USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 THR OG1 : rot -81:sc= 1.05 USER MOD Set 1.2: A 35 SER OG : rot -85:sc= -0.612! USER MOD Set 2.1: A 19 THR OG1 : rot 71:sc= -4.87! USER MOD Set 2.2: A 62 THR OG1 : rot -93:sc= 0.171 USER MOD Set 3.1: A 14 THR OG1 : rot 91:sc= 1.07 USER MOD Set 3.2: A 17 THR OG1 : rot 180:sc= -0.0829 USER MOD Single : A 0 SER N :NH3+ -155:sc= -0.0569 (180deg=-0.399) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= -2.19! (180deg=-2.21!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 144:sc= 0.00273 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= -0.632 (180deg=-0.9) USER MOD Single : A 45 ASN : amide:sc= -1.86! K(o=-1.9!,f=-0.64) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.56 K(o=-1.6,f=-8.2!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.9!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00145 USER MOD Single : A 67 THR OG1 : rot -46:sc= 0.184 USER MOD Single : A 72 TYR OH : rot 90:sc= -4.28! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -13.6! C(o=-14!,f=-23!) USER MOD Single : A 86 SER OG : rot 45:sc= -3.09! USER MOD Single : A 89 SER OG : rot -115:sc= -2.48! USER MOD Single : A 92 SER OG : rot -107:sc= -2.81! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot -75:sc= -6.1 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -25.449 -4.120 -5.767 1.00 2.05 N ATOM 2 CA SER A 0 -24.566 -3.392 -4.818 1.00 1.55 C ATOM 3 C SER A 0 -23.140 -3.932 -4.863 1.00 1.39 C ATOM 4 O SER A 0 -22.746 -4.738 -4.021 1.00 1.50 O ATOM 5 CB SER A 0 -25.139 -3.541 -3.407 1.00 2.08 C ATOM 6 OG SER A 0 -25.629 -2.303 -2.920 1.00 2.74 O ATOM 0 H1 SER A 0 -26.247 -3.510 -6.037 1.00 2.05 H new ATOM 0 H2 SER A 0 -24.908 -4.378 -6.617 1.00 2.05 H new ATOM 0 H3 SER A 0 -25.811 -4.982 -5.312 1.00 2.05 H new ATOM 0 HA SER A 0 -24.528 -2.340 -5.102 1.00 1.55 H new ATOM 0 HB2 SER A 0 -25.944 -4.276 -3.414 1.00 2.08 H new ATOM 0 HB3 SER A 0 -24.368 -3.919 -2.736 1.00 2.08 H new ATOM 0 HG SER A 0 -25.991 -2.427 -2.018 1.00 2.74 H new ATOM 12 N PRO A 1 -22.346 -3.492 -5.853 1.00 1.23 N ATOM 13 CA PRO A 1 -20.966 -3.924 -6.016 1.00 1.19 C ATOM 14 C PRO A 1 -19.985 -3.001 -5.305 1.00 1.24 C ATOM 15 O PRO A 1 -20.362 -1.931 -4.824 1.00 2.06 O ATOM 16 CB PRO A 1 -20.784 -3.840 -7.527 1.00 1.18 C ATOM 17 CG PRO A 1 -21.650 -2.696 -7.954 1.00 1.26 C ATOM 18 CD PRO A 1 -22.728 -2.532 -6.903 1.00 1.24 C ATOM 0 HA PRO A 1 -20.776 -4.910 -5.592 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.741 -3.666 -7.791 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -21.085 -4.767 -8.014 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.062 -1.783 -8.048 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.092 -2.892 -8.931 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.761 -1.512 -6.520 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.716 -2.753 -7.306 1.00 1.24 H new ATOM 26 N ILE A 2 -18.725 -3.415 -5.240 1.00 0.68 N ATOM 27 CA ILE A 2 -17.700 -2.615 -4.587 1.00 0.61 C ATOM 28 C ILE A 2 -16.423 -2.562 -5.416 1.00 0.57 C ATOM 29 O ILE A 2 -15.977 -3.573 -5.958 1.00 0.63 O ATOM 30 CB ILE A 2 -17.359 -3.154 -3.185 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.381 -2.183 -2.486 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.795 -4.570 -3.294 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.359 -2.825 -1.562 1.00 0.56 C ATOM 0 H ILE A 2 -18.391 -4.296 -5.630 1.00 0.68 H new ATOM 0 HA ILE A 2 -18.112 -1.611 -4.491 1.00 0.61 H new ATOM 0 HB ILE A 2 -18.260 -3.214 -2.574 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.847 -1.621 -3.252 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.963 -1.464 -1.910 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.556 -4.944 -2.298 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.535 -5.222 -3.759 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.891 -4.556 -3.903 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.726 -2.052 -1.126 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.875 -3.362 -0.766 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.742 -3.522 -2.130 1.00 0.56 H new ATOM 45 N ASP A 3 -15.838 -1.374 -5.500 1.00 0.55 N ATOM 46 CA ASP A 3 -14.605 -1.175 -6.252 1.00 0.54 C ATOM 47 C ASP A 3 -13.515 -0.616 -5.344 1.00 0.47 C ATOM 48 O ASP A 3 -13.791 0.196 -4.461 1.00 0.49 O ATOM 49 CB ASP A 3 -14.842 -0.227 -7.430 1.00 0.61 C ATOM 50 CG ASP A 3 -15.915 -0.733 -8.373 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.650 -1.667 -7.989 1.00 2.00 O ATOM 52 OD2 ASP A 3 -16.020 -0.196 -9.495 1.00 1.64 O ATOM 0 H ASP A 3 -16.199 -0.530 -5.055 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.280 -2.140 -6.640 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.129 0.754 -7.051 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.910 -0.096 -7.981 1.00 0.61 H new ATOM 57 N PRO A 4 -12.259 -1.045 -5.543 1.00 0.44 N ATOM 58 CA PRO A 4 -11.132 -0.584 -4.733 1.00 0.41 C ATOM 59 C PRO A 4 -10.612 0.779 -5.182 1.00 0.38 C ATOM 60 O PRO A 4 -10.987 1.278 -6.242 1.00 0.43 O ATOM 61 CB PRO A 4 -10.088 -1.671 -4.965 1.00 0.45 C ATOM 62 CG PRO A 4 -10.346 -2.132 -6.359 1.00 0.50 C ATOM 63 CD PRO A 4 -11.835 -2.017 -6.572 1.00 0.50 C ATOM 0 HA PRO A 4 -11.399 -0.443 -3.686 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.076 -1.282 -4.855 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.195 -2.486 -4.249 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.802 -1.520 -7.078 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.011 -3.160 -6.497 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.070 -1.666 -7.577 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.334 -2.978 -6.445 1.00 0.50 H new ATOM 71 N PRO A 5 -9.740 1.403 -4.372 1.00 0.37 N ATOM 72 CA PRO A 5 -9.169 2.718 -4.686 1.00 0.39 C ATOM 73 C PRO A 5 -8.345 2.716 -5.969 1.00 0.38 C ATOM 74 O PRO A 5 -8.119 1.667 -6.574 1.00 0.47 O ATOM 75 CB PRO A 5 -8.271 3.027 -3.484 1.00 0.46 C ATOM 76 CG PRO A 5 -8.024 1.712 -2.826 1.00 0.71 C ATOM 77 CD PRO A 5 -9.244 0.879 -3.088 1.00 0.43 C ATOM 0 HA PRO A 5 -9.953 3.457 -4.853 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.336 3.490 -3.801 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -8.756 3.724 -2.800 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.132 1.235 -3.232 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -7.860 1.837 -1.756 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.001 -0.182 -3.153 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -9.984 0.989 -2.295 1.00 0.43 H new ATOM 85 N GLY A 6 -7.898 3.901 -6.373 1.00 0.37 N ATOM 86 CA GLY A 6 -7.100 4.029 -7.579 1.00 0.39 C ATOM 87 C GLY A 6 -5.695 3.487 -7.405 1.00 0.42 C ATOM 88 O GLY A 6 -5.321 3.055 -6.314 1.00 0.66 O ATOM 0 H GLY A 6 -8.075 4.779 -5.884 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.592 3.499 -8.394 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -7.048 5.079 -7.867 1.00 0.39 H new ATOM 92 N LYS A 7 -4.914 3.511 -8.481 1.00 0.41 N ATOM 93 CA LYS A 7 -3.541 3.020 -8.439 1.00 0.44 C ATOM 94 C LYS A 7 -2.715 3.822 -7.432 1.00 0.37 C ATOM 95 O LYS A 7 -2.687 5.050 -7.491 1.00 0.42 O ATOM 96 CB LYS A 7 -2.903 3.113 -9.827 1.00 0.54 C ATOM 97 CG LYS A 7 -1.415 2.798 -9.835 1.00 0.64 C ATOM 98 CD LYS A 7 -0.924 2.446 -11.231 1.00 1.01 C ATOM 99 CE LYS A 7 0.456 1.809 -11.192 1.00 0.95 C ATOM 100 NZ LYS A 7 1.326 2.297 -12.297 1.00 1.52 N ATOM 0 H LYS A 7 -5.208 3.865 -9.391 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.559 1.976 -8.125 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.415 2.425 -10.500 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -3.055 4.118 -10.221 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.859 3.657 -9.459 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -1.215 1.967 -9.158 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.629 1.762 -11.704 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -0.893 3.346 -11.845 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.929 2.027 -10.235 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.357 0.726 -11.259 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 2.257 1.838 -12.234 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.888 2.067 -13.212 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 1.442 3.328 -12.218 1.00 1.52 H new ATOM 114 N PRO A 8 -2.027 3.147 -6.488 1.00 0.34 N ATOM 115 CA PRO A 8 -1.208 3.826 -5.477 1.00 0.32 C ATOM 116 C PRO A 8 0.093 4.367 -6.062 1.00 0.33 C ATOM 117 O PRO A 8 0.566 3.888 -7.093 1.00 0.44 O ATOM 118 CB PRO A 8 -0.922 2.730 -4.434 1.00 0.39 C ATOM 119 CG PRO A 8 -1.774 1.565 -4.832 1.00 0.44 C ATOM 120 CD PRO A 8 -1.980 1.690 -6.313 1.00 0.41 C ATOM 0 HA PRO A 8 -1.717 4.694 -5.059 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.134 2.460 -4.428 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -1.169 3.071 -3.429 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.286 0.622 -4.584 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.727 1.580 -4.303 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.166 1.236 -6.879 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.902 1.209 -6.640 1.00 0.41 H new ATOM 128 N VAL A 9 0.666 5.371 -5.403 1.00 0.34 N ATOM 129 CA VAL A 9 1.908 5.974 -5.873 1.00 0.38 C ATOM 130 C VAL A 9 2.718 6.574 -4.719 1.00 0.34 C ATOM 131 O VAL A 9 2.283 7.534 -4.081 1.00 0.35 O ATOM 132 CB VAL A 9 1.621 7.074 -6.914 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.926 8.264 -6.270 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.906 7.504 -7.604 1.00 0.53 C ATOM 0 H VAL A 9 0.292 5.781 -4.547 1.00 0.34 H new ATOM 0 HA VAL A 9 2.494 5.178 -6.333 1.00 0.38 H new ATOM 0 HB VAL A 9 0.950 6.663 -7.668 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.735 9.026 -7.025 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.019 7.941 -5.833 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.564 8.679 -5.489 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.684 8.281 -8.335 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.605 7.892 -6.863 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.352 6.647 -8.109 1.00 0.53 H new ATOM 144 N PRO A 10 3.911 6.016 -4.432 1.00 0.34 N ATOM 145 CA PRO A 10 4.772 6.501 -3.349 1.00 0.32 C ATOM 146 C PRO A 10 5.225 7.942 -3.536 1.00 0.37 C ATOM 147 O PRO A 10 6.029 8.241 -4.419 1.00 0.64 O ATOM 148 CB PRO A 10 5.987 5.572 -3.386 1.00 0.38 C ATOM 149 CG PRO A 10 5.554 4.382 -4.165 1.00 0.39 C ATOM 150 CD PRO A 10 4.506 4.865 -5.126 1.00 0.42 C ATOM 0 HA PRO A 10 4.233 6.492 -2.402 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.840 6.060 -3.857 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.297 5.291 -2.379 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.395 3.939 -4.698 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.152 3.612 -3.507 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.941 5.154 -6.083 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.764 4.093 -5.333 1.00 0.42 H new ATOM 158 N LEU A 11 4.726 8.830 -2.683 1.00 0.34 N ATOM 159 CA LEU A 11 5.110 10.233 -2.744 1.00 0.43 C ATOM 160 C LEU A 11 6.560 10.360 -2.305 1.00 0.43 C ATOM 161 O LEU A 11 7.312 11.197 -2.805 1.00 0.57 O ATOM 162 CB LEU A 11 4.214 11.091 -1.839 1.00 0.56 C ATOM 163 CG LEU A 11 2.702 10.867 -1.978 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.319 10.561 -3.420 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.241 9.754 -1.050 1.00 1.12 C ATOM 0 H LEU A 11 4.059 8.604 -1.946 1.00 0.34 H new ATOM 0 HA LEU A 11 4.992 10.590 -3.767 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.495 10.905 -0.802 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.425 12.141 -2.043 1.00 0.56 H new ATOM 0 HG LEU A 11 2.197 11.789 -1.690 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.242 10.407 -3.486 1.00 1.64 H new ATOM 0 HD12 LEU A 11 2.606 11.397 -4.058 1.00 1.64 H new ATOM 0 HD13 LEU A 11 2.835 9.659 -3.750 1.00 1.64 H new ATOM 0 HD21 LEU A 11 1.167 9.609 -1.162 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.760 8.830 -1.304 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.465 10.024 -0.018 1.00 1.12 H new ATOM 177 N ASN A 12 6.937 9.499 -1.366 1.00 0.34 N ATOM 178 CA ASN A 12 8.289 9.461 -0.835 1.00 0.36 C ATOM 179 C ASN A 12 8.671 8.016 -0.557 1.00 0.37 C ATOM 180 O ASN A 12 7.841 7.228 -0.111 1.00 0.58 O ATOM 181 