USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 993 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 45 GLN : amide:sc= -22! C(o=-27!,f=-31!) USER MOD Set 1.2: A 114 ASN : amide:sc= -4.88! C(o=-27!,f=-31!) USER MOD Set 2.1: A 47 THR OG1 : rot -135:sc= 1.63 USER MOD Set 2.2: A 49 THR OG1 : rot -75:sc= 0.875 USER MOD Single : A 1 ASP N :NH3+ 172:sc= -0.224 (180deg=-0.315) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.19! C(o=-3.2!,f=-1.4!) USER MOD Single : A 11 ASN : amide:sc= -0.106 K(o=-0.11,f=-2.2!) USER MOD Single : A 14 LYS NZ :NH3+ -166:sc= -0.0259 (180deg=-0.347) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -0.576 X(o=-0.58,f=-0.95!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.256 USER MOD Single : A 30 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-0.64) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.684 X(o=-0.68,f=-0.37) USER MOD Single : A 46 ASN : amide:sc= -4.95! C(o=-5!,f=-5.7!) USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= -0.0207 (180deg=-0.121) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= -0.236 (180deg=-0.245) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 71 ASN : amide:sc= -3.99! C(o=-4!,f=-2.9!) USER MOD Single : A 74 HIS : no HD1:sc= -2.33! C(o=-2.3!,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -0.0359 (180deg=-0.664) USER MOD Single : A 84 GLN : amide:sc= -8.46! C(o=-8.5!,f=-14!) USER MOD Single : A 85 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.14) USER MOD Single : A 86 TYR OH : rot 180:sc= -2.12! USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 120:sc= -0.362 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 93 ASN : amide:sc= -0.4 X(o=-0.4,f=-0.044) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 151:sc= -0.0219 (180deg=-0.409) USER MOD Single : A 101 SER OG : rot -54:sc= -7.27! USER MOD Single : A 103 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.5!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 139:sc=-0.000897 (180deg=-0.0774) USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 124 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.71) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -2.629 -0.822 0.072 1.00 1.68 N ATOM 2 CA ASP A 1 -3.482 0.193 -0.612 1.00 1.51 C ATOM 3 C ASP A 1 -4.330 0.930 0.422 1.00 1.17 C ATOM 4 O ASP A 1 -5.257 1.640 0.085 1.00 2.40 O ATOM 5 CB ASP A 1 -4.407 -0.506 -1.604 1.00 2.30 C ATOM 6 CG ASP A 1 -3.648 -0.803 -2.901 1.00 2.82 C ATOM 7 OD1 ASP A 1 -3.153 0.136 -3.503 1.00 1.97 O ATOM 8 OD2 ASP A 1 -3.579 -1.963 -3.270 1.00 4.36 O ATOM 0 H1 ASP A 1 -2.155 -1.413 -0.640 1.00 1.68 H new ATOM 0 H2 ASP A 1 -1.914 -0.340 0.653 1.00 1.68 H new ATOM 0 H3 ASP A 1 -3.223 -1.422 0.680 1.00 1.68 H new ATOM 0 HA ASP A 1 -2.843 0.903 -1.138 1.00 1.51 H new ATOM 0 HB2 ASP A 1 -4.784 -1.433 -1.172 1.00 2.30 H new ATOM 0 HB3 ASP A 1 -5.272 0.123 -1.814 1.00 2.30 H new ATOM 15 N GLN A 2 -4.017 0.752 1.673 1.00 1.14 N ATOM 16 CA GLN A 2 -4.790 1.423 2.763 1.00 0.83 C ATOM 17 C GLN A 2 -6.271 1.459 2.396 1.00 1.29 C ATOM 18 O GLN A 2 -6.982 2.379 2.746 1.00 3.19 O ATOM 19 CB GLN A 2 -4.286 2.850 2.961 1.00 0.40 C ATOM 20 CG GLN A 2 -3.871 3.428 1.615 1.00 0.68 C ATOM 21 CD GLN A 2 -3.359 4.857 1.807 1.00 1.64 C ATOM 22 OE1 GLN A 2 -4.127 5.798 1.782 1.00 2.11 O ATOM 23 NE2 GLN A 2 -2.086 5.059 2.004 1.00 2.28 N ATOM 0 H GLN A 2 -3.249 0.163 1.995 1.00 1.14 H new ATOM 0 HA GLN A 2 -4.654 0.862 3.687 1.00 0.83 H new ATOM 0 HB2 GLN A 2 -5.067 3.465 3.409 1.00 0.40 H new ATOM 0 HB3 GLN A 2 -3.441 2.857 3.649 1.00 0.40 H new ATOM 0 HG2 GLN A 2 -3.094 2.810 1.166 1.00 0.68 H new ATOM 0 HG3 GLN A 2 -4.718 3.423 0.929 1.00 0.68 H new ATOM 0 HE21 GLN A 2 -1.441 4.269 2.025 1.00 2.28 H new ATOM 0 HE22 GLN A 2 -1.735 6.007 2.137 1.00 2.28 H new ATOM 32 N VAL A 3 -6.726 0.465 1.680 1.00 0.87 N ATOM 33 CA VAL A 3 -8.157 0.412 1.261 1.00 0.78 C ATOM 34 C VAL A 3 -9.051 1.028 2.338 1.00 1.02 C ATOM 35 O VAL A 3 -8.793 0.907 3.520 1.00 2.00 O ATOM 36 CB VAL A 3 -8.558 -1.043 1.049 1.00 0.76 C ATOM 37 CG1 VAL A 3 -8.279 -1.437 -0.400 1.00 0.82 C ATOM 38 CG2 VAL A 3 -7.746 -1.937 1.986 1.00 0.80 C ATOM 0 H VAL A 3 -6.159 -0.322 1.364 1.00 0.87 H new ATOM 0 HA VAL A 3 -8.279 0.976 0.336 1.00 0.78 H new ATOM 0 HB VAL A 3 -9.620 -1.165 1.263 1.00 0.76 H new ATOM 0 HG11 VAL A 3 -8.565 -2.477 -0.556 1.00 0.82 H new ATOM 0 HG12 VAL A 3 -8.856 -0.798 -1.068 1.00 0.82 H new ATOM 0 HG13 VAL A 3 -7.216 -1.317 -0.612 1.00 0.82 H new ATOM 0 HG21 VAL A 3 -8.032 -2.978 1.835 1.00 0.80 H new ATOM 0 HG22 VAL A 3 -6.684 -1.818 1.772 1.00 0.80 H new ATOM 0 HG23 VAL A 3 -7.942 -1.653 3.020 1.00 0.80 H new ATOM 48 N ASP A 4 -10.101 1.686 1.936 1.00 0.58 N ATOM 49 CA ASP A 4 -11.013 2.311 2.928 1.00 0.84 C ATOM 50 C ASP A 4 -12.099 1.309 3.323 1.00 0.46 C ATOM 51 O ASP A 4 -12.504 0.476 2.538 1.00 1.44 O ATOM 52 CB ASP A 4 -11.664 3.551 2.313 1.00 