 -13.525 11.548 2.146 1.00 12.24 H new ATOM 0 HB3 GLN A 71 -12.264 12.564 1.475 1.00 12.24 H new ATOM 0 HG2 GLN A 71 -14.412 11.196 -0.179 1.00 13.13 H new ATOM 0 HG3 GLN A 71 -14.520 12.845 0.404 1.00 13.13 H new ATOM 0 HE21 GLN A 71 -14.676 13.619 -1.740 1.00 14.24 H new ATOM 0 HE22 GLN A 71 -13.261 13.700 -2.795 1.00 14.24 H new ATOM 144 N GLN A 72 -11.699 9.418 3.154 1.00 10.10 N ATOM 145 CA GLN A 72 -10.963 9.038 4.350 1.00 9.84 C ATOM 146 C GLN A 72 -9.808 8.122 3.954 1.00 8.80 C ATOM 147 O GLN A 72 -8.675 8.281 4.419 1.00 8.95 O ATOM 148 CB GLN A 72 -11.904 8.327 5.333 1.00 9.58 C ATOM 149 CG GLN A 72 -11.614 8.608 6.802 1.00 10.51 C ATOM 150 CD GLN A 72 -10.348 7.935 7.294 1.00 11.48 C ATOM 151 OE1 GLN A 72 -10.347 6.750 7.619 1.00 11.74 O ATOM 152 NE2 GLN A 72 -9.269 8.694 7.380 1.00 12.15 N ATOM 0 H GLN A 72 -12.646 9.041 3.108 1.00 10.10 H new ATOM 0 HA GLN A 72 -10.562 9.926 4.839 1.00 9.84 H new ATOM 0 HB2 GLN A 72 -12.929 8.625 5.115 1.00 9.58 H new ATOM 0 HB3 GLN A 72 -11.842 7.252 5.163 1.00 9.58 H new ATOM 0 HG2 GLN A 72 -11.528 9.684 6.950 1.00 10.51 H new ATOM 0 HG3 GLN A 72 -12.457 8.269 7.404 1.00 10.51 H new ATOM 0 HE21 GLN A 72 -9.311 9.674 7.100 1.00 12.15 H new ATOM 0 HE22 GLN A 72 -8.394 8.300 7.726 1.00 12.15 H new ATOM 161 N LEU A 73 -10.103 7.185 3.062 1.00 7.83 N ATOM 162 CA LEU A 73 -9.108 6.239 2.581 1.00 6.88 C ATOM 163 C LEU A 73 -8.058 6.941 1.720 1.00 7.64 C ATOM 164 O LEU A 73 -6.873 6.611 1.782 1.00 7.45 O ATOM 165 CB LEU A 73 -9.782 5.119 1.789 1.00 5.88 C ATOM 166 CG LEU A 73 -10.581 4.125 2.632 1.00 5.07 C ATOM 167 CD1 LEU A 73 -11.437 3.242 1.741 1.00 4.30 C ATOM 168 CD2 LEU A 73 -9.648 3.275 3.484 1.00 4.47 C ATOM 0 H LEU A 73 -11.030 7.061 2.656 1.00 7.83 H new ATOM 0 HA LEU A 73 -8.604 5.806 3.445 1.00 6.88 H new ATOM 0 HB2 LEU A 73 -10.449 5.566 1.051 1.00 5.88 H new ATOM 0 HB3 LEU A 73 -9.017 4.573 1.237 1.00 5.88 H new ATOM 0 HG LEU A 73 -11.237 4.687 3.296 1.00 5.07 H new ATOM 0 HD11 LEU A 73 -11.999 2.540 2.357 1.00 4.30 H new ATOM 0 HD12 LEU A 73 -12.130 3.862 1.172 1.00 4.30 H new ATOM 0 HD13 LEU A 73 -10.797 2.689 1.053 1.00 4.30 H new ATOM 0 HD21 LEU A 73 -10.235 2.574 4.077 1.00 4.47 H new ATOM 0 HD22 LEU A 73 -8.967 2.722 2.837 1.00 4.47 H new ATOM 0 HD23 LEU A 73 -9.073 3.920 4.149 1.00 4.47 H new ATOM 180 N ARG A 74 -8.495 7.917 0.928 1.00 8.61 N ATOM 181 CA ARG A 74 -7.585 8.672 0.067 1.00 9.59 C ATOM 182 C ARG A 74 -6.502 9.350 0.901 1.00 10.26 C ATOM 183 O ARG A 74 -5.366 9.506 0.454 1.00 10.62 O ATOM 184 CB ARG A 74 -8.348 9.718 -0.753 1.00 10.58 C ATOM 185 CG ARG A 74 -8.977 9.161 -2.023 1.00 10.33 C ATOM 186 CD ARG A 74 -9.474 10.272 -2.935 1.00 11.09 C ATOM 187 NE ARG A 74 -8.383 11.139 -3.385 1.00 11.57 N ATOM 188 CZ ARG A 74 -8.360 11.774 -4.559 1.00 12.12 C ATOM 189 NH1 ARG A 74 -9.376 11.658 -5.409 1.00 12.26 N ATOM 190 NH2 ARG A 74 -7.316 12.528 -4.878 1.00 12.66 N ATOM 0 H ARG A 74 -9.472 8.204 0.864 1.00 8.61 H new ATOM 0 HA ARG A 74 -7.114 7.971 -0.622 1.00 9.59 H new ATOM 0 HB2 ARG A 74 -9.130 10.154 -0.132 1.00 10.58 H new ATOM 0 HB3 ARG A 74 -7.666 10.525 -1.020 1.00 10.58 H new ATOM 0 HG2 ARG A 74 -8.246 8.552 -2.555 1.00 10.33 H new ATOM 0 HG3 ARG A 74 -9.808 8.505 -1.761 1.00 10.33 H new ATOM 0 HD2 ARG A 74 -9.971 9.835 -3.801 1.00 11.09 H new ATOM 0 HD3 ARG A 74 -10.218 10.869 -2.408 1.00 11.09 H new ATOM 0 HE ARG A 74 -7.587 11.266 -2.760 1.00 11.57 H new ATOM 0 HH11 ARG A 74 -10.181 11.080 -5.166 1.00 12.26 H new ATOM 0 HH12 ARG A 74 -9.350 12.147 -6.304 1.00 12.26 H new ATOM 0 HH21 ARG A 74 -6.536 12.620 -4.227 1.00 12.66 H new ATOM 0 HH22 ARG A 74 -7.294 13.015 -5.774 1.00 12.66 H new ATOM 204 N ASP A 75 -6.859 9.724 2.122 1.00 10.54 N ATOM 205 CA ASP A 75 -5.928 10.372 3.040 1.00 11.27 C ATOM 206 C ASP A 75 -4.839 9.398 3.482 1.00 10.44 C ATOM 207 O ASP A 75 -3.703 9.791 3.742 1.00 10.88 O ATOM 208 CB ASP A 75 -6.680 10.901 4.261 1.00 11.97 C ATOM 209 CG ASP A 75 -5.766 11.593 5.248 1.00 12.96 C ATOM 210 OD1 ASP A 75 -5.434 12.776 5.021 1.00 13.34 O ATOM 211 OD2 ASP A 75 -5.380 10.959 6.253 1.00 13.39 O ATOM 0 H ASP A 75 -7.795 9.589 2.504 1.00 10.54 H new ATOM 0 HA ASP A 75 -5.456 11.206 2.520 1.00 11.27 H new ATOM 0 HB2 ASP A 75 -7.452 11.598 3.935 1.00 11.97 H new ATOM 0 HB3 ASP A 75 -7.187 10.074 4.758 1.00 11.97 H new ATOM 216 N MET A 76 -5.192 8.120 3.544 1.00 9.25 N ATOM 217 CA MET A 76 -4.253 7.077 3.946 1.00 8.38 C ATOM 218 C MET A 76 -3.319 6.739 2.786 1.00 8.05 C ATOM 219 O MET A 76 -2.260 6.134 2.973 1.00 7.84 O ATOM 220 CB MET A 76 -5.018 5.822 4.392 1.00 7.29 C ATOM 221 CG MET A 76 -4.126 4.684 4.870 1.00 7.05 C ATOM 222 SD MET A 76 -5.031 3.137 5.097 1.00 6.11 S ATOM 223 CE MET A 76 -6.076 3.547 6.494 1.00 6.19 C ATOM 0 H MET A 76 -6.127 7.778 3.320 1.00 9.25 H new ATOM 0 HA MET A 76 -3.657 7.441 4.783 1.00 8.38 H new ATOM 0 HB2 MET A 76 -5.703 6.094 5.195 1.00 7.29 H new ATOM 0 HB3 MET A 76 -5.627 5.467 3.561 1.00 7.29 H new ATOM 0 HG2 MET A 76 -3.324 4.529 4.148 1.00 7.05 H new ATOM 0 HG3 MET A 76 -3.656 4.967 5.812 1.00 7.05 H new ATOM 0 HE1 MET A 76 -6.589 2.650 6.841 1.00 6.19 H new ATOM 0 HE2 MET A 76 -5.463 3.949 7.301 1.00 6.19 H new ATOM 0 HE3 MET A 76 -6.812 4.292 6.191 1.00 6.19 H new ATOM 233 N GLY A 77 -3.721 7.143 1.588 1.00 8.19 N ATOM 234 CA GLY A 77 -2.928 6.879 0.407 1.00 8.26 C ATOM 235 C GLY A 77 -3.603 5.885 -0.512 1.00 7.78 C ATOM 236 O GLY A 77 -2.954 5.242 -1.337 1.00 8.03 O ATOM 0 H GLY A 77 -4.588 7.652 1.414 1.00 8.19 H new ATOM 0 HA2 GLY A 77 -2.755 7.811 -0.130 1.00 8.26 H new ATOM 0 HA3 GLY A 77 -1.952 6.495 0.703 1.00 8.26 H new ATOM 240 N ILE A 78 -4.910 5.739 -0.365 1.00 7.25 N ATOM 241 CA ILE A 78 -5.657 4.815 -1.197 1.00 6.87 C ATOM 242 C ILE A 78 -6.198 5.525 -2.430 1.00 7.92 C ATOM 243 O ILE A 78 -7.244 6.169 -2.383 1.00 8.11 O ATOM 244 CB ILE A 78 -6.820 4.146 -0.433 1.00 5.66 C ATOM 245 CG1 ILE A 78 -6.361 3.664 0.951 1.00 4.68 C ATOM 246 CG2 ILE A 78 -7.380 2.983 -1.240 1.00 5.39 C ATOM 247 CD1 ILE A 78 -5.257 2.631 0.911 1.00 4.22 C ATOM 0 H ILE A 78 -5.471 6.246 0.319 1.00 7.25 H new ATOM 0 HA ILE A 78 -4.963 4.031 -1.499 1.00 6.87 H new ATOM 0 HB ILE A 78 -7.607 4.887 -0.291 1.00 5.66 H new ATOM 0 HG12 ILE A 78 -6.019 4.523 1.528 1.00 4.68 H new ATOM 0 HG13 ILE A 78 -7.217 3.245 1.480 1.00 4.68 H new ATOM 0 HG21 ILE A 78 -8.199 2.520 -0.690 1.00 5.39 H new ATOM 0 HG22 ILE A 78 -7.747 3.349 -2.199 1.00 5.39 H new ATOM 0 HG23 ILE A 78 -6.595 2.246 -1.410 1.00 5.39 H new ATOM 0 HD11 ILE A 78 -4.991 2.343 1.928 1.00 4.22 H new ATOM 0 HD12 ILE A 78 -5.600 1.753 0.364 1.00 4.22 H new ATOM 0 HD13 ILE A 78 -4.384 3.051 0.412 1.00 4.22 H new ATOM 259 N GLN A 79 -5.462 5.414 -3.524 1.00 8.74 N ATOM 260 CA GLN A 79 -5.850 6.043 -4.782 1.00 9.84 C ATOM 261 C GLN A 79 -6.927 5.225 -5.493 1.00 9.63 C ATOM 262 O GLN A 79 -7.676 5.750 -6.319 1.00 10.41 O ATOM 263 CB GLN A 79 -4.624 6.196 -5.683 1.00 10.93 C ATOM 264 CG GLN A 79 -4.844 7.120 -6.869 1.00 11.98 C ATOM 265 CD GLN A 79 -3.603 7.271 -7.728 1.00 12.64 C ATOM 266 OE1 GLN A 79 -2.430 7.219 -7.111 1.00 12.98 O flip ATOM 267 NE2 GLN A 79 -3.695 7.443 -8.942 1.00 12.99 N flip ATOM 0 H GLN A 79 -4.587 4.892 -3.569 1.00 8.74 H new ATOM 0 HA GLN A 79 -6.262 7.028 -4.563 1.00 9.84 H new ATOM 0 HB2 GLN A 79 -3.793 6.576 -5.088 1.00 10.93 H new ATOM 0 HB3 GLN A 79 -4.330 5.213 -6.050 1.00 10.93 H new ATOM 0 HG2 GLN A 79 -5.660 6.733 -7.480 1.00 11.98 H new ATOM 0 HG3 GLN A 79 -5.153 8.101 -6.508 1.00 11.98 H new ATOM 0 HE21 GLN A 79 -4.614 7.478 -9.384 1.00 12.99 H new ATOM 0 HE22 GLN A 79 -2.853 7.551 -9.507 1.00 12.99 H new ATOM 276 N ASP A 80 -6.996 3.941 -5.162 1.00 8.64 N ATOM 277 CA ASP A 80 -7.974 3.039 -5.764 1.00 8.48 C ATOM 278 C ASP A 80 -9.350 3.224 -5.134 1.00 7.69 C ATOM 279 O ASP A 80 -9.774 2.425 -4.296 1.00 6.59 O ATOM 280 CB ASP A 80 -7.534 1.576 -5.614 1.00 8.02 C ATOM 281 CG ASP A 80 -6.517 1.155 -6.655 1.00 9.04 C ATOM 282 OD1 ASP A 80 -6.854 1.148 -7.855 1.00 9.63 O ATOM 283 OD2 ASP A 80 -5.378 0.815 -6.273 1.00 9.40 O ATOM 0 H ASP A 80 -6.384 3.498 -4.477 1.00 8.64 H new ATOM 0 HA ASP A 80 -8.036 3.285 -6.824 1.00 8.48 H new ATOM 0 HB2 ASP A 80 -7.111 1.430 -4.620 1.00 8.02 H new ATOM 0 HB3 ASP A 80 -8.409 0.930 -5.686 1.00 8.02 H new ATOM 288 N ASP A 81 -10.036 4.285 -5.535 1.00 8.34 N ATOM 289 CA ASP A 81 -11.367 4.581 -5.015 1.00 7.85 C ATOM 290 C ASP A 81 -12.382 3.559 -5.524 1.00 7.35 C ATOM 291 O ASP A 81 -13.395 3.297 -4.875 1.00 6.42 O ATOM 292 CB ASP A 81 -11.803 6.003 -5.402 1.00 8.97 C ATOM 293 CG ASP A 81 -12.079 6.166 -6.885 1.00 9.79 C ATOM 294 OD1 ASP A 81 -11.141 6.496 -7.638 1.00 10.41 O ATOM 295 OD2 ASP A 81 -13.237 5.982 -7.307 1.00 9.98 O ATOM 0 H ASP A 81 -9.693 4.958 -6.221 1.00 8.34 H new ATOM 0 HA ASP A 81 -11.325 4.519 -3.928 1.00 7.85 H new ATOM 0 HB2 ASP A 81 -12.701 6.265 -4.842 1.00 8.97 H new ATOM 0 HB3 ASP A 81 -11.025 6.707 -5.105 1.00 8.97 H new ATOM 300 N GLU A 82 -12.097 2.973 -6.680 1.00 8.08 N ATOM 301 CA GLU A 82 -12.980 1.975 -7.269 1.00 7.93 C ATOM 302 C GLU A 82 -12.946 0.693 -6.444 1.00 6.97 C ATOM 303 O GLU A 82 -13.987 0.175 -6.035 1.00 6.36 O ATOM 304 CB GLU A 82 -12.570 1.699 -8.718 1.00 9.21 C ATOM 305 CG GLU A 82 -13.403 0.632 -9.406 1.00 9.80 C ATOM 306 CD GLU A 82 -12.572 -0.561 -9.829 1.00 10.67 C ATOM 307 OE1 GLU A 82 -11.686 -0.399 -10.695 1.00 11.24 O ATOM 308 OE2 GLU A 82 -12.794 -1.665 -9.293 1.00 10.93 O ATOM 0 H GLU A 82 -11.260 3.172 -7.229 1.00 8.08 H new ATOM 0 HA GLU A 82 -14.001 2.358 -7.268 1.00 7.93 H new ATOM 0 HB2 GLU A 82 -12.643 2.625 -9.288 1.00 9.21 H new ATOM 0 HB3 GLU A 82 -11.523 1.396 -8.737 1.00 9.21 H new ATOM 0 HG2 GLU A 82 -14.194 0.301 -8.733 1.00 9.80 H new ATOM 0 HG3 GLU A 82 -13.889 1.062 -10.282 1.00 9.80 H new ATOM 315 N LEU A 83 -11.741 0.197 -6.181 1.00 6.96 N ATOM 316 CA LEU A 83 -11.568 -1.020 -5.396 1.00 6.31 C ATOM 317 C LEU A 83 -12.099 -0.818 -3.979 1.00 4.93 C ATOM 318 O LEU A 83 -12.717 -1.712 -3.401 1.00 4.43 O ATOM 319 CB LEU A 83 -10.085 -1.424 -5.363 1.00 6.75 C ATOM 320 CG LEU A 83 -9.787 -2.890 -5.014 1.00 7.08 C ATOM 321 CD1 LEU A 83 -9.638 -3.069 -3.512 1.00 6.18 C ATOM 322 CD2 LEU A 83 -10.872 -3.813 -5.553 1.00 7.88 C ATOM 0 H LEU A 83 -10.869 0.620 -6.500 1.00 6.96 H new ATOM 0 HA LEU A 83 -12.136 -1.823 -5.865 1.00 6.31 H new ATOM 0 HB2 LEU A 83 -9.650 -1.209 -6.339 1.00 6.75 H new ATOM 0 HB3 LEU A 83 -9.573 -0.789 -4.640 1.00 6.75 H new ATOM 0 HG LEU A 83 -8.844 -3.159 -5.489 1.00 7.08 H new ATOM 0 HD11 LEU A 83 -9.427 -4.115 -3.289 1.00 6.18 H new ATOM 0 HD12 LEU A 83 -8.817 -2.449 -3.151 1.00 6.18 H new ATOM 0 HD13 LEU A 83 -10.562 -2.772 -3.017 1.00 6.18 H new ATOM 0 HD21 LEU A 83 -10.635 -4.844 -5.291 1.00 7.88 H new ATOM 0 HD22 LEU A 83 -11.833 -3.539 -5.117 1.00 7.88 H new ATOM 0 HD23 LEU A 83 -10.926 -3.717 -6.637 1.00 7.88 H new ATOM 334 N SER A 84 -11.866 0.368 -3.431 1.00 4.61 N ATOM 335 CA SER A 84 -12.321 0.689 -2.088 1.00 3.54 C ATOM 336 C SER A 84 -13.845 0.680 -2.013 1.00 3.20 C ATOM 337 O SER A 84 -14.419 0.230 -1.027 1.00 2.40 O ATOM 338 CB SER A 84 -11.778 2.046 -1.652 1.00 4.04 C ATOM 339 OG SER A 84 -10.363 2.064 -1.711 1.00 4.41 O ATOM 0 H SER A 84 -11.364 1.123 -3.898 1.00 4.61 H new ATOM 0 HA SER A 84 -11.941 -0.075 -1.410 1.00 3.54 H new ATOM 0 HB2 SER A 84 -12.183 2.828 -2.294 1.00 4.04 H new ATOM 0 HB3 SER A 84 -12.107 2.265 -0.636 1.00 4.04 H new ATOM 0 HG SER A 84 -10.073 1.967 -2.642 1.00 4.41 H new ATOM 345 N LEU A 85 -14.495 1.164 -3.067 1.00 4.01 N ATOM 346 CA LEU A 85 -15.953 1.194 -3.118 1.00 3.84 C ATOM 347 C LEU A 85 -16.497 -0.228 -3.011 1.00 3.28 C ATOM 348 O LEU A 85 -17.457 -0.488 -2.289 1.00 2.78 O ATOM 349 CB LEU A 85 -16.425 1.858 -4.421 1.00 4.96 C ATOM 350 CG LEU A 85 -17.807 2.526 -4.380 1.00 5.14 C ATOM 351 CD1 LEU A 85 -18.913 1.494 -4.514 1.00 4.60 C ATOM 352 CD2 LEU A 85 -17.983 3.333 -3.102 1.00 5.12 C ATOM 0 H LEU A 85 -14.036 1.540 -3.896 1.00 4.01 H new ATOM 0 HA LEU A 85 -16.331 1.780 -2.281 1.00 3.84 H new ATOM 0 HB2 LEU A 85 -15.690 2.610 -4.708 1.00 4.96 H new ATOM 0 HB3 LEU A 85 -16.433 1.103 -5.207 1.00 4.96 H new ATOM 0 HG LEU A 85 -17.873 3.209 -5.227 1.00 5.14 H new ATOM 0 HD11 LEU A 85 -19.882 1.993 -4.482 1.00 4.60 H new ATOM 0 HD12 LEU A 85 -18.807 0.968 -5.463 1.00 4.60 H new ATOM 0 HD13 LEU A 85 -18.845 0.780 -3.694 1.00 4.60 H new ATOM 0 HD21 LEU A 85 -18.970 3.796 -3.097 1.00 5.12 H new ATOM 0 HD22 LEU A 85 -17.887 2.674 -2.239 1.00 5.12 H new ATOM 0 HD23 LEU A 85 -17.218 4.108 -3.053 1.00 5.12 H new ATOM 364 N ARG A 86 -15.852 -1.146 -3.719 1.00 3.88 N ATOM 365 CA ARG A 86 -16.247 -2.548 -3.708 1.00 4.19 C ATOM 366 C ARG A 86 -16.039 -3.151 -2.318 1.00 3.70 C ATOM 367 O ARG A 86 -16.910 -3.846 -1.794 1.00 3.99 O ATOM 368 CB ARG A 86 -15.444 -3.323 -4.758 1.00 5.40 C ATOM 369 CG ARG A 86 -15.777 -2.917 -6.189 1.00 6.27 C ATOM 370 CD ARG A 86 -14.627 -3.192 -7.146 1.00 7.50 C ATOM 371 NE ARG A 86 -14.382 -4.623 -7.323 1.00 8.08 N ATOM 372 CZ ARG A 86 -13.499 -5.131 -8.185 1.00 9.13 C ATOM 373 NH1 ARG A 86 -12.762 -4.329 -8.945 1.00 9.71 N ATOM 374 NH2 ARG A 86 -13.359 -6.445 -8.284 1.00 9.73 N ATOM 0 H ARG A 86 -15.047 -0.942 -4.312 1.00 3.88 H new ATOM 0 HA ARG A 86 -17.307 -2.619 -3.954 1.00 4.19 H new ATOM 0 HB2 ARG A 86 -14.380 -3.166 -4.581 1.00 5.40 H new ATOM 0 HB3 ARG A 86 -15.633 -4.390 -4.636 1.00 5.40 H new ATOM 0 HG2 ARG A 86 -16.662 -3.459 -6.522 1.00 6.27 H new ATOM 0 HG3 ARG A 86 -16.024 -1.856 -6.216 1.00 6.27 H new ATOM 0 HD2 ARG A 86 -14.847 -2.741 -8.114 1.00 7.50 H new ATOM 0 HD3 ARG A 86 -13.722 -2.715 -6.770 1.00 7.50 H new ATOM 0 HE ARG A 86 -14.920 -5.274 -6.751 1.00 8.08 H new ATOM 0 HH11 ARG A 86 -12.869 -3.317 -8.872 1.00 9.71 H new ATOM 0 HH12 ARG A 86 -12.089 -4.725 -9.602 1.00 9.71 H new ATOM 0 HH21 ARG A 86 -13.925 -7.063 -7.703 1.00 9.73 H new ATOM 0 HH22 ARG A 86 -12.685 -6.838 -8.941 1.00 9.73 H new ATOM 388 N ALA A 87 -14.891 -2.862 -1.717 1.00 3.29 N ATOM 389 CA ALA A 87 -14.570 -3.367 -0.385 1.00 3.24 C ATOM 390 C ALA A 87 -15.520 -2.787 0.663 1.00 2.92 C ATOM 391 O ALA A 87 -15.932 -3.478 1.600 1.00 3.77 O ATOM 392 CB ALA A 87 -13.126 -3.046 -0.034 1.00 2.94 C ATOM 0 H ALA A 87 -14.164 -2.279 -2.131 1.00 3.29 H new ATOM 0 HA ALA A 87 -14.696 -4.450 -0.390 1.00 3.24 H new ATOM 0 HB1 ALA A 87 -12.900 -3.428 0.962 1.00 2.94 H new ATOM 0 HB2 ALA A 87 -12.462 -3.513 -0.761 1.00 2.94 H new ATOM 0 HB3 ALA A 87 -12.979 -1.966 -0.050 1.00 2.94 H new ATOM 398 N LEU A 88 -15.856 -1.513 0.500 1.00 2.29 N ATOM 399 CA LEU A 88 -16.769 -0.831 1.409 1.00 2.80 C ATOM 400 C LEU A 88 -18.154 -1.457 1.318 1.00 3.31 C ATOM 401 O LEU A 88 -18.808 -1.696 2.329 1.00 4.23 O ATOM 402 CB LEU A 88 -16.843 0.665 1.074 1.00 2.96 C ATOM 403 CG LEU A 88 -16.055 1.598 2.003 1.00 3.67 C ATOM 404 CD1 LEU A 88 -16.704 1.662 3.374 1.00 4.68 C ATOM 405 CD2 LEU A 88 -14.604 1.155 2.124 1.00 3.12 C ATOM 0 H LEU A 88 -15.507 -0.928 -0.259 1.00 2.29 H new ATOM 0 HA LEU A 88 -16.395 -0.939 2.427 1.00 2.80 H new ATOM 0 HB2 LEU A 88 -16.482 0.808 0.055 1.00 2.96 H new ATOM 0 HB3 LEU A 88 -17.890 0.969 1.087 1.00 2.96 H new ATOM 0 HG LEU A 88 -16.069 2.596 1.564 1.00 3.67 H new ATOM 0 HD11 LEU A 88 -16.130 2.329 4.018 1.00 4.68 H new ATOM 0 HD12 LEU A 88 -17.722 2.039 3.277 1.00 4.68 H new ATOM 0 HD13 LEU A 88 -16.726 0.665 3.813 1.00 4.68 H new ATOM 0 HD21 LEU A 88 -14.070 1.835 2.788 1.00 3.12 H new ATOM 0 HD22 LEU A 88 -14.565 0.145 2.531 1.00 3.12 H new ATOM 0 HD23 LEU A 88 -14.136 1.168 1.140 1.00 3.12 H new ATOM 417 N GLN A 89 -18.582 -1.741 0.095 1.00 2.99 N ATOM 418 CA GLN A 89 -19.881 -2.352 -0.142 1.00 3.54 C ATOM 419 C GLN A 89 -19.912 -3.774 0.413 1.00 4.52 C ATOM 420 O GLN A 89 -20.923 -4.218 0.962 1.00 5.29 O ATOM 421 CB GLN A 89 -20.190 -2.360 -1.641 1.00 3.40 C ATOM 422 CG GLN A 89 -21.490 -3.063 -1.993 1.00 3.28 C ATOM 423 CD GLN A 89 -21.791 -3.025 -3.474 1.00 3.90 C ATOM 424 OE1 GLN A 89 -22.495 -2.138 -3.955 1.00 4.41 O ATOM 425 NE2 GLN A 89 -21.259 -3.984 -4.210 1.00 4.33 N ATOM 0 H GLN A 89 -18.044 -1.556 -0.752 1.00 2.99 H new ATOM 0 HA GLN A 89 -20.642 -1.765 0.372 1.00 3.54 H new ATOM 0 HB2 GLN A 89 -20.235 -1.332 -1.999 1.00 3.40 H new ATOM 0 HB3 GLN A 89 -19.370 -2.846 -2.169 1.00 3.40 H new ATOM 0 HG2 GLN A 89 -21.438 -4.101 -1.663 1.00 3.28 H new ATOM 0 HG3 GLN A 89 -22.310 -2.596 -1.448 1.00 3.28 H new ATOM 0 HE21 GLN A 89 -20.681 -4.701 -3.772 1.00 4.33 H new ATOM 0 HE22 GLN A 89 -21.426 -4.007 -5.216 1.00 4.33 H new ATOM 434 N ALA A 90 -18.792 -4.477 0.282 1.00 4.72 N ATOM 435 CA ALA A 90 -18.680 -5.848 0.765 1.00 5.90 C ATOM 436 C ALA A 90 -18.834 -5.917 2.280 1.00 6.49 C ATOM 437 O ALA A 90 -19.471 -6.829 2.810 1.00 7.58 O ATOM 438 CB ALA A 90 -17.348 -6.449 0.344 1.00 6.16 C ATOM 0 H ALA A 90 -17.945 -4.117 -0.157 1.00 4.72 H new ATOM 0 HA ALA A 90 -19.488 -6.427 0.318 1.00 5.90 H new ATOM 0 HB1 ALA A 90 -17.278 -7.473 0.712 1.00 6.16 H new ATOM 0 HB2 ALA A 90 -17.276 -6.448 -0.744 1.00 6.16 H new ATOM 0 HB3 ALA A 90 -16.534 -5.857 0.762 1.00 6.16 H new ATOM 444 N THR A 91 -18.254 -4.948 2.974 1.00 5.96 N ATOM 445 CA THR A 91 -18.324 -4.905 4.427 1.00 6.79 C ATOM 446 C THR A 91 -19.588 -4.194 4.898 1.00 7.26 C ATOM 447 O THR A 91 -19.965 -4.283 6.065 1.00 8.28 O ATOM 448 CB THR A 91 -17.093 -4.199 5.019 1.00 6.34 C ATOM 449 OG1 THR A 91 -16.832 -2.982 4.305 1.00 5.23 O ATOM 450 CG2 THR A 91 -15.877 -5.106 4.952 1.00 6.30 C ATOM 0 H THR A 91 -17.729 -4.181 2.554 1.00 5.96 H new ATOM 0 HA THR A 91 -18.347 -5.937 4.778 1.00 6.79 H new ATOM 0 HB THR A 91 -17.298 -3.964 6.063 1.00 6.34 H new ATOM 0 HG1 THR A 91 -16.395 -3.190 3.453 1.00 5.23 H new ATOM 0 HG21 THR A 91 -15.015 -4.591 5.375 1.00 6.30 H new ATOM 0 HG22 THR A 91 -16.070 -6.016 5.520 1.00 6.30 H new ATOM 0 HG23 THR A 91 -15.672 -5.363 3.913 1.00 6.30 H new ATOM 458 N GLY A 92 -20.235 -3.488 3.982 1.00 6.62 N ATOM 459 CA GLY A 92 -21.445 -2.765 4.318 1.00 7.16 C ATOM 460 C GLY A 92 -21.171 -1.300 4.576 1.00 7.11 C ATOM 461 O GLY A 92 -22.018 -0.444 4.319 1.00 7.79 O ATOM 0 H GLY A 92 -19.942 -3.403 3.009 1.00 6.62 H new ATOM 0 HA2 GLY A 92 -22.164 -2.862 3.505 1.00 7.16 H new ATOM 0 HA3 GLY A 92 -21.901 -3.211 5.202 1.00 7.16 H new ATOM 465 N GLY A 93 -19.980 -1.013 5.078 1.00 6.52 N ATOM 466 CA GLY A 93 -19.604 0.352 5.367 1.00 6.76 C ATOM 467 C GLY A 93 -18.544 0.430 6.442 1.00 7.35 C ATOM 468 O GLY A 93 -18.665 1.208 7.389 1.00 8.35 O ATOM 0 H GLY A 93 -19.264 -1.707 5.291 1.00 6.52 H new ATOM 0 HA2 GLY A 93 -19.235 0.827 4.458 1.00 6.76 H new ATOM 0 HA3 GLY A 93 -20.484 0.912 5.684 1.00 6.76 H new ATOM 472 N ASP A 94 -17.502 -0.379 6.304 1.00 6.83 N ATOM 473 CA ASP A 94 -16.420 -0.390 7.279 1.00 7.34 C ATOM 474 C ASP A 94 -15.102 -0.026 6.611 1.00 6.34 C ATOM 475 O ASP A 94 -14.953 -0.172 5.400 1.00 5.39 O ATOM 476 CB ASP A 94 -16.299 -1.757 7.957 1.00 8.06 C ATOM 477 CG ASP A 94 -15.527 -1.678 9.262 1.00 8.93 C ATOM 478 OD1 ASP A 94 -14.281 -1.751 9.235 1.00 9.06 O ATOM 479 OD2 ASP A 94 -16.167 -1.529 10.324 1.00 9.60 O ATOM 0 H ASP A 94 -17.383 -1.033 5.530 1.00 6.83 H new ATOM 0 HA ASP A 94 -16.652 0.352 8.043 1.00 7.34 H new ATOM 0 HB2 ASP A 94 -17.295 -2.156 8.149 1.00 8.06 H new ATOM 0 HB3 ASP A 94 -15.801 -2.453 7.283 1.00 8.06 H new ATOM 484 N ILE A 95 -14.153 0.448 7.402 1.00 6.69 N ATOM 485 CA ILE A 95 -12.853 0.842 6.883 1.00 5.90 C ATOM 486 C ILE A 95 -11.829 -0.272 7.078 1.00 5.73 C ATOM 487 O ILE A 95 -11.352 -0.864 6.112 1.00 4.72 O ATOM 488 CB ILE A 95 -12.343 2.139 7.560 1.00 6.68 C ATOM 489 CG1 ILE A 95 -13.344 3.284 7.364 1.00 7.07 C ATOM 490 CG2 ILE A 95 -10.976 2.532 7.011 1.00 6.13 C ATOM 491 CD1 ILE A 95 -13.581 3.654 5.913 1.00 6.13 C ATOM 0 H ILE A 95 -14.259 0.570 8.409 1.00 6.69 H new ATOM 0 HA ILE A 95 -12.976 1.032 5.817 1.00 5.90 H new ATOM 0 HB ILE A 95 -12.244 1.946 8.628 1.00 6.68 H new ATOM 0 HG12 ILE A 95 -14.295 3.003 7.817 1.00 7.07 H new ATOM 0 HG13 ILE A 95 -12.984 4.163 7.898 1.00 7.07 H new ATOM 0 HG21 ILE A 95 -10.636 3.445 7.500 1.00 6.13 H new ATOM 0 HG22 ILE A 95 -10.263 1.731 7.203 1.00 6.13 H new ATOM 0 HG23 ILE A 95 -11.050 2.702 5.937 1.00 6.13 H new ATOM 0 HD11 ILE A 95 -14.301 4.471 5.859 1.00 6.13 H new ATOM 0 HD12 ILE A 95 -12.641 3.968 5.459 1.00 6.13 H new ATOM 0 HD13 ILE A 95 -13.972 2.790 5.376 1.00 6.13 H new ATOM 503 N GLN A 96 -11.523 -0.578 8.334 1.00 6.84 N ATOM 504 CA GLN A 96 -10.533 -1.599 8.657 1.00 7.04 C ATOM 505 C GLN A 96 -10.944 -2.976 8.152 1.00 6.72 C ATOM 506 O GLN A 96 -10.114 -3.715 7.623 1.00 6.21 O ATOM 507 CB GLN A 96 -10.277 -1.640 10.162 1.00 8.47 C ATOM 508 CG GLN A 96 -9.427 -0.481 10.655 1.00 8.96 C ATOM 509 CD GLN A 96 -8.109 -0.361 9.910 1.00 9.42 C ATOM 510 OE1 GLN A 96 -7.485 -1.491 9.609 1.00 9.63 O flip ATOM 511 NE2 GLN A 96 -7.647 0.742 9.624 1.00 9.81 N flip ATOM 0 H GLN A 96 -11.948 -0.132 9.147 1.00 6.84 H new ATOM 0 HA GLN A 96 -9.610 -1.326 8.146 1.00 7.04 H new ATOM 0 HB2 GLN A 96 -11.232 -1.631 10.687 1.00 8.47 H new ATOM 0 HB3 GLN A 96 -9.783 -2.578 10.415 1.00 8.47 H new ATOM 0 HG2 GLN A 96 -9.987 0.447 10.545 1.00 8.96 H new ATOM 0 HG3 GLN A 96 -9.228 -0.609 11.719 1.00 8.96 H new ATOM 0 HE21 GLN A 96 -8.158 1.589 9.873 1.00 9.81 H new ATOM 0 HE22 GLN A 96 -6.753 0.810 9.138 1.00 9.81 H new ATOM 520 N ALA A 97 -12.219 -3.313 8.303 1.00 7.19 N ATOM 521 CA ALA A 97 -12.713 -4.608 7.849 1.00 7.30 C ATOM 522 C ALA A 97 -12.626 -4.702 6.333 1.00 6.10 C ATOM 523 O ALA A 97 -12.370 -5.770 5.778 1.00 6.26 O ATOM 524 CB ALA A 97 -14.139 -4.841 8.323 1.00 8.11 C ATOM 0 H ALA A 97 -12.924 -2.714 8.732 1.00 7.19 H new ATOM 0 HA ALA A 97 -12.085 -5.387 8.282 1.00 7.30 H new ATOM 0 HB1 ALA A 97 -14.485 -5.813 7.972 1.00 8.11 H new ATOM 0 HB2 ALA A 97 -14.169 -4.817 9.412 1.00 8.11 H new ATOM 0 HB3 ALA A 97 -14.787 -4.060 7.925 1.00 8.11 H new ATOM 530 N ALA A 98 -12.821 -3.570 5.668 1.00 5.11 N ATOM 531 CA ALA A 98 -12.749 -3.517 4.216 1.00 3.96 C ATOM 532 C ALA A 98 -11.321 -3.777 3.760 1.00 3.50 C ATOM 533 O ALA A 98 -11.088 -4.488 2.785 1.00 3.58 O ATOM 534 CB ALA A 98 -13.237 -2.172 3.702 1.00 3.13 C ATOM 0 H ALA A 98 -13.030 -2.676 6.113 1.00 5.11 H new ATOM 0 HA ALA A 98 -13.398 -4.290 3.805 1.00 3.96 H new ATOM 0 HB1 ALA A 98 -13.175 -2.154 2.614 1.00 3.13 H new ATOM 0 HB2 ALA A 98 -14.272 -2.019 4.009 1.00 3.13 H new ATOM 0 HB3 ALA A 98 -12.615 -1.377 4.114 1.00 3.13 H new ATOM 540 N LEU A 99 -10.370 -3.212 4.499 1.00 3.43 N ATOM 541 CA LEU A 99 -8.955 -3.376 4.196 1.00 3.02 C ATOM 542 C LEU A 99 -8.555 -4.845 4.306 1.00 3.99 C ATOM 543 O LEU A 99 -7.654 -5.309 3.605 1.00 3.99 O ATOM 544 CB LEU A 99 -8.107 -2.520 5.143 1.00 3.22 C ATOM 545 CG LEU A 99 -8.496 -1.038 5.211 1.00 2.80 C ATOM 546 CD1 LEU A 99 -7.643 -0.301 6.231 1.00 3.12 C ATOM 547 CD2 LEU A 99 -8.366 -0.378 3.848 1.00 2.72 C ATOM 0 H LEU A 99 -10.558 -2.633 5.317 1.00 3.43 H new ATOM 0 HA LEU A 99 -8.777 -3.044 3.173 1.00 3.02 H new ATOM 0 HB2 LEU A 99 -8.173 -2.942 6.146 1.00 3.22 H new ATOM 0 HB3 LEU A 99 -7.064 -2.591 4.835 1.00 3.22 H new ATOM 0 HG LEU A 99 -9.539 -0.983 5.524 1.00 2.80 H new ATOM 0 HD11 LEU A 99 -7.937 0.748 6.261 1.00 3.12 H new ATOM 0 HD12 LEU A 99 -7.786 -0.747 7.215 1.00 3.12 H new ATOM 0 HD13 LEU A 99 -6.593 -0.375 5.949 1.00 3.12 H new ATOM 0 HD21 LEU A 99 -8.648 0.672 3.924 1.00 2.72 H new ATOM 0 HD22 LEU A 99 -7.334 -0.453 3.504 1.00 2.72 H new ATOM 0 HD23 LEU A 99 -9.023 -0.879 3.137 1.00 2.72 H new ATOM 559 N GLU A 100 -9.240 -5.571 5.183 1.00 5.11 N ATOM 560 CA GLU A 100 -8.977 -6.990 5.373 1.00 6.25 C ATOM 561 C GLU A 100 -9.413 -7.774 4.140 1.00 6.58 C ATOM 562 O GLU A 100 -8.711 -8.679 3.687 1.00 7.26 O ATOM 563 CB GLU A 100 -9.704 -7.515 6.610 1.00 7.44 C ATOM 564 CG GLU A 100 -9.244 -6.874 7.907 1.00 7.73 C ATOM 565 CD GLU A 100 -9.749 -7.614 9.123 1.00 8.52 C ATOM 566 OE1 GLU A 100 -9.238 -8.719 9.404 1.00 8.88 O ATOM 567 OE2 GLU A 100 -10.661 -7.099 9.798 1.00 8.97 O ATOM 0 H GLU A 100 -9.983 -5.198 5.774 1.00 5.11 H new ATOM 0 HA GLU A 100 -7.905 -7.123 5.520 1.00 6.25 H new ATOM 0 HB2 GLU A 100 -10.774 -7.345 6.491 1.00 7.44 H new ATOM 0 HB3 GLU A 100 -9.558 -8.593 6.676 1.00 7.44 H new ATOM 0 HG2 GLU A 100 -8.155 -6.845 7.929 1.00 7.73 H new ATOM 0 HG3 GLU A 100 -9.591 -5.841 7.943 1.00 7.73 H new ATOM 574 N LEU A 101 -10.571 -7.410 3.594 1.00 6.27 N ATOM 575 CA LEU A 101 -11.087 -8.066 2.399 1.00 6.77 C ATOM 576 C LEU A 101 -10.165 -7.782 1.221 1.00 6.45 C ATOM 577 O LEU A 101 -9.975 -8.627 0.342 1.00 7.40 O ATOM 578 CB LEU A 101 -12.511 -7.593 2.081 1.00 6.50 C ATOM 579 CG LEU