CB ASN A 12 8.386 10.290 0.446 1.00 0.42 C ATOM 182 CG ASN A 12 9.802 10.749 0.732 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.125 11.929 0.588 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.655 9.817 1.139 1.00 0.71 N ATOM 0 H ASN A 12 6.311 8.808 -0.953 1.00 0.34 H new ATOM 0 HA ASN A 12 8.976 9.887 -1.566 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.735 11.160 0.362 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.022 9.699 1.286 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.622 10.066 1.346 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.343 8.851 1.244 1.00 0.71 H new ATOM 191 N ILE A 13 9.915 7.658 -0.833 1.00 0.38 N ATOM 192 CA ILE A 13 10.362 6.293 -0.613 1.00 0.43 C ATOM 193 C ILE A 13 11.709 6.240 0.092 1.00 0.53 C ATOM 194 O ILE A 13 12.751 6.500 -0.509 1.00 0.75 O ATOM 195 CB ILE A 13 10.451 5.531 -1.939 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.378 6.281 -2.904 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.052 5.355 -2.523 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.204 5.892 -4.352 1.00 0.96 C ATOM 0 H ILE A 13 10.626 8.287 -1.206 1.00 0.38 H new ATOM 0 HA ILE A 13 9.622 5.819 0.031 1.00 0.43 H new ATOM 0 HB ILE A 13 10.873 4.540 -1.773 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.201 7.352 -2.803 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.412 6.100 -2.612 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.117 4.813 -3.466 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.434 4.793 -1.823 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.605 6.334 -2.697 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.895 6.467 -4.969 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.411 4.828 -4.470 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.180 6.100 -4.664 1.00 0.96 H new ATOM 210 N THR A 14 11.675 5.894 1.373 1.00 0.59 N ATOM 211 CA THR A 14 12.887 5.795 2.171 1.00 0.71 C ATOM 212 C THR A 14 13.349 4.346 2.255 1.00 0.79 C ATOM 213 O THR A 14 12.540 3.421 2.183 1.00 1.46 O ATOM 214 CB THR A 14 12.645 6.352 3.574 1.00 0.75 C ATOM 215 OG1 THR A 14 11.542 7.241 3.576 1.00 0.69 O ATOM 216 CG2 THR A 14 13.835 7.099 4.135 1.00 0.94 C ATOM 0 H THR A 14 10.818 5.677 1.881 1.00 0.59 H new ATOM 0 HA THR A 14 13.668 6.384 1.690 1.00 0.71 H new ATOM 0 HB THR A 14 12.454 5.481 4.201 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.721 6.743 3.771 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.596 7.468 5.132 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.692 6.428 4.192 1.00 0.94 H new ATOM 0 HG23 THR A 14 14.076 7.940 3.485 1.00 0.94 H new ATOM 224 N ARG A 15 14.654 4.153 2.405 1.00 0.66 N ATOM 225 CA ARG A 15 15.218 2.810 2.494 1.00 0.67 C ATOM 226 C ARG A 15 14.650 2.043 3.690 1.00 0.71 C ATOM 227 O ARG A 15 14.772 0.821 3.765 1.00 1.19 O ATOM 228 CB ARG A 15 16.746 2.868 2.585 1.00 0.80 C ATOM 229 CG ARG A 15 17.275 4.013 3.434 1.00 0.96 C ATOM 230 CD ARG A 15 16.585 4.076 4.786 1.00 1.13 C ATOM 231 NE ARG A 15 17.429 4.698 5.803 1.00 1.43 N ATOM 232 CZ ARG A 15 17.720 5.994 5.829 1.00 1.67 C ATOM 233 NH1 ARG A 15 17.235 6.804 4.897 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.496 6.482 6.787 1.00 1.90 N ATOM 0 H ARG A 15 15.340 4.905 2.467 1.00 0.66 H new ATOM 0 HA ARG A 15 14.938 2.278 1.585 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.111 1.927 2.996 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.156 2.957 1.579 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.349 3.893 3.579 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.128 4.955 2.906 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.656 4.638 4.693 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.317 3.068 5.104 1.00 1.13 H new ATOM 0 HE ARG A 15 17.817 4.103 6.535 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.637 6.432 4.159 1.00 2.42 H new ATOM 0 HH12 ARG A 15 17.460 7.799 4.919 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.870 5.862 7.505 1.00 1.90 H new ATOM 0 HH22 ARG A 15 18.719 7.477 6.806 1.00 1.90 H new ATOM 248 N HIS A 16 14.030 2.759 4.624 1.00 0.50 N ATOM 249 CA HIS A 16 13.450 2.125 5.803 1.00 0.54 C ATOM 250 C HIS A 16 12.026 2.617 6.059 1.00 0.57 C ATOM 251 O HIS A 16 11.492 2.441 7.154 1.00 0.97 O ATOM 252 CB HIS A 16 14.322 2.389 7.031 1.00 0.67 C ATOM 253 CG HIS A 16 15.230 1.248 7.374 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.790 0.032 7.849 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.582 1.154 7.302 1.00 0.78 C ATOM 256 CE1 HIS A 16 15.864 -0.745 8.048 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.976 -0.110 7.730 1.00 0.86 N ATOM 0 H HIS A 16 13.917 3.772 4.588 1.00 0.50 H new ATOM 0 HA HIS A 16 13.408 1.052 5.615 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.923 3.281 6.855 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.679 2.601 7.885 1.00 0.67 H new ATOM 0 HD2 HIS A 16 17.247 1.936 6.966 1.00 0.78 H new ATOM 0 HE1 HIS A 16 15.824 -1.758 8.420 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.928 -0.471 7.786 1.00 0.86 H new ATOM 265 N THR A 17 11.414 3.229 5.047 1.00 0.43 N ATOM 266 CA THR A 17 10.053 3.737 5.170 1.00 0.42 C ATOM 267 C THR A 17 9.563 4.307 3.844 1.00 0.38 C ATOM 268 O THR A 17 9.992 5.379 3.419 1.00 0.56 O ATOM 269 CB THR A 17 9.977 4.815 6.253 1.00 0.56 C ATOM 270 OG1 THR A 17 11.217 5.488 6.380 1.00 0.65 O ATOM 271 CG2 THR A 17 9.605 4.271 7.617 1.00 0.68 C ATOM 0 H THR A 17 11.841 3.384 4.134 1.00 0.43 H new ATOM 0 HA THR A 17 9.410 2.903 5.452 1.00 0.42 H new ATOM 0 HB THR A 17 9.191 5.496 5.927 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.147 6.174 7.076 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.569 5.088 8.337 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.628 3.791 7.563 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.350 3.541 7.933 1.00 0.68 H new ATOM 279 N VAL A 18 8.662 3.579 3.196 1.00 0.27 N ATOM 280 CA VAL A 18 8.111 4.007 1.917 1.00 0.33 C ATOM 281 C VAL A 18 6.707 4.584 2.092 1.00 0.32 C ATOM 282 O VAL A 18 5.790 3.892 2.530 1.00 0.51 O ATOM 283 CB VAL A 18 8.064 2.840 0.916 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.544 3.316 -0.430 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.439 2.202 0.771 1.00 0.46 C ATOM 0 H VAL A 18 8.297 2.689 3.536 1.00 0.27 H new ATOM 0 HA VAL A 18 8.768 4.783 1.524 1.00 0.33 H new ATOM 0 HB VAL A 18 7.379 2.083 1.299 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.517 2.478 -1.127 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.539 3.720 -0.309 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.203 4.092 -0.821 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.385 1.379 0.059 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.149 2.946 0.412 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.768 1.824 1.739 1.00 0.46 H new ATOM 295 N THR A 19 6.555 5.861 1.752 1.00 0.27 N ATOM 296 CA THR A 19 5.272 6.550 1.873 1.00 0.24 C ATOM 297 C THR A 19 4.532 6.599 0.536 1.00 0.22 C ATOM 298 O THR A 19 5.097 7.020 -0.474 1.00 0.34 O ATOM 299 CB THR A 19 5.504 7.976 2.387 1.00 0.28 C ATOM 300 OG1 THR A 19 5.915 7.961 3.742 1.00 0.35 O ATOM 301 CG2 THR A 19 4.281 8.865 2.287 1.00 0.32 C ATOM 0 H THR A 19 7.309 6.443 1.388 1.00 0.27 H new ATOM 0 HA THR A 19 4.654 5.994 2.578 1.00 0.24 H new ATOM 0 HB THR A 19 6.280 8.387 1.741 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.828 7.611 3.803 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.520 9.857 2.669 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.971 8.942 1.245 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.470 8.436 2.876 1.00 0.32 H new ATOM 309 N LEU A 20 3.262 6.181 0.539 1.00 0.28 N ATOM 310 CA LEU A 20 2.464 6.199 -0.679 1.00 0.26 C ATOM 311 C LEU A 20 1.032 6.650 -0.428 1.00 0.28 C ATOM 312 O LEU A 20 0.499 6.546 0.682 1.00 0.40 O ATOM 313 CB LEU A 20 2.456 4.833 -1.392 1.00 0.33 C ATOM 314 CG LEU A 20 2.866 3.613 -0.560 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.300 3.741 -0.079 1.00 0.50 C ATOM 316 CD2 LEU A 20 1.912 3.404 0.605 1.00 0.52 C ATOM 0 H LEU A 20 2.774 5.831 1.364 1.00 0.28 H new ATOM 0 HA LEU A 20 2.946 6.928 -1.331 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.452 4.658 -1.778 1.00 0.33 H new ATOM 0 HB3 LEU A 20 3.122 4.896 -2.253 1.00 0.33 H new ATOM 0 HG LEU A 20 2.807 2.733 -1.200 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.566 2.863 0.509 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.966 3.818 -0.938 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.398 4.634 0.538 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.225 2.532 1.180 1.00 0.52 H new ATOM 0 HD22 LEU A 20 1.923 4.285 1.247 1.00 0.52 H new ATOM 0 HD23 LEU A 20 0.903 3.245 0.225 1.00 0.52 H new ATOM 328 N LYS A 21 0.427 7.148 -1.498 1.00 0.25 N ATOM 329 CA LYS A 21 -0.946 7.628 -1.481 1.00 0.31 C ATOM 330 C LYS A 21 -1.744 6.903 -2.557 1.00 0.31 C ATOM 331 O LYS A 21 -1.252 5.951 -3.161 1.00 0.51 O ATOM 332 CB LYS A 21 -0.981 9.138 -1.740 1.00 0.40 C ATOM 333 CG LYS A 21 -1.483 9.960 -0.563 1.00 0.81 C ATOM 334 CD LYS A 21 -2.958 9.715 -0.291 1.00 0.95 C ATOM 335 CE LYS A 21 -3.848 10.639 -1.112 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.356 10.814 -2.507 1.00 1.84 N ATOM 0 H LYS A 21 0.880 7.230 -2.408 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.384 7.430 -0.503 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.022 9.474 -2.002 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -1.618 9.333 -2.603 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -0.904 9.713 0.326 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.322 11.019 -0.764 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -3.202 8.678 -0.520 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.161 9.863 0.770 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -4.861 10.236 -1.135 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.903 11.612 -0.625 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.977 11.477 -3.013 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.387 11.192 -2.489 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.360 9.895 -2.994 1.00 1.84 H new ATOM 350 N TRP A 22 -2.964 7.359 -2.808 1.00 0.25 N ATOM 351 CA TRP A 22 -3.799 6.746 -3.828 1.00 0.24 C ATOM 352 C TRP A 22 -5.153 7.437 -3.943 1.00 0.24 C ATOM 353 O TRP A 22 -5.579 8.155 -3.038 1.00 0.40 O ATOM 354 CB TRP A 22 -3.985 5.251 -3.561 1.00 0.27 C ATOM 355 CG TRP A 22 -4.623 4.908 -2.251 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.955 4.772 -2.005 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.956 4.628 -1.012 1.00 0.25 C ATOM 358 NE1 TRP A 22 -6.161 4.430 -0.693 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.951 4.337 -0.060 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.618 4.599 -0.615 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.652 4.017 1.264 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -2.318 4.284 0.697 1.00 0.31 C ATOM 363 CH2 TRP A 22 -3.331 3.996 1.624 1.00 0.32 C ATOM 0 H TRP A 22 -3.394 8.146 -2.322 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.282 6.867 -4.780 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.591 4.828 -4.363 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.010 4.766 -3.609 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.736 4.913 -2.737 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -7.070 4.271 -0.259 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.831 4.819 -1.321 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -5.432 3.794 1.977 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -1.286 4.259 1.014 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -3.064 3.753 2.642 1.00 0.32 H new ATOM 374 N ALA A 23 -5.814 7.218 -5.073 1.00 0.31 N ATOM 375 CA ALA A 23 -7.115 7.817 -5.338 1.00 0.33 C ATOM 376 C ALA A 23 -8.241 7.048 -4.658 1.00 0.36 C ATOM 377 O ALA A 23 -8.049 5.934 -4.171 1.00 0.83 O ATOM 378 CB ALA A 23 -7.360 7.881 -6.838 1.00 0.36 C ATOM 0 H ALA A 23 -5.466 6.625 -5.826 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.107 8.826 -4.925 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.335 8.330 -7.029 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.584 8.485 -7.308 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.337 6.874 -7.254 1.00 0.36 H new ATOM 384 N LYS A 24 -9.422 7.658 -4.640 1.00 0.59 N ATOM 385 CA LYS A 24 -10.600 7.048 -4.037 1.00 0.61 C ATOM 386 C LYS A 24 -11.319 6.171 -5.055 1.00 0.59 C ATOM 387 O LYS A 24 -11.414 6.526 -6.229 1.00 0.69 O ATOM 388 CB LYS A 24 -11.548 8.139 -3.530 1.00 0.74 C ATOM 389 CG LYS A 24 -12.480 7.686 -2.417 1.00 1.21 C ATOM 390 CD LYS A 24 -13.687 6.935 -2.964 1.00 1.22 C ATOM 391 CE LYS A 24 -14.880 7.860 -3.144 1.00 1.55 C ATOM 392 NZ LYS A 24 -16.125 7.277 -2.576 1.00 2.11 N ATOM 0 H LYS A 24 -9.588 8.582 -5.040 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.285 6.427 -3.198 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -10.956 8.982 -3.173 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -12.147 8.501 -4.365 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -11.935 7.044 -1.725 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.817 8.553 -1.849 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -13.431 6.479 -3.920 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.952 6.125 -2.285 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.674 8.816 -2.662 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -15.025 8.063 -4.205 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.915 7.938 -2.719 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -16.336 6.377 -3.053 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.996 7.107 -1.558 1.00 2.11 H new ATOM 406 N PRO A 25 -11.844 5.013 -4.623 1.00 0.56 N ATOM 407 CA PRO A 25 -12.560 4.100 -5.510 1.00 0.63 C ATOM 408 C PRO A 25 -13.570 4.837 -6.382 1.00 0.75 C ATOM 409 O PRO A 25 -13.880 6.003 -6.137 1.00 0.89 O ATOM 410 CB PRO A 25 -13.271 3.132 -4.549 1.00 0.63 C ATOM 411 CG PRO A 25 -13.047 3.680 -3.175 1.00 0.71 C ATOM 412 CD PRO A 25 -11.794 4.501 -3.251 1.00 0.58 C ATOM 0 HA PRO A 25 -11.891 3.594 -6.206 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.335 3.068 -4.775 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -12.865 2.124 -4.639 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.893 4.289 -2.856 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -12.942 2.875 -2.447 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.789 5.306 -2.516 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -10.902 3.901 -3.072 1.00 0.58 H new ATOM 420 N GLU A 26 -14.071 4.155 -7.403 1.00 0.85 N ATOM 421 CA GLU A 26 -15.039 4.750 -8.316 1.00 1.05 C ATOM 422 C GLU A 26 -16.453 4.262 -8.027 1.00 0.95 C ATOM 423 O GLU A 26 -17.361 5.063 -7.803 1.00 1.12 O ATOM 424 CB GLU A 26 -14.663 4.432 -9.765 1.00 1.29 C ATOM 425 CG GLU A 26 -13.269 4.901 -10.148 1.00 1.83 C ATOM 426 CD GLU A 26 -13.281 5.885 -11.303 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.479 5.446 -12.455 1.00 2.77 O ATOM 428 OE2 GLU A 26 -13.090 7.094 -11.054 1.00 2.53 O ATOM 0 H GLU A 26 -13.824 3.190 -7.620 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.018 5.829 -8.165 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -14.731 3.355 -9.921 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.390 4.897 -10.431 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -12.796 5.367 -9.283 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -12.660 4.038 -10.417 1.00 1.83 H new ATOM 435 N TYR A 27 -16.641 2.948 -8.036 1.00 0.85 N ATOM 436 CA TYR A 27 -17.954 2.370 -7.778 1.00 0.84 C ATOM 437 C TYR A 27 -17.969 1.591 -6.469 1.00 0.86 C ATOM 438 O TYR A 27 -18.212 0.385 -6.461 1.00 1.37 O ATOM 439 CB TYR A 27 -18.369 1.449 -8.926 1.00 0.86 C ATOM 440 CG TYR A 27 -19.865 1.365 -9.126 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.661 0.641 -8.248 1.00 0.93 C ATOM 442 CD2 TYR A 27 -20.481 2.012 -10.191 1.00 1.15 C ATOM 443 CE1 TYR A 27 -22.029 0.562 -8.426 1.00 1.04 C ATOM 444 CE2 TYR A 27 -21.850 1.938 -10.375 1.00 1.28 C ATOM 445 CZ TYR A 27 -22.618 1.210 -9.497 1.00 1.19 C ATOM 446 OH TYR A 27 -23.982 1.133 -9.668 1.00 1.35 O ATOM 0 H TYR A 27 -15.905 2.266 -8.218 1.00 0.85 H new ATOM 0 HA TYR A 27 -18.665 3.193 -7.699 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -17.907 1.802 -9.848 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -17.980 0.449 -8.737 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.204 0.132 -7.413 1.00 0.93 H new ATOM 0 HD2 TYR A 27 -19.881 2.581 -10.886 1.00 1.15 H new ATOM 0 HE1 TYR A 27 -22.635 -0.002 -7.733 1.00 1.04 H new ATOM 0 HE2 TYR A 27 -22.314 2.450 -11.205 1.00 1.28 H new ATOM 0 HH TYR A 27 -24.241 1.642 -10.464 1.00 1.35 H new ATOM 456 N THR A 28 -17.718 2.282 -5.364 1.00 0.65 N ATOM 457 CA THR A 28 -17.715 1.635 -4.059 1.00 0.61 C ATOM 458 C THR A 28 -19.057 0.968 -3.793 1.00 0.66 C ATOM 459 O THR A 28 -19.143 0.020 -3.019 1.00 0.81 O ATOM 460 CB THR A 28 -17.410 2.643 -2.952 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.460 3.585 -2.828 1.00 0.91 O ATOM 462 CG2 THR A 28 -16.126 3.408 -3.177 1.00 0.79 C ATOM 0 H THR A 28 -17.516 3.282 -5.345 1.00 0.65 H new ATOM 0 HA THR A 28 -16.934 0.875 -4.063 1.00 0.61 H new ATOM 0 HB THR A 28 -17.304 2.051 -2.043 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.581 3.817 -1.884 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.970 4.106 -2.355 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.290 2.710 -3.224 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.191 3.960 -4.114 1.00 0.79 H new ATOM 470 N GLY A 29 -20.104 1.471 -4.440 1.00 0.75 N ATOM 471 CA GLY A 29 -21.428 0.909 -4.251 1.00 0.80 C ATOM 472 C GLY A 29 -22.269 1.748 -3.308 1.00 0.85 C ATOM 473 O GLY A 29 -23.278 2.330 -3.706 1.00 1.01 O ATOM 0 H GLY A 29 -20.059 2.256 -5.090 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.931 0.832 -5.215 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.340 -0.103 -3.856 1.00 0.80 H new ATOM 477 N GLY A 30 -21.840 1.807 -2.054 1.00 0.83 N ATOM 478 CA GLY A 30 -22.541 2.575 -1.045 1.00 0.89 C ATOM 479 C GLY A 30 -21.836 2.447 0.283 1.00 0.85 C ATOM 480 O GLY A 30 -22.469 2.304 1.330 1.00 0.98 O ATOM 0 H GLY A 30 -21.006 1.328 -1.715 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.588 3.623 -1.341 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.568 2.222 -0.956 1.00 0.89 H new ATOM 484 N PHE A 31 -20.510 2.471 0.221 1.00 0.73 N ATOM 485 CA PHE A 31 -19.678 2.326 1.403 1.00 0.69 C ATOM 486 C PHE A 31 -18.507 3.310 1.374 1.00 0.67 C ATOM 487 O PHE A 31 -18.401 4.131 0.462 1.00 0.74 O ATOM 488 CB PHE A 31 -19.162 0.884 1.494 1.00 0.63 C ATOM 489 CG PHE A 31 -19.954 -0.122 0.693 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.223 -0.499 1.108 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.437 -0.688 -0.464 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.960 -1.418 0.387 1.00 0.87 C ATOM 493 CE2 PHE A 31 -20.173 -1.609 -1.189 1.00 0.73 C ATOM 494 CZ PHE A 31 -21.435 -1.974 -0.762 1.00 0.83 C ATOM 0 H PHE A 31 -19.986 2.591 -0.646 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.280 2.550 2.283 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.126 0.862 1.157 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.164 0.577 2.540 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.640 -0.068 2.006 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.450 -0.407 -0.802 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.947 -1.701 0.722 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.761 -2.042 -2.088 1.00 0.73 H new ATOM 0 HZ PHE A 31 -22.010 -2.693 -1.326 1.00 0.83 H new ATOM 504 N LYS A 32 -17.632 3.231 2.378 1.00 0.68 N ATOM 505 CA LYS A 32 -16.480 4.130 2.454 1.00 0.72 C ATOM 506 C LYS A 32 -15.236 3.442 3.026 1.00 0.66 C ATOM 507 O LYS A 32 -14.275 4.109 3.408 1.00 0.74 O ATOM 508 CB LYS A 32 -16.825 5.355 3.302 1.00 0.86 C ATOM 509 CG LYS A 32 -16.012 6.589 2.947 1.00 1.38 C ATOM 510 CD LYS A 32 -15.577 7.348 4.190 1.00 1.38 C ATOM 511 CE LYS A 32 -14.066 7.488 4.256 1.00 1.50 C ATOM 512 NZ LYS A 32 -13.593 8.733 3.591 1.00 2.26 N ATOM 0 H LYS A 32 -17.698 2.560 3.143 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.246 4.435 1.434 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -17.885 5.582 3.184 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -16.666 5.115 4.353 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -15.133 6.294 2.374 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -16.604 7.244 2.308 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.036 8.337 4.193 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -15.935 6.828 5.079 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -13.747 7.490 5.298 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -13.601 6.624 3.782 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -12.557 8.790 3.658 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -13.875 8.720 2.590 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -14.017 9.559 4.059 1.00 2.26 H new ATOM 526 N ILE A 33 -15.251 2.114 3.077 1.00 0.67 N ATOM 527 CA ILE A 33 -14.113 1.354 3.596 1.00 0.66 C ATOM 528 C ILE A 33 -13.868 1.635 5.078 1.00 0.80 C ATOM 529 O ILE A 33 -14.176 0.803 5.930 1.00 1.71 O ATOM 530 CB ILE A 33 -12.827 1.657 2.799 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.046 1.375 1.312 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.660 0.835 3.330 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.514 2.580 0.526 1.00 0.91 C ATOM 0 H ILE A 33 -16.035 1.540 2.767 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.366 0.300 3.480 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.586 2.713 2.922 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.114 1.010 0.880 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.781 0.576 1.207 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.763 1.063 2.755 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.490 1.079 4.379 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.890 -0.226 3.237 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.647 2.303 -0.520 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.462 2.933 0.932 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.770 3.373 0.599 1.00 0.91 H new ATOM 545 N THR A 34 -13.313 2.807 5.378 1.00 0.72 N ATOM 546 CA THR A 34 -13.022 3.205 6.759 1.00 0.73 C ATOM 547 C THR A 34 -11.734 2.558 7.275 1.00 0.59 C ATOM 548 O THR A 34 -11.530 2.449 8.484 1.00 0.76 O ATOM 549 CB THR A 34 -14.189 2.856 7.696 1.00 0.99 C ATOM 550 OG1 THR A 34 -14.042 1.547 8.219 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.551 2.939 7.034 1.00 1.15 C ATOM 0 H THR A 34 -13.053 3.504 4.680 1.00 0.72 H new ATOM 0 HA THR A 34 -12.885 4.286 6.753 1.00 0.73 H new ATOM 0 HB THR A 34 -14.148 3.605 8.487 1.00 0.99 H new ATOM 0 HG1 THR A 34 -14.350 0.894 7.557 1.00 1.09 H new ATOM 0 HG21 THR A 34 -16.324 2.679 7.758 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.719 3.954 6.673 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.591 2.244 6.195 1.00 1.15 H new ATOM 559 N SER A 35 -10.862 2.132 6.358 1.00 0.49 N ATOM 560 CA SER A 35 -9.592 1.500 6.736 1.00 0.47 C ATOM 561 C SER A 35 -8.897 0.887 5.523 1.00 0.45 C ATOM 562 O SER A 35 -9.498 0.103 4.795 1.00 0.72 O ATOM 563 CB SER A 35 -9.822 0.415 7.792 1.00 0.64 C ATOM 564 OG SER A 35 -11.180 0.013 7.834 1.00 1.58 O ATOM 0 H SER A 35 -11.010 2.212 5.352 1.00 0.49 H new ATOM 0 HA SER A 35 -8.951 2.278 7.151 1.00 0.47 H new ATOM 0 HB2 SER A 35 -9.192 -0.447 7.573 1.00 0.64 H new ATOM 0 HB3 SER A 35 -9.521 0.788 8.771 1.00 0.64 H new ATOM 0 HG SER A 35 -11.683 0.621 8.415 1.00 1.58 H new ATOM 570 N TYR A 36 -7.631 1.249 5.306 1.00 0.27 N ATOM 571 CA TYR A 36 -6.871 0.730 4.172 1.00 0.28 C ATOM 572 C TYR A 36 -5.648 -0.074 4.621 1.00 0.33 C ATOM 573 O TYR A 36 -4.843 0.395 5.422 1.00 0.68 O ATOM 574 CB TYR A 36 -6.436 1.888 3.273 1.00 0.29 C ATOM 575 CG TYR A 36 -7.591 2.729 2.788 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.371 3.447 3.679 1.00 0.57 C ATOM 577 CD2 TYR A 36 -7.896 2.808 1.436 1.00 0.53 C ATOM 578 CE1 TYR A 36 -9.426 4.222 3.239 1.00 0.67 C ATOM 579 CE2 TYR A 36 -8.947 3.580 0.987 1.00 0.64 C ATOM 580 CZ TYR A 36 -9.722 4.274 1.899 1.00 0.60 C ATOM 581 OH TYR A 36 -10.761 5.056 1.449 1.00 0.76 O ATOM 0 H TYR A 36 -7.114 1.897 5.900 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.520 0.053 3.617 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.738 2.522 3.820 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.898 1.490 2.413 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.151 3.400 4.735 1.00 0.57 H new ATOM 0 HD2 