1.35 C ATOM 53 CG ASP A 4 -12.089 4.511 3.427 1.00 1.72 C ATOM 54 OD1 ASP A 4 -12.898 4.112 4.248 1.00 2.47 O ATOM 55 OD2 ASP A 4 -11.600 5.629 3.439 1.00 1.86 O ATOM 0 H ASP A 4 -10.366 1.817 0.960 1.00 0.58 H new ATOM 0 HA ASP A 4 -10.445 2.600 3.812 1.00 0.84 H new ATOM 0 HB2 ASP A 4 -10.964 4.046 1.639 1.00 1.35 H new ATOM 0 HB3 ASP A 4 -12.530 3.262 1.717 1.00 1.35 H new ATOM 60 N VAL A 5 -12.574 1.387 4.534 1.00 0.99 N ATOM 61 CA VAL A 5 -13.633 0.444 4.985 1.00 1.17 C ATOM 62 C VAL A 5 -14.408 1.081 6.137 1.00 1.16 C ATOM 63 O VAL A 5 -13.987 2.072 6.700 1.00 1.39 O ATOM 64 CB VAL A 5 -12.987 -0.862 5.460 1.00 1.29 C ATOM 65 CG1 VAL A 5 -12.950 -1.861 4.302 1.00 1.65 C ATOM 66 CG2 VAL A 5 -11.558 -0.586 5.932 1.00 1.01 C ATOM 0 H VAL A 5 -12.273 2.066 5.233 1.00 0.99 H new ATOM 0 HA VAL A 5 -14.312 0.229 4.160 1.00 1.17 H new ATOM 0 HB VAL A 5 -13.570 -1.274 6.284 1.00 1.29 H new ATOM 0 HG11 VAL A 5 -12.491 -2.791 4.638 1.00 1.65 H new ATOM 0 HG12 VAL A 5 -13.966 -2.061 3.961 1.00 1.65 H new ATOM 0 HG13 VAL A 5 -12.367 -1.444 3.481 1.00 1.65 H new ATOM 0 HG21 VAL A 5 -11.100 -1.516 6.269 1.00 1.01 H new ATOM 0 HG22 VAL A 5 -10.976 -0.173 5.108 1.00 1.01 H new ATOM 0 HG23 VAL A 5 -11.578 0.128 6.755 1.00 1.01 H new ATOM 76 N LYS A 6 -15.531 0.524 6.500 1.00 0.93 N ATOM 77 CA LYS A 6 -16.317 1.104 7.626 1.00 0.94 C ATOM 78 C LYS A 6 -15.684 0.639 8.934 1.00 0.86 C ATOM 79 O LYS A 6 -16.168 -0.261 9.592 1.00 0.87 O ATOM 80 CB LYS A 6 -17.764 0.614 7.556 1.00 0.86 C ATOM 81 CG LYS A 6 -18.618 1.604 6.750 1.00 0.97 C ATOM 82 CD LYS A 6 -17.749 2.325 5.714 1.00 1.85 C ATOM 83 CE LYS A 6 -18.618 2.771 4.537 1.00 2.83 C ATOM 84 NZ LYS A 6 -17.742 3.175 3.400 1.00 3.62 N ATOM 0 H LYS A 6 -15.937 -0.305 6.067 1.00 0.93 H new ATOM 0 HA LYS A 6 -16.313 2.192 7.566 1.00 0.94 H new ATOM 0 HB2 LYS A 6 -17.800 -0.372 7.092 1.00 0.86 H new ATOM 0 HB3 LYS A 6 -18.169 0.507 8.562 1.00 0.86 H new ATOM 0 HG2 LYS A 6 -19.429 1.074 6.251 1.00 0.97 H new ATOM 0 HG3 LYS A 6 -19.077 2.331 7.420 1.00 0.97 H new ATOM 0 HD2 LYS A 6 -17.264 3.189 6.169 1.00 1.85 H new ATOM 0 HD3 LYS A 6 -16.957 1.663 5.364 1.00 1.85 H new ATOM 0 HE2 LYS A 6 -19.279 1.960 4.231 1.00 2.83 H new ATOM 0 HE3 LYS A 6 -19.253 3.605 4.835 1.00 2.83 H new ATOM 0 HZ1 LYS A 6 -18.331 3.479 2.599 1.00 3.62 H new ATOM 0 HZ2 LYS A 6 -17.129 3.961 3.696 1.00 3.62 H new ATOM 0 HZ3 LYS A 6 -17.154 2.367 3.111 1.00 3.62 H new ATOM 98 N ASP A 7 -14.589 1.236 9.302 1.00 0.77 N ATOM 99 CA ASP A 7 -13.893 0.829 10.550 1.00 0.67 C ATOM 100 C ASP A 7 -14.333 1.708 11.716 1.00 0.52 C ATOM 101 O ASP A 7 -14.962 2.733 11.544 1.00 0.56 O ATOM 102 CB ASP A 7 -12.383 0.987 10.356 1.00 0.67 C ATOM 103 CG ASP A 7 -12.071 2.433 9.976 1.00 0.58 C ATOM 104 OD1 ASP A 7 -12.998 3.227 9.933 1.00 0.74 O ATOM 105 OD2 ASP A 7 -10.911 2.727 9.737 1.00 0.44 O ATOM 0 H ASP A 7 -14.142 1.995 8.787 1.00 0.77 H new ATOM 0 HA ASP A 7 -14.143 -0.209 10.770 1.00 0.67 H new ATOM 0 HB2 ASP A 7 -11.857 0.718 11.272 1.00 0.67 H new ATOM 0 HB3 ASP A 7 -12.032 0.310 9.577 1.00 0.67 H new ATOM 110 N CYS A 8 -13.978 1.308 12.900 1.00 0.50 N ATOM 111 CA CYS A 8 -14.326 2.089 14.110 1.00 0.70 C ATOM 112 C CYS A 8 -13.017 2.621 14.691 1.00 1.58 C ATOM 113 O CYS A 8 -12.934 3.730 15.178 1.00 3.26 O ATOM 114 CB CYS A 8 -15.017 1.168 15.115 1.00 1.27 C ATOM 115 SG CYS A 8 -16.344 0.254 14.280 1.00 1.52 S ATOM 0 H CYS A 8 -13.450 0.454 13.082 1.00 0.50 H new ATOM 0 HA CYS A 8 -15.000 2.913 13.877 1.00 0.70 H new ATOM 0 HB2 CYS A 8 -14.295 0.473 15.544 1.00 1.27 H new ATOM 0 HB3 CYS A 8 -15.426 1.752 15.939 1.00 1.27 H new ATOM 120 N ALA A 9 -11.984 1.828 14.595 1.00 0.89 N ATOM 121 CA ALA A 9 -10.641 2.250 15.084 1.00 1.82 C ATOM 122 C ALA A 9 -10.178 3.434 14.250 1.00 3.58 C ATOM 123 O ALA A 9 -10.975 4.234 13.810 1.00 5.02 O ATOM 124 CB ALA A 9 -9.658 1.117 14.834 1.00 1.55 C ATOM 0 H ALA A 9 -12.015 0.891 14.192 1.00 0.89 H new ATOM 0 HA ALA A 9 -10.692 2.504 16.143 1.00 1.82 H new ATOM 0 HB1 ALA A 9 -8.669 1.409 15.186 1.00 1.55 H new ATOM 0 HB2 ALA A 9 -9.986 0.226 15.370 1.00 1.55 H new ATOM 0 HB3 ALA A 9 -9.614 0.902 13.766 1.00 1.55 H new ATOM 130 N ASN A 10 -8.890 3.515 13.990 1.00 3.94 N ATOM 131 CA ASN A 10 -8.361 4.607 13.134 1.00 5.65 C ATOM 132 C ASN A 10 -8.207 5.900 13.934 1.00 4.09 C ATOM 133 O ASN A 10 -7.210 6.586 13.824 1.00 4.98 O ATOM 134 CB ASN A 10 -9.318 4.786 11.964 1.00 7.35 C ATOM 135 CG ASN A 10 -10.032 6.139 12.071 1.00 8.34 C ATOM 136 OD1 ASN A 10 -11.042 6.261 12.736 1.00 8.12 O ATOM 137 ND2 ASN A 10 -9.544 7.172 11.441 1.00 9.64 N ATOM 0 H ASN A 10 -8.187 2.864 14.340 1.00 3.94 H new ATOM 0 HA ASN A 10 -7.369 4.351 12.762 1.00 5.65 H new ATOM 0 HB2 ASN A 10 -8.770 4.728 11.024 1.00 7.35 H new ATOM 0 HB3 ASN A 10 -10.050 3.979 11.956 1.00 7.35 H new ATOM 0 HD21 ASN A 10 -10.010 8.077 11.508 1.00 9.64 H new ATOM 0 HD22 ASN A 10 -8.697 7.075 10.882 