A 101 -13.644 -8.441 2.677 1.00 7.42 C ATOM 580 CD1 LEU A 101 -13.430 -9.915 2.375 1.00 8.33 C ATOM 581 CD2 LEU A 101 -13.758 -8.215 4.175 1.00 8.03 C ATOM 0 H LEU A 101 -11.167 -6.667 3.960 1.00 6.27 H new ATOM 0 HA LEU A 101 -11.122 -9.140 2.582 1.00 6.77 H new ATOM 0 HB2 LEU A 101 -12.622 -6.569 2.438 1.00 6.50 H new ATOM 0 HB3 LEU A 101 -12.632 -7.568 0.998 1.00 6.50 H new ATOM 0 HG LEU A 101 -14.579 -8.128 2.212 1.00 7.42 H new ATOM 0 HD11 LEU A 101 -14.244 -10.497 2.807 1.00 8.33 H new ATOM 0 HD12 LEU A 101 -13.409 -10.066 1.296 1.00 8.33 H new ATOM 0 HD13 LEU A 101 -12.483 -10.241 2.806 1.00 8.33 H new ATOM 0 HD21 LEU A 101 -14.567 -8.826 4.575 1.00 8.03 H new ATOM 0 HD22 LEU A 101 -12.821 -8.493 4.657 1.00 8.03 H new ATOM 0 HD23 LEU A 101 -13.968 -7.163 4.369 1.00 8.03 H new ATOM 593 N ILE A 102 -9.589 -6.584 1.216 1.00 5.30 N ATOM 594 CA ILE A 102 -8.659 -6.178 0.168 1.00 5.26 C ATOM 595 C ILE A 102 -7.391 -7.020 0.252 1.00 5.93 C ATOM 596 O ILE A 102 -6.887 -7.505 -0.760 1.00 6.78 O ATOM 597 CB ILE A 102 -8.289 -4.679 0.277 1.00 4.06 C ATOM 598 CG1 ILE A 102 -9.539 -3.810 0.123 1.00 3.48 C ATOM 599 CG2 ILE A 102 -7.245 -4.306 -0.770 1.00 4.62 C ATOM 600 CD1 ILE A 102 -9.276 -2.330 0.309 1.00 2.57 C ATOM 0 H ILE A 102 -9.751 -5.874 1.930 1.00 5.30 H new ATOM 0 HA ILE A 102 -9.152 -6.335 -0.792 1.00 5.26 H new ATOM 0 HB ILE A 102 -7.862 -4.500 1.264 1.00 4.06 H new ATOM 0 HG12 ILE A 102 -9.965 -3.973 -0.867 1.00 3.48 H new ATOM 0 HG13 ILE A 102 -10.286 -4.132 0.848 1.00 3.48 H new ATOM 0 HG21 ILE A 102 -6.998 -3.248 -0.677 1.00 4.62 H new ATOM 0 HG22 ILE A 102 -6.346 -4.903 -0.616 1.00 4.62 H new ATOM 0 HG23 ILE A 102 -7.643 -4.499 -1.766 1.00 4.62 H new ATOM 0 HD11 ILE A 102 -10.207 -1.777 0.186 1.00 2.57 H new ATOM 0 HD12 ILE A 102 -8.879 -2.154 1.309 1.00 2.57 H new ATOM 0 HD13 ILE A 102 -8.553 -1.993 -0.433 1.00 2.57 H new ATOM 612 N PHE A 103 -6.908 -7.207 1.477 1.00 5.72 N ATOM 613 CA PHE A 103 -5.704 -7.989 1.739 1.00 6.33 C ATOM 614 C PHE A 103 -5.863 -9.419 1.225 1.00 7.75 C ATOM 615 O PHE A 103 -4.929 -9.998 0.669 1.00 8.49 O ATOM 616 CB PHE A 103 -5.424 -8.002 3.243 1.00 5.96 C ATOM 617 CG PHE A 103 -4.014 -8.370 3.614 1.00 6.06 C ATOM 618 CD1 PHE A 103 -2.999 -7.427 3.553 1.00 6.20 C ATOM 619 CD2 PHE A 103 -3.704 -9.650 4.045 1.00 6.17 C ATOM 620 CE1 PHE A 103 -1.705 -7.755 3.912 1.00 6.41 C ATOM 621 CE2 PHE A 103 -2.410 -9.985 4.402 1.00 6.39 C ATOM 622 CZ PHE A 103 -1.411 -9.035 4.337 1.00 6.50 C ATOM 0 H PHE A 103 -7.340 -6.821 2.316 1.00 5.72 H new ATOM 0 HA PHE A 103 -4.866 -7.530 1.214 1.00 6.33 H new ATOM 0 HB2 PHE A 103 -5.647 -7.015 3.649 1.00 5.96 H new ATOM 0 HB3 PHE A 103 -6.107 -8.705 3.720 1.00 5.96 H new ATOM 0 HD1 PHE A 103 -3.222 -6.424 3.221 1.00 6.20 H new ATOM 0 HD2 PHE A 103 -4.483 -10.396 4.103 1.00 6.17 H new ATOM 0 HE1 PHE A 103 -0.925 -7.010 3.860 1.00 6.41 H new ATOM 0 HE2 PHE A 103 -2.182 -10.988 4.731 1.00 6.39 H new ATOM 0 HZ PHE A 103 -0.401 -9.293 4.618 1.00 6.50 H new ATOM 632 N ALA A 104 -7.051 -9.980 1.423 1.00 8.21 N ATOM 633 CA ALA A 104 -7.341 -11.334 0.975 1.00 9.59 C ATOM 634 C ALA A 104 -7.546 -11.368 -0.537 1.00 10.06 C ATOM 635 O ALA A 104 -7.078 -12.283 -1.218 1.00 10.71 O ATOM 636 CB ALA A 104 -8.568 -11.876 1.692 1.00 10.13 C ATOM 0 H ALA A 104 -7.829 -9.516 1.892 1.00 8.21 H new ATOM 0 HA ALA A 104 -6.488 -11.968 1.218 1.00 9.59 H new ATOM 0 HB1 ALA A 104 -8.773 -12.889 1.347 1.00 10.13 H new ATOM 0 HB2 ALA A 104 -8.386 -11.888 2.767 1.00 10.13 H new ATOM 0 HB3 ALA A 104 -9.426 -11.239 1.477 1.00 10.13 H new ATOM 642 N GLY A 105 -8.242 -10.363 -1.054 1.00 9.88 N ATOM 643 CA GLY A 105 -8.499 -10.286 -2.479 1.00 10.43 C ATOM 644 C GLY A 105 -9.971 -10.408 -2.810 1.00 10.44 C ATOM 645 O GLY A 105 -10.351 -11.148 -3.719 1.00 11.29 O ATOM 0 H GLY A 105 -8.635 -9.596 -0.508 1.00 9.88 H new ATOM 0 HA2 GLY A 105 -8.121 -9.338 -2.862 1.00 10.43 H new ATOM 0 HA3 GLY A 105 -7.949 -11.078 -2.987 1.00 10.43 H new ATOM 649 N GLY A 106 -10.796 -9.690 -2.062 1.00 9.61 N ATOM 650 CA GLY A 106 -12.229 -9.720 -2.285 1.00 9.65 C ATOM 651 C GLY A 106 -12.920 -10.687 -1.351 1.00 9.16 C ATOM 652 O GLY A 106 -14.007 -10.407 -0.843 1.00 8.46 O ATOM 0 H GLY A 106 -10.497 -9.083 -1.299 1.00 9.61 H new ATOM 0 HA2 GLY A 106 -12.640 -8.721 -2.143 1.00 9.65 H new ATOM 0 HA3 GLY A 106 -12.431 -10.004 -3.318 1.00 9.65 H new ATOM 656 N ALA A 107 -12.278 -11.826 -1.128 1.00 9.69 N ATOM 657 CA ALA A 107 -12.795 -12.863 -0.249 1.00 9.44 C ATOM 658 C ALA A 107 -11.701 -13.885 0.031 1.00 10.28 C ATOM 659 O ALA A 107 -11.011 -14.317 -0.891 1.00 11.13 O ATOM 660 CB ALA A 107 -14.010 -13.543 -0.866 1.00 9.49 C ATOM 0 H ALA A 107 -11.380 -12.056 -1.554 1.00 9.69 H new ATOM 0 HA ALA A 107 -13.108 -12.404 0.689 1.00 9.44 H new ATOM 0 HB1 ALA A 107 -14.378 -14.314 -0.189 1.00 9.49 H new ATOM 0 HB2 ALA A 107 -14.794 -12.804 -1.035 1.00 9.49 H new ATOM 0 HB3 ALA A 107 -13.729 -13.998 -1.816 1.00 9.49 H new ATOM 666 N PRO A 108 -11.503 -14.260 1.301 1.00 10.24 N ATOM 667 CA PRO A 108 -10.482 -15.237 1.678 1.00 11.19 C ATOM 668 C PRO A 108 -10.886 -16.663 1.309 1.00 11.68 C ATOM 669 O PRO A 108 -11.484 -17.360 2.152 1.00 12.15 O ATOM 670 CB PRO A 108 -10.376 -15.069 3.195 1.00 11.08 C ATOM 671 CG PRO A 108 -11.706 -14.547 3.623 1.00 10.16 C ATOM 672 CD PRO A 108 -12.254 -13.754 2.467 1.00 9.48 C ATOM 673 OXT PRO A 108 -10.634 -17.074 0.158 1.00 11.71 O ATOM 0 HA PRO A 108 -9.538 -15.072 1.158 1.00 11.19 H new ATOM 0 HB2 PRO A 108 -10.150 -16.018 3.682 1.00 11.08 H new ATOM 0 HB3 PRO A 108 -9.577 -14.376 3.460 1.00 11.08 H new ATOM 0 HG2 PRO A 108 -12.377 -15.366 3.883 1.00 10.16 H new ATOM 0 HG3 PRO A 108 -11.608 -13.921 4.510 1.00 10.16 H new ATOM 0 HD2 PRO A 108 -13.326 -13.909 2.349 1.00 9.48 H new ATOM 0 HD3 PRO A 108 -12.100 -12.684 2.608 1.00 9.48 H new ATOM 682 N MET B 1 19.469 1.704 4.802 1.00 3.94 N ATOM 683 CA MET B 1 18.700 2.306 5.911 1.00 3.71 C ATOM 684 C MET B 1 17.512 1.423 6.252 1.00 3.30 C ATOM 685 O MET B 1 17.075 0.615 5.434 1.00 3.21 O ATOM 686 CB MET B 1 18.233 3.721 5.546 1.00 3.98 C ATOM 687 CG MET B 1 17.140 3.763 4.492 1.00 3.93 C ATOM 688 SD MET B 1 16.664 5.448 4.064 1.00 4.45 S ATOM 689 CE MET B 1 15.269 5.140 2.986 1.00 4.38 C ATOM 0 H1 MET B 1 19.962 2.453 4.275 1.00 3.94 H new ATOM 0 H2 MET B 1 20.166 1.034 5.186 1.00 3.94 H new ATOM 0 H3 MET B 1 18.821 1.201 4.163 1.00 3.94 H new ATOM 0 HA MET B 1 19.347 2.382 6.785 1.00 3.71 H new ATOM 0 HB2 MET B 1 17.872 4.216 6.447 1.00 3.98 H new ATOM 0 HB3 MET B 1 19.089 4.293 5.189 1.00 3.98 H new ATOM 0 HG2 MET B 1 17.483 3.246 3.596 1.00 3.93 H new ATOM 0 HG3 MET B 1 16.266 3.223 4.857 1.00 3.93 H new ATOM 0 HE1 MET B 1 15.543 5.381 1.959 1.00 4.38 H new ATOM 0 HE2 MET B 1 14.985 4.089 3.049 1.00 4.38 H new ATOM 0 HE3 MET B 1 14.428 5.762 3.293 1.00 4.38 H new ATOM 701 N GLN B 2 16.997 1.576 7.458 1.00 3.23 N ATOM 702 CA GLN B 2 15.869 0.781 7.909 1.00 3.03 C ATOM 703 C GLN B 2 14.544 1.433 7.529 1.00 2.89 C ATOM 704 O GLN B 2 14.352 2.632 7.726 1.00 3.18 O ATOM 705 CB GLN B 2 15.937 0.587 9.424 1.00 3.32 C ATOM 706 CG GLN B 2 14.800 -0.252 9.989 1.00 3.40 C ATOM 707 CD GLN B 2 14.737 -0.213 11.502 1.00 3.92 C ATOM 708 OE1 GLN B 2 15.062 0.933 12.080 1.00 4.23 O flip ATOM 709 NE2 GLN B 2 14.373 -1.194 12.145 1.00 4.19 N flip ATOM 0 H GLN B 2 17.343 2.246 8.145 1.00 3.23 H new ATOM 0 HA GLN B 2 15.923 -0.190 7.416 1.00 3.03 H new ATOM 0 HB2 GLN B 2 16.886 0.114 9.678 1.00 3.32 H new ATOM 0 HB3 GLN B 2 15.929 1.564 9.906 1.00 3.32 H new ATOM 0 HG2 GLN B 2 13.854 0.105 9.581 1.00 3.40 H new ATOM 0 HG3 GLN B 2 14.919 -1.285 9.661 1.00 3.40 H new ATOM 0 HE21 GLN B 2 14.131 -2.059 11.662 1.00 4.19 H new ATOM 0 HE22 GLN B 2 14.313 -1.143 13.162 1.00 4.19 H new ATOM 718 N ILE B 3 13.641 0.641 6.964 1.00 2.59 N ATOM 719 CA ILE B 3 12.323 1.127 6.582 1.00 2.46 C ATOM 720 C ILE B 3 11.254 0.182 7.113 1.00 2.37 C ATOM 721 O ILE B 3 11.520 -1.001 7.339 1.00 2.51 O ATOM 722 CB ILE B 3 12.157 1.265 5.051 1.00 2.36 C ATOM 723 CG1 ILE B 3 12.525 -0.042 4.345 1.00 2.27 C ATOM 724 CG2 ILE B 3 12.998 2.418 4.520 1.00 2.82 C ATOM 725 CD1 ILE B 3 11.848 -0.216 3.004 1.00 2.38 C ATOM 0 H ILE B 3 13.800 -0.346 6.760 1.00 2.59 H new ATOM 0 HA ILE B 3 12.213 2.120 7.017 1.00 2.46 H new ATOM 0 HB ILE B 3 11.110 1.482 4.841 1.00 2.36 H new ATOM 0 HG12 ILE B 3 13.605 -0.078 4.205 1.00 2.27 H new ATOM 0 HG13 ILE B 3 12.259 -0.880 4.989 1.00 2.27 H new ATOM 0 HG21 ILE B 3 12.867 2.497 3.441 1.00 2.82 H new ATOM 0 HG22 ILE B 3 12.682 3.347 4.994 1.00 2.82 H new ATOM 0 HG23 ILE B 3 14.049 2.236 4.745 1.00 2.82 H new ATOM 0 HD11 ILE B 3 12.155 -1.164 2.562 1.00 2.38 H new ATOM 0 HD12 ILE B 3 10.766 -0.212 3.139 1.00 2.38 H new ATOM 0 HD13 ILE B 3 12.134 0.602 2.343 1.00 2.38 H new ATOM 737 N PHE B 4 10.056 0.701 7.325 1.00 2.37 N ATOM 738 CA PHE B 4 8.965 -0.114 7.833 1.00 2.50 C ATOM 739 C PHE B 4 7.838 -0.195 6.817 1.00 2.11 C ATOM 740 O PHE B 4 7.207 0.812 6.495 1.00 1.98 O ATOM 741 CB PHE B 4 8.435 0.454 9.151 1.00 3.07 C ATOM 742 CG PHE B 4 9.454 0.477 10.254 1.00 3.52 C ATOM 743 CD1 PHE B 4 9.920 -0.702 10.812 1.00 3.82 C ATOM 744 CD2 PHE B 4 9.948 1.679 10.731 1.00 3.79 C ATOM 745 CE1 PHE B 4 10.856 -0.683 11.825 1.00 4.25 C ATOM 746 CE2 PHE B 4 10.885 1.704 11.744 1.00 4.21 C ATOM 747 CZ PHE B 4 11.339 0.522 12.292 1.00 4.39 C ATOM 0 H PHE B 4 9.815 1.677 7.154 1.00 2.37 H new ATOM 0 HA PHE B 4 9.351 -1.118 8.012 1.00 2.50 H new ATOM 0 HB2 PHE B 4 8.075 1.469 8.980 1.00 3.07 H new ATOM 0 HB3 PHE B 4 7.578 -0.138 9.473 1.00 3.07 H new ATOM 0 HD1 PHE B 4 9.546 -1.648 10.449 1.00 3.82 H new ATOM 0 HD2 PHE B 4 9.596 2.607 10.306 1.00 3.79 H new ATOM 0 HE1 PHE B 4 11.210 -1.610 12.252 1.00 4.25 H new ATOM 0 HE2 PHE B 4 11.263 2.648 12.108 1.00 4.21 H new ATOM 0 HZ PHE B 4 12.071 0.540 13.085 1.00 4.39 H new ATOM 757 N VAL B 5 7.601 -1.385 6.300 1.00 2.12 N ATOM 758 CA VAL B 5 6.539 -1.589 5.332 1.00 1.86 C ATOM 759 C VAL B 5 5.306 -2.126 6.052 1.00 2.31 C ATOM 760 O VAL B 5 5.260 -3.291 6.445 1.00 2.88 O ATOM 761 CB VAL B 5 6.970 -2.555 4.208 1.00 1.97 C ATOM 762 CG1 VAL B 5 5.925 -2.603 3.107 1.00 1.84 C ATOM 763 CG2 VAL B 5 8.325 -2.153 3.644 1.00 1.92 C ATOM 0 H VAL B 5 8.129 -2.226 6.534 1.00 2.12 H new ATOM 0 HA VAL B 5 6.308 -0.633 4.863 1.00 1.86 H new ATOM 0 HB VAL B 5 7.059 -3.554 4.635 1.00 1.97 H new ATOM 0 HG11 VAL B 5 6.251 -3.290 2.326 1.00 1.84 H new ATOM 0 HG12 VAL B 5 4.977 -2.946 3.520 1.00 1.84 H new ATOM 0 HG13 VAL B 5 5.797 -1.607 2.683 1.00 1.84 H new ATOM 0 HG21 VAL B 5 8.610 -2.847 2.853 1.00 1.92 H new ATOM 0 HG22 VAL B 5 8.265 -1.144 3.237 1.00 1.92 H new ATOM 0 HG23 VAL B 5 9.072 -2.180 4.437 1.00 1.92 H new ATOM 773 N LYS B 6 4.319 -1.264 6.232 1.00 2.22 N ATOM 774 CA LYS B 6 3.102 -1.624 6.941 1.00 2.75 C ATOM 775 C LYS B 6 1.934 -1.798 5.978 1.00 2.53 C ATOM 776 O LYS B 6 1.690 -0.950 5.118 1.00 2.01 O ATOM 777 CB LYS B 6 2.778 -0.534 7.964 1.00 3.10 C ATOM 778 CG LYS B 6 1.791 -0.949 9.039 1.00 3.77 C ATOM 779 CD LYS B 6 1.676 0.122 10.113 1.00 4.23 C ATOM 780 CE LYS B 6 0.719 -0.288 11.214 1.00 4.92 C ATOM 781 NZ LYS B 6 0.580 0.767 12.253 1.00 5.45 N ATOM 0 H LYS B 6 4.338 -0.302 5.894 1.00 2.22 H new ATOM 0 HA LYS B 6 3.261 -2.576 7.448 1.00 2.75 H new ATOM 0 HB2 LYS B 6 3.704 -0.217 8.443 1.00 3.10 H new ATOM 0 HB3 LYS B 6 2.378 0.333 7.437 1.00 3.10 H new ATOM 0 HG2 LYS B 6 0.813 -1.127 8.591 1.00 3.77 H new ATOM 0 HG3 LYS B 6 2.111 -1.888 9.489 1.00 3.77 H new ATOM 0 HD2 LYS B 6 2.660 0.316 10.540 1.00 4.23 H new ATOM 0 HD3 LYS B 6 1.334 1.054 9.662 1.00 4.23 H new ATOM 0 HE2 LYS B 6 -0.259 -0.503 10.783 1.00 4.92 H new ATOM 0 HE3 LYS B 6 1.073 -1.209 11.678 1.00 4.92 H new ATOM 0 HZ1 LYS B 6 -0.083 0.446 12.987 1.00 5.45 H new ATOM 0 HZ2 LYS B 6 1.508 0.955 12.683 1.00 5.45 H new ATOM 0 HZ3 LYS B 6 0.218 1.639 11.816 1.00 5.45 H new ATOM 795 N THR B 7 1.226 -2.905 6.114 1.00 3.04 N ATOM 796 CA THR B 7 0.079 -3.177 5.269 1.00 3.03 C ATOM 797 C THR B 7 -1.167 -2.514 5.844 1.00 3.25 C ATOM 798 O THR B 7 -1.155 -2.029 6.977 1.00 3.60 O ATOM 799 CB THR B 7 -0.172 -4.692 5.129 1.00 3.68 C ATOM 800 OG1 THR B 7 -0.591 -5.236 6.386 1.00 4.31 O ATOM 801 CG2 THR B 7 1.083 -5.410 4.654 1.00 3.69 C ATOM 0 H THR B 7 1.426 -3.630 6.803 