TYR A 36 -7.300 2.256 0.724 1.00 0.53 H new ATOM 0 HE1 TYR A 36 -10.016 4.785 3.946 1.00 0.67 H new ATOM 0 HE2 TYR A 36 -9.164 3.642 -0.069 1.00 0.64 H new ATOM 0 HH TYR A 36 -10.831 4.977 0.475 1.00 0.76 H new ATOM 591 N ILE A 37 -5.509 -1.288 4.094 1.00 0.24 N ATOM 592 CA ILE A 37 -4.375 -2.148 4.438 1.00 0.26 C ATOM 593 C ILE A 37 -3.559 -2.474 3.195 1.00 0.33 C ATOM 594 O ILE A 37 -4.079 -3.046 2.239 1.00 0.70 O ATOM 595 CB ILE A 37 -4.812 -3.479 5.090 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.179 -3.344 5.768 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.764 -3.943 6.092 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.338 -3.593 4.830 1.00 1.14 C ATOM 0 H ILE A 37 -6.164 -1.699 3.429 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.778 -1.589 5.159 1.00 0.26 H new ATOM 0 HB ILE A 37 -4.903 -4.227 4.302 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -6.236 -4.047 6.599 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.270 -2.343 6.190 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.084 -4.882 6.544 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.813 -4.092 5.581 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.644 -3.188 6.869 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -8.276 -3.482 5.373 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.305 -2.874 4.012 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -7.270 -4.604 4.427 1.00 1.14 H new ATOM 610 N VAL A 38 -2.283 -2.107 3.206 1.00 0.36 N ATOM 611 CA VAL A 38 -1.415 -2.367 2.062 1.00 0.42 C ATOM 612 C VAL A 38 -0.449 -3.518 2.362 1.00 0.35 C ATOM 613 O VAL A 38 0.068 -3.636 3.474 1.00 0.48 O ATOM 614 CB VAL A 38 -0.668 -1.064 1.582 1.00 0.63 C ATOM 615 CG1 VAL A 38 -0.774 0.058 2.609 1.00 0.46 C ATOM 616 CG2 VAL A 38 0.798 -1.305 1.216 1.00 0.51 C ATOM 0 H VAL A 38 -1.829 -1.633 3.986 1.00 0.36 H new ATOM 0 HA VAL A 38 -2.044 -2.680 1.228 1.00 0.42 H new ATOM 0 HB VAL A 38 -1.180 -0.758 0.670 1.00 0.63 H new ATOM 0 HG11 VAL A 38 -0.247 0.938 2.242 1.00 0.46 H new ATOM 0 HG12 VAL A 38 -1.823 0.305 2.771 1.00 0.46 H new ATOM 0 HG13 VAL A 38 -0.328 -0.266 3.549 1.00 0.46 H new ATOM 0 HG21 VAL A 38 1.252 -0.367 0.894 1.00 0.51 H new ATOM 0 HG22 VAL A 38 1.332 -1.687 2.086 1.00 0.51 H new ATOM 0 HG23 VAL A 38 0.856 -2.033 0.406 1.00 0.51 H new ATOM 626 N GLU A 39 -0.221 -4.371 1.361 1.00 0.30 N ATOM 627 CA GLU A 39 0.670 -5.515 1.526 1.00 0.33 C ATOM 628 C GLU A 39 2.039 -5.268 0.897 1.00 0.32 C ATOM 629 O GLU A 39 2.147 -4.763 -0.223 1.00 0.43 O ATOM 630 CB GLU A 39 0.038 -6.768 0.920 1.00 0.42 C ATOM 631 CG GLU A 39 -1.465 -6.846 1.125 1.00 0.51 C ATOM 632 CD GLU A 39 -1.951 -8.264 1.342 1.00 0.92 C ATOM 633 OE1 GLU A 39 -1.867 -9.073 0.395 1.00 1.67 O ATOM 634 OE2 GLU A 39 -2.414 -8.568 2.462 1.00 1.52 O ATOM 0 H GLU A 39 -0.639 -4.290 0.434 1.00 0.30 H new ATOM 0 HA GLU A 39 0.818 -5.661 2.596 1.00 0.33 H new ATOM 0 HB2 GLU A 39 0.253 -6.794 -0.148 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.503 -7.650 1.360 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.743 -6.235 1.984 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -1.969 -6.422 0.256 1.00 0.51 H new ATOM 641 N LYS A 40 3.080 -5.637 1.639 1.00 0.28 N ATOM 642 CA LYS A 40 4.462 -5.479 1.192 1.00 0.31 C ATOM 643 C LYS A 40 5.034 -6.794 0.688 1.00 0.29 C ATOM 644 O LYS A 40 4.829 -7.840 1.299 1.00 0.35 O ATOM 645 CB LYS A 40 5.351 -5.030 2.347 1.00 0.43 C ATOM 646 CG LYS A 40 5.149 -3.609 2.813 1.00 0.92 C ATOM 647 CD LYS A 40 6.484 -2.878 2.877 1.00 1.14 C ATOM 648 CE LYS A 40 7.107 -2.967 4.261 1.00 1.65 C ATOM 649 NZ LYS A 40 6.921 -4.312 4.868 1.00 1.97 N ATOM 0 H LYS A 40 2.990 -6.053 2.566 1.00 0.28 H new ATOM 0 HA LYS A 40 4.447 -4.738 0.393 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.183 -5.698 3.192 1.00 0.43 H new ATOM 0 HB3 LYS A 40 6.392 -5.151 2.048 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.474 -3.089 2.133 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.677 -3.605 3.796 1.00 0.92 H new ATOM 0 HD2 LYS A 40 7.167 -3.303 2.142 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.339 -1.831 2.610 1.00 1.14 H new ATOM 0 HE2 LYS A 40 8.172 -2.743 4.195 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.662 -2.212 4.909 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.538 -4.406 5.700 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 5.929 -4.428 5.157 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.166 -5.044 4.171 1.00 1.97 H new ATOM 663 N ARG A 41 5.786 -6.743 -0.399 1.00 0.36 N ATOM 664 CA ARG A 41 6.409 -7.944 -0.924 1.00 0.40 C ATOM 665 C ARG A 41 7.874 -7.673 -1.233 1.00 0.41 C ATOM 666 O ARG A 41 8.210 -6.842 -2.080 1.00 0.43 O ATOM 667 CB ARG A 41 5.632 -8.505 -2.126 1.00 0.46 C ATOM 668 CG ARG A 41 6.018 -7.977 -3.492 1.00 0.58 C ATOM 669 CD ARG A 41 5.548 -8.938 -4.578 1.00 0.88 C ATOM 670 NE ARG A 41 5.267 -8.272 -5.842 1.00 0.95 N ATOM 671 CZ ARG A 41 4.779 -8.904 -6.905 1.00 1.13 C ATOM 672 NH1 ARG A 41 4.532 -10.206 -6.848 1.00 1.44 N ATOM 673 NH2 ARG A 41 4.528 -8.234 -8.017 1.00 1.44 N ATOM 0 H ARG A 41 5.978 -5.893 -0.929 1.00 0.36 H new ATOM 0 HA ARG A 41 6.375 -8.725 -0.164 1.00 0.40 H new ATOM 0 HB2 ARG A 41 5.753 -9.588 -2.133 1.00 0.46 H new ATOM 0 HB3 ARG A 41 4.572 -8.303 -1.970 1.00 0.46 H new ATOM 0 HG2 ARG A 41 5.574 -6.994 -3.649 1.00 0.58 H new ATOM 0 HG3 ARG A 41 7.099 -7.852 -3.550 1.00 0.58 H new ATOM 0 HD2 ARG A 41 6.311 -9.700 -4.737 1.00 0.88 H new ATOM 0 HD3 ARG A 41 4.650 -9.452 -4.237 1.00 0.88 H new ATOM 0 HE ARG A 41 5.454 -7.272 -5.915 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.716 -10.723 -5.988 1.00 1.44 H new ATOM 0 HH12 ARG A 41 4.158 -10.690 -7.664 1.00 1.44 H new ATOM 0 HH21 ARG A 41 4.709 -7.231 -8.060 1.00 1.44 H new ATOM 0 HH22 ARG A 41 4.154 -8.720 -8.832 1.00 1.44 H new ATOM 687 N ASP A 42 8.743 -8.366 -0.502 1.00 0.50 N ATOM 688 CA ASP A 42 10.181 -8.205 -0.657 1.00 0.57 C ATOM 689 C ASP A 42 10.674 -8.895 -1.914 1.00 0.62 C ATOM 690 O ASP A 42 10.644 -10.121 -2.016 1.00 0.91 O ATOM 691 CB ASP A 42 10.914 -8.775 0.558 1.00 0.71 C ATOM 692 CG ASP A 42 10.197 -9.967 1.159 1.00 0.93 C ATOM 693 OD1 ASP A 42 9.135 -10.351 0.627 1.00 1.59 O ATOM 694 OD2 ASP A 42 10.698 -10.517 2.162 1.00 1.49 O ATOM 0 H ASP A 42 8.472 -9.048 0.207 1.00 0.50 H new ATOM 0 HA ASP A 42 10.390 -7.138 -0.739 1.00 0.57 H new ATOM 0 HB2 ASP A 42 11.922 -9.070 0.265 1.00 0.71 H new ATOM 0 HB3 ASP A 42 11.017 -7.997 1.315 1.00 0.71 H new ATOM 699 N LEU A 43 11.133 -8.103 -2.866 1.00 0.63 N ATOM 700 CA LEU A 43 11.640 -8.641 -4.120 1.00 0.68 C ATOM 701 C LEU A 43 13.008 -9.292 -3.907 1.00 0.81 C ATOM 702 O LEU A 43 13.673 -9.025 -2.907 1.00 0.90 O ATOM 703 CB LEU A 43 11.720 -7.527 -5.164 1.00 0.62 C ATOM 704 CG LEU A 43 10.373 -7.099 -5.759 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.516 -8.311 -6.083 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.632 -6.180 -4.802 1.00 0.80 C ATOM 0 H LEU A 43 11.166 -7.086 -2.797 1.00 0.63 H new ATOM 0 HA LEU A 43 10.957 -9.409 -4.483 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.192 -6.656 -4.709 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.370 -7.855 -5.975 1.00 0.62 H new ATOM 0 HG LEU A 43 10.572 -6.557 -6.683 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.566 -7.983 -6.504 1.00 0.70 H new ATOM 0 HD12 LEU A 43 10.035 -8.941 -6.806 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.332 -8.881 -5.172 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.679 -5.888 -5.243 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.452 -6.702 -3.862 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.233 -5.290 -4.614 1.00 0.80 H new ATOM 718 N PRO A 44 13.453 -10.167 -4.833 1.00 0.92 N ATOM 719 CA PRO A 44 12.710 -10.530 -6.049 1.00 0.99 C ATOM 720 C PRO A 44 11.673 -11.630 -5.822 1.00 1.15 C ATOM 721 O PRO A 44 11.169 -12.219 -6.778 1.00 1.43 O ATOM 722 CB PRO A 44 13.819 -11.027 -6.971 1.00 1.15 C ATOM 723 CG PRO A 44 14.805 -11.659 -6.048 1.00 1.25 C ATOM 724 CD PRO A 44 14.750 -10.870 -4.763 1.00 1.08 C ATOM 0 HA PRO A 44 12.130 -9.693 -6.438 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.440 -11.743 -7.700 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.267 -10.207 -7.533 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.557 -12.706 -5.872 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.807 -11.636 -6.475 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.804 -11.522 -3.891 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.581 -10.169 -4.689 1.00 1.08 H new ATOM 732 N ASN A 45 11.348 -11.902 -4.561 1.00 1.14 N ATOM 733 CA ASN A 45 10.358 -12.933 -4.242 1.00 1.33 C ATOM 734 C ASN A 45 9.006 -12.289 -3.975 1.00 1.43 C ATOM 735 O ASN A 45 8.121 -12.299 -4.831 1.00 2.42 O ATOM 736 CB ASN A 45 10.777 -13.782 -3.025 1.00 1.66 C ATOM 737 CG ASN A 45 12.076 -13.333 -2.379 1.00 1.93 C ATOM 738 OD1 ASN A 45 12.118 -13.031 -1.186 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.142 -13.290 -3.168 1.00 1.89 N ATOM 0 H ASN A 45 11.749 -11.431 -3.750 1.00 1.14 H new ATOM 0 HA ASN A 45 10.290 -13.598 -5.103 1.00 1.33 H new ATOM 0 HB2 ASN A 45 9.982 -13.749 -2.280 1.00 1.66 H new ATOM 0 HB3 ASN A 45 10.878 -14.821 -3.337 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.044 -12.998 -2.791 1.00 1.89 H new ATOM 0 HD22 ASN A 45 13.060 -13.549 -4.151 1.00 1.89 H new ATOM 746 N GLY A 46 8.856 -11.723 -2.786 1.00 0.90 N ATOM 747 CA GLY A 46 7.614 -11.072 -2.431 1.00 1.12 C ATOM 748 C GLY A 46 6.639 -11.991 -1.726 1.00 0.76 C ATOM 749 O GLY A 46 6.373 -13.101 -2.185 1.00 0.96 O ATOM 0 H GLY A 46 9.573 -11.704 -2.061 1.00 0.90 H new ATOM 0 HA2 GLY A 46 7.829 -10.219 -1.787 1.00 1.12 H new ATOM 0 HA3 GLY A 46 7.146 -10.680 -3.334 1.00 1.12 H new ATOM 753 N ARG A 47 6.103 -11.522 -0.605 1.00 0.80 N ATOM 754 CA ARG A 47 5.143 -12.300 0.175 1.00 0.76 C ATOM 755 C ARG A 47 3.906 -11.470 0.540 1.00 0.85 C ATOM 756 O ARG A 47 3.007 -11.958 1.225 1.00 1.71 O ATOM 757 CB ARG A 47 5.792 -12.852 1.454 1.00 0.99 C ATOM 758 CG ARG A 47 7.062 -12.126 1.883 1.00 1.31 C ATOM 759 CD ARG A 47 7.132 -11.966 3.393 1.00 1.11 C ATOM 760 NE ARG A 47 8.509 -11.990 3.884 1.00 1.41 N ATOM 761 CZ ARG A 47 8.850 -11.702 5.136 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.920 -11.370 6.020 1.00 2.41 N ATOM 763 NH2 ARG A 47 10.125 -11.748 5.504 1.00 2.03 N ATOM 0 H ARG A 47 6.317 -10.605 -0.214 1.00 0.80 H new ATOM 0 HA ARG A 47 4.825 -13.134 -0.451 1.00 0.76 H new ATOM 0 HB2 ARG A 47 5.067 -12.799 2.266 1.00 0.99 H new ATOM 0 HB3 ARG A 47 6.025 -13.906 1.302 1.00 0.99 H new ATOM 0 HG2 ARG A 47 7.934 -12.680 1.534 1.00 1.31 H new ATOM 0 HG3 ARG A 47 7.098 -11.144 1.410 1.00 1.31 H new ATOM 0 HD2 ARG A 47 6.661 -11.026 3.680 1.00 1.11 H new ATOM 0 HD3 ARG A 47 6.564 -12.765 3.869 1.00 1.11 H new ATOM 0 HE ARG A 47 9.249 -12.242 3.229 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.940 -11.335 5.740 1.00 2.41 H new ATOM 0 HH12 ARG A 47 8.185 -11.150 6.980 1.00 2.41 H new ATOM 0 HH21 ARG A 47 10.843 -12.004 4.826 1.00 2.03 H new ATOM 0 HH22 ARG A 47 10.387 -11.527 6.465 1.00 2.03 H new ATOM 777 N TRP A 48 3.864 -10.216 0.083 1.00 0.50 N ATOM 778 CA TRP A 48 2.742 -9.322 0.363 1.00 0.43 C ATOM 779 C TRP A 48 2.323 -9.410 1.833 1.00 0.45 C ATOM 780 O TRP A 48 1.539 -10.283 2.204 1.00 0.65 O ATOM 781 CB TRP A 48 1.550 -9.670 -0.527 1.00 0.47 C ATOM 782 CG TRP A 48 1.812 -9.467 -1.989 1.00 0.45 C ATOM 783 CD1 TRP A 48 1.670 -10.396 -2.977 1.00 0.52 C ATOM 784 CD2 TRP A 48 2.262 -8.264 -2.633 1.00 0.39 C ATOM 785 NE1 TRP A 48 2.003 -9.849 -4.190 1.00 0.50 N ATOM 786 CE2 TRP A 48 2.367 -8.546 -4.005 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.586 -6.977 -2.190 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.777 -7.598 -4.931 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.999 -6.037 -3.114 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.088 -6.355 -4.472 1.00 0.38 C ATOM 0 H TRP A 48 4.600 -9.797 -0.486 1.00 0.50 H new ATOM 0 HA TRP A 48 3.067 -8.303 0.152 1.00 0.43 H new ATOM 0 HB2 TRP A 48 1.272 -10.710 -0.357 1.00 0.47 H new ATOM 0 HB3 TRP A 48 0.696 -9.060 -0.231 1.00 0.47 H new ATOM 0 HD1 TRP A 48 1.343 -11.414 -2.826 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.982 -10.337 -5.086 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.514 -6.723 -1.143 