1.00 9.64 H new ATOM 144 N ASN A 11 -9.162 6.234 14.751 1.00 1.88 N ATOM 145 CA ASN A 11 -9.032 7.471 15.565 1.00 1.09 C ATOM 146 C ASN A 11 -7.839 7.302 16.504 1.00 1.16 C ATOM 147 O ASN A 11 -7.315 8.255 17.046 1.00 1.53 O ATOM 148 CB ASN A 11 -10.308 7.683 16.384 1.00 1.80 C ATOM 149 CG ASN A 11 -10.372 9.131 16.870 1.00 2.93 C ATOM 150 OD1 ASN A 11 -9.760 10.008 16.292 1.00 3.21 O ATOM 151 ND2 ASN A 11 -11.091 9.421 17.920 1.00 4.23 N ATOM 0 H ASN A 11 -10.024 5.707 14.891 1.00 1.88 H new ATOM 0 HA ASN A 11 -8.882 8.335 14.918 1.00 1.09 H new ATOM 0 HB2 ASN A 11 -11.184 7.454 15.777 1.00 1.80 H new ATOM 0 HB3 ASN A 11 -10.323 7.002 17.235 1.00 1.80 H new ATOM 0 HD21 ASN A 11 -11.139 10.383 18.255 1.00 4.23 H new ATOM 0 HD22 ASN A 11 -11.605 8.685 18.405 1.00 4.23 H new ATOM 158 N GLU A 12 -7.411 6.083 16.696 1.00 0.98 N ATOM 159 CA GLU A 12 -6.253 5.818 17.595 1.00 1.13 C ATOM 160 C GLU A 12 -5.262 4.874 16.894 1.00 1.11 C ATOM 161 O GLU A 12 -4.076 4.909 17.155 1.00 1.09 O ATOM 162 CB GLU A 12 -6.756 5.163 18.884 1.00 1.13 C ATOM 163 CG GLU A 12 -5.811 5.499 20.041 1.00 2.78 C ATOM 164 CD GLU A 12 -5.682 7.018 20.174 1.00 1.62 C ATOM 165 OE1 GLU A 12 -6.524 7.714 19.632 1.00 1.68 O ATOM 166 OE2 GLU A 12 -4.743 7.460 20.816 1.00 1.91 O ATOM 0 H GLU A 12 -7.818 5.253 16.264 1.00 0.98 H new ATOM 0 HA GLU A 12 -5.752 6.757 17.831 1.00 1.13 H new ATOM 0 HB2 GLU A 12 -7.763 5.513 19.112 1.00 1.13 H new ATOM 0 HB3 GLU A 12 -6.816 4.082 18.754 1.00 1.13 H new ATOM 0 HG2 GLU A 12 -6.191 5.074 20.970 1.00 2.78 H new ATOM 0 HG3 GLU A 12 -4.831 5.055 19.864 1.00 2.78 H new ATOM 173 N ILE A 13 -5.737 4.026 16.013 1.00 1.11 N ATOM 174 CA ILE A 13 -4.814 3.083 15.313 1.00 1.10 C ATOM 175 C ILE A 13 -3.609 3.844 14.774 1.00 0.99 C ATOM 176 O ILE A 13 -3.665 5.029 14.512 1.00 1.00 O ATOM 177 CB ILE A 13 -5.532 2.386 14.151 1.00 1.16 C ATOM 178 CG1 ILE A 13 -6.409 1.263 14.692 1.00 1.61 C ATOM 179 CG2 ILE A 13 -4.498 1.771 13.216 1.00 1.00 C ATOM 180 CD1 ILE A 13 -7.034 0.474 13.534 1.00 1.54 C ATOM 0 H ILE A 13 -6.720 3.948 15.751 1.00 1.11 H new ATOM 0 HA ILE A 13 -4.485 2.330 16.029 1.00 1.10 H new ATOM 0 HB ILE A 13 -6.141 3.117 13.619 1.00 1.16 H new ATOM 0 HG12 ILE A 13 -5.815 0.596 15.317 1.00 1.61 H new ATOM 0 HG13 ILE A 13 -7.194 1.677 15.325 1.00 1.61 H new ATOM 0 HG21 ILE A 13 -5.005 1.275 12.389 1.00 1.00 H new ATOM 0 HG22 ILE A 13 -3.849 2.555 12.826 1.00 1.00 H new ATOM 0 HG23 ILE A 13 -3.899 