1.00 3.04 H new ATOM 0 HA THR B 7 0.294 -2.768 4.282 1.00 3.03 H new ATOM 0 HB THR B 7 -0.957 -4.840 4.387 1.00 3.68 H new ATOM 0 HG1 THR B 7 -1.473 -5.650 6.285 1.00 4.31 H new ATOM 0 HG21 THR B 7 0.879 -6.477 4.563 1.00 3.69 H new ATOM 0 HG22 THR B 7 1.383 -5.014 3.684 1.00 3.69 H new ATOM 0 HG23 THR B 7 1.886 -5.254 5.374 1.00 3.69 H new ATOM 809 N LEU B 8 -2.245 -2.511 5.068 1.00 3.25 N ATOM 810 CA LEU B 8 -3.499 -1.903 5.499 1.00 3.52 C ATOM 811 C LEU B 8 -4.103 -2.650 6.689 1.00 4.35 C ATOM 812 O LEU B 8 -4.866 -2.081 7.475 1.00 4.72 O ATOM 813 CB LEU B 8 -4.494 -1.889 4.342 1.00 3.31 C ATOM 814 CG LEU B 8 -4.028 -1.135 3.097 1.00 2.62 C ATOM 815 CD1 LEU B 8 -5.060 -1.256 1.988 1.00 2.63 C ATOM 816 CD2 LEU B 8 -3.761 0.325 3.432 1.00 2.72 C ATOM 0 H LEU B 8 -2.276 -2.923 4.136 1.00 3.25 H new ATOM 0 HA LEU B 8 -3.285 -0.881 5.813 1.00 3.52 H new ATOM 0 HB2 LEU B 8 -4.717 -2.919 4.062 1.00 3.31 H new ATOM 0 HB3 LEU B 8 -5.426 -1.444 4.690 1.00 3.31 H new ATOM 0 HG LEU B 8 -3.097 -1.580 2.746 1.00 2.62 H new ATOM 0 HD11 LEU B 8 -4.714 -0.714 1.108 1.00 2.63 H new ATOM 0 HD12 LEU B 8 -5.200 -2.307 1.735 1.00 2.63 H new ATOM 0 HD13 LEU B 8 -6.007 -0.834 2.325 1.00 2.63 H new ATOM 0 HD21 LEU B 8 -3.430 0.849 2.536 1.00 2.72 H new ATOM 0 HD22 LEU B 8 -4.676 0.786 3.805 1.00 2.72 H new ATOM 0 HD23 LEU B 8 -2.986 0.387 4.196 1.00 2.72 H new ATOM 828 N THR B 9 -3.749 -3.919 6.823 1.00 4.73 N ATOM 829 CA THR B 9 -4.260 -4.737 7.907 1.00 5.55 C ATOM 830 C THR B 9 -3.483 -4.495 9.201 1.00 5.75 C ATOM 831 O THR B 9 -3.963 -4.813 10.290 1.00 6.45 O ATOM 832 CB THR B 9 -4.210 -6.229 7.540 1.00 5.98 C ATOM 833 OG1 THR B 9 -3.014 -6.515 6.796 1.00 5.57 O ATOM 834 CG2 THR B 9 -5.427 -6.616 6.715 1.00 6.63 C ATOM 0 H THR B 9 -3.109 -4.403 6.193 1.00 4.73 H new ATOM 0 HA THR B 9 -5.298 -4.448 8.069 1.00 5.55 H new ATOM 0 HB THR B 9 -4.209 -6.810 8.463 1.00 5.98 H new ATOM 0 HG1 THR B 9 -3.252 -6.775 5.882 1.00 5.57 H new ATOM 0 HG21 THR B 9 -5.375 -7.675 6.464 1.00 6.63 H new ATOM 0 HG22 THR B 9 -6.333 -6.423 7.290 1.00 6.63 H new ATOM 0 HG23 THR B 9 -5.447 -6.027 5.798 1.00 6.63 H new ATOM 842 N GLY B 10 -2.294 -3.916 9.080 1.00 5.22 N ATOM 843 CA GLY B 10 -1.485 -3.641 10.251 1.00 5.46 C ATOM 844 C GLY B 10 -0.206 -4.451 10.287 1.00 5.45 C ATOM 845 O GLY B 10 0.622 -4.270 11.179 1.00 5.66 O ATOM 0 H GLY B 10 -1.877 -3.633 8.193 1.00 5.22 H new ATOM 0 HA2 GLY B 10 -1.238 -2.580 10.274 1.00 5.46 H new ATOM 0 HA3 GLY B 10 -2.068 -3.852 11.147 1.00 5.46 H new ATOM 849 N LYS B 11 -0.037 -5.336 9.315 1.00 5.32 N ATOM 850 CA LYS B 11 1.152 -6.174 9.246 1.00 5.39 C ATOM 851 C LYS B 11 2.358 -5.327 8.864 1.00 4.77 C ATOM 852 O LYS B 11 2.458 -4.851 7.735 1.00 4.21 O ATOM 853 CB LYS B 11 0.955 -7.305 8.231 1.00 5.58 C ATOM 854 CG LYS B 11 2.026 -8.384 8.296 1.00 5.83 C ATOM 855 CD LYS B 11 1.838 -9.419 7.198 1.00 6.11 C ATOM 856 CE LYS B 11 2.443 -10.762 7.584 1.00 6.82 C ATOM 857 NZ LYS B 11 3.925 -10.704 7.692 1.00 6.90 N ATOM 0 H LYS B 11 -0.708 -5.492 8.563 1.00 5.32 H new ATOM 0 HA LYS B 11 1.325 -6.619 10.226 1.00 5.39 H new ATOM 0 HB2 LYS B 11 -0.020 -7.764 8.397 1.00 5.58 H new ATOM 0 HB3 LYS B 11 0.941 -6.881 7.227 1.00 5.58 H new ATOM 0 HG2 LYS B 11 3.011 -7.927 8.203 1.00 5.83 H new ATOM 0 HG3 LYS B 11 1.993 -8.874 9.269 1.00 5.83 H new ATOM 0 HD2 LYS B 11 0.775 -9.544 6.993 1.00 6.11 H new ATOM 0 HD3 LYS B 11 2.300 -9.062 6.278 1.00 6.11 H new ATOM 0 HE2 LYS B 11 2.024 -11.086 8.537 1.00 6.82 H new ATOM 0 HE3 LYS B 11 2.164 -11.510 6.842 1.00 6.82 H new ATOM 0 HZ1 LYS B 11 4.288 -11.632 7.990 1.00 6.90 H new ATOM 0 HZ2 LYS B 11 4.331 -10.454 6.768 1.00 6.90 H new ATOM 0 HZ3 LYS B 11 4.194 -9.986 8.394 1.00 6.90 H new ATOM 871 N THR B 12 3.253 -5.121 9.811 1.00 4.90 N ATOM 872 CA THR B 12 4.442 -4.326 9.571 1.00 4.39 C ATOM 873 C THR B 12 5.658 -5.220 9.353 1.00 4.49 C ATOM 874 O THR B 12 6.081 -5.941 10.257 1.00 5.01 O ATOM 875 CB THR B 12 4.705 -3.367 10.747 1.00 4.56 C ATOM 876 OG1 THR B 12 3.459 -2.853 11.240 1.00 4.81 O ATOM 877 CG2 THR B 12 5.600 -2.213 10.318 1.00 4.02 C ATOM 0 H THR B 12 3.179 -5.495 10.757 1.00 4.90 H new ATOM 0 HA THR B 12 4.272 -3.739 8.669 1.00 4.39 H new ATOM 0 HB THR B 12 5.212 -3.922 11.536 1.00 4.56 H new ATOM 0 HG1 THR B 12 3.630 -2.245 11.989 1.00 4.81 H new ATOM 0 HG21 THR B 12 5.771 -1.550 11.166 1.00 4.02 H new ATOM 0 HG22 THR B 12 6.554 -2.604 9.965 1.00 4.02 H new ATOM 0 HG23 THR B 12 5.117 -1.657 9.515 1.00 4.02 H new ATOM 885 N ILE B 13 6.201 -5.191 8.149 1.00 4.04 N ATOM 886 CA ILE B 13 7.368 -5.993 7.828 1.00 4.20 C ATOM 887 C ILE B 13 8.603 -5.105 7.750 1.00 3.72 C ATOM 888 O ILE B 13 8.516 -3.927 7.390 1.00 3.18 O ATOM 889 CB ILE B 13 7.199 -6.765 6.496 1.00 4.30 C ATOM 890 CG1 ILE B 13 7.226 -5.807 5.306 1.00 3.68 C ATOM 891 CG2 ILE B 13 5.900 -7.556 6.510 1.00 4.88 C ATOM 892 CD1 ILE B 13 7.402 -6.497 3.971 1.00 3.94 C ATOM 0 H ILE B 13 5.853 -4.621 7.378 1.00 4.04 H new ATOM 0 HA ILE B 13 7.486 -6.728 8.624 1.00 4.20 H new ATOM 0 HB ILE B 13 8.033 -7.459 6.392 1.00 4.30 H new ATOM 0 HG12 ILE B 13 6.298 -5.236 5.290 1.00 3.68 H new ATOM 0 HG13 ILE B 13 8.037 -5.092 5.445 1.00 3.68 H new ATOM 0 HG21 ILE B 13 5.792 -8.095 5.569 1.00 4.88 H new ATOM 0 HG22 ILE B 13 5.916 -8.268 7.335 1.00 4.88 H new ATOM 0 HG23 ILE B 13 5.060 -6.873 6.636 1.00 4.88 H new ATOM 0 HD11 ILE B 13 7.411 -5.752 3.175 1.00 3.94 H new ATOM 0 HD12 ILE B 13 8.344 -7.045 3.966 1.00 3.94 H new ATOM 0 HD13 ILE B 13 6.577 -7.191 3.809 1.00 3.94 H new ATOM 904 N THR B 14 9.743 -5.658 8.111 1.00 3.98 N ATOM 905 CA THR B 14 10.987 -4.915 8.076 1.00 3.64 C ATOM 906 C THR B 14 11.720 -5.152 6.764 1.00 3.52 C ATOM 907 O THR B 14 11.489 -6.158 6.087 1.00 3.96 O ATOM 908 CB THR B 14 11.894 -5.316 9.250 1.00 4.07 C ATOM 909 OG1 THR B 14 11.423 -6.545 9.824 1.00 4.66 O ATOM 910 CG2 THR B 14 11.919 -4.229 10.310 1.00 4.07 C ATOM 0 H THR B 14 9.834 -6.622 8.433 1.00 3.98 H new ATOM 0 HA THR B 14 10.743 -3.856 8.161 1.00 3.64 H new ATOM 0 HB THR B 14 12.908 -5.452 8.874 1.00 4.07 H new ATOM 0 HG1 THR B 14 12.003 -6.800 10.571 1.00 4.66 H new ATOM 0 HG21 THR B 14 12.567 -4.536 11.131 1.00 4.07 H new ATOM 0 HG22 THR B 14 12.298 -3.305 9.874 1.00 4.07 H new ATOM 0 HG23 THR B 14 10.910 -4.065 10.687 1.00 4.07 H new ATOM 918 N LEU B 15 12.579 -4.212 6.396 1.00 3.09 N ATOM 919 CA LEU B 15 13.354 -4.324 5.175 1.00 3.19 C ATOM 920 C LEU B 15 14.592 -3.442 5.265 1.00 3.10 C ATOM 921 O LEU B 15 14.511 -2.283 5.677 1.00 2.80 O ATOM 922 CB LEU B 15 12.512 -3.927 3.961 1.00 3.02 C ATOM 923 CG LEU B 15 12.888 -4.631 2.656 1.00 3.52 C ATOM 924 CD1 LEU B 15 12.426 -6.079 2.678 1.00 4.02 C ATOM 925 CD2 LEU B 15 12.291 -3.899 1.465 1.00 3.47 C ATOM 0 H LEU B 15 12.755 -3.361 6.930 1.00 3.09 H new ATOM 0 HA LEU B 15 13.662 -5.362 5.053 1.00 3.19 H new ATOM 0 HB2 LEU B 15 11.465 -4.135 4.180 1.00 3.02 H new ATOM 0 HB3 LEU B 15 12.599 -2.850 3.814 1.00 3.02 H new ATOM 0 HG LEU B 15 13.974 -4.619 2.559 1.00 3.52 H new ATOM 0 HD11 LEU B 15 12.702 -6.563 1.741 1.00 4.02 H new ATOM 0 HD12 LEU B 15 12.901 -6.600 3.510 1.00 4.02 H new ATOM 0 HD13 LEU B 15 11.343 -6.114 2.799 1.00 4.02 H new ATOM 0 HD21 LEU B 15 12.569 -4.414 0.545 1.00 3.47 H new ATOM 0 HD22 LEU B 15 11.205 -3.880 1.557 1.00 3.47 H new ATOM 0 HD23 LEU B 15 12.671 -2.878 1.438 1.00 3.47 H new ATOM 937 N GLU B 16 15.737 -3.995 4.897 1.00 3.49 N ATOM 938 CA GLU B 16 16.989 -3.257 4.939 1.00 3.55 C ATOM 939 C GLU B 16 17.439 -2.904 3.525 1.00 3.81 C ATOM 940 O GLU B 16 18.031 -3.730 2.828 1.00 4.27 O ATOM 941 CB GLU B 16 18.068 -4.077 5.650 1.00 3.90 C ATOM 942 CG GLU B 16 17.612 -4.653 6.981 1.00 3.90 C ATOM 943 CD GLU B 16 18.743 -4.776 7.977 1.00 4.28 C ATOM 944 OE1 GLU B 16 19.543 -5.732 7.868 1.00 4.63 O ATOM 945 OE2 GLU B 16 18.848 -3.909 8.869 1.00 4.35 O ATOM 0 H GLU B 16 15.825 -4.955 4.565 1.00 3.49 H new ATOM 0 HA GLU B 16 16.831 -2.334 5.497 1.00 3.55 H new ATOM 0 HB2 GLU B 16 18.382 -4.893 4.998 1.00 3.90 H new ATOM 0 HB3 GLU B 16 18.942 -3.447 5.816 1.00 3.90 H new ATOM 0 HG2 GLU B 16 16.831 -4.018 7.400 1.00 3.90 H new ATOM 0 HG3 GLU B 16 17.169 -5.635 6.816 1.00 3.90 H new ATOM 952 N VAL B 17 17.140 -1.685 3.100 1.00 3.69 N ATOM 953 CA VAL B 17 17.507 -1.230 1.767 1.00 4.13 C ATOM 954 C VAL B 17 18.169 0.140 1.825 1.00 4.32 C ATOM 955 O VAL B 17 17.959 0.900 2.771 1.00 4.09 O ATOM 956 CB VAL B 17 16.282 -1.155 0.829 1.00 4.08 C ATOM 957 CG1 VAL B 17 15.821 -2.546 0.428 1.00 4.20 C ATOM 958 CG2 VAL B 17 15.145 -0.390 1.488 1.00 3.58 C ATOM 0 H VAL B 17 16.643 -0.992 3.660 1.00 3.69 H new ATOM 0 HA VAL B 17 18.210 -1.962 1.368 1.00 4.13 H new ATOM 0 HB VAL B 17 16.582 -0.620 -0.072 1.00 4.08 H new ATOM 0 HG11 VAL B 17 14.957 -2.467 -0.232 1.00 4.20 H new ATOM 0 HG12 VAL B 17 16.629 -3.061 -0.091 1.00 4.20 H new ATOM 0 HG13 VAL B 17 15.545 -3.109 1.320 1.00 4.20 H new ATOM 0 HG21 VAL B 17 14.293 -0.349 0.810 1.00 3.58 H new ATOM 0 HG22 VAL B 17 14.852 -0.895 2.409 1.00 3.58 H new ATOM 0 HG23 VAL B 17 15.474 0.623 1.719 1.00 3.58 H new ATOM 968 N GLU B 18 18.959 0.455 0.814 1.00 4.88 N ATOM 969 CA GLU B 18 19.644 1.735 0.762 1.00 5.24 C ATOM 970 C GLU B 18 18.760 2.767 0.080 1.00 5.46 C ATOM 971 O GLU B 18 17.875 2.409 -0.689 1.00 5.46 O ATOM 972 CB GLU B 18 20.971 1.606 0.003 1.00 5.81 C ATOM 973 CG GLU B 18 22.064 0.903 0.792 1.00 5.71 C ATOM 974 CD GLU B 18 22.152 1.391 2.224 1.00 5.42 C ATOM 975 OE1 GLU B 18 22.793 2.438 2.466 1.00 5.63 O ATOM 976 OE2 GLU B 18 21.574 0.732 3.112 1.00 5.09 O ATOM 0 H GLU B 18 19.142 -0.157 0.019 1.00 4.88 H new ATOM 0 HA GLU B 18 19.855 2.057 1.782 1.00 5.24 H new ATOM 0 HB2 GLU B 18 20.797 1.060 -0.924 1.00 5.81 H new ATOM 0 HB3 GLU B 18 21.319 2.601 -0.274 1.00 5.81 H new ATOM 0 HG2 GLU B 18 21.877 -0.171 0.788 1.00 5.71 H new ATOM 0 HG3 GLU B 18 23.023 1.061 0.298 1.00 5.71 H new ATOM 983 N PRO B 19 18.974 4.061 0.355 1.00 5.75 N ATOM 984 CA PRO B 19 18.198 5.142 -0.271 1.00 6.08 C ATOM 985 C PRO B 19 18.364 5.144 -1.795 1.00 6.61 C ATOM 986 O PRO B 19 17.563 5.735 -2.528 1.00 6.79 O ATOM 987 CB PRO B 19 18.801 6.414 0.335 1.00 6.47 C ATOM 988 CG PRO B 19 19.480 5.971 1.585 1.00 6.13 C ATOM 989 CD PRO B 19 19.969 4.582 1.311 1.00 5.84 C ATOM 0 HA PRO B 19 17.128 5.042 -0.091 1.00 6.08 H new ATOM 0 HB2 PRO B 19 19.507 6.880 -0.352 1.00 6.47 H new ATOM 0 HB3 PRO B 19 18.028 7.153 0.548 1.00 6.47 H new ATOM 0 HG2 PRO B 19 20.307 6.634 1.837 1.00 6.13 H new ATOM 0 HG3 PRO B 19 18.792 5.984 2.430 1.00 6.13 H new ATOM 0 HD2 PRO B 19 20.973 4.584 0.887 1.00 5.84 H new ATOM 0 HD3 PRO B 19 20.008 3.982 2.220 1.00 5.84 H new ATOM 997 N SER B 20 19.416 4.478 -2.251 1.00 6.88 N ATOM 998 CA SER B 20 19.722 4.368 -3.667 1.00 7.46 C ATOM 999 C SER B 20 19.001 3.178 -4.304 1.00 7.30 C ATOM 1000 O SER B 20 19.012 3.012 -5.527 1.00 7.78 O ATOM 1001 CB SER B 20 21.228 4.218 -3.834 1.00 7.90 C ATOM 1002 OG SER B 20 21.834 3.863 -2.597 1.00 7.58 O ATOM 0 H SER B 20 20.082 3.998 -1.646 1.00 6.88 H new ATOM 0 HA SER B 20 19.376 5.270 -4.172 1.00 7.46 H new ATOM 0 HB2 SER B 20 21.443 3.455 -4.583 1.00 7.90 H new ATOM 0 HB3 SER B 20 21.654 5.152 -4.199 1.00 7.90 H new ATOM 0 HG SER B 20 22.801 3.769 -2.722 1.00 7.58 H new ATOM 1008 N ASP B 21 18.380 2.350 -3.471 1.00 6.67 N ATOM 1009 CA ASP B 21 17.656 1.182 -3.955 1.00 6.54 C ATOM 1010 C ASP B 21 16.366 1.612 -4.633 1.00 6.58 C ATOM 1011 O ASP B 21 15.589 2.393 -4.077 1.00 6.35 O ATOM 1012 CB ASP B 21 17.339 0.213 -2.810 1.00 5.90 C ATOM 1013 CG ASP B 21 18.344 -0.918 -2.690 1.00 6.06 C ATOM 1014 OD1 ASP B 21 18.383 -1.785 -3.594 1.00 6.52 O ATOM 1015 OD2 ASP B 21 19.097 -0.953 -1.688 1.00 5.79 O ATOM 0 H ASP B 21 18.364 2.467 -2.458 1.00 6.67 H new ATOM 0 HA ASP B 21 18.292 0.667 -4.675 1.00 6.54 H new ATOM 0 HB2 ASP B 21 17.310 0.766 -1.871 1.00 5.90 H new ATOM 0 HB3 ASP B 21 16.345 -0.207 -2.963 1.00 5.90 H new ATOM 1020 N THR B 22 16.157 1.127 -5.844 1.00 6.93 N ATOM 1021 CA THR B 22 14.961 1.448 -6.595 1.00 7.01 C ATOM 1022 C THR B 22 13.761 0.700 -6.027 1.00 6.40 C ATOM 1023 O THR B 22 13.908 -0.392 -5.468 1.00 6.11 O ATOM 1024 CB THR B 22 15.131 1.088 -8.083 1.00 7.68 C ATOM 1025 OG1 THR B 22 16.147 0.085 -8.227 1.00 7.91 O ATOM 1026 CG2 THR B 22 15.503 2.315 -8.904 1.00 8.28 C ATOM 0 H THR B 22 16.805 0.506 -6.329 1.00 6.93 H new ATOM 0 HA THR B 22 14.792 2.522 -6.510 1.00 7.01 H new ATOM 0 HB THR B 22 14.180 0.703 -8.452 1.00 7.68 H new ATOM 0 HG1 THR B 22 16.250 -0.142 -9.175 1.00 7.91 H new ATOM 0 HG21 THR B 22 15.617 2.032 -9.950 1.00 8.28 H new ATOM 0 HG22 THR B 22 14.717 3.065 -8.814 1.00 8.28 H new ATOM 0 HG23 THR B 22 16.442 2.728 -8.536 1.00 8.28 H new ATOM 1034 N ILE B 23 12.579 1.289 -6.170 1.00 6.25 N ATOM 1035 CA ILE B 23 11.345 0.683 -5.677 1.00 5.69 C ATOM 1036 C ILE B 23 11.155 -0.715 -6.273 1.00 5.85 C ATOM 1037 O ILE B 23 10.564 -1.597 -5.644 1.00 5.45 O ATOM 1038 CB ILE B 23 10.121 1.573 -5.998 1.00 5.64 C ATOM 1039 CG1 ILE B 23 10.283 2.958 -5.357 1.00 5.64 C ATOM 1040 CG2 ILE B 23 8.830 0.919 -5.525 1.00 5.05 C ATOM 1041 CD1 ILE B 23 10.449 2.927 -3.852 1.00 5.05 C ATOM 0 H ILE B 23 12.448 2.192 -6.626 1.00 6.25 H new ATOM 0 HA ILE B 23 11.427 0.593 -4.594 1.00 5.69 H new ATOM 0 HB ILE B 23 10.065 1.691 -7.080 1.00 5.64 H new ATOM 0 HG12 ILE B 23 11.150 3.451 -5.797 1.00 5.64 H new ATOM 0 HG13 ILE B 23 9.412 3.565 -5.603 1.00 5.64 H new ATOM 0 HG21 ILE B 23 7.986 1.566 -5.763 1.00 5.05 H new ATOM 0 HG22 ILE B 23 8.704 -0.041 -6.025 1.00 5.05 H new ATOM 0 HG23 ILE B 23 8.875 0.763 -4.447 1.00 5.05 H new ATOM 0 HD11 ILE B 23 10.557 3.945 -3.477 1.00 5.05 H new ATOM 0 HD12 ILE B 23 9.572 2.465 -3.399 1.00 5.05 H new ATOM 0 HD13 ILE B 23 11.337 2.349 -3.596 1.00 5.05 H new ATOM 1053 N GLU B 24 11.679 -0.914 -7.478 1.00 6.53 N ATOM 1054 CA GLU B 24 11.599 -2.202 -8.149 1.00 6.87 C ATOM 1055 C GLU B 24 12.266 -3.288 -7.304 1.00 6.77 C ATOM 1056 O GLU B 24 11.683 -4.349 -7.065 1.00 6.75 O ATOM 1057 CB GLU B 24 12.269 -2.121 -9.520 1.00 7.65 C ATOM 1058 CG GLU B 24 12.014 -3.339 -10.386 1.00 8.08 C ATOM 1059 CD GLU B 24 12.653 -3.231 -11.753 1.00 8.84 C ATOM 1060 OE1 GLU B 24 12.026 -2.654 -12.665 1.00 9.18 O ATOM 1061 OE2 GLU B 24 13.780 -3.736 -11.928 1.00 9.13 O ATOM 0 H GLU B 24 12.166 -0.193 -8.011 1.00 6.53 H new ATOM 0 HA GLU B 24 10.548 -2.460 -8.281 1.00 6.87 H new ATOM 0 HB2 GLU B 24 11.910 -1.233 -10.040 1.00 7.65 H new ATOM 0 HB3 GLU B 24 13.344 -1.999 -9.385 1.00 7.65 H new ATOM 0 HG2 GLU B 24 12.397 -4.225 -9.880 1.00 8.08 H new ATOM 0 HG3 GLU B 24 10.939 -3.478 -10.502 1.00 8.08 H new ATOM 1068 N ASN B 25 13.475 -3.002 -6.823 1.00 6.77 N ATOM 1069 CA ASN B 25 14.219 -3.956 -6.007 1.00 6.71 C ATOM 1070 C ASN B 25 13.552 -4.119 -4.650 1.00 6.02 C ATOM 1071 O ASN B 25 13.574 -5.201 -4.061 1.00 6.03 O ATOM 1072 CB ASN B 25 15.673 -3.506 -5.822 1.00 6.89 C ATOM 1073 CG ASN B 25 16.553 -4.621 -5.281 1.00 7.03 C ATOM 1074 OD1 ASN B 25 16.378 -5.793 -5.623 1.00 7.36 O ATOM 1075 ND2 ASN B 25 17.501 -4.269 -4.426 1.00 6.86 N ATOM 0 H ASN B 25 13.958 -2.118 -6.985 1.00 6.77 H new ATOM 0 HA ASN B 25 14.219 -4.915 -6.525 1.00 6.71 H new ATOM 0 HB2 ASN B 25 16.070 -3.163 -6.777 1.00 6.89 H new ATOM 0 HB3 ASN B 25 15.705 -2.656 -5.140 1.00 6.89 H new ATOM 0 HD21 ASN B 25 18.117 -4.978 -4.027 1.00 6.86 H new ATOM 0 HD22 ASN B 25 17.616 -3.289 -4.167 1.00 6.86 H new ATOM 1082 N VAL B 26 12.960 -3.034 -4.158 1.00 5.50 N ATOM 1083 CA VAL B 26 12.262 -3.052 -2.878 1.00 4.81 C ATOM 1084 C VAL B 26 11.113 -4.055 -2.928 1.00 4.82 C ATOM 1085 O VAL B 26 10.974 -4.902 -2.043 1.00 4.68 O ATOM 1086 CB VAL B 26 11.722 -1.648 -2.504 1.00 4.33 C ATOM 1087 CG1 VAL B 26 10.905 -1.698 -1.218 1.00 3.62 C ATOM 1088 CG2 VAL B 26 12.867 -0.655 -2.366 1.00 4.48 C ATOM 0 H VAL B 26 12.950 -2.129 -4.629 1.00 5.50 H new ATOM 0 HA VAL B 26 12.976 -3.351 -2.111 1.00 4.81 H new ATOM 0 HB VAL B 26 11.066 -1.316 -3.309 1.00 4.33 H new ATOM 0 HG11 VAL B 26 10.539 -0.699 -0.980 1.00 3.62 H new ATOM 0 HG12 VAL B 26 10.059 -2.372 -1.350 1.00 3.62 H new ATOM 0 HG13 VAL B 26 11.532 -2.058 -0.402 1.00 3.62 H new ATOM 0 HG21 VAL B 26 12.469 0.325 -2.103 1.00 4.48 H new ATOM 0 HG22 VAL B 26 13.548 -0.991 -1.584 1.00 4.48 H new ATOM 0 HG23 VAL B 26 13.405 -0.586 -3.311 1.00 4.48 H new ATOM 1098 N LYS B 27 10.316 -3.976 -3.989 1.00 5.10 N ATOM 1099 CA LYS B 27 9.188 -4.883 -4.175 1.00 5.22 C ATOM 1100 C LYS B 27 9.672 -6.326 -4.294 1.00 5.78 C ATOM 1101 O LYS B 27 9.041 -7.252 -3.774 1.00 5.83 O ATOM 1102 CB LYS B 27 8.395 -4.505 -5.428 1.00 5.53 C ATOM 1103 CG LYS B 27 7.618 -3.202 -5.303 1.00 5.06 C ATOM 1104 CD LYS B 27 6.743 -2.956 -6.524 1.00 5.45 C ATOM 1105 CE LYS B 27 6.056 -1.601 -6.458 1.00 5.06 C ATOM 1106 NZ LYS B 27 5.306 -1.298 -7.706 1.00 5.50 N ATOM 0 H LYS B 27 10.431 -3.291 -4.736 1.00 5.10 H new ATOM 0 HA LYS B 27 8.540 -4.796 -3.303 1.00 5.22 H new ATOM 0 HB2 LYS B 27 9.083 -4.426 -6.270 1.00 5.53 H new ATOM 0 HB3 LYS B 27 7.698 -5.310 -5.660 1.00 5.53 H new ATOM 0 HG2 LYS B 27 6.996 -3.232 -4.408 1.00 5.06 H new ATOM 0 HG3 LYS B 27 8.314 -2.372 -5.180 1.00 5.06 H new ATOM 0 HD2 LYS B 27 7.352 -3.012 -7.426 1.00 5.45 H new ATOM 0 HD3 LYS B 27 5.992 -3.742 -6.598 1.00 5.45 H new ATOM 0 HE2 LYS B 27 5.372 -1.582 -5.610 1.00 5.06 H new ATOM 0 HE3 LYS B 27 6.801 -0.824 -6.284 1.00 5.06 H new ATOM 0 HZ1 LYS B 27 4.500 -0.679 -7.485 1.00 5.50 H new ATOM 0 HZ2 LYS B 27 5.935 -0.819 -8.381 1.00 5.50 H new ATOM 0 HZ3 LYS B 27 4.958 -2.184 -8.126 1.00 5.50 H new ATOM 1120 N ALA B 28 10.796 -6.506 -4.980 1.00 6.27 N ATOM 1121 CA ALA B 28 11.381 -7.827 -5.174 1.00 6.84 C ATOM 1122 C ALA B 28 11.752 -8.458 -3.839 1.00 6.63 C ATOM 1123 O ALA B 28 11.514 -9.645 -3.613 1.00 6.99 O ATOM 1124 CB ALA B 28 12.607 -7.737 -6.072 1.00 7.35 C ATOM 0 H ALA B 28 11.323 -5.748 -5.413 1.00 6.27 H new ATOM 0 HA ALA B 28 10.637 -8.460 -5.657 1.00 6.84 H new ATOM 0 HB1 ALA B 28 13.033 -8.731 -6.207 1.00 7.35 H new ATOM 0 HB2 ALA B 28 12.319 -7.331 -7.041 1.00 7.35 H new ATOM 0 HB3 ALA B 28 13.349 -7.085 -5.611 1.00 7.35 H new ATOM 1130 N LYS B 29 12.324 -7.655 -2.950 1.00 6.10 N ATOM 1131 CA LYS B 29 12.727 -8.135 -1.634 1.00 5.90 C ATOM 1132 C LYS B 29 11.509 -8.500 -0.797 1.00 5.68 C ATOM 1133 O LYS B 29 11.513 -9.503 -0.085 1.00 5.96 O ATOM 1134 CB LYS B 29 13.566 -7.082 -0.913 1.00 5.38 C ATOM 1135 CG LYS B 29 14.948 -6.893 -1.512 1.00 5.69 C ATOM 1136 CD LYS B 29 15.725 -5.816 -0.774 1.00 5.31 C ATOM 1137 CE LYS B 29 17.186 -5.788 -1.197 1.00 5.69 C ATOM 1138 NZ LYS B 29 17.874 -7.074 -0.913 1.00 5.63 N ATOM 0 H LYS B 29 12.519 -6.668 -3.117 1.00 6.10 H new ATOM 0 HA LYS B 29 13.333 -9.031 -1.771 1.00 5.90 H new ATOM 0 HB2 LYS B 29 13.036 -6.130 -0.935 1.00 5.38 H new ATOM 0 HB3 LYS B 29 13.669 -7.366 0.134 1.00 5.38 H new ATOM 0 HG2 LYS B 29 15.497 -7.834 -1.470 1.00 5.69 H new ATOM 0 HG3 LYS B 29 14.857 -6.623 -2.564 1.00 5.69 H new ATOM 0 HD2 LYS B 29 15.272 -4.844 -0.966 1.00 5.31 H new ATOM 0 HD3 LYS B 29 15.660 -5.991 0.300 1.00 5.31 H new ATOM 0 HE2 LYS B 29 17.250 -5.570 -2.263 1.00 5.69 H new ATOM 0 HE3 LYS B 29 17.699 -4.980 -0.675 1.00 5.69 H new ATOM 0 HZ1 LYS B 29 18.902 -6.920 -0.891 1.00 5.63 H new ATOM 0 HZ2 LYS B 29 17.559 -7.441 0.008 1.00 5.63 H new ATOM 0 HZ3 LYS B 29 17.643 -7.763 -1.657 1.00 5.63 H new ATOM 1152 N ILE B 30 10.463 -7.685 -0.889 1.00 5.27 N ATOM 1153 CA ILE B 30 9.233 -7.942 -0.151 1.00 5.11 C ATOM 1154 C ILE B 30 8.611 -9.254 -0.621 1.00 5.80 C ATOM 1155 O ILE B 30 8.111 -10.047 0.177 1.00 6.03 O ATOM 1156 CB ILE B 30 8.219 -6.790 -0.323 1.00 4.53 C ATOM 1157 CG1 ILE B 30 8.778 -5.497 0.283 1.00 3.87 C ATOM 1158 CG2 ILE B 30 6.884 -7.149 0.318 1.00 4.48 C ATOM 1159 CD1 ILE B 30 7.941 -4.269 -0.012 1.00 3.34 C ATOM 0 H ILE B 30 10.443 -6.844 -1.466 1.00 5.27 H new ATOM 0 HA ILE B 30 9.485 -8.014 0.907 1.00 5.11 H new ATOM 0 HB ILE B 30 8.052 -6.631 -1.388 1.00 4.53 H new ATOM 0 HG12 ILE B 30 8.859 -5.619 1.363 1.00 3.87 H new ATOM 0 HG13 ILE B 30 9.787 -5.336 -0.096 1.00 3.87 H new ATOM 0 HG21 ILE B 30 6.184 -6.324 0.186 1.00 4.48 H new ATOM 0 HG22 ILE B 30 6.483 -8.045 -0.155 1.00 4.48 H new ATOM 0 HG23 ILE B 30 7.030 -7.334 1.382 1.00 4.48 H new ATOM 0 HD11 ILE B 30 8.401 -3.395 0.450 1.00 3.34 H new ATOM 0 HD12 ILE B 30 7.881 -4.120 -1.090 1.00 3.34 H new ATOM 0 HD13 ILE B 30 6.938 -4.407 0.392 1.00 3.34 H new ATOM 1171 N GLN B 31 8.680 -9.491 -1.923 1.00 6.20 N ATOM 1172 CA GLN B 31 8.138 -10.704 -2.512 1.00 6.89 C ATOM 1173 C GLN B 31 8.951 -11.918 -2.077 1.00 7.42 C ATOM 1174 O GLN B 31 8.414 -13.009 -1.896 1.00 7.92 O ATOM 1175 CB GLN B 31 8.145 -10.597 -4.035 1.00 7.24 C ATOM 1176 CG GLN B 31 7.541 -11.802 -4.734 1.00 7.96 C ATOM 1177 CD GLN B 31 7.889 -11.856 -6.206 1.00 8.43 C ATOM 1178 OE1 GLN B 31 8.945 -11.387 -6.624 1.00 8.42 O ATOM 1179 NE2 GLN B 31 7.003 -12.425 -7.002 1.00 8.89 N ATOM 0 H GLN B 31 9.109 -8.854 -2.594 1.00 6.20 H new ATOM 0 HA GLN B 31 7.112 -10.826 -2.166 1.00 6.89 H new ATOM 0 HB2 GLN B 31 7.595 -9.703 -4.330 1.00 7.24 H new ATOM 0 HB3 GLN B 31 9.172 -10.467 -4.377 1.00 7.24 H new ATOM 0 HG2 GLN B 31 7.891 -12.713 -4.248 1.00 7.96 H new ATOM 0 HG3 GLN B 31 6.457 -11.777 -4.621 1.00 7.96 H new ATOM 0 HE21 GLN B 31 6.138 -12.802 -6.615 1.00 8.89 H new ATOM 0 HE22 GLN B 31 7.183 -12.487 -8.004 1.00 8.89 H new ATOM 1188 N ASP B 32 10.247 -11.716 -1.904 1.00 7.32 N ATOM 1189 CA ASP B 32 11.151 -12.789 -1.500 1.00 7.80 C ATOM 1190 C ASP B 32 10.879 -13.265 -0.072 1.00 7.78 C ATOM 1191 O ASP B 32 11.030 -14.449 0.234 1.00 8.36 O ATOM 1192 CB ASP B 32 12.607 -12.323 -1.633 1.00 7.68 C ATOM 1193 CG ASP B 32 13.611 -13.353 -1.149 1.00 8.20 C ATOM 1194 OD1 ASP B 32 13.825 -14.365 -1.856 1.00 8.79 O ATOM 1195 OD2 ASP B 32 14.217 -13.140 -0.078 1.00 8.05 O ATOM 0 H ASP B 32 10.702 -10.813 -2.037 1.00 7.32 H new ATOM 0 HA ASP B 32 10.974 -13.636 -2.164 1.00 7.80 H new ATOM 0 HB2 ASP B 32 12.812 -12.088 -2.677 1.00 7.68 H new ATOM 0 HB3 ASP B 32 12.740 -11.401 -1.066 1.00 7.68 H new ATOM 1200 N LYS B 33 10.459 -12.353 0.798 1.00 7.19 N ATOM 1201 CA LYS B 33 10.203 -12.715 2.189 1.00 7.24 C ATOM 1202 C LYS B 33 8.719 -12.942 2.492 1.00 7.31 C ATOM 1203 O LYS B 33 8.369 -13.899 3.181 1.00 7.78 O ATOM 1204 CB LYS B 33 10.778 -11.659 3.143 1.00 6.67 C ATOM 1205 CG LYS B 33 10.299 -10.238 2.879 1.00 5.91 C ATOM 1206 CD LYS B 33 10.252 -9.420 4.165 1.00 5.41 C ATOM 1207 CE LYS B 33 11.599 -9.409 4.875 1.00 5.44 C ATOM 1208 NZ LYS B 33 11.495 -8.895 6.267 1.00 5.21 N ATOM 0 H LYS B 33 10.290 -11.373 0.571 1.00 7.19 H new ATOM 0 HA LYS B 33 10.709 -13.667 2.350 1.00 7.24 H new ATOM 0 HB2 LYS B 33 10.518 -11.932 4.166 1.00 6.67 H new ATOM 0 HB3 LYS B 33 11.866 -11.680 3.075 1.00 6.67 H new ATOM 0 HG2 LYS B 33 10.964 -9.755 2.163 1.00 5.91 H new ATOM 0 HG3 LYS B 33 9.308 -10.265 2.426 1.00 5.91 H new ATOM 0 HD2 LYS B 33 9.954 -8.397 3.935 1.00 5.41 H new ATOM 0 HD3 LYS B 33 9.493 -9.832 4.831 1.00 5.41 H new ATOM 0 HE2 LYS B 33 12.007 -10.419 4.892 1.00 5.44 H new ATOM 0 HE3 LYS B 33 12.299 -8.792 4.313 1.00 5.44 H new ATOM 0 HZ1 LYS B 33 12.421 -8.968 6.734 1.00 5.21 H new ATOM 0 HZ2 LYS B 33 11.195 -7.899 6.248 1.00 5.21 H new ATOM 0 HZ3 LYS B 33 10.796 -9.457 6.793 1.00 5.21 H new ATOM 1222 N GLU B 34 7.848 -12.082 1.986 1.00 6.89 N ATOM 1223 CA GLU B 34 6.418 -12.210 2.263 1.00 6.93 C ATOM 1224 C GLU B 34 5.704 -13.073 1.230 1.00 7.47 C ATOM 1225 O GLU B 34 4.680 -13.685 1.529 1.00 7.85 O ATOM 1226 CB GLU B 34 5.765 -10.831 2.323 1.00 6.19 C ATOM 1227 CG GLU B 34 6.225 -9.992 3.500 1.00 5.76 C ATOM 1228 CD GLU B 34 6.025 -10.692 4.826 1.00 6.20 C ATOM 1229 OE1 GLU B 34 4.861 -10.896 5.224 1.00 6.35 O ATOM 1230 OE2 GLU B 34 7.026 -11.042 5.479 1.00 6.48 O ATOM 0 H GLU B 34 8.098 -11.295 1.387 1.00 6.89 H new ATOM 0 HA GLU B 34 6.323 -12.705 3.229 1.00 6.93 H new ATOM 0 HB2 GLU B 34 5.982 -10.295 1.399 1.00 6.19 H new ATOM 0 HB3 GLU B 34 4.683 -10.952 2.375 1.00 6.19 H new ATOM 0 HG2 GLU B 34 7.280 -9.748 3.377 1.00 5.76 H new ATOM 0 HG3 GLU B 34 5.679 -9.049 3.505 1.00 5.76 H new ATOM 1237 N GLY B 35 6.242 -13.126 0.023 1.00 7.55 N ATOM 1238 CA GLY B 35 5.621 -13.913 -1.025 1.00 8.09 C ATOM 1239 C GLY B 35 4.464 -13.184 -1.683 1.00 7.80 C ATOM 1240 O GLY B 35 3.480 -13.801 -2.089 1.00 8.21 O ATOM 0 H GLY B 35 7.096 -12.640 -0.252 1.00 7.55 H new ATOM 0 HA2 GLY B 35 6.367 -14.162 -1.780 1.00 8.09 H new ATOM 0 HA3 GLY B 35 5.264 -14.854 -0.607 1.00 8.09 H new ATOM 1244 N ILE B 36 4.585 -11.867 -1.776 1.00 7.10 N ATOM 1245 CA ILE B 36 3.556 -11.037 -2.390 1.00 6.77 C ATOM 1246 C ILE B 36 4.032 -10.535 -3.750 