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.847 -7.838 -5.982 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.257 -5.042 -2.782 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.410 -5.598 -5.172 1.00 0.38 H new ATOM 801 N LEU A 49 2.848 -8.516 2.670 1.00 0.38 N ATOM 802 CA LEU A 49 2.515 -8.525 4.090 1.00 0.42 C ATOM 803 C LEU A 49 1.950 -7.183 4.543 1.00 0.36 C ATOM 804 O LEU A 49 2.474 -6.125 4.194 1.00 0.39 O ATOM 805 CB LEU A 49 3.753 -8.877 4.920 1.00 0.52 C ATOM 806 CG LEU A 49 3.675 -10.212 5.662 1.00 0.67 C ATOM 807 CD1 LEU A 49 3.592 -11.368 4.677 1.00 0.84 C ATOM 808 CD2 LEU A 49 4.871 -10.380 6.583 1.00 1.28 C ATOM 0 H LEU A 49 3.500 -7.783 2.391 1.00 0.38 H new ATOM 0 HA LEU A 49 1.746 -9.282 4.245 1.00 0.42 H new ATOM 0 HB2 LEU A 49 4.621 -8.895 4.261 1.00 0.52 H new ATOM 0 HB3 LEU A 49 3.922 -8.083 5.648 1.00 0.52 H new ATOM 0 HG LEU A 49 2.770 -10.215 6.270 1.00 0.67 H new ATOM 0 HD11 LEU A 49 3.537 -12.309 5.224 1.00 0.84 H new ATOM 0 HD12 LEU A 49 2.702 -11.256 4.058 1.00 0.84 H new ATOM 0 HD13 LEU A 49 4.478 -11.369 4.042 1.00 0.84 H new ATOM 0 HD21 LEU A 49 4.799 -11.335 7.103 1.00 1.28 H new ATOM 0 HD22 LEU A 49 5.789 -10.355 5.996 1.00 1.28 H new ATOM 0 HD23 LEU A 49 4.885 -9.570 7.313 1.00 1.28 H new ATOM 820 N LYS A 50 0.877 -7.238 5.326 1.00 0.40 N ATOM 821 CA LYS A 50 0.237 -6.032 5.835 1.00 0.40 C ATOM 822 C LYS A 50 1.190 -5.258 6.740 1.00 0.47 C ATOM 823 O LYS A 50 1.136 -5.379 7.964 1.00 0.85 O ATOM 824 CB LYS A 50 -1.036 -6.391 6.605 1.00 0.59 C ATOM 825 CG LYS A 50 -1.834 -7.515 5.965 1.00 0.72 C ATOM 826 CD LYS A 50 -3.323 -7.361 6.229 1.00 1.03 C ATOM 827 CE LYS A 50 -3.620 -7.270 7.717 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.974 -7.791 8.046 1.00 1.30 N ATOM 0 H LYS A 50 0.432 -8.107 5.622 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.027 -5.402 4.986 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -0.767 -6.680 7.621 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -1.667 -5.506 6.681 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.653 -7.525 4.890 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.491 -8.474 6.355 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.691 -6.466 5.728 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.859 -8.209 5.801 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -2.870 -7.833 8.272 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -3.542 -6.232 8.040 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.137 -7.711 9.070 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -5.692 -7.237 7.537 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -5.040 -8.789 7.762 1.00 1.30 H new ATOM 842 N ALA A 51 2.061 -4.464 6.128 1.00 0.45 N ATOM 843 CA ALA A 51 3.030 -3.670 6.873 1.00 0.63 C ATOM 844 C ALA A 51 2.358 -2.898 8.006 1.00 0.55 C ATOM 845 O ALA A 51 2.764 -2.997 9.164 1.00 0.72 O ATOM 846 CB ALA A 51 3.752 -2.712 5.937 1.00 0.86 C ATOM 0 H ALA A 51 2.116 -4.353 5.116 1.00 0.45 H new ATOM 0 HA ALA A 51 3.757 -4.351 7.316 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.473 -2.124 6.504 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.273 -3.280 5.166 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.028 -2.045 5.469 1.00 0.86 H new ATOM 852 N ASN A 52 1.329 -2.131 7.665 1.00 0.42 N ATOM 853 CA ASN A 52 0.604 -1.341 8.653 1.00 0.43 C ATOM 854 C ASN A 52 -0.014 -2.236 9.725 1.00 0.59 C ATOM 855 O ASN A 52 -0.561 -3.297 9.422 1.00 1.60 O ATOM 856 CB ASN A 52 -0.481 -0.498 7.972 1.00 0.38 C ATOM 857 CG ASN A 52 -1.692 -1.312 7.555 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.656 -2.037 6.561 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.774 -1.192 8.316 1.00 0.62 N ATOM 0 H ASN A 52 0.978 -2.039 6.712 1.00 0.42 H new ATOM 0 HA ASN A 52 1.315 -0.672 9.138 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.799 0.293 8.652 1.00 0.38 H new ATOM 0 HB3 ASN A 52 -0.057 -0.012 7.093 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.620 -1.713 8.085 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.759 -0.579 9.131 1.00 0.62 H new ATOM 866 N PHE A 53 0.074 -1.799 10.977 1.00 0.81 N ATOM 867 CA PHE A 53 -0.481 -2.560 12.089 1.00 0.82 C ATOM 868 C PHE A 53 -1.217 -1.646 13.065 1.00 0.84 C ATOM 869 O PHE A 53 -1.386 -1.983 14.236 1.00 1.20 O ATOM 870 CB PHE A 53 0.627 -3.316 12.823 1.00 0.96 C ATOM 871 CG PHE A 53 0.176 -4.635 13.379 1.00 1.15 C ATOM 872 CD1 PHE A 53 -0.550 -5.522 12.602 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.483 -4.987 14.683 1.00 1.68 C ATOM 874 CE1 PHE A 53 -0.963 -6.736 13.114 1.00 1.66 C ATOM 875 CE2 PHE A 53 0.074 -6.200 15.202 1.00 2.08 C ATOM 876 CZ PHE A 53 -0.666 -7.076 14.403 1.00 1.96 C ATOM 0 H PHE A 53 0.523 -0.924 11.246 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.194 -3.277 11.681 1.00 0.82 H new ATOM 0 HB2 PHE A 53 1.459 -3.483 12.139 1.00 0.96 H new ATOM 0 HB3 PHE A 53 1.003 -2.696 13.637 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -0.796 -5.261 11.583 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.049 -4.305 15.301 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -1.523 -7.419 12.493 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.324 -6.469 16.217 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.003 -8.021 14.804 1.00 1.96 H new ATOM 886 N SER A 54 -1.653 -0.489 12.575 1.00 0.79 N ATOM 887 CA SER A 54 -2.369 0.469 13.407 1.00 0.89 C ATOM 888 C SER A 54 -3.758 0.744 12.840 1.00 0.95 C ATOM 889 O SER A 54 -4.744 0.145 13.269 1.00 1.89 O ATOM 890 CB SER A 54 -1.580 1.776 13.515 1.00 1.00 C ATOM 891 OG SER A 54 -2.364 2.801 14.099 1.00 1.71 O ATOM 0 H SER A 54 -1.523 -0.194 11.607 1.00 0.79 H new ATOM 0 HA SER A 54 -2.479 0.039 14.403 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.684 1.614 14.114 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.249 2.087 12.524 1.00 1.00 H new ATOM 0 HG SER A 54 -1.835 3.624 14.158 1.00 1.71 H new ATOM 897 N ASN A 55 -3.829 1.654 11.873 1.00 0.75 N ATOM 898 CA ASN A 55 -5.096 2.007 11.247 1.00 0.69 C ATOM 899 C ASN A 55 -4.899 3.098 10.200 1.00 0.66 C ATOM 900 O ASN A 55 -4.429 4.193 10.510 1.00 1.05 O ATOM 901 CB ASN A 55 -6.101 2.471 12.304 1.00 0.84 C ATOM 902 CG ASN A 55 -7.483 1.887 12.086 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.071 1.299 12.993 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.010 2.046 10.877 1.00 0.83 N ATOM 0 H ASN A 55 -3.023 2.160 11.507 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.488 1.119 10.751 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.741 2.186 13.293 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.163 3.559 12.289 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -8.937 1.674 10.672 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.487 2.540 10.154 1.00 0.83 H new ATOM 911 N ILE A 56 -5.260 2.789 8.960 1.00 0.40 N ATOM 912 CA ILE A 56 -5.124 3.739 7.862 1.00 0.33 C ATOM 913 C ILE A 56 -6.485 4.280 7.436 1.00 0.31 C ATOM 914 O ILE A 56 -7.216 3.629 6.691 1.00 0.53 O ATOM 915 CB ILE A 56 -4.438 3.086 6.647 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.133 2.404 7.083 1.00 0.43 C ATOM 917 CG2 ILE A 56 -4.189 4.119 5.557 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.282 1.895 5.936 1.00 0.69 C ATOM 0 H ILE A 56 -5.650 1.886 8.689 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.507 4.562 8.222 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.097 2.322 6.233 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -2.546 3.110 7.670 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -3.375 1.568 7.739 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.704 3.641 4.706 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -5.139 4.548 5.239 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.546 4.909 5.944 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.380 1.428 6.332 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -2.848 1.162 5.361 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.006 2.728 5.290 1.00 0.69 H new ATOM 930 N LEU A 57 -6.821 5.474 7.916 1.00 0.44 N ATOM 931 CA LEU A 57 -8.097 6.098 7.584 1.00 0.45 C ATOM 932 C LEU A 57 -8.073 6.680 6.174 1.00 0.42 C ATOM 933 O LEU A 57 -8.758 6.186 5.278 1.00 0.60 O ATOM 934 CB LEU A 57 -8.433 7.197 8.596 1.00 0.48 C ATOM 935 CG LEU A 57 -9.897 7.641 8.609 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.185 8.559 7.430 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.823 6.433 8.587 1.00 0.72 C ATOM 0 H LEU A 57 -6.228 6.027 8.535 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.867 5.328 7.625 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.167 6.845 9.593 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.808 8.065 8.387 1.00 0.48 H new ATOM 0 HG LEU A 57 -10.081 8.195 9.529 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.231 8.865 7.454 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -9.547 9.441 7.491 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -9.984 8.029 6.499 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.860 6.769 8.597 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -10.639 5.850 7.685 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.634 5.814 9.464 1.00 0.72 H new ATOM 949 N GLU A 58 -7.282 7.730 5.982 1.00 0.39 N ATOM 950 CA GLU A 58 -7.172 8.373 4.679 1.00 0.43 C ATOM 951 C GLU A 58 -6.337 7.524 3.730 1.00 0.51 C ATOM 952 O GLU A 58 -5.870 6.444 4.095 1.00 1.09 O ATOM 953 CB GLU A 58 -6.549 9.763 4.821 1.00 0.44 C ATOM 954 CG GLU A 58 -5.252 9.771 5.614 1.00 0.44 C ATOM 955 CD GLU A 58 -5.463 10.125 7.073 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.398 9.572 7.689 1.00 1.29 O ATOM 957 OE2 GLU A 58 -4.693 10.956 7.600 1.00 1.54 O ATOM 0 H GLU A 58 -6.708 8.153 6.712 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.175 8.476 4.264 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.360 10.170 3.828 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.266 10.425 5.306 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.783 8.789 5.546 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.561 10.486 5.167 1.00 0.44 H new ATOM 964 N ASN A 59 -6.151 8.018 2.513 1.00 0.31 N ATOM 965 CA ASN A 59 -5.368 7.301 1.514 1.00 0.28 C ATOM 966 C ASN A 59 -3.878 7.630 1.628 1.00 0.28 C ATOM 967 O ASN A 59 -3.057 7.072 0.901 1.00 0.49 O ATOM 968 CB ASN A 59 -5.868 7.639 0.107 1.00 0.32 C ATOM 969 CG ASN A 59 -7.379 7.743 0.038 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.081 7.379 0.980 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.888 8.241 -1.083 1.00 0.91 N ATOM 0 H ASN A 59 -6.530 8.910 2.194 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.495 6.234 1.697 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.427 8.582 -0.215 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.527 6.873 -0.590 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -8.898 8.334 -1.187 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.269 8.531 -1.840 1.00 0.91 H new ATOM 978 N GLU A 60 -3.529 8.534 2.544 1.00 0.29 N ATOM 979 CA GLU A 60 -2.139 8.923 2.741 1.00 0.29 C ATOM 980 C GLU A 60 -1.538 8.150 3.903 1.00 0.27 C ATOM 981 O GLU A 60 -1.785 8.469 5.066 1.00 0.35 O ATOM 982 CB GLU A 60 -2.041 10.426 3.010 1.00 0.34 C ATOM 983 CG GLU A 60 -0.625 10.971 2.918 1.00 0.49 C ATOM 984 CD GLU A 60 0.004 10.729 1.561 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.242 11.536 0.641 1.00 1.91 O ATOM 986 OE2 GLU A 60 0.744 9.733 1.418 1.00 2.05 O ATOM 0 H GLU A 60 -4.191 9.008 3.159 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.582 8.690 1.834 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.672 10.956 2.297 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.438 10.635 4.003 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.637 12.041 3.123 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.010 10.506 3.688 1.00 0.49 H new ATOM 993 N PHE A 61 -0.755 7.129 3.589 1.00 0.24 N ATOM 994 CA PHE A 61 -0.135 6.315 4.625 1.00 0.24 C ATOM 995 C PHE A 61 1.331 6.029 4.312 1.00 0.24 C ATOM 996 O PHE A 61 1.791 6.229 3.188 1.00 0.25 O ATOM 997 CB PHE A 61 -0.917 5.007 4.793 1.00 0.28 C ATOM 998 CG PHE A 61 -0.208 3.977 5.625 1.00 0.33 C ATOM 999 CD1 PHE A 61 -0.372 3.951 6.999 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.613 3.032 5.033 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.269 3.004 7.769 