1.043 13.764 1.00 1.00 H new ATOM 0 HD11 ILE A 13 -7.658 -0.325 13.933 1.00 1.54 H new ATOM 0 HD12 ILE A 13 -7.645 1.142 12.926 1.00 1.54 H new ATOM 0 HD13 ILE A 13 -6.244 0.044 12.918 1.00 1.54 H new ATOM 192 N LYS A 14 -2.520 3.157 14.607 1.00 0.89 N ATOM 193 CA LYS A 14 -1.291 3.804 14.082 1.00 0.79 C ATOM 194 C LYS A 14 -1.017 3.273 12.687 1.00 0.85 C ATOM 195 O LYS A 14 -0.329 3.890 11.898 1.00 0.73 O ATOM 196 CB LYS A 14 -0.104 3.440 14.968 1.00 0.77 C ATOM 197 CG LYS A 14 -0.600 3.096 16.374 1.00 0.85 C ATOM 198 CD LYS A 14 0.517 3.360 17.386 1.00 0.92 C ATOM 199 CE LYS A 14 0.303 4.725 18.045 1.00 0.87 C ATOM 200 NZ LYS A 14 0.893 5.791 17.185 1.00 0.46 N ATOM 0 H LYS A 14 -2.427 2.163 14.814 1.00 0.89 H new ATOM 0 HA LYS A 14 -1.429 4.885 14.066 1.00 0.79 H new ATOM 0 HB2 LYS A 14 0.433 2.592 14.543 1.00 0.77 H new ATOM 0 HB3 LYS A 14 0.598 4.272 15.013 1.00 0.77 H new ATOM 0 HG2 LYS A 14 -1.477 3.695 16.619 1.00 0.85 H new ATOM 0 HG3 LYS A 14 -0.906 2.051 16.418 1.00 0.85 H new ATOM 0 HD2 LYS A 14 0.527 2.577 18.144 1.00 0.92 H new ATOM 0 HD3 LYS A 14 1.486 3.334 16.888 1.00 0.92 H new ATOM 0 HE2 LYS A 14 -0.762 4.908 18.190 1.00 0.87 H new ATOM 0 HE3 LYS A 14 0.766 4.741 19.032 1.00 0.87 H new ATOM 0 HZ1 LYS A 14 0.963 6.676 17.727 1.00 0.46 H new ATOM 0 HZ2 LYS A 14 1.842 5.500 16.873 1.00 0.46 H new ATOM 0 HZ3 LYS A 14 0.287 5.942 16.354 1.00 0.46 H new ATOM 214 N LYS A 15 -1.521 2.116 12.385 1.00 1.06 N ATOM 215 CA LYS A 15 -1.251 1.537 11.050 1.00 1.14 C ATOM 216 C LYS A 15 -2.342 0.525 10.698 1.00 0.99 C ATOM 217 O LYS A 15 -2.575 -0.420 11.415 1.00 0.91 O ATOM 218 CB LYS A 15 0.115 0.856 11.108 1.00 1.26 C ATOM 219 CG LYS A 15 1.042 1.477 10.061 1.00 1.45 C ATOM 220 CD LYS A 15 1.870 0.377 9.399 1.00 1.47 C ATOM 221 CE LYS A 15 3.147 0.143 10.205 1.00 1.32 C ATOM 222 NZ LYS A 15 4.112 -0.638 9.383 1.00 2.42 N ATOM 0 H LYS A 15 -2.105 1.550 13.001 1.00 1.06 H new ATOM 0 HA LYS A 15 -1.249 2.311 10.283 1.00 1.14 H new ATOM 0 HB2 LYS A 15 0.547 0.968 12.103 1.00 1.26 H new ATOM 0 HB3 LYS A 15 0.008 -0.213 10.925 1.00 1.26 H new ATOM 0 HG2 LYS A 15 0.457 2.008 9.310 1.00 1.45 H new ATOM 0 HG3 LYS A 15 1.699 2.210 10.530 1.00 1.45 H new ATOM 0 HD2 LYS A 15 1.290 -0.544 9.341 1.00 1.47 H new ATOM 0 HD3 LYS A 15 2.120 0.661 8.377 1.00 1.47 H new ATOM 0 HE2 LYS A 15 3.587 1.097 10.495 1.00 1.32 H new ATOM 0 HE3 LYS A 15 2.917 -0.395 11.125 1.00 1.32 H new ATOM 0 HZ1 LYS A 15 4.982 -0.799 9.929 1.00 2.42 H new ATOM 0 HZ2 LYS A 15 3.689 -1.553 9.128 1.00 2.42 H new ATOM 0 HZ3 LYS A 15 4.339 -0.108 8.517 1.00 2.42 H new ATOM 236 N VAL A 16 -3.025 0.726 9.608 1.00 1.11 N ATOM 237 CA VAL A 16 -4.112 -0.217 9.225 1.00 0.96 C ATOM 238 C VAL A 16 -4.327 -0.157 7.715 1.00 0.82 C ATOM 239 O VAL A 16 -4.901 0.779 7.199 1.00 0.83 O ATOM 240 CB VAL A 16 -5.394 0.204 9.934 1.00 1.02 C ATOM 241 CG1 VAL A 16 -5.669 1.677 9.630 1.00 1.23 C ATOM 242 CG2 VAL A 16 -6.563 -0.649 9.435 1.00 0.78 C ATOM 0 H VAL A 16 -2.878 1.503 8.964 1.00 1.11 H new ATOM 0 HA VAL A 16 -3.842 -1.234 9.511 1.00 0.96 H new ATOM 0 HB VAL A 16 -5.283 0.063 11.009 1.00 1.02 H new ATOM 0 HG11 VAL A 16 -6.585 1.988 10.133 1.00 1.23 H new ATOM 0 HG12 VAL A 16 -4.836 2.284 9.985 1.00 1.23 H new ATOM 0 HG13 VAL A 16 -5.783 1.811 8.554 1.00 1.23 H new ATOM 0 HG21 VAL A 16 -7.478 -0.346 9.944 1.00 0.78 H new ATOM 0 HG22 VAL A 16 -6.682 -0.510 8.360 1.00 0.78 H new ATOM 0 HG23 VAL A 16 -6.362 -1.700 9.645 1.00 0.78 H new ATOM 252 N MET A 17 -3.869 -1.147 6.999 1.00 0.72 N ATOM 253 CA MET A 17 -4.050 -1.129 5.519 1.00 0.57 C ATOM 254 C MET A 17 -4.144 -2.554 4.974 1.00 0.60 C ATOM 255 O MET A 17 -3.594 -3.485 5.527 1.00 1.36 O ATOM 256 CB MET A 17 -2.852 -0.432 4.871 1.00 0.37 C ATOM 257 CG MET A 17 -2.803 1.031 5.310 1.00 0.12 C ATOM 258 SD MET A 17 -1.780 1.177 6.797 1.00 0.24 S ATOM 259 CE MET A 17 -0.235 1.619 5.966 1.00 1.08 C ATOM 0 H MET A 17 -3.381 -1.962 7.371 1.00 0.72 H new ATOM 0 HA MET A 17 -4.971 -0.595 5.287 1.00 0.57 H new ATOM 0 HB2 MET A 17 -1.929 -0.937 5.155 1.00 0.37 H new ATOM 0 HB3 MET A 17 -2.928 -0.493 3.785 1.00 0.37 H new ATOM 0 HG2 MET A 17 -2.393 1.649 4.511 1.00 0.12 H new ATOM 0 HG3 MET A 17 -3.810 1.396 5.511 1.00 0.12 H new ATOM 0 HE1 MET A 17 0.550 1.760 6.709 1.00 1.08 H new ATOM 0 HE2 MET A 17 0.052 0.820 5.282 1.00 1.08 H new ATOM 0 HE3 MET A 17 -0.375 2.544 5.406 1.00 1.08 H new ATOM 269 N VAL A 18 -4.820 -2.718 3.870 1.00 0.43 N ATOM 270 CA VAL A 18 -4.935 -4.066 3.252 1.00 0.29 C ATOM 271 C VAL A 18 -4.365 -3.989 1.836 1.00 0.32 C ATOM 272 O VAL A 18 -4.958 -3.420 0.941 1.00 0.64 O ATOM 273 CB VAL A 18 -6.397 -4.506 3.202 1.00 0.42 C ATOM 274 CG1 VAL A 18 -6.483 -5.999 3.516 1.00 0.42 C ATOM 275 CG2 VAL A 18 -7.211 -3.729 4.239 1.00 0.79 C ATOM 0 H VAL A 18 -5.300 -1.971 3.368 1.00 0.43 H new ATOM 0 HA VAL A 18 -4.382 -4.795 3.845 1.00 0.29 H new ATOM 0 HB VAL A 18 -6.797 -4.309 