1.00 6.83 C ATOM 1247 O ILE B 36 5.034 -9.832 -3.828 1.00 6.60 O ATOM 1248 CB ILE B 36 3.210 -9.819 -1.504 1.00 5.99 C ATOM 1249 CG1 ILE B 36 2.832 -10.267 -0.090 1.00 6.04 C ATOM 1250 CG2 ILE B 36 2.075 -9.009 -2.121 1.00 5.67 C ATOM 1251 CD1 ILE B 36 2.783 -9.133 0.910 1.00 5.35 C ATOM 0 H ILE B 36 5.392 -11.347 -1.431 1.00 7.10 H new ATOM 0 HA ILE B 36 2.664 -11.652 -2.506 1.00 6.77 H new ATOM 0 HB ILE B 36 4.095 -9.185 -1.442 1.00 5.99 H new ATOM 0 HG12 ILE B 36 1.858 -10.756 -0.121 1.00 6.04 H new ATOM 0 HG13 ILE B 36 3.552 -11.011 0.251 1.00 6.04 H new ATOM 0 HG21 ILE B 36 1.847 -8.156 -1.481 1.00 5.67 H new ATOM 0 HG22 ILE B 36 2.376 -8.653 -3.107 1.00 5.67 H new ATOM 0 HG23 ILE B 36 1.190 -9.638 -2.217 1.00 5.67 H new ATOM 0 HD11 ILE B 36 2.509 -9.524 1.890 1.00 5.35 H new ATOM 0 HD12 ILE B 36 3.762 -8.658 0.970 1.00 5.35 H new ATOM 0 HD13 ILE B 36 2.042 -8.399 0.592 1.00 5.35 H new ATOM 1263 N PRO B 37 3.336 -10.907 -4.835 1.00 7.22 N ATOM 1264 CA PRO B 37 3.697 -10.479 -6.192 1.00 7.44 C ATOM 1265 C PRO B 37 3.772 -8.956 -6.312 1.00 6.84 C ATOM 1266 O PRO B 37 2.873 -8.252 -5.851 1.00 6.32 O ATOM 1267 CB PRO B 37 2.560 -11.030 -7.061 1.00 7.86 C ATOM 1268 CG PRO B 37 1.993 -12.161 -6.276 1.00 8.10 C ATOM 1269 CD PRO B 37 2.151 -11.782 -4.829 1.00 7.57 C ATOM 0 HA PRO B 37 4.682 -10.841 -6.485 1.00 7.44 H new ATOM 0 HB2 PRO B 37 1.806 -10.267 -7.256 1.00 7.86 H new ATOM 0 HB3 PRO B 37 2.930 -11.367 -8.029 1.00 7.86 H new ATOM 0 HG2 PRO B 37 0.944 -12.321 -6.525 1.00 8.10 H new ATOM 0 HG3 PRO B 37 2.518 -13.090 -6.495 1.00 8.10 H new ATOM 0 HD2 PRO B 37 1.270 -11.263 -4.451 1.00 7.57 H new ATOM 0 HD3 PRO B 37 2.301 -12.658 -4.198 1.00 7.57 H new ATOM 1277 N PRO B 38 4.856 -8.429 -6.920 1.00 6.95 N ATOM 1278 CA PRO B 38 5.051 -6.980 -7.105 1.00 6.54 C ATOM 1279 C PRO B 38 3.850 -6.297 -7.757 1.00 6.45 C ATOM 1280 O PRO B 38 3.558 -5.134 -7.476 1.00 5.97 O ATOM 1281 CB PRO B 38 6.270 -6.899 -8.022 1.00 7.04 C ATOM 1282 CG PRO B 38 7.027 -8.150 -7.751 1.00 7.43 C ATOM 1283 CD PRO B 38 5.993 -9.203 -7.457 1.00 7.57 C ATOM 0 HA PRO B 38 5.178 -6.469 -6.151 1.00 6.54 H new ATOM 0 HB2 PRO B 38 5.975 -6.833 -9.069 1.00 7.04 H new ATOM 0 HB3 PRO B 38 6.872 -6.017 -7.805 1.00 7.04 H new ATOM 0 HG2 PRO B 38 7.637 -8.431 -8.609 1.00 7.43 H new ATOM 0 HG3 PRO B 38 7.704 -8.021 -6.907 1.00 7.43 H new ATOM 0 HD2 PRO B 38 5.715 -9.754 -8.355 1.00 7.57 H new ATOM 0 HD3 PRO B 38 6.358 -9.933 -6.735 1.00 7.57 H new ATOM 1291 N ASP B 39 3.159 -7.029 -8.624 1.00 6.95 N ATOM 1292 CA ASP B 39 1.978 -6.513 -9.317 1.00 6.96 C ATOM 1293 C ASP B 39 0.876 -6.157 -8.317 1.00 6.32 C ATOM 1294 O ASP B 39 0.093 -5.234 -8.536 1.00 6.07 O ATOM 1295 CB ASP B 39 1.471 -7.553 -10.324 1.00 7.65 C ATOM 1296 CG ASP B 39 0.020 -7.350 -10.718 1.00 7.66 C ATOM 1297 OD1 ASP B 39 -0.293 -6.330 -11.368 1.00 7.61 O ATOM 1298 OD2 ASP B 39 -0.811 -8.219 -10.386 1.00 7.79 O ATOM 0 H ASP B 39 3.397 -7.991 -8.867 1.00 6.95 H new ATOM 0 HA ASP B 39 2.255 -5.605 -9.853 1.00 6.96 H new ATOM 0 HB2 ASP B 39 2.092 -7.515 -11.219 1.00 7.65 H new ATOM 0 HB3 ASP B 39 1.588 -8.549 -9.897 1.00 7.65 H new ATOM 1303 N GLN B 40 0.843 -6.879 -7.206 1.00 6.12 N ATOM 1304 CA GLN B 40 -0.157 -6.647 -6.174 1.00 5.59 C ATOM 1305 C GLN B 40 0.386 -5.723 -5.089 1.00 4.88 C ATOM 1306 O GLN B 40 -0.326 -5.371 -4.151 1.00 4.41 O ATOM 1307 CB GLN B 40 -0.598 -7.977 -5.554 1.00 5.92 C ATOM 1308 CG GLN B 40 -1.294 -8.906 -6.535 1.00 6.60 C ATOM 1309 CD GLN B 40 -1.300 -10.351 -6.073 1.00 7.04 C ATOM 1310 OE1 GLN B 40 -1.286 -11.274 -6.887 1.00 7.67 O ATOM 1311 NE2 GLN B 40 -1.325 -10.562 -4.768 1.00 6.80 N ATOM 0 H GLN B 40 1.499 -7.632 -6.996 1.00 6.12 H new ATOM 0 HA GLN B 40 -1.018 -6.166 -6.638 1.00 5.59 H new ATOM 0 HB2 GLN B 40 0.275 -8.484 -5.144 1.00 5.92 H new ATOM 0 HB3 GLN B 40 -1.270 -7.774 -4.720 1.00 5.92 H new ATOM 0 HG2 GLN B 40 -2.321 -8.571 -6.679 1.00 6.60 H new ATOM 0 HG3 GLN B 40 -0.799 -8.841 -7.504 1.00 6.60 H new ATOM 0 HE21 GLN B 40 -1.336 -9.771 -4.124 1.00 6.80 H new ATOM 0 HE22 GLN B 40 -1.333 -11.515 -4.406 1.00 6.80 H new ATOM 1320 N GLN B 41 1.646 -5.329 -5.226 1.00 4.86 N ATOM 1321 CA GLN B 41 2.285 -4.452 -4.254 1.00 4.24 C ATOM 1322 C GLN B 41 2.109 -2.986 -4.627 1.00 3.92 C ATOM 1323 O GLN B 41 2.972 -2.396 -5.280 1.00 4.35 O ATOM 1324 CB GLN B 41 3.779 -4.750 -4.149 1.00 4.48 C ATOM 1325 CG GLN B 41 4.118 -6.095 -3.530 1.00 4.79 C ATOM 1326 CD GLN B 41 5.598 -6.216 -3.232 1.00 4.88 C ATOM 1327 OE1 GLN B 41 6.254 -5.229 -2.908 1.00 4.46 O ATOM 1328 NE2 GLN B 41 6.137 -7.416 -3.339 1.00 5.46 N ATOM 0 H GLN B 41 2.247 -5.604 -6.003 1.00 4.86 H new ATOM 0 HA GLN B 41 1.803 -4.640 -3.295 1.00 4.24 H new ATOM 0 HB2 GLN B 41 4.215 -4.705 -5.147 1.00 4.48 H new ATOM 0 HB3 GLN B 41 4.251 -3.965 -3.559 1.00 4.48 H new ATOM 0 HG2 GLN B 41 3.549 -6.226 -2.609 1.00 4.79 H new ATOM 0 HG3 GLN B 41 3.816 -6.894 -4.207 1.00 4.79 H new ATOM 0 HE21 GLN B 41 5.560 -8.212 -3.611 1.00 5.46 H new ATOM 0 HE22 GLN B 41 7.131 -7.547 -3.150 1.00 5.46 H new ATOM 1337 N ARG B 42 0.996 -2.395 -4.223 1.00 3.29 N ATOM 1338 CA ARG B 42 0.754 -0.993 -4.510 1.00 3.09 C ATOM 1339 C ARG B 42 1.297 -0.151 -3.361 1.00 2.49 C ATOM 1340 O ARG B 42 0.545 0.317 -2.503 1.00 1.91 O ATOM 1341 CB ARG B 42 -0.736 -0.720 -4.718 1.00 2.97 C ATOM 1342 CG ARG B 42 -1.016 0.528 -5.543 1.00 3.22 C ATOM 1343 CD ARG B 42 -2.410 1.075 -5.280 1.00 3.19 C ATOM 1344 NE ARG B 42 -2.506 1.709 -3.966 1.00 3.24 N ATOM 1345 CZ ARG B 42 -3.637 1.824 -3.274 1.00 3.20 C ATOM 1346 NH1 ARG B 42 -4.786 1.396 -3.781 1.00 3.17 N ATOM 1347 NH2 ARG B 42 -3.624 2.394 -2.076 1.00 3.59 N ATOM 0 H ARG B 42 0.253 -2.860 -3.701 1.00 3.29 H new ATOM 0 HA ARG B 42 1.266 -0.726 -5.435 1.00 3.09 H new ATOM 0 HB2 ARG B 42 -1.189 -1.580 -5.210 1.00 2.97 H new ATOM 0 HB3 ARG B 42 -1.218 -0.619 -3.746 1.00 2.97 H new ATOM 0 HG2 ARG B 42 -0.275 1.293 -5.309 1.00 3.22 H new ATOM 0 HG3 ARG B 42 -0.910 0.295 -6.603 1.00 3.22 H new ATOM 0 HD2 ARG B 42 -2.668 1.799 -6.053 1.00 3.19 H new ATOM 0 HD3 ARG B 42 -3.137 0.265 -5.347 1.00 3.19 H new ATOM 0 HE ARG B 42 -1.653 2.087 -3.554 1.00 3.24 H new ATOM 0 HH11 ARG B 42 -4.808 0.974 -4.709 1.00 3.17 H new ATOM 0 HH12 ARG B 42 -5.647 1.489 -3.242 1.00 3.17 H new ATOM 0 HH21 ARG B 42 -2.748 2.743 -1.687 1.00 3.59 H new ATOM 0 HH22 ARG B 42 -4.490 2.483 -1.544 1.00 3.59 H new ATOM 1361 N LEU B 43 2.616 -0.003 -3.337 1.00 2.72 N ATOM 1362 CA LEU B 43 3.299 0.762 -2.300 1.00 2.34 C ATOM 1363 C LEU B 43 2.980 2.248 -2.403 1.00 2.51 C ATOM 1364 O LEU B 43 3.214 2.874 -3.439 1.00 3.16 O ATOM 1365 CB LEU B 43 4.811 0.555 -2.402 1.00 2.69 C ATOM 1366 CG LEU B 43 5.350 -0.715 -1.745 1.00 2.62 C ATOM 1367 CD1 LEU B 43 6.743 -1.033 -2.269 1.00 3.19 C ATOM 1368 CD2 LEU B 43 5.371 -0.567 -0.232 1.00 2.03 C ATOM 0 H LEU B 43 3.241 -0.408 -4.034 1.00 2.72 H new ATOM 0 HA LEU B 43 2.944 0.402 -1.335 1.00 2.34 H new ATOM 0 HB2 LEU B 43 5.088 0.542 -3.456 1.00 2.69 H new ATOM 0 HB3 LEU B 43 5.308 1.414 -1.952 1.00 2.69 H new ATOM 0 HG LEU B 43 4.687 -1.542 -1.999 1.00 2.62 H new ATOM 0 HD11 LEU B 43 7.113 -1.940 -1.791 1.00 3.19 H new ATOM 0 HD12 LEU B 43 6.701 -1.182 -3.348 1.00 3.19 H new ATOM 0 HD13 LEU B 43 7.414 -0.205 -2.043 1.00 3.19 H new ATOM 0 HD21 LEU B 43 5.758 -1.481 0.218 1.00 2.03 H new ATOM 0 HD22 LEU B 43 6.011 0.271 0.043 1.00 2.03 H new ATOM 0 HD23 LEU B 43 4.359 -0.385 0.130 1.00 2.03 H new ATOM 1380 N ILE B 44 2.439 2.803 -1.328 1.00 2.10 N ATOM 1381 CA ILE B 44 2.091 4.214 -1.289 1.00 2.55 C ATOM 1382 C ILE B 44 2.737 4.899 -0.091 1.00 2.73 C ATOM 1383 O ILE B 44 2.605 4.440 1.045 1.00 2.37 O ATOM 1384 CB ILE B 44 0.563 4.429 -1.198 1.00 2.35 C ATOM 1385 CG1 ILE B 44 -0.179 3.600 -2.254 1.00 2.20 C ATOM 1386 CG2 ILE B 44 0.230 5.907 -1.344 1.00 3.04 C ATOM 1387 CD1 ILE B 44 0.056 4.059 -3.677 1.00 2.92 C ATOM 0 H ILE B 44 2.231 2.294 -0.469 1.00 2.10 H new ATOM 0 HA ILE B 44 2.460 4.648 -2.218 1.00 2.55 H new ATOM 0 HB ILE B 44 0.230 4.090 -0.217 1.00 2.35 H new ATOM 0 HG12 ILE B 44 0.128 2.558 -2.164 1.00 2.20 H new ATOM 0 HG13 ILE B 44 -1.248 3.636 -2.044 1.00 2.20 H new ATOM 0 HG21 ILE B 44 -0.849 6.045 -1.278 1.00 3.04 H new ATOM 0 HG22 ILE B 44 0.717 6.470 -0.548 1.00 3.04 H new ATOM 0 HG23 ILE B 44 0.583 6.266 -2.311 1.00 3.04 H new ATOM 0 HD11 ILE B 44 -0.503 3.422 -4.362 1.00 2.92 H new ATOM 0 HD12 ILE B 44 -0.278 5.091 -3.786 1.00 2.92 H new ATOM 0 HD13 ILE B 44 1.119 3.996 -3.909 1.00 2.92 H new ATOM 1399 N PHE B 45 3.445 5.988 -0.343 1.00 3.41 N ATOM 1400 CA PHE B 45 4.069 6.743 0.729 1.00 3.75 C ATOM 1401 C PHE B 45 3.254 8.000 0.982 1.00 4.37 C ATOM 1402 O PHE B 45 3.335 8.963 0.213 1.00 4.85 O ATOM 1403 CB PHE B 45 5.519 7.101 0.393 1.00 3.98 C ATOM 1404 CG PHE B 45 6.216 7.872 1.483 1.00 4.33 C ATOM 1405 CD1 PHE B 45 6.300 7.358 2.767 1.00 4.10 C ATOM 1406 CD2 PHE B 45 6.787 9.107 1.222 1.00 5.00 C ATOM 1407 CE1 PHE B 45 6.940 8.059 3.770 1.00 4.54 C ATOM 1408 CE2 PHE B 45 7.428 9.814 2.223 1.00 5.37 C ATOM 1409 CZ PHE B 45 7.505 9.290 3.498 1.00 5.14 C ATOM 0 H PHE B 45 3.601 6.367 -1.277 1.00 3.41 H new ATOM 0 HA PHE B 45 4.091 6.128 1.628 1.00 3.75 H new ATOM 0 HB2 PHE B 45 6.075 6.184 0.195 1.00 3.98 H new ATOM 0 HB3 PHE B 45 5.536 7.689 -0.525 1.00 3.98 H new ATOM 0 HD1 PHE B 45 5.859 6.397 2.986 1.00 4.10 H new ATOM 0 HD2 PHE B 45 6.731 9.522 0.226 1.00 5.00 H new ATOM 0 HE1 PHE B 45 6.999 7.645 4.766 1.00 4.54 H new ATOM 0 HE2 PHE B 45 7.868 10.776 2.007 1.00 5.37 H new ATOM 0 HZ PHE B 45 8.006 9.841 4.281 1.00 5.14 H new ATOM 1419 N ALA B 46 2.443 7.956 2.041 1.00 4.47 N ATOM 1420 CA ALA B 46 1.569 9.063 2.441 1.00 5.11 C ATOM 1421 C ALA B 46 0.430 9.261 1.440 1.00 5.25 C ATOM 1422 O ALA B 46 -0.741 9.038 1.761 1.00 5.80 O ATOM 1423 CB ALA B 46 2.366 10.351 2.635 1.00 5.68 C ATOM 0 H ALA B 46 2.373 7.142 2.652 1.00 4.47 H new ATOM 0 HA ALA B 46 1.122 8.802 3.400 1.00 5.11 H new ATOM 0 HB1 ALA B 46 1.692 11.155 2.931 1.00 5.68 H new ATOM 0 HB2 ALA B 46 3.116 10.201 3.412 1.00 5.68 H new ATOM 0 HB3 ALA B 46 2.860 10.618 1.701 1.00 5.68 H new ATOM 1429 N GLY B 47 0.779 9.682 0.237 1.00 4.86 N ATOM 1430 CA GLY B 47 -0.206 9.896 -0.799 1.00 5.04 C ATOM 1431 C GLY B 47 0.409 9.825 -2.178 1.00 5.20 C ATOM 1432 O GLY B 47 -0.197 10.248 -3.162 1.00 5.50 O ATOM 0 H GLY B 47 1.739 9.882 -0.043 1.00 4.86 H new ATOM 0 HA2 GLY B 47 -0.994 9.147 -0.713 1.00 5.04 H new ATOM 0 HA3 GLY B 47 -0.675 10.870 -0.659 1.00 5.04 H new ATOM 1436 N LYS B 48 1.618 9.289 -2.253 1.00 5.13 N ATOM 1437 CA LYS B 48 2.324 9.168 -3.518 1.00 5.44 C ATOM 1438 C LYS B 48 2.622 7.707 -3.827 1.00 4.89 C ATOM 1439 O LYS B 48 3.175 6.990 -2.989 1.00 4.41 O ATOM 1440 CB LYS B 48 3.629 9.963 -3.473 1.00 6.05 C ATOM 1441 CG LYS B 48 3.428 11.463 -3.349 1.00 6.75 C ATOM 1442 CD LYS B 48 4.725 12.169 -2.990 1.00 7.32 C ATOM 1443 CE LYS B 48 4.565 13.680 -3.021 1.00 7.40 C ATOM 1444 NZ LYS B 48 4.392 14.192 -4.405 1.00 7.95 N ATOM 0 H LYS B 48 2.132 8.930 -1.448 1.00 5.13 H new ATOM 0 HA LYS B 48 1.687 9.571 -4.305 1.00 5.44 H new ATOM 0 HB2 LYS B 48 4.227 9.615 -2.631 1.00 6.05 H new ATOM 0 HB3 LYS B 48 4.201 9.756 -4.377 1.00 6.05 H new ATOM 0 HG2 LYS B 48 3.045 11.859 -4.289 1.00 6.75 H new ATOM 0 HG3 LYS B 48 2.677 11.669 -2.587 1.00 6.75 H new ATOM 0 HD2 LYS B 48 5.047 11.857 -1.997 1.00 7.32 H new ATOM 0 HD3 LYS B 48 5.508 11.871 -3.688 1.00 7.32 H new ATOM 0 HE2 LYS B 48 3.703 13.966 -2.418 1.00 7.40 H new ATOM 0 HE3 LYS B 48 5.440 14.147 -2.568 1.00 7.40 H new ATOM 0 HZ1 LYS B 48 4.507 15.226 -4.410 1.00 7.95 H new ATOM 0 HZ2 LYS B 48 5.106 13.762 -5.026 1.00 7.95 H new ATOM 0 HZ3 LYS B 48 3.442 13.948 -4.749 1.00 7.95 H new ATOM 1458 N GLN B 49 2.240 7.267 -5.019 1.00 5.05 N ATOM 1459 CA GLN B 49 2.481 5.896 -5.438 1.00 4.73 C ATOM 1460 C GLN B 49 3.959 5.703 -5.755 1.00 5.12 C ATOM 1461 O GLN B 49 4.537 6.461 -6.531 1.00 5.81 O ATOM 1462 CB GLN B 49 1.633 5.549 -6.664 1.00 4.93 C ATOM 1463 CG GLN B 49 1.748 4.093 -7.079 1.00 4.85 C ATOM 1464 CD GLN B 49 1.368 3.857 -8.529 1.00 5.12 C ATOM 1465 OE1 GLN B 49 1.950 3.006 -9.198 1.00 5.27 O ATOM 1466 NE2 GLN B 49 0.397 4.607 -9.030 1.00 5.36 N ATOM 0 H GLN B 49 1.761 7.842 -5.712 1.00 5.05 H new ATOM 0 HA GLN B 49 2.198 5.229 -4.623 1.00 4.73 H new ATOM 0 HB2 GLN B 49 