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.260 2.079 5.798 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.119 2.079 7.158 1.00 0.48 C ATOM 0 H PHE A 61 -0.535 6.846 2.634 1.00 0.24 H new ATOM 0 HA PHE A 61 -0.164 6.873 5.561 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.882 5.228 5.250 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -1.120 4.587 3.808 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -1.010 4.682 7.474 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.750 3.039 3.962 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.115 2.977 8.838 1.00 0.48 H new ATOM 0 HE2 PHE A 61 1.878 1.333 5.320 1.00 0.44 H new ATOM 0 HZ PHE A 61 1.664 1.365 7.759 1.00 0.48 H new ATOM 1013 N THR A 62 2.057 5.558 5.323 1.00 0.25 N ATOM 1014 CA THR A 62 3.466 5.240 5.173 1.00 0.27 C ATOM 1015 C THR A 62 3.740 3.786 5.525 1.00 0.29 C ATOM 1016 O THR A 62 3.479 3.346 6.645 1.00 0.35 O ATOM 1017 CB THR A 62 4.316 6.155 6.053 1.00 0.33 C ATOM 1018 OG1 THR A 62 3.868 7.496 5.966 1.00 0.42 O ATOM 1019 CG2 THR A 62 5.786 6.137 5.693 1.00 0.37 C ATOM 0 H THR A 62 1.686 5.389 6.258 1.00 0.25 H new ATOM 0 HA THR A 62 3.734 5.398 4.128 1.00 0.27 H new ATOM 0 HB THR A 62 4.202 5.767 7.065 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.377 7.967 5.274 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.331 6.808 6.356 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.175 5.125 5.802 1.00 0.37 H new ATOM 0 HG23 THR A 62 5.912 6.465 4.661 1.00 0.37 H new ATOM 1027 N VAL A 63 4.271 3.045 4.562 1.00 0.31 N ATOM 1028 CA VAL A 63 4.586 1.640 4.770 1.00 0.36 C ATOM 1029 C VAL A 63 5.967 1.475 5.388 1.00 0.38 C ATOM 1030 O VAL A 63 6.983 1.759 4.753 1.00 0.50 O ATOM 1031 CB VAL A 63 4.526 0.848 3.450 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.490 -0.646 3.725 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.322 1.277 2.630 1.00 0.58 C ATOM 0 H VAL A 63 4.492 3.394 3.630 1.00 0.31 H new ATOM 0 HA VAL A 63 3.835 1.245 5.454 1.00 0.36 H new ATOM 0 HB VAL A 63 5.426 1.064 2.874 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.448 -1.189 2.781 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.387 -0.937 4.271 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.609 -0.885 4.321 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.294 0.708 1.700 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.410 1.091 3.197 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.397 2.340 2.403 1.00 0.58 H new ATOM 1043 N SER A 64 5.995 1.016 6.634 1.00 0.49 N ATOM 1044 CA SER A 64 7.251 0.813 7.345 1.00 0.55 C ATOM 1045 C SER A 64 7.551 -0.673 7.508 1.00 0.63 C ATOM 1046 O SER A 64 6.846 -1.522 6.963 1.00 0.99 O ATOM 1047 CB SER A 64 7.200 1.489 8.716 1.00 0.63 C ATOM 1048 OG SER A 64 5.938 2.094 8.941 1.00 1.33 O ATOM 0 H SER A 64 5.162 0.778 7.172 1.00 0.49 H new ATOM 0 HA SER A 64 8.050 1.263 6.755 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.398 0.753 9.495 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.985 2.242 8.783 1.00 0.63 H new ATOM 0 HG SER A 64 5.931 2.517 9.825 1.00 1.33 H new ATOM 1054 N GLY A 65 8.603 -0.979 8.261 1.00 0.71 N ATOM 1055 CA GLY A 65 8.979 -2.362 8.482 1.00 0.78 C ATOM 1056 C GLY A 65 9.913 -2.898 7.410 1.00 0.72 C ATOM 1057 O GLY A 65 10.182 -4.098 7.359 1.00 0.90 O ATOM 0 H GLY A 65 9.201 -0.293 8.722 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.462 -2.451 9.455 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.080 -2.977 8.514 1.00 0.78 H new ATOM 1061 N LEU A 66 10.411 -2.010 6.551 1.00 0.64 N ATOM 1062 CA LEU A 66 11.318 -2.410 5.483 1.00 0.65 C ATOM 1063 C LEU A 66 12.597 -3.013 6.055 1.00 0.59 C ATOM 1064 O LEU A 66 12.733 -3.160 7.269 1.00 0.65 O ATOM 1065 CB LEU A 66 11.651 -1.211 4.595 1.00 0.74 C ATOM 1066 CG LEU A 66 10.483 -0.686 3.759 1.00 0.89 C ATOM 1067 CD1 LEU A 66 10.374 0.824 3.889 1.00 0.89 C ATOM 1068 CD2 LEU A 66 10.647 -1.090 2.302 1.00 1.47 C ATOM 0 H LEU A 66 10.201 -1.012 6.576 1.00 0.64 H new ATOM 0 HA LEU A 66 10.821 -3.170 4.880 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.021 -0.402 5.225 1.00 0.74 H new ATOM 0 HB3 LEU A 66 12.464 -1.489 3.924 1.00 0.74 H new ATOM 0 HG LEU A 66 9.561 -1.130 4.135 1.00 0.89 H new ATOM 0 HD11 LEU A 66 9.538 1.182 3.288 1.00 0.89 H new ATOM 0 HD12 LEU A 66 10.209 1.088 4.934 1.00 0.89 H new ATOM 0 HD13 LEU A 66 11.297 1.287 3.539 1.00 0.89 H new ATOM 0 HD21 LEU A 66 9.807 -0.708 1.722 1.00 1.47 H new ATOM 0 HD22 LEU A 66 11.576 -0.675 1.912 1.00 1.47 H new ATOM 0 HD23 LEU A 66 10.675 -2.177 2.227 1.00 1.47 H new ATOM 1080 N THR A 67 13.529 -3.364 5.177 1.00 0.65 N ATOM 1081 CA THR A 67 14.790 -3.956 5.607 1.00 0.69 C ATOM 1082 C THR A 67 15.981 -3.406 4.818 1.00 0.72 C ATOM 1083 O THR A 67 17.087 -3.939 4.909 1.00 1.06 O ATOM 1084 CB THR A 67 14.721 -5.479 5.469 1.00 0.75 C ATOM 1085 OG1 THR A 67 15.710 -6.100 6.271 1.00 0.96 O ATOM 1086 CG2 THR A 67 14.902 -5.978 4.049 1.00 0.99 C ATOM 0 H THR A 67 13.436 -3.250 4.168 1.00 0.65 H new ATOM 0 HA THR A 67 14.943 -3.689 6.653 1.00 0.69 H new ATOM 0 HB THR A 67 13.716 -5.744 5.796 1.00 0.75 H new ATOM 0 HG1 THR A 67 16.567 -5.641 6.147 1.00 0.96 H new ATOM 0 HG21 THR A 67 14.840 -7.066 4.035 1.00 0.99 H new ATOM 0 HG22 THR A 67 14.119 -5.562 3.415 1.00 0.99 H new ATOM 0 HG23 THR A 67 15.877 -5.665 3.675 1.00 0.99 H new ATOM 1094 N GLU A 68 15.757 -2.339 4.055 1.00 0.66 N ATOM 1095 CA GLU A 68 16.820 -1.730 3.271 1.00 0.67 C ATOM 1096 C GLU A 68 17.461 -2.743 2.317 1.00 0.60 C ATOM 1097 O GLU A 68 17.358 -3.954 2.515 1.00 0.69 O ATOM 1098 CB GLU A 68 17.868 -1.155 4.218 1.00 0.76 C ATOM 1099 CG GLU A 68 18.573 0.083 3.691 1.00 0.96 C ATOM 1100 CD GLU A 68 20.083 -0.026 3.778 1.00 1.32 C ATOM 1101 OE1 GLU A 68 20.623 -1.097 3.431 1.00 1.89 O ATOM 1102 OE2 GLU A 68 20.725 0.961 4.195 1.00 1.91 O ATOM 0 H GLU A 68 14.850 -1.881 3.965 1.00 0.66 H new ATOM 0 HA GLU A 68 16.395 -0.933 2.661 1.00 0.67 H new ATOM 0 HB2 GLU A 68 17.389 -0.910 5.166 1.00 0.76 H new ATOM 0 HB3 GLU A 68 18.613 -1.923 4.426 1.00 0.76 H new ATOM 0 HG2 GLU A 68 18.283 0.248 2.653 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.242 0.954 4.257 1.00 0.96 H new ATOM 1109 N ASP A 69 18.120 -2.234 1.280 1.00 0.52 N ATOM 1110 CA ASP A 69 18.781 -3.078 0.287 1.00 0.49 C ATOM 1111 C ASP A 69 17.880 -4.227 -0.154 1.00 0.44 C ATOM 1112 O ASP A 69 18.171 -5.393 0.112 1.00 0.54 O ATOM 1113 CB ASP A 69 20.093 -3.628 0.848 1.00 0.59 C ATOM 1114 CG ASP A 69 21.139 -2.548 1.042 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.061 -1.515 0.344 1.00 1.66 O ATOM 1116 OD2 ASP A 69 22.035 -2.734 1.892 1.00 1.87 O ATOM 0 H ASP A 69 18.211 -1.233 1.104 1.00 0.52 H new ATOM 0 HA ASP A 69 18.994 -2.461 -0.586 1.00 0.49 H new ATOM 0 HB2 ASP A 69 19.899 -4.118 1.802 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.483 -4.389 0.172 1.00 0.59 H new ATOM 1121 N ALA A 70 16.789 -3.891 -0.830 1.00 0.40 N ATOM 1122 CA ALA A 70 15.848 -4.897 -1.309 1.00 0.40 C ATOM 1123 C ALA A 70 14.626 -4.247 -1.937 1.00 0.35 C ATOM 1124 O ALA A 70 13.908 -3.506 -1.281 1.00 0.36 O ATOM 1125 CB ALA A 70 15.421 -5.805 -0.165 1.00 0.49 C ATOM 0 H ALA A 70 16.533 -2.931 -1.059 1.00 0.40 H new ATOM 0 HA ALA A 70 16.350 -5.492 -2.072 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.719 -6.552 -0.536 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.297 -6.305 0.249 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.941 -5.210 0.612 1.00 0.49 H new ATOM 1131 N ALA A 71 14.381 -4.524 -3.209 1.00 0.33 N ATOM 1132 CA ALA A 71 13.228 -3.942 -3.875 1.00 0.30 C ATOM 1133 C ALA A 71 11.945 -4.357 -3.168 1.00 0.27 C ATOM 1134 O ALA A 71 11.756 -5.527 -2.838 1.00 0.36 O ATOM 1135 CB ALA A 71 13.200 -4.326 -5.345 1.00 0.34 C ATOM 0 H ALA A 71 14.953 -5.136 -3.791 1.00 0.33 H new ATOM 0 HA ALA A 71 13.307 -2.856 -3.823 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.328 -3.878 -5.821 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.105 -3.965 -5.833 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.147 -5.411 -5.437 1.00 0.34 H new ATOM 1141 N TYR A 72 11.075 -3.383 -2.915 1.00 0.24 N ATOM 1142 CA TYR A 72 9.823 -3.646 -2.218 1.00 0.24 C ATOM 1143 C TYR A 72 8.608 -3.061 -2.933 1.00 0.21 C ATOM 1144 O TYR A 72 8.516 -1.847 -3.120 1.00 0.23 O ATOM 1145 CB TYR A 72 9.884 -3.031 -0.829 1.00 0.30 C ATOM 1146 CG TYR A 72 10.548 -3.879 0.217 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.859 -4.907 0.843 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.870 -3.662 0.562 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.478 -5.696 1.797 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.497 -4.442 1.505 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.750 -5.433 2.176 1.00 0.46 C ATOM 1152 OH TYR A 72 12.421 -6.241 3.071 1.00 0.56 O ATOM 0 H TYR A 72 11.215 -2.408 -3.182 1.00 0.24 H new ATOM 0 HA TYR A 72 9.707 -4.729 -2.181 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.413 -2.080 -0.893 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.868 -2.809 -0.503 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.828 -5.094 0.583 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.419 -2.866 0.082 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.944 -6.524 2.240 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.544 -4.298 1.728 1.00 0.42 H new ATOM 0 HH TYR A 72 12.894 -6.947 2.583 1.00 0.56 H new ATOM 1162 N GLU A 73 7.664 -3.923 -3.293 1.00 0.21 N ATOM 1163 CA GLU A 73 6.438 -3.485 -3.952 1.00 0.21 C ATOM 1164 C GLU A 73 5.290 -3.477 -2.942 1.00 0.23 C ATOM 1165 O GLU A 73 5.210 -4.366 -2.093 1.00 0.32 O ATOM 1166 CB GLU A 73 6.106 -4.407 -5.127 1.00 0.25 C ATOM 1167 CG GLU A 73 5.910 -3.671 -6.442 1.00 0.65 C ATOM 1168 CD GLU A 73 6.127 -4.562 -7.649 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.322 -5.497 -7.850 1.00 1.50 O ATOM 1170 OE2 GLU A 73 7.100 -4.326 -8.395 1.00 1.32 O ATOM 0 H GLU A 73 7.724 -4.930 -3.140 1.00 0.21 H new ATOM 0 HA GLU A 73 6.581 -2.476 -4.339 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.908 -5.135 -5.244 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.199 -4.966 -4.895 1.00 0.25 H new ATOM 0 HG2 GLU A 73 4.901 -3.259 -6.476 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.600 -2.829 -6.489 1.00 0.65 H new ATOM 1177 N PHE A 74 4.408 -2.478 -3.014 1.00 0.22 N ATOM 1178 CA PHE A 74 3.289 -2.413 -2.051 1.00 0.28 C ATOM 1179 C PHE A 74 1.945 -2.032 -2.678 1.00 0.25 C ATOM 1180 O PHE A 74 1.825 -1.009 -3.344 1.00 0.30 O ATOM 1181 CB PHE A 74 3.572 -1.408 -0.924 1.00 0.39 C ATOM 1182 CG PHE A 74 5.011 -1.033 -0.741 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.837 -1.771 0.094 1.00 0.42 C ATOM 1184 CD2 PHE A 74 5.535 0.070 -1.394 1.00 0.52 C ATOM 1185 CE1 PHE A 74 7.156 -1.411 0.270 1.00 0.49 C ATOM 1186 CE2 PHE A 74 6.855 0.429 -1.223 1.00 0.60 C ATOM 1187 CZ PHE A 74 7.667 -0.311 -0.390 1.00 0.53 C ATOM 0 H PHE A 74 4.436 -1.724 -3.700 1.00 0.22 H new ATOM 0 HA PHE A 74 3.214 -3.429 -1.664 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.000 -0.501 -1.118 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.201 -1.825 0.012 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.444 -2.634 0.610 1.00 0.42 H new ATOM 0 HD2 PHE A 74 4.902 0.656 -2.045 1.00 0.52 H new ATOM 0 HE1 PHE A 74 7.790 -1.990 0.925 1.00 0.49 H new ATOM 0 HE2 PHE A 74 7.253 1.289 -1.741 1.00 0.60 H new ATOM 0 HZ PHE A 74 8.701 -0.031 -0.254 1.00 0.53 H new ATOM 1197 N ARG A 75 0.923 -2.849 -2.408 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.431 -2.582 -2.900 1.00 0.34 C ATOM 1199 C ARG A 75 -1.326 -2.229 -1.734 1.00 0.31 C ATOM 1200 O ARG A 75 -0.993 -2.535 -0.595 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.010 -3.786 -3.646 1.00 0.46 C ATOM 1202 CG ARG A 75 -1.255 -5.004 -2.770 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.184 -6.055 -2.990 1.00 1.08 C ATOM 1204 NE ARG A 75 -0.567 -7.052 -3.989 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.606 -7.869 -3.850 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.359 -7.809 -2.760 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.893 -8.747 -4.801 1.00 1.87 N ATOM 0 H ARG A 75 1.008 -3.700 -1.852 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.379 -1.749 -3.601 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.951 -3.492 -4.112 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.329 -4.062 -4.451 1.00 0.46 H new ATOM 0 HG2 ARG A 75 -1.267 -4.706 -1.722 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -2.235 -5.426 -2.993 1.00 0.94 H new ATOM 0 HD2 ARG A 75 0.738 -5.567 -3.305 1.00 1.08 H new ATOM 0 HD3 ARG A 75 0.027 -6.556 -2.045 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.007 -7.124 -4.838 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.141 -7.135 -2.026 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -3.156 -8.437 -2.655 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.316 -8.796 -5.641 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -2.691 -9.373 -4.693 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.459 -1.591 -2.005 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.365 -1.220 -0.924 1.00 0.39 C ATOM 1223 C VAL A 76 -4.753 -1.837 -1.104 1.00 0.31 C ATOM 1224 O VAL A 76 -5.506 -1.472 -2.008 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.443 0.338 -0.692 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.791 1.124 -1.821 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.868 0.846 -0.458 1.00 0.47 C ATOM 0 H VAL A 76 -2.767 -1.325 -2.940 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.936 -1.642 -0.015 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.879 0.512 0.224 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.871 2.191 -1.615 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.740 0.847 -1.897 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.295 0.897 -2.760 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.849 1.925 -0.306 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.485 0.613 -1.326 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.286 0.362 0.425 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.083 -2.759 -0.208 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.372 -3.418 -0.216 1.00 0.31 C ATOM 1239 C ILE A 77 -7.218 -2.853 0.908 1.00 0.30 C ATOM 1240 O ILE A 77 -6.769 -1.983 1.653 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.284 -4.954 -0.035 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -4.839 -5.450 0.030 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.013 -5.645 -1.164 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.742 -6.957 0.129 1.00 0.42 C ATOM 0 H ILE A 77 -4.462 -3.067 0.541 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.813 -3.232 -1.195 1.00 0.31 H new ATOM 0 HB ILE A 77 -6.755 -5.197 0.918 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -4.303 -5.113 -0.858 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.344 -5.001 0.891 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.948 -6.725 -1.032 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.060 -5.341 -1.161 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -6.558 -5.368 -2.115 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -3.694 -7.252 0.172 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -5.252 -7.296 1.031 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.211 -7.410 -0.745 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.435 -3.348 1.038 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.317 -2.874 2.088 1.00 0.30 C ATOM 1258 C ALA A 78 -10.652 -3.592 2.055 1.00 0.34 C ATOM 1259 O ALA A 78 -10.790 -4.645 1.442 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.522 -1.370 1.961 1.00 0.39 C ATOM 0 H ALA A 78 -8.832 -4.070 0.437 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.846 -3.090 3.047 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -10.186 -1.025 2.754 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.561 -0.863 2.046 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.967 -1.144 0.992 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.630 -3.001 2.716 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.971 -3.540 2.771 1.00 0.43 C ATOM 1268 C LYS A 79 -13.950 -2.399 2.580 1.00 0.59 C ATOM 1269 O LYS A 79 -13.543 -1.282 2.270 1.00 1.31 O ATOM 1270 CB LYS A 79 -13.238 -4.229 4.108 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.753 -5.664 4.189 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.689 -6.499 5.049 1.00 1.50 C ATOM 1273 CE LYS A 79 -13.565 -7.980 4.731 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.775 -8.827 5.938 1.00 1.98 N ATOM 0 H LYS A 79 -11.513 -2.129 3.232 1.00 0.38 H new ATOM 0 HA LYS A 79 -13.089 -4.286 1.985 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.760 -3.653 4.900 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.310 -4.211 4.303 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.694 -6.090 3.188 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.747 -5.690 4.607 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -13.463 -6.332 6.102 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -14.718 -6.176 4.888 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -14.294 -8.250 3.967 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.578 -8.180 4.314 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.682 -9.830 5.679 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -13.063 -8.588 6.658 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.726 -8.655 6.321 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.227 -2.665 2.770 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.231 -1.633 2.625 1.00 0.70 C ATOM 1290 C ASN A 80 -17.228 -1.699 3.761 1.00 0.87 C ATOM 1291 O ASN A 80 -17.407 -2.740 4.387 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.959 -1.766 1.293 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.454 -3.174 1.047 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.664 -4.106 0.916 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -18.772 -3.329 0.987 1.00 2.05 N ATOM 0 H ASN A 80 -15.592 -3.583 3.024 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.725 -0.668 2.651 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.804 -1.078 1.273 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -16.289 -1.472 0.485 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -19.170 -4.254 0.826 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -19.386 -2.523 1.102 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.875 -0.579 4.017 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.877 -0.477 5.079 1.00 0.82 C ATOM 1304 C ALA A 81 -19.756 -1.735 5.167 1.00 0.88 C ATOM 1305 O ALA A 81 -20.259 -2.074 6.238 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.754 0.746 4.843 1.00 0.83 C ATOM 0 H ALA A 81 -17.727 0.288 3.501 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.345 -0.379 6.025 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.499 0.818 5.636 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.135 1.643 4.844 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.257 0.653 3.880 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.947 -2.415 4.032 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.775 -3.619 3.984 1.00 0.90 C ATOM 1314 C ALA A 82 -20.066 -4.848 4.548 1.00 0.88 C ATOM 1315 O ALA A 82 -20.717 -5.797 4.986 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.223 -3.887 2.555 1.00 0.94 C ATOM 0 H ALA A 82 -19.539 -2.150 3.136 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.643 -3.433 4.617 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.839 -4.786 2.529 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.803 -3.039 2.190 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.348 -4.028 1.920 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.740 -4.841 4.531 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.995 -5.972 5.038 1.00 0.86 C ATOM 1324 C GLY A 83 -17.254 -6.713 3.941 1.00 0.78 C ATOM 1325 O GLY A 83 -16.410 -7.563 4.223 1.00 0.93 O ATOM 0 H GLY A 83 -18.170 -4.074 4.176 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -17.281 -5.628 5.787 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.677 -6.658 5.540 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.567 -6.392 2.684 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.913 -7.037 1.550 1.00 0.78 C ATOM 1331 C ALA A 84 -15.412 -6.786 1.604 1.00 0.76 C ATOM 1332 O ALA A 84 -14.869 -6.519 2.671 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.502 -6.538 0.240 1.00 0.92 C ATOM 0 H ALA A 84 -18.265 -5.693 2.429 1.00 0.72 H new ATOM 0 HA ALA A 84 -17.086 -8.112 1.606 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -17.002 -7.030 -0.594 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.568 -6.766 0.210 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.359 -5.460 0.164 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.733 -6.869 0.465 1.00 0.50 N ATOM 1340 CA ILE A 85 -13.293 -6.642 0.457 1.00 0.40 C ATOM 1341 C ILE A 85 -12.805 -5.956 -0.810 1.00 0.38 C ATOM 1342 O ILE A 85 -12.847 -6.528 -1.898 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.500 -7.962 0.631 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -11.025 -7.660 0.920 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.628 -8.843 -0.610 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.652 -7.806 2.380 1.00 0.79 C ATOM 0 H ILE A 85 -15.144 -7.086 -0.443 1.00 0.50 H new ATOM 0 HA ILE A 85 -13.109 -5.982 1.305 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.921 -8.504 1.477 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.402 -8.329 0.326 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.800 -6.644 0.596 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -12.063 -9.763 -0.463 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.677 -9.085 -0.778 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.235 -8.311 -1.476 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.594 -7.577 2.510 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -11.249 -7.117 2.979 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.844 -8.829 2.704 1.00 0.79 H new ATOM 1358 N SER A 86 -12.302 -4.739 -0.657 1.00 0.39 N ATOM 1359 CA SER A 86 -11.761 -4.016 -1.789 1.00 0.45 C ATOM 1360 C SER A 86 -10.543 -4.794 -2.275 1.00 0.44 C ATOM 1361 O SER A 86 -9.526 -4.846 -1.580 1.00 0.43 O ATOM 1362 CB SER A 86 -11.358 -2.595 -1.392 1.00 0.54 C ATOM 1363 OG SER A 86 -10.153 -2.592 -0.645 1.00 0.59 O ATOM 0 H SER A 86 -12.259 -4.240 0.231 1.00 0.39 H new ATOM 0 HA SER A 86 -12.511 -3.928 -2.575 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.235 -1.986 -2.287 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.155 -2.140 -0.804 1.00 0.54 H new ATOM 0 HG SER A 86 -9.499 -3.180 -1.077 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.627 -5.431 -3.451 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.522 -6.228 -3.986 1.00 0.61 C ATOM 1371 C PRO A 87 -8.216 -5.443 -4.074 1.00 0.54 C ATOM 1372 O PRO A 87 -8.219 -4.232 -4.291 1.00 0.63 O ATOM 1373 CB PRO A 87 -10.014 -6.666 -5.368 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.180 -5.787 -5.671 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.793 -5.447 -4.344 1.00 0.59 C ATOM 0 HA PRO A 87 -9.281 -7.070 -3.337 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.231 -6.552 -6.118 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -10.304 -7.717 -5.367 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.864 -4.887 -6.198 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.897 -6.297 -6.314 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.300 -4.483 -4.366 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.530 -6.188 -4.036 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.076 -6.136 -3.891 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.748 -5.525 -3.930 1.00 0.56 C ATOM 1385 C PRO A 88 -5.611 -4.428 -4.975 1.00 0.48 C ATOM 1386 O PRO A 88 -5.786 -4.667 -6.170 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.855 -6.707 -4.284 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.508 -7.872 -3.622 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.991 -7.588 -3.618 1.00 0.72 C ATOM 0 HA PRO A 88 -5.504 -5.028 -2.991 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.790 -6.847 -5.363 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.838 -6.561 -3.920 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.291 -8.795 -4.160 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.135 -8.000 -2.606 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.511 -8.169 -4.380 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.444 -7.841 -2.659 1.00 0.72 H new ATOM 1397 N SER A 89 -5.281 -3.222 -4.517 1.00 0.43 N ATOM 1398 CA SER A 89 -5.104 -2.095 -5.417 1.00 0.42 C ATOM 1399 C SER A 89 -3.668 -2.056 -5.934 1.00 0.35 C ATOM 1400 O SER A 89 -2.758 -1.624 -5.219 1.00 0.51 O ATOM 1401 CB SER A 89 -5.447 -0.784 -4.712 1.00 0.56 C ATOM 1402 OG SER A 89 -4.397 -0.374 -3.858 1.00 1.28 O ATOM 0 H SER A 89 -5.132 -3.005 -3.531 1.00 0.43 H new ATOM 0 HA SER A 89 -5.781 -2.218 -6.262 1.00 0.42 H new ATOM 0 HB2 SER A 89 -5.640 -0.009 -5.453 1.00 0.56 H new ATOM 0 HB3 SER A 89 -6.363 -0.907 -4.134 1.00 0.56 H new ATOM 0 HG SER A 89 -4.707 -0.388 -2.928 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.505 -2.522 -7.182 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.213 -2.591 -7.900 1.00 0.37 C ATOM 1410 C GLU A 90 -1.014 -2.083 -7.091 1.00 0.34 C ATOM 1411 O GLU A 90 -0.900 -0.888 -6.830 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.313 -1.793 -9.201 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.913 -2.583 -10.437 1.00 0.90 C ATOM 1414 CD GLU A 90 -2.288 -1.876 -11.724 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -3.430 -1.377 -11.817 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -1.440 -1.820 -12.639 1.00 1.76 O ATOM 0 H GLU A 90 -4.285 -2.871 -7.738 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.029 -3.648 -8.091 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.337 -1.440 -9.322 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.679 -0.910 -9.124 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -0.837 -2.756 -10.421 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.393 -3.561 -10.410 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.094 -2.983 -6.689 1.00 0.30 N ATOM 1424 CA PRO A 91 1.088 -2.597 -5.920 1.00 0.29 C ATOM 1425 C PRO A 91 1.830 -1.410 -6.517 1.00 0.31 C ATOM 1426 O PRO A 91 1.586 -1.007 -7.653 1.00 0.55 O ATOM 1427 CB PRO A 91 1.981 -3.831 -5.975 1.00 0.36 C ATOM 1428 CG PRO A 91 1.061 -4.980 -6.202 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.135 -4.437 -6.948 1.00 0.39 C ATOM 0 HA PRO A 91 0.808 -2.287 -4.913 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.713 -3.750 -6.779 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.539 -3.953 -5.047 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.554 -5.763 -6.778 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.757 -5.425 -5.255 1.00 0.36 H new ATOM 0 HD2 PRO A 91 -0.071 -4.654 -8.014 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.064 -4.880 -6.588 1.00 0.39 H new ATOM 1437 N SER A 92 2.750 -0.868 -5.729 1.00 0.27 N ATOM 1438 CA SER A 92 3.562 0.260 -6.140 1.00 0.31 C ATOM 1439 C SER A 92 4.969 -0.226 -6.441 1.00 0.27 C ATOM 1440 O SER A 92 5.466 -1.131 -5.760 1.00 0.24 O ATOM 1441 CB SER A 92 3.595 1.332 -5.043 1.00 0.39 C ATOM 1442 OG SER A 92 4.873 1.936 -4.943 1.00 1.23 O ATOM 0 H SER A 92 2.951 -1.202 -4.786 1.00 0.27 H new ATOM 0 HA SER A 92 3.129 0.707 -7.035 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.847 2.095 -5.257 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.328 0.883 -4.086 1.00 0.39 H new ATOM 0 HG SER A 92 5.320 1.623 -4.129 1.00 1.23 H new ATOM 1448 N ASP A 93 5.594 0.380 -7.458 1.00 0.33 N ATOM 1449 CA ASP A 93 6.956 0.036 -7.891 1.00 0.36 C ATOM 1450 C ASP A 93 7.811 -0.510 -6.753 1.00 0.32 C ATOM 1451 O ASP A 93 7.690 -0.078 -5.607 1.00 0.56 O ATOM 1452 CB ASP A 93 7.641 1.262 -8.490 1.00 0.45 C ATOM 1453 CG ASP A 93 7.973 1.077 -9.958 1.00 0.89 C ATOM 1454 OD1 ASP A 93 8.998 0.428 -10.256 1.00 1.63 O ATOM 1455 OD2 ASP A 93 7.207 1.578 -10.807 1.00 1.55 O ATOM 0 H ASP A 93 5.168 1.127 -8.007 1.00 0.33 H new ATOM 0 HA ASP A 93 6.860 -0.749 -8.641 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.993 2.131 -8.373 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.556 1.471 -7.936 1.00 0.45 H new ATOM 1460 N ALA A 94 8.672 -1.464 -7.079 1.00 0.33 N ATOM 1461 CA ALA A 94 9.540 -2.067 -6.084 1.00 0.28 C ATOM 1462 C ALA A 94 10.741 -1.171 -5.794 1.00 0.29 C ATOM 1463 O ALA A 94 11.613 -0.992 -6.644 1.00 0.41 O ATOM 1464 CB ALA A 94 9.997 -3.440 -6.550 1.00 0.34 C ATOM 0 H ALA A 94 8.786 -1.834 -8.022 1.00 0.33 H new ATOM 0 HA ALA A 94 8.975 -2.182 -5.159 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.647 -3.882 -5.796 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.128 -4.081 -6.701 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.543 -3.343 -7.488 1.00 0.34 H new ATOM 1470 N ILE A 95 10.774 -0.606 -4.593 1.00 0.25 N ATOM 1471 CA ILE A 95 11.860 0.278 -4.189 1.00 0.28 C ATOM 1472 C ILE A 95 13.014 -0.498 -3.554 1.00 0.26 C ATOM 1473 O ILE A 95 12.840 -1.173 -2.539 1.00 0.25 O ATOM 1474 CB ILE A 95 11.351 1.353 -3.203 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.295 2.220 -3.890 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.501 2.217 -2.691 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.880 1.700 -3.744 1.00 0.44 C ATOM 0 H ILE A 95 10.058 -0.745 -3.880 1.00 0.25 H new ATOM 0 HA ILE A 95 12.232 0.764 -5.091 1.00 0.28 H new ATOM 0 HB ILE A 95 10.903 0.854 -2.344 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.345 3.228 -3.479 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.536 2.296 -4.950 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.114 2.965 -1.999 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.227 1.588 -2.176 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.984 2.716 -3.532 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.191 2.370 -4.258 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.812 0.704 -4.181 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.617 1.651 -2.687 1.00 0.44 H new ATOM 1489 N THR A 96 14.194 -0.387 -4.165 1.00 0.29 N ATOM 1490 CA THR A 96 15.398 -1.068 -3.680 1.00 0.32 C ATOM 1491 C THR A 96 15.743 -0.687 -2.241 1.00 0.32 C ATOM 1492 O THR A 96 16.585 -1.332 -1.617 1.00 0.38 O ATOM 1493 CB THR A 96 16.591 -0.739 -4.580 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.296 -1.029 -5.935 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.847 -1.501 -4.208 1.00 0.43 C ATOM 0 H THR A 96 14.343 0.173 -5.004 1.00 0.29 H new ATOM 0 HA THR A 96 15.186 -2.137 -3.706 1.00 0.32 H new ATOM 0 HB THR A 96 16.775 0.326 -4.438 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.071 -0.810 -6.493 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.655 -1.222 -4.884 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.130 -1.258 -3.184 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.660 -2.572 -4.288 1.00 0.43 H new ATOM 1503 N CYS A 97 15.111 0.367 -1.722 1.00 0.32 N ATOM 1504 CA CYS A 97 15.366 0.835 -0.360 1.00 0.36 C ATOM 1505 C CYS A 97 16.854 0.852 -0.052 1.00 0.43 C ATOM 1506 O CYS A 97 17.343 0.047 0.729 1.00 0.64 O ATOM 1507 CB CYS A 97 14.620 -0.022 0.672 1.00 0.38 C ATOM 1508 SG CYS A 97 15.017 -1.782 0.665 1.00 1.10 S ATOM 0 H CYS A 97 14.415 0.915 -2.228 1.00 0.32 H new ATOM 0 HA CYS A 97 14.991 1.856 -0.294 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.830 0.375 1.665 1.00 0.38 H new ATOM 0 HB3 CYS A 97 13.549 0.090 0.504 1.00 0.38 H new ATOM 0 HG CYS A 97 14.460 -2.348 -0.364 1.00 1.10 H new ATOM 1514 N ARG A 98 17.563 1.779 -0.672 1.00 0.53 N ATOM 1515 CA ARG A 98 19.003 1.905 -0.465 1.00 0.63 C ATOM 1516 C ARG A 98 19.324 3.045 0.495 1.00 0.80 C ATOM 1517 O ARG A 98 19.435 2.839 1.703 1.00 1.04 O ATOM 1518 CB ARG A 98 19.733 2.102 -1.801 1.00 0.68 C ATOM 1519 CG ARG A 98 18.904 2.804 -2.869 1.00 0.74 C ATOM 1520 CD ARG A 98 19.779 3.584 -3.838 1.00 0.92 C ATOM 1521 NE ARG A 98 20.900 2.786 -4.336 1.00 1.64 N ATOM 1522 CZ ARG A 98 22.124 2.788 -3.806 1.00 2.31 C ATOM 1523 NH1 ARG A 98 22.412 3.546 -2.753 1.00 3.00 N ATOM 1524 NH2 ARG A 98 23.070 2.024 -4.335 1.00 2.68 N ATOM 0 H ARG A 98 17.169 2.458 -1.324 1.00 0.53 H new ATOM 0 HA ARG A 98 19.356 0.977 -0.016 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.641 2.679 -1.624 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.043 1.128 -2.180 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.320 2.066 -3.419 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.195 3.481 -2.393 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.174 3.922 -4.679 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.162 4.476 -3.342 1.00 0.92 H new ATOM 0 HE ARG A 98 20.734 2.187 -5.144 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.692 4.138 -2.338 1.00 3.00 H new ATOM 0 HH12 ARG A 98 23.353 3.536 -2.360 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.860 1.439 -5.143 1.00 2.68 H new ATOM 0 HH22 ARG A 98 24.008 2.022 -3.934 1.00 2.68 H new ATOM 1538 N ASP A 99 19.472 4.245 -0.047 1.00 0.92 N ATOM 1539 CA ASP A 99 19.781 5.416 0.766 1.00 1.20 C ATOM 1540 C ASP A 99 18.781 6.547 0.522 1.00 1.03 C ATOM 1541 O ASP A 99 18.973 7.664 1.000 1.00 1.20 O ATOM 1542 CB ASP A 99 21.199 5.907 0.466 1.00 1.61 C ATOM 1543 CG ASP A 99 21.264 6.763 -0.784 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.732 7.893 -0.760 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.850 6.303 -1.787 1.00 2.14 O ATOM 0 H ASP A 99 19.384 4.435 -1.045 1.00 0.92 H new ATOM 0 HA ASP A 99 19.711 5.121 1.813 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.569 6.481 1.316 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.860 5.048 0.350 1.00 1.61 H new ATOM 1550 N ASP A 100 17.713 6.257 -0.222 1.00 0.85 N ATOM 1551 CA ASP A 100 16.697 7.261 -0.518 1.00 0.92 C ATOM 1552 C ASP A 100 17.334 8.540 -1.051 1.00 1.22 C ATOM 1553 O ASP A 100 16.765 9.625 -0.933 1.00 1.38 O ATOM 1554 CB ASP A 100 15.876 7.569 0.735 1.00 0.87 C ATOM 1555 CG ASP A 100 14.575 8.278 0.414 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.264 8.434 -0.785 1.00 2.06 O ATOM 1557 OD2 ASP A 100 13.867 8.678 1.363 1.00 2.03 O ATOM 0 H ASP A 100 17.532 5.339 -0.628 1.00 0.85 H new ATOM 0 HA ASP A 100 16.037 6.859 -1.287 1.00 0.92 H new ATOM 0 HB2 ASP A 100 15.660 6.640 1.262 1.00 0.87 H new ATOM 0 HB3 ASP A 100 16.467 8.188 1.410 1.00 0.87 H new ATOM 1562 N VAL A 101 18.517 8.403 -1.640 1.00 1.43 N ATOM 1563 CA VAL A 101 19.234 9.544 -2.193 1.00 1.90 C ATOM 1564 C VAL A 101 19.935 9.193 -3.507 1.00 2.23 C ATOM 1565 O VAL A 101 20.714 9.994 -4.021 1.00 2.80 O ATOM 1566 CB VAL A 101 20.281 10.078 -1.200 1.00 2.20 C ATOM 1567 CG1 VAL A 101 21.345 9.025 -0.933 1.00 2.22 C ATOM 1568 CG2 VAL A 101 20.908 11.362 -1.722 1.00 2.67 C ATOM 0 H VAL A 101 19.000 7.511 -1.746 1.00 1.43 H new ATOM 0 HA VAL A 101 18.487 10.314 -2.385 1.00 1.90 H new ATOM 0 HB VAL A 101 19.781 10.305 -0.258 1.00 2.20 H new ATOM 0 HG11 VAL A 101 22.078 9.419 -0.229 1.00 2.22 H new ATOM 0 HG12 VAL A 101 20.878 8.135 -0.511 1.00 2.22 H new ATOM 0 HG13 VAL A 101 21.843 8.766 -1.867 1.00 2.22 H new ATOM 0 HG21 VAL A 101 21.646 11.724 -1.006 1.00 2.67 H new ATOM 0 HG22 VAL A 101 21.395 11.167 -2.677 1.00 2.67 H new ATOM 0 HG23 VAL A 101 20.133 12.116 -1.857 1.00 2.67 H new ATOM 1578 N GLU A 102 19.646 7.995 -4.045 1.00 1.99 N ATOM 1579 CA GLU A 102 20.230 7.515 -5.302 1.00 2.40 C ATOM 1580 C GLU A 102 21.628 8.076 -5.559 1.00 2.00 C ATOM 1581 O GLU A 102 21.782 9.145 -6.149 1.00 2.49 O ATOM 1582 CB GLU A 102 19.298 7.859 -6.458 1.00 3.22 C ATOM 1583 CG GLU A 102 19.126 9.352 -6.682 1.00 3.87 C ATOM 1584 CD GLU A 102 19.602 9.795 -8.052 1.00 4.18 C ATOM 1585 OE1 GLU A 102 20.825 9.752 -8.299 1.00 4.47 O ATOM 1586 OE2 GLU A 102 18.751 10.184 -8.879 1.00 4.58 O ATOM 0 H GLU A 102 18.999 7.334 -3.616 1.00 1.99 H new ATOM 0 HA GLU A 102 20.341 6.434 -5.220 1.00 2.40 H new ATOM 0 HB2 GLU A 102 19.684 7.406 -7.371 1.00 3.22 H new ATOM 0 HB3 GLU A 102 18.321 7.414 -6.270 1.00 3.22 H new ATOM 0 HG2 GLU A 102 18.075 9.614 -6.564 1.00 3.87 H new ATOM 0 HG3 GLU A 102 19.678 9.897 -5.916 1.00 3.87 H new ATOM 1593 N ALA A 103 22.641 7.343 -5.112 1.00 1.84 N ATOM 1594 CA ALA A 103 24.025 7.762 -5.291 1.00 2.56 C ATOM 1595 C ALA A 103 24.293 9.085 -4.581 1.00 3.21 C ATOM 1596 O ALA A 103 24.638 9.052 -3.381 1.00 3.72 O ATOM 1597 CB ALA A 103 24.353 7.879 -6.771 1.00 3.26 C ATOM 1598 OXT ALA A 103 24.155 10.142 -5.232 1.00 3.79 O ATOM 0 H ALA A 103 22.529 6.455 -4.623 1.00 1.84 H new ATOM 0 HA ALA A 103 24.670 7.004 -4.846 1.00 2.56 H new ATOM 0 HB1 ALA A 103 25.390 8.193 -6.890 1.00 3.26 H new ATOM 0 HB2 ALA A 103 24.209 6.912 -7.253 1.00 3.26 H new ATOM 0 HB3 ALA A 103 23.696 8.616 -7.232 1.00 3.26 H new TER 1604 ALA A 103