0.589 5.778 -6.452 1.00 4.93 H new ATOM 0 HB3 GLN B 49 1.935 6.183 -7.498 1.00 4.93 H new ATOM 0 HG2 GLN B 49 2.772 3.755 -6.918 1.00 4.85 H new ATOM 0 HG3 GLN B 49 1.108 3.487 -6.438 1.00 4.85 H new ATOM 0 HE21 GLN B 49 -0.063 5.304 -8.444 1.00 5.36 H new ATOM 0 HE22 GLN B 49 0.110 4.488 -10.001 1.00 5.36 H new ATOM 1475 N LEU B 50 4.567 4.692 -5.152 1.00 4.71 N ATOM 1476 CA LEU B 50 5.980 4.419 -5.369 1.00 5.07 C ATOM 1477 C LEU B 50 6.193 3.719 -6.705 1.00 5.51 C ATOM 1478 O LEU B 50 5.869 2.540 -6.862 1.00 5.29 O ATOM 1479 CB LEU B 50 6.550 3.568 -4.228 1.00 4.53 C ATOM 1480 CG LEU B 50 6.302 4.111 -2.815 1.00 4.10 C ATOM 1481 CD1 LEU B 50 7.150 3.359 -1.802 1.00 3.66 C ATOM 1482 CD2 LEU B 50 6.597 5.603 -2.743 1.00 4.69 C ATOM 0 H LEU B 50 4.105 4.048 -4.510 1.00 4.71 H new ATOM 0 HA LEU B 50 6.509 5.372 -5.388 1.00 5.07 H new ATOM 0 HB2 LEU B 50 6.122 2.568 -4.295 1.00 4.53 H new ATOM 0 HB3 LEU B 50 7.625 3.465 -4.376 1.00 4.53 H new ATOM 0 HG LEU B 50 5.249 3.960 -2.576 1.00 4.10 H new ATOM 0 HD11 LEU B 50 6.963 3.756 -0.804 1.00 3.66 H new ATOM 0 HD12 LEU B 50 6.892 2.300 -1.826 1.00 3.66 H new ATOM 0 HD13 LEU B 50 8.205 3.481 -2.049 1.00 3.66 H new ATOM 0 HD21 LEU B 50 6.413 5.962 -1.730 1.00 4.69 H new ATOM 0 HD22 LEU B 50 7.639 5.781 -3.007 1.00 4.69 H new ATOM 0 HD23 LEU B 50 5.950 6.136 -3.440 1.00 4.69 H new ATOM 1494 N GLU B 51 6.719 4.460 -7.673 1.00 6.21 N ATOM 1495 CA GLU B 51 6.985 3.914 -8.994 1.00 6.75 C ATOM 1496 C GLU B 51 8.263 3.082 -8.960 1.00 6.81 C ATOM 1497 O GLU B 51 9.276 3.514 -8.410 1.00 6.81 O ATOM 1498 CB GLU B 51 7.097 5.043 -10.023 1.00 7.48 C ATOM 1499 CG GLU B 51 7.335 4.560 -11.445 1.00 8.08 C ATOM 1500 CD GLU B 51 7.396 5.697 -12.442 1.00 8.74 C ATOM 1501 OE1 GLU B 51 8.323 6.528 -12.348 1.00 9.08 O ATOM 1502 OE2 GLU B 51 6.519 5.766 -13.328 1.00 9.03 O ATOM 0 H GLU B 51 6.970 5.443 -7.565 1.00 6.21 H new ATOM 0 HA GLU B 51 6.157 3.269 -9.289 1.00 6.75 H new ATOM 0 HB2 GLU B 51 6.182 5.635 -9.999 1.00 7.48 H new ATOM 0 HB3 GLU B 51 7.913 5.705 -9.734 1.00 7.48 H new ATOM 0 HG2 GLU B 51 8.268 3.998 -11.483 1.00 8.08 H new ATOM 0 HG3 GLU B 51 6.538 3.874 -11.730 1.00 8.08 H new ATOM 1509 N ASP B 52 8.199 1.896 -9.557 1.00 6.95 N ATOM 1510 CA ASP B 52 9.327 0.954 -9.593 1.00 7.11 C ATOM 1511 C ASP B 52 10.616 1.587 -10.116 1.00 7.68 C ATOM 1512 O ASP B 52 11.711 1.226 -9.677 1.00 7.65 O ATOM 1513 CB ASP B 52 8.972 -0.255 -10.466 1.00 7.41 C ATOM 1514 CG ASP B 52 7.897 -1.128 -9.850 1.00 6.92 C ATOM 1515 OD1 ASP B 52 6.699 -0.782 -9.969 1.00 6.71 O ATOM 1516 OD2 ASP B 52 8.239 -2.159 -9.239 1.00 6.84 O ATOM 0 H ASP B 52 7.364 1.554 -10.033 1.00 6.95 H new ATOM 0 HA ASP B 52 9.507 0.645 -8.563 1.00 7.11 H new ATOM 0 HB2 ASP B 52 8.635 0.094 -11.442 1.00 7.41 H new ATOM 0 HB3 ASP B 52 9.868 -0.853 -10.633 1.00 7.41 H new ATOM 1521 N GLY B 53 10.485 2.538 -11.030 1.00 8.21 N ATOM 1522 CA GLY B 53 11.653 3.174 -11.614 1.00 8.81 C ATOM 1523 C GLY B 53 12.268 4.266 -10.756 1.00 8.72 C ATOM 1524 O GLY B 53 13.296 4.832 -11.126 1.00 9.22 O ATOM 0 H GLY B 53 9.591 2.882 -11.379 1.00 8.21 H new ATOM 0 HA2 GLY B 53 12.408 2.412 -11.807 1.00 8.81 H new ATOM 0 HA3 GLY B 53 11.376 3.600 -12.578 1.00 8.81 H new ATOM 1528 N ARG B 54 11.662 4.568 -9.616 1.00 8.14 N ATOM 1529 CA ARG B 54 12.186 5.615 -8.740 1.00 8.09 C ATOM 1530 C ARG B 54 12.851 5.009 -7.513 1.00 7.60 C ATOM 1531 O ARG B 54 12.676 3.825 -7.225 1.00 7.21 O ATOM 1532 CB ARG B 54 11.067 6.567 -8.298 1.00 7.88 C ATOM 1533 CG ARG B 54 10.212 7.089 -9.442 1.00 8.41 C ATOM 1534 CD ARG B 54 11.034 7.854 -10.466 1.00 9.15 C ATOM 1535 NE ARG B 54 10.782 7.372 -11.823 1.00 9.64 N ATOM 1536 CZ ARG B 54 11.687 7.377 -12.802 1.00 10.23 C ATOM 1537 NH1 ARG B 54 12.885 7.914 -12.603 1.00 10.39 N ATOM 1538 NH2 ARG B 54 11.381 6.862 -13.988 1.00 10.70 N ATOM 0 H ARG B 54 10.816 4.111 -9.276 1.00 8.14 H new ATOM 0 HA ARG B 54 12.928 6.178 -9.305 1.00 8.09 H new ATOM 0 HB2 ARG B 54 10.425 6.050 -7.584 1.00 7.88 H new ATOM 0 HB3 ARG B 54 11.510 7.414 -7.773 1.00 7.88 H new ATOM 0 HG2 ARG B 54 9.711 6.253 -9.931 1.00 8.41 H new ATOM 0 HG3 ARG B 54 9.433 7.739 -9.044 1.00 8.41 H new ATOM 0 HD2 ARG B 54 10.796 8.916 -10.406 1.00 9.15 H new ATOM 0 HD3 ARG B 54 12.094 7.752 -10.233 1.00 9.15 H new ATOM 0 HE ARG B 54 9.853 7.008 -12.035 1.00 9.64 H new ATOM 0 HH11 ARG B 54 13.116 8.325 -11.698 1.00 10.39 H new ATOM 0 HH12 ARG B 54 13.574 7.916 -13.355 1.00 10.39 H new ATOM 0 HH21 ARG B 54 10.456 6.464 -14.148 1.00 10.70 H new ATOM 0 HH22 ARG B 54 12.072 6.865 -14.739 1.00 10.70 H new ATOM 1552 N THR B 55 13.628 5.816 -6.803 1.00 7.68 N ATOM 1553 CA THR B 55 14.301 5.354 -5.600 1.00 7.27 C ATOM 1554 C THR B 55 13.587 5.887 -4.366 1.00 6.76 C ATOM 1555 O THR B 55 12.648 6.680 -4.477 1.00 6.83 O ATOM 1556 CB THR B 55 15.778 5.806 -5.558 1.00 7.75 C ATOM 1557 OG1 THR B 55 15.861 7.239 -5.549 1.00 8.25 O ATOM 1558 CG2 THR B 55 16.555 5.260 -6.744 1.00 8.15 C ATOM 0 H THR B 55 13.807 6.792 -7.040 1.00 7.68 H new ATOM 0 HA THR B 55 14.274 4.264 -5.612 1.00 7.27 H new ATOM 0 HB THR B 55 16.219 5.411 -4.643 1.00 7.75 H new ATOM 0 HG1 THR B 55 15.656 7.584 -6.443 1.00 8.25 H new ATOM 0 HG21 THR B 55 17.591 5.595 -6.686 1.00 8.15 H new ATOM 0 HG22 THR B 55 16.525 4.171 -6.728 1.00 8.15 H new ATOM 0 HG23 THR B 55 16.108 5.622 -7.670 1.00 8.15 H new ATOM 1566 N LEU B 56 14.030 5.456 -3.194 1.00 6.30 N ATOM 1567 CA LEU B 56 13.439 5.911 -1.944 1.00 5.87 C ATOM 1568 C LEU B 56 13.704 7.400 -1.749 1.00 6.39 C ATOM 1569 O LEU B 56 12.881 8.127 -1.190 1.00 6.35 O ATOM 1570 CB LEU B 56 14.008 5.109 -0.770 1.00 5.35 C ATOM 1571 CG LEU B 56 13.727 3.607 -0.819 1.00 4.85 C ATOM 1572 CD1 LEU B 56 14.624 2.865 0.155 1.00 4.55 C ATOM 1573 CD2 LEU B 56 12.265 3.327 -0.509 1.00 4.34 C ATOM 0 H LEU B 56 14.796 4.792 -3.082 1.00 6.30 H new ATOM 0 HA LEU B 56 12.361 5.752 -1.984 1.00 5.87 H new ATOM 0 HB2 LEU B 56 15.087 5.261 -0.734 1.00 5.35 H new ATOM 0 HB3 LEU B 56 13.599 5.510 0.157 1.00 5.35 H new ATOM 0 HG LEU B 56 13.941 3.252 -1.827 1.00 4.85 H new ATOM 0 HD11 LEU B 56 14.410 1.797 0.106 1.00 4.55 H new ATOM 0 HD12 LEU B 56 15.668 3.038 -0.107 1.00 4.55 H new ATOM 0 HD13 LEU B 56 14.440 3.226 1.167 1.00 4.55 H new ATOM 0 HD21 LEU B 56 12.084 2.253 -0.549 1.00 4.34 H new ATOM 0 HD22 LEU B 56 12.027 3.699 0.488 1.00 4.34 H new ATOM 0 HD23 LEU B 56 11.635 3.828 -1.244 1.00 4.34 H new ATOM 1585 N SER B 57 14.852 7.852 -2.240 1.00 6.96 N ATOM 1586 CA SER B 57 15.233 9.252 -2.134 1.00 7.54 C ATOM 1587 C SER B 57 14.346 10.121 -3.027 1.00 7.98 C ATOM 1588 O SER B 57 14.053 11.268 -2.699 1.00 8.39 O ATOM 1589 CB SER B 57 16.702 9.425 -2.520 1.00 8.01 C ATOM 1590 OG SER B 57 17.516 8.447 -1.891 1.00 7.91 O ATOM 0 H SER B 57 15.536 7.265 -2.717 1.00 6.96 H new ATOM 0 HA SER B 57 15.098 9.571 -1.101 1.00 7.54 H new ATOM 0 HB2 SER B 57 16.808 9.349 -3.602 1.00 8.01 H new ATOM 0 HB3 SER B 57 17.041 10.421 -2.236 1.00 8.01 H new ATOM 0 HG SER B 57 17.429 7.594 -2.366 1.00 7.91 H new ATOM 1596 N ASP B 58 13.885 9.544 -4.138 1.00 7.94 N ATOM 1597 CA ASP B 58 13.030 10.259 -5.092 1.00 8.36 C ATOM 1598 C ASP B 58 11.703 10.663 -4.458 1.00 8.11 C ATOM 1599 O ASP B 58 11.020 11.564 -4.944 1.00 8.57 O ATOM 1600 CB ASP B 58 12.748 9.393 -6.325 1.00 8.35 C ATOM 1601 CG ASP B 58 13.876 9.402 -7.336 1.00 8.93 C ATOM 1602 OD1 ASP B 58 14.053 10.421 -8.034 1.00 9.53 O ATOM 1603 OD2 ASP B 58 14.581 8.379 -7.453 1.00 8.85 O ATOM 0 H ASP B 58 14.089 8.580 -4.401 1.00 7.94 H new ATOM 0 HA ASP B 58 13.568 11.158 -5.391 1.00 8.36 H new ATOM 0 HB2 ASP B 58 12.564 8.367 -6.005 1.00 8.35 H new ATOM 0 HB3 ASP B 58 11.836 9.745 -6.806 1.00 8.35 H new ATOM 1608 N TYR B 59 11.330 9.989 -3.380 1.00 7.43 N ATOM 1609 CA TYR B 59 10.078 10.284 -2.700 1.00 7.20 C ATOM 1610 C TYR B 59 10.324 10.906 -1.332 1.00 7.19 C ATOM 1611 O TYR B 59 9.397 11.041 -0.530 1.00 6.99 O ATOM 1612 CB TYR B 59 9.246 9.015 -2.552 1.00 6.47 C ATOM 1613 CG TYR B 59 8.623 8.558 -3.846 1.00 6.52 C ATOM 1614 CD1 TYR B 59 7.600 9.290 -4.438 1.00 6.55 C ATOM 1615 CD2 TYR B 59 9.050 7.397 -4.475 1.00 6.66 C ATOM 1616 CE1 TYR B 59 7.023 8.878 -5.621 1.00 6.65 C ATOM 1617 CE2 TYR B 59 8.477 6.977 -5.657 1.00 6.81 C ATOM 1618 CZ TYR B 59 7.462 7.721 -6.226 1.00 6.77 C ATOM 1619 OH TYR B 59 6.882 7.304 -7.402 1.00 6.97 O ATOM 0 H TYR B 59 11.875 9.237 -2.959 1.00 7.43 H new ATOM 0 HA TYR B 59 9.530 11.005 -3.307 1.00 7.20 H new ATOM 0 HB2 TYR B 59 9.878 8.218 -2.159 1.00 6.47 H new ATOM 0 HB3 TYR B 59 8.458 9.188 -1.819 1.00 6.47 H new ATOM 0 HD1 TYR B 59 7.252 10.196 -3.964 1.00 6.55 H new ATOM 0 HD2 TYR B 59 9.843 6.813 -4.032 1.00 6.66 H new ATOM 0 HE1 TYR B 59 6.231 9.459 -6.070 1.00 6.65 H new ATOM 0 HE2 TYR B 59 8.820 6.071 -6.135 1.00 6.81 H new ATOM 0 HH TYR B 59 5.919 7.185 -7.267 1.00 6.97 H new ATOM 1629 N ASN B 60 11.576 11.280 -1.073 1.00 7.47 N ATOM 1630 CA ASN B 60 11.965 11.894 0.197 1.00 7.55 C ATOM 1631 C ASN B 60 11.655 10.962 1.367 1.00 6.85 C ATOM 1632 O ASN B 60 11.227 11.396 2.437 1.00 6.88 O ATOM 1633 CB ASN B 60 11.258 13.247 0.374 1.00 8.14 C ATOM 1634 CG ASN B 60 11.891 14.110 1.452 1.00 8.48 C ATOM 1635 OD1 ASN B 60 11.368 14.220 2.564 1.00 8.51 O ATOM 1636 ND2 ASN B 60 13.020 14.726 1.130 1.00 8.82 N ATOM 0 H ASN B 60 12.346 11.167 -1.733 1.00 7.47 H new ATOM 0 HA ASN B 60 13.041 12.067 0.182 1.00 7.55 H new ATOM 0 HB2 ASN B 60 11.276 13.787 -0.573 1.00 8.14 H new ATOM 0 HB3 ASN B 60 10.211 13.074 0.623 1.00 8.14 H new ATOM 0 HD21 ASN B 60 13.491 15.319 1.814 1.00 8.82 H new ATOM 0 HD22 ASN B 60 13.418 14.607 0.198 1.00 8.82 H new ATOM 1643 N ILE B 61 11.870 9.672 1.155 1.00 6.28 N ATOM 1644 CA ILE B 61 11.622 8.684 2.190 1.00 5.59 C ATOM 1645 C ILE B 61 12.843 8.556 3.090 1.00 5.56 C ATOM 1646 O ILE B 61 13.880 8.045 2.672 1.00 5.56 O ATOM 1647 CB ILE B 61 11.270 7.302 1.592 1.00 4.98 C ATOM 1648 CG1 ILE B 61 10.051 7.416 0.675 1.00 5.03 C ATOM 1649 CG2 ILE B 61 11.008 6.287 2.699 1.00 4.29 C ATOM 1650 CD1 ILE B 61 9.776 6.173 -0.145 1.00 4.62 C ATOM 0 H ILE B 61 12.215 9.287 0.276 1.00 6.28 H new ATOM 0 HA ILE B 61 10.767 9.025 2.773 1.00 5.59 H new ATOM 0 HB ILE B 61 12.120 6.955 1.004 1.00 4.98 H new ATOM 0 HG12 ILE B 61 9.173 7.640 1.281 1.00 5.03 H new ATOM 0 HG13 ILE B 61 10.195 8.259 -0.000 1.00 5.03 H new ATOM 0 HG21 ILE B 61 10.762 5.322 2.257 1.00 4.29 H new ATOM 0 HG22 ILE B 61 11.899 6.186 3.318 1.00 4.29 H new ATOM 0 HG23 ILE B 61 10.175 6.627 3.314 1.00 4.29 H new ATOM 0 HD11 ILE B 61 8.896 6.335 -0.768 1.00 4.62 H new ATOM 0 HD12 ILE B 61 10.636 5.958 -0.780 1.00 4.62 H new ATOM 0 HD13 ILE B 61 9.598 5.329 0.522 1.00 4.62 H new ATOM 1662 N GLN B 62 12.719 9.048 4.314 1.00 5.63 N ATOM 1663 CA GLN B 62 13.808 8.990 5.278 1.00 5.66 C ATOM 1664 C GLN B 62 13.834 7.637 5.975 1.00 5.00 C ATOM 1665 O GLN B 62 13.004 6.765 5.698 1.00 4.51 O ATOM 1666 CB GLN B 62 13.660 10.100 6.319 1.00 6.23 C ATOM 1667 CG GLN B 62 13.972 11.488 5.788 1.00 6.94 C ATOM 1668 CD GLN B 62 13.746 12.565 6.828 1.00 7.54 C ATOM 1669 OE1 GLN B 62 12.652 13.127 6.928 1.00 8.05 O ATOM 1670 NE2 GLN B 62 14.772 12.855 7.610 1.00 7.56 N ATOM 0 H GLN B 62 11.871 9.494 4.664 1.00 5.63 H new ATOM 0 HA GLN B 62 14.745 9.129 4.739 1.00 5.66 H new ATOM 0 HB2 GLN B 62 12.640 10.090 6.704 1.00 6.23 H new ATOM 0 HB3 GLN B 62 14.320 9.887 7.160 1.00 6.23 H new ATOM 0 HG2 GLN B 62 15.009 11.522 5.452 1.00 6.94 H new ATOM 0 HG3 GLN B 62 13.348 11.690 4.917 1.00 6.94 H new ATOM 0 HE21 GLN B 62 15.658 12.364 7.491 1.00 7.56 H new ATOM 0 HE22 GLN B 62 14.677 13.569 8.332 1.00 7.56 H new ATOM 1679 N LYS B 63 14.781 7.466 6.882 1.00 5.05 N ATOM 1680 CA LYS B 63 14.907 6.225 7.624 1.00 4.56 C ATOM 1681 C LYS B 63 13.775 6.087 8.643 1.00 4.55 C ATOM 1682 O LYS B 63 13.258 7.084 9.153 1.00 5.02 O ATOM 1683 CB LYS B 63 16.260 6.161 8.335 1.00 4.73 C ATOM 1684 CG LYS B 63 16.496 7.318 9.292 1.00 5.32 C ATOM 1685 CD LYS B 63 17.696 7.064 10.189 1.00 5.47 C ATOM 1686 CE LYS B 63 17.761 8.079 11.318 1.00 6.08 C ATOM 1687 NZ LYS B 63 16.487 8.150 12.081 1.00 6.18 N ATOM 0 H LYS B 63 15.475 8.174 7.122 1.00 5.05 H new ATOM 0 HA LYS B 63 14.841 5.399 6.916 1.00 4.56 H new ATOM 0 HB2 LYS B 63 16.328 5.223 8.887 1.00 4.73 H new ATOM 0 HB3 LYS B 63 17.054 6.149 7.588 1.00 4.73 H new ATOM 0 HG2 LYS B 63 16.653 8.235 8.724 1.00 5.32 H new ATOM 0 HG3 LYS B 63 15.608 7.471 9.905 1.00 5.32 H new ATOM 0 HD2 LYS B 63 17.637 6.058 10.604 1.00 5.47 H new ATOM 0 HD3 LYS B 63 18.611 7.113 9.599 1.00 5.47 H new ATOM 0 HE2 LYS B 63 18.574 7.816 11.995 1.00 6.08 H new ATOM 0 HE3 LYS B 63 17.993 9.062 10.908 1.00 6.08 H new ATOM 0 HZ1 LYS B 63 16.694 8.313 13.087 1.00 6.18 H new ATOM 0 HZ2 LYS B 63 15.906 8.932 11.715 1.00 6.18 H new ATOM 0 HZ3 LYS B 63 15.969 7.255 11.975 1.00 6.18 H new ATOM 1701 N GLU B 64 13.387 4.843 8.907 1.00 4.12 N ATOM 1702 CA GLU B 64 12.330 4.526 9.866 1.00 4.23 C ATOM 1703 C GLU B 64 10.962 5.045 9.410 1.00 4.21 C ATOM 1704 O GLU B 64 10.037 5.165 10.215 1.00 4.54 O ATOM 1705 CB GLU B 64 12.674 5.075 11.259 1.00 4.87 C ATOM 1706 CG GLU B 64 13.606 4.179 12.066 1.00 4.93 C ATOM 1707 CD GLU B 64 15.075 4.498 11.865 1.00 5.11 C ATOM 1708 OE1 GLU B 64 15.517 5.596 12.277 1.00 5.47 O ATOM 1709 OE2 GLU B 64 15.804 3.640 11.318 1.00 5.06 O ATOM 0 H GLU B 64 13.797 4.022 8.461 1.00 4.12 H new ATOM 0 HA GLU B 64 12.265 3.439 9.922 1.00 4.23 H new ATOM 0 HB2 GLU B 64 13.136 6.056 11.148 1.00 4.87 H new ATOM 0 HB3 GLU B 64 11.750 5.220 11.819 1.00 4.87 H new ATOM 0 HG2 GLU B 64 13.363 4.275 13.124 1.00 4.93 H new ATOM 0 HG3 GLU B 64 13.427 3.140 11.790 1.00 4.93 H new ATOM 1716 N SER B 65 10.829 5.348 8.123 1.00 3.91 N ATOM 1717 CA SER B 65 9.559 5.825 7.589 1.00 3.90 C ATOM 1718 C SER B 65 8.600 4.654 7.399 1.00 3.33 C ATOM 1719 O SER B 65 9.027 3.531 7.112 1.00 2.87 O ATOM 1720 CB SER B 65 9.762 6.559 6.261 1.00 4.00 C ATOM 1721 OG SER B 65 10.614 7.680 6.420 1.00 4.61 O ATOM 0 H SER B 65 11.579 5.273 7.435 1.00 3.91 H new ATOM 0 HA SER B 65 9.131 6.528 8.304 1.00 3.90 H new ATOM 0 HB2 SER B 65 10.189 5.876 5.526 1.00 4.00 H new ATOM 0 HB3 SER B 65 8.797 6.884 5.871 1.00 4.00 H new ATOM 0 HG SER B 65 11.408 7.570 5.856 1.00 4.61 H new ATOM 1727 N THR B 66 7.312 4.912 7.569 1.00 3.44 N ATOM 1728 CA THR B 66 6.305 3.876 7.425 1.00 3.03 C ATOM 1729 C THR B 66 5.674 3.910 6.036 1.00 2.64 C ATOM 1730 O THR B 66 4.971 4.859 5.681 1.00 2.95 O ATOM 1731 CB THR B 66 5.203 4.028 8.492 1.00 3.54 C ATOM 1732 OG1 THR B 66 5.798 4.307 9.769 1.00 4.12 O ATOM 1733 CG2 THR B 66 4.358 2.765 8.584 1.00 3.37 C ATOM 0 H THR B 66 6.941 5.832 7.807 1.00 3.44 H new ATOM 0 HA THR B 66 6.805 2.917 7.562 1.00 3.03 H new ATOM 0 HB THR B 66 4.556 4.856 8.202 1.00 3.54 H new ATOM 0 HG1 THR B 66 5.094 4.405 10.444 1.00 4.12 H new ATOM 0 HG21 THR B 66 3.588 2.897 9.344 1.00 3.37 H new ATOM 0 HG22 THR B 66 3.888 2.571 7.620 1.00 3.37 H new ATOM 0 HG23 THR B 66 4.993 1.921 8.854 1.00 3.37 H new ATOM 1741 N LEU B 67 5.939 2.878 5.252 1.00 2.05 N ATOM 1742 CA LEU B 67 5.391 2.772 3.909 1.00 1.73 C ATOM 1743 C LEU B 67 4.088 1.986 3.955 1.00 1.35 C ATOM 1744 O LEU B 67 3.964 1.039 4.726 1.00 1.37 O ATOM 1745 CB LEU B 67 6.386 2.073 2.976 1.00 1.57 C ATOM 1746 CG LEU B 67 7.782 2.700 2.914 1.00 2.08 C ATOM 1747 CD1 LEU B 67 8.719 1.828 2.092 1.00 2.27 C ATOM 1748 CD2 LEU B 67 7.713 4.105 2.333 1.00 2.73 C ATOM 0 H LEU B 67 6.535 2.096 5.525 1.00 2.05 H new ATOM 0 HA LEU B 67 5.201 3.774 3.525 1.00 1.73 H new ATOM 0 HB2 LEU B 67 6.487 1.035 3.292 1.00 1.57 H new ATOM 0 HB3 LEU B 67 5.967 2.061 1.970 1.00 1.57 H new ATOM 0 HG LEU B 67 8.174 2.768 3.929 1.00 2.08 H new ATOM 0 HD11 LEU B 67 9.707 2.287 2.058 1.00 2.27 H new ATOM 0 HD12 LEU B 67 8.793 0.842 2.550 1.00 2.27 H new ATOM 0 HD13 LEU B 67 8.329 1.729 1.079 1.00 2.27 H new ATOM 0 HD21 LEU B 67 8.715 4.534 2.297 1.00 2.73 H new ATOM 0 HD22 LEU B 67 7.300 4.062 1.325 1.00 2.73 H new ATOM 0 HD23 LEU B 67 7.074 4.727 2.960 1.00 2.73 H new ATOM 1760 N HIS B 68 3.120 2.385 3.147 1.00 1.33 N ATOM 1761 CA HIS B 68 1.835 1.699 3.117 1.00 1.10 C ATOM 1762 C HIS B 68 1.798 0.677 1.989 1.00 0.56 C ATOM 1763 O HIS B 68 1.758 1.039 0.811 1.00 0.78 O ATOM 1764 CB HIS B 68 0.689 2.703 2.956 1.00 1.57 C ATOM 1765 CG HIS B 68 0.246 3.325 4.247 1.00 2.36 C ATOM 1766 ND1 HIS B 68 0.762 4.507 4.726 1.00 2.80 N ATOM 1767 CD2 HIS B 68 -0.659 2.915 5.165 1.00 3.18 C ATOM 1768 CE1 HIS B 68 0.196 4.797 5.881 1.00 3.58 C ATOM 1769 NE2 HIS B 68 -0.672 3.848 6.171 1.00 3.83 N ATOM 0 H HIS B 68 3.196 3.175 2.506 1.00 1.33 H new ATOM 0 HA HIS B 68 1.709 1.176 4.065 1.00 1.10 H new ATOM 0 HB2 HIS B 68 1.002 3.492 2.272 1.00 1.57 H new ATOM 0 HB3 HIS B 68 -0.161 2.200 2.495 1.00 1.57 H new ATOM 0 HD2 HIS B 68 -1.260 2.019 5.115 1.00 3.18 H new ATOM 0 HE1 HIS B 68 0.408 5.665 6.487 1.00 3.58 H new ATOM 0 HE2 HIS B 68 -1.257 3.813 7.006 1.00 3.83 H new ATOM 1778 N LEU B 69 1.830 -0.594 2.354 1.00 0.85 N ATOM 1779 CA LEU B 69 1.793 -1.668 1.377 1.00 1.28 C ATOM 1780 C LEU B 69 0.358 -2.102 1.141 1.00 1.50 C ATOM 1781 O LEU B 69 -0.253 -2.774 1.979 1.00 1.96 O ATOM 1782 CB LEU B 69 2.638 -2.856 1.842 1.00 1.92 C ATOM 1783 CG LEU B 69 2.687 -4.044 0.875 1.00 2.60 C ATOM 1784 CD1 LEU B 69 3.202 -3.609 -0.490 1.00 2.68 C ATOM 1785 CD2 LEU B 69 3.560 -5.154 1.438 1.00 3.24 C ATOM 0 H LEU B 69 1.882 -0.907 3.323 1.00 0.85 H new ATOM 0 HA LEU B 69 2.212 -1.300 0.441 1.00 1.28 H new ATOM 0 HB2 LEU B 69 3.656 -2.510 2.018 1.00 1.92 H new ATOM 0 HB3 LEU B 69 2.250 -3.204 2.799 1.00 1.92 H new ATOM 0 HG LEU B 69 1.673 -4.425 0.754 1.00 2.60 H new ATOM 0 HD11 LEU B 69 3.228 -4.469 -1.160 1.00 2.68 H new ATOM 0 HD12 LEU B 69 2.540 -2.847 -0.903 1.00 2.68 H new ATOM 0 HD13 LEU B 69 4.207 -3.199 -0.386 1.00 2.68 H new ATOM 0 HD21 LEU B 69 3.583 -5.989 0.738 1.00 3.24 H new ATOM 0 HD22 LEU B 69 4.572 -4.779 1.589 1.00 3.24 H new ATOM 0 HD23 LEU B 69 3.151 -5.490 2.391 1.00 3.24 H new ATOM 1797 N VAL B 70 -0.187 -1.697 0.010 1.00 1.39 N ATOM 1798 CA VAL B 70 -1.551 -2.036 -0.338 1.00 1.60 C ATOM 1799 C VAL B 70 -1.588 -3.227 -1.284 1.00 2.32 C ATOM 1800 O VAL B 70 -1.149 -3.135 -2.431 1.00 2.64 O ATOM 1801 CB VAL B 70 -2.275 -0.843 -0.989 1.00 1.32 C ATOM 1802 CG1 VAL B 70 -3.709 -1.209 -1.347 1.00 1.62 C ATOM 1803 CG2 VAL B 70 -2.234 0.365 -0.066 1.00 0.88 C ATOM 0 H VAL B 70 0.298 -1.130 -0.686 1.00 1.39 H new ATOM 0 HA VAL B 70 -2.066 -2.296 0.587 1.00 1.60 H new ATOM 0 HB VAL B 70 -1.758 -0.586 -1.913 1.00 1.32 H new ATOM 0 HG11 VAL B 70 -4.200 -0.351 -1.805 1.00 1.62 H new ATOM 0 HG12 VAL B 70 -3.707 -2.043 -2.048 1.00 1.62 H new ATOM 0 HG13 VAL B 70 -4.248 -1.496 -0.444 1.00 1.62 H new ATOM 0 HG21 VAL B 70 -2.749 1.201 -0.538 1.00 0.88 H new ATOM 0 HG22 VAL B 70 -2.726 0.120 0.875 1.00 0.88 H new ATOM 0 HG23 VAL B 70 -1.197 0.640 0.127 1.00 0.88 H new ATOM 1813 N LEU B 71 -2.095 -4.345 -0.785 1.00 2.72 N ATOM 1814 CA LEU B 71 -2.211 -5.556 -1.582 1.00 3.42 C ATOM 1815 C LEU B 71 -3.451 -5.476 -2.456 1.00 3.52 C ATOM 1816 O LEU B 71 -4.555 -5.787 -2.015 1.00 3.46 O ATOM 1817 CB LEU B 71 -2.281 -6.796 -0.683 1.00 3.93 C ATOM 1818 CG LEU B 71 -0.931 -7.364 -0.237 1.00 4.27 C ATOM 1819 CD1 LEU B 71 -0.252 -6.435 0.758 1.00 4.40 C ATOM 1820 CD2 LEU B 71 -1.115 -8.749 0.364 1.00 4.99 C ATOM 0 H LEU B 71 -2.434 -4.438 0.173 1.00 2.72 H new ATOM 0 HA LEU B 71 -1.327 -5.643 -2.214 1.00 3.42 H new ATOM 0 HB2 LEU B 71 -2.862 -6.547 0.205 1.00 3.93 H new ATOM 0 HB3 LEU B 71 -2.827 -7.577 -1.213 1.00 3.93 H new ATOM 0 HG LEU B 71 -0.288 -7.446 -1.113 1.00 4.27 H new ATOM 0 HD11 LEU B 71 0.705 -6.861 1.059 1.00 4.40 H new ATOM 0 HD12 LEU B 71 -0.086 -5.463 0.294 1.00 4.40 H new ATOM 0 HD13 LEU B 71 -0.888 -6.314 1.635 1.00 4.40 H new ATOM 0 HD21 LEU B 71 -0.147 -9.141 0.677 1.00 4.99 H new ATOM 0 HD22 LEU B 71 -1.777 -8.686 1.227 1.00 4.99 H new ATOM 0 HD23 LEU B 71 -1.552 -9.414 -0.381 1.00 4.99 H new ATOM 1832 N ARG B 72 -3.272 -5.037 -3.687 1.00 3.80 N ATOM 1833 CA ARG B 72 -4.386 -4.904 -4.603 1.00 4.03 C ATOM 1834 C ARG B 72 -4.535 -6.146 -5.473 1.00 4.67 C ATOM 1835 O ARG B 72 -3.779 -6.351 -6.423 1.00 5.21 O ATOM 1836 CB ARG B 72 -4.216 -3.660 -5.476 1.00 4.25 C ATOM 1837 CG ARG B 72 -5.421 -3.363 -6.354 1.00 4.52 C ATOM 1838 CD ARG B 72 -5.197 -2.130 -7.209 1.00 4.87 C ATOM 1839 NE ARG B 72 -4.098 -2.308 -8.153 1.00 5.41 N ATOM 1840 CZ ARG B 72 -3.395 -1.306 -8.671 1.00 5.87 C ATOM 1841 NH1 ARG B 72 -3.664 -0.047 -8.331 1.00 5.90 N ATOM 1842 NH2 ARG B 72 -2.415 -1.567 -9.529 1.00 6.44 N ATOM 0 H ARG B 72 -2.368 -4.767 -4.074 1.00 3.80 H new ATOM 0 HA ARG B 72 -5.295 -4.795 -4.011 1.00 4.03 H new ATOM 0 HB2 ARG B 72 -4.024 -2.800 -4.835 1.00 4.25 H new ATOM 0 HB3 ARG B 72 -3.338 -3.788 -6.109 1.00 4.25 H new ATOM 0 HG2 ARG B 72 -5.624 -4.220 -6.996 1.00 4.52 H new ATOM 0 HG3 ARG B 72 -6.301 -3.218 -5.728 1.00 4.52 H new ATOM 0 HD2 ARG B 72 -6.111 -1.898 -7.757 1.00 4.87 H new ATOM 0 HD3 ARG B 72 -4.986 -1.276 -6.565 1.00 4.87 H new ATOM 0 HE ARG B 72 -3.855 -3.259 -8.432 1.00 5.41 H new ATOM 0 HH11 ARG B 72 -4.414 0.153 -7.669 1.00 5.90 H new ATOM 0 HH12 ARG B 72 -3.120 0.717 -8.732 1.00 5.90 H new ATOM 0 HH21 ARG B 72 -2.206 -2.532 -9.786 1.00 6.44 H new ATOM 0 HH22 ARG B 72 -1.872 -0.803 -9.930 1.00 6.44 H new ATOM 1856 N LEU B 73 -5.505 -6.977 -5.128 1.00 4.67 N ATOM 1857 CA LEU B 73 -5.777 -8.189 -5.880 1.00 5.30 C ATOM 1858 C LEU B 73 -6.962 -7.963 -6.816 1.00 5.53 C ATOM 1859 O LEU B 73 -7.489 -6.850 -6.909 1.00 5.25 O ATOM 1860 CB LEU B 73 -6.063 -9.362 -4.935 1.00 5.36 C ATOM 1861 CG LEU B 73 -4.848 -9.928 -4.192 1.00 5.65 C ATOM 1862 CD1 LEU B 73 -4.604 -9.171 -2.894 1.00 5.66 C ATOM 1863 CD2 LEU B 73 -5.036 -11.414 -3.913 1.00 6.22 C ATOM 0 H LEU B 73 -6.120 -6.832 -4.327 1.00 4.67 H new ATOM 0 HA LEU B 73 -4.896 -8.436 -6.472 1.00 5.30 H new ATOM 0 HB2 LEU B 73 -6.799 -9.040 -4.198 1.00 5.36 H new ATOM 0 HB3 LEU B 73 -6.520 -10.166 -5.512 1.00 5.36 H new ATOM 0 HG LEU B 73 -3.973 -9.802 -4.830 1.00 5.65 H new ATOM 0 HD11 LEU B 73 -3.737 -9.591 -2.385 1.00 5.66 H new ATOM 0 HD12 LEU B 73 -4.421 -8.119 -3.115 1.00 5.66 H new ATOM 0 HD13 LEU B 73 -5.480 -9.259 -2.251 1.00 5.66 H new ATOM 0 HD21 LEU B 73 -4.163 -11.798 -3.385 1.00 6.22 H new ATOM 0 HD22 LEU B 73 -5.925 -11.559 -3.299 1.00 6.22 H new ATOM 0 HD23 LEU B 73 -5.155 -11.949 -4.855 1.00 6.22 H new ATOM 1875 N ARG B 74 -7.385 -9.015 -7.497 1.00 6.12 N ATOM 1876 CA ARG B 74 -8.501 -8.920 -8.428 1.00 6.46 C ATOM 1877 C ARG B 74 -9.743 -9.586 -7.844 1.00 6.87 C ATOM 1878 O ARG B 74 -10.064 -10.730 -8.175 1.00 7.38 O ATOM 1879 CB ARG B 74 -8.139 -9.564 -9.771 1.00 6.96 C ATOM 1880 CG ARG B 74 -7.581 -8.589 -10.801 1.00 7.09 C ATOM 1881 CD ARG B 74 -6.301 -7.918 -10.323 1.00 7.58 C ATOM 1882 NE ARG B 74 -5.243 -8.885 -10.023 1.00 8.13 N ATOM 1883 CZ ARG B 74 -3.943 -8.591 -10.026 1.00 8.51 C ATOM 1884 NH1 ARG B 74 -3.531 -7.360 -10.306 1.00 8.39 N ATOM 1885 NH2 ARG B 74 -3.048 -9.531 -9.746 1.00 9.16 N ATOM 0 H ARG B 74 -6.974 -9.945 -7.424 1.00 6.12 H new ATOM 0 HA ARG B 74 -8.717 -7.865 -8.595 1.00 6.46 H new ATOM 0 HB2 ARG B 74 -7.405 -10.351 -9.598 1.00 6.96 H new ATOM 0 HB3 ARG B 74 -9.028 -10.042 -10.183 1.00 6.96 H new ATOM 0 HG2 ARG B 74 -7.385 -9.120 -11.733 1.00 7.09 H new ATOM 0 HG3 ARG B 74 -8.329 -7.827 -11.020 1.00 7.09 H new ATOM 0 HD2 ARG B 74 -5.950 -7.225 -11.087 1.00 7.58 H new ATOM 0 HD3 ARG B 74 -6.514 -7.328 -9.431 1.00 7.58 H new ATOM 0 HE ARG B 74 -5.518 -9.841 -9.798 1.00 8.13 H new ATOM 0 HH11 ARG B 74 -4.211 -6.631 -10.521 1.00 8.39 H new ATOM 0 HH12 ARG B 74 -2.534 -7.143 -10.306 1.00 8.39 H new ATOM 0 HH21 ARG B 74 -3.355 -10.479 -9.528 1.00 9.16 H new ATOM 0 HH22 ARG B 74 -2.053 -9.305 -9.749 1.00 9.16 H new ATOM 1899 N GLY B 75 -10.424 -8.873 -6.964 1.00 6.78 N ATOM 1900 CA GLY B 75 -11.622 -9.397 -6.343 1.00 7.22 C ATOM 1901 C GLY B 75 -12.384 -8.320 -5.606 1.00 7.03 C ATOM 1902 O GLY B 75 -11.851 -7.231 -5.382 1.00 7.21 O ATOM 0 H GLY B 75 -10.167 -7.932 -6.666 1.00 6.78 H new ATOM 0 HA2 GLY B 75 -12.263 -9.840 -7.105 1.00 7.22 H new ATOM 0 HA3 GLY B 75 -11.354 -10.194 -5.649 1.00 7.22 H new ATOM 1906 N GLY B 76 -13.620 -8.614 -5.232 1.00 6.90 N ATOM 1907 CA GLY B 76 -14.432 -7.645 -4.524 1.00 6.84 C ATOM 1908 C GLY B 76 -15.560 -7.122 -5.386 1.00 7.02 C ATOM 1909 O GLY B 76 -16.569 -6.643 -4.839 1.00 7.18 O ATOM 1910 OXT GLY B 76 -15.445 -7.204 -6.628 1.00 7.20 O ATOM 0 H GLY B 76 -14.077 -9.509 -5.407 1.00 6.90 H new ATOM 0 HA2 GLY B 76 -14.844 -8.103 -3.625 1.00 6.84 H new ATOM 0 HA3 GLY B 76 -13.806 -6.813 -4.200 1.00 6.84 H new