2.208 1.00 0.42 H new ATOM 0 HG11 VAL A 18 -7.525 -6.319 3.482 1.00 0.42 H new ATOM 0 HG12 VAL A 18 -5.907 -6.559 2.780 1.00 0.42 H new ATOM 0 HG13 VAL A 18 -6.079 -6.185 4.511 1.00 0.42 H new ATOM 0 HG21 VAL A 18 -8.252 -4.048 4.197 1.00 0.79 H new ATOM 0 HG22 VAL A 18 -6.812 -3.923 5.235 1.00 0.79 H new ATOM 0 HG23 VAL A 18 -7.150 -2.662 4.025 1.00 0.79 H new ATOM 285 N ASP A 19 -3.201 -4.537 1.643 1.00 0.45 N ATOM 286 CA ASP A 19 -2.547 -4.487 0.305 1.00 0.66 C ATOM 287 C ASP A 19 -3.492 -4.999 -0.785 1.00 0.51 C ATOM 288 O ASP A 19 -3.463 -6.157 -1.148 1.00 0.51 O ATOM 289 CB ASP A 19 -1.291 -5.360 0.332 1.00 0.90 C ATOM 290 CG ASP A 19 -0.143 -4.637 -0.375 1.00 1.19 C ATOM 291 OD1 ASP A 19 -0.166 -3.418 -0.407 1.00 1.87 O ATOM 292 OD2 ASP A 19 0.741 -5.316 -0.870 1.00 0.93 O ATOM 0 H ASP A 19 -2.667 -5.024 2.363 1.00 0.45 H new ATOM 0 HA ASP A 19 -2.288 -3.452 0.081 1.00 0.66 H new ATOM 0 HB2 ASP A 19 -1.013 -5.582 1.362 1.00 0.90 H new ATOM 0 HB3 ASP A 19 -1.489 -6.314 -0.158 1.00 0.90 H new ATOM 297 N GLY A 20 -4.310 -4.138 -1.328 1.00 0.51 N ATOM 298 CA GLY A 20 -5.234 -4.570 -2.418 1.00 0.43 C ATOM 299 C GLY A 20 -6.634 -4.860 -1.866 1.00 0.77 C ATOM 300 O GLY A 20 -6.937 -4.563 -0.731 1.00 2.01 O ATOM 0 H GLY A 20 -4.379 -3.155 -1.065 1.00 0.51 H new ATOM 0 HA2 GLY A 20 -5.293 -3.792 -3.180 1.00 0.43 H new ATOM 0 HA3 GLY A 20 -4.838 -5.462 -2.903 1.00 0.43 H new ATOM 304 N CYS A 21 -7.478 -5.441 -2.688 1.00 0.44 N ATOM 305 CA CYS A 21 -8.878 -5.779 -2.274 1.00 0.30 C ATOM 306 C CYS A 21 -9.804 -4.569 -2.494 1.00 0.11 C ATOM 307 O CYS A 21 -10.997 -4.719 -2.656 1.00 0.26 O ATOM 308 CB CYS A 21 -8.933 -6.170 -0.792 1.00 0.40 C ATOM 309 SG CYS A 21 -10.588 -6.805 -0.408 1.00 1.53 S ATOM 0 H CYS A 21 -7.250 -5.700 -3.648 1.00 0.44 H new ATOM 0 HA CYS A 21 -9.208 -6.621 -2.883 1.00 0.30 H new ATOM 0 HB2 CYS A 21 -8.180 -6.927 -0.575 1.00 0.40 H new ATOM 0 HB3 CYS A 21 -8.707 -5.306 -0.166 1.00 0.40 H new ATOM 314 N HIS A 22 -9.272 -3.370 -2.483 1.00 0.36 N ATOM 315 CA HIS A 22 -10.139 -2.162 -2.675 1.00 0.45 C ATOM 316 C HIS A 22 -11.430 -2.341 -1.866 1.00 0.75 C ATOM 317 O HIS A 22 -12.427 -2.790 -2.381 1.00 1.74 O ATOM 318 CB HIS A 22 -10.470 -2.023 -4.161 1.00 0.99 C ATOM 319 CG HIS A 22 -10.289 -0.595 -4.601 1.00 0.91 C ATOM 320 ND1 HIS A 22 -9.350 0.250 -4.030 1.00 1.68 N ATOM 321 CD2 HIS A 22 -10.921 0.146 -5.568 1.00 1.50 C ATOM 322 CE1 HIS A 22 -9.443 1.439 -4.655 1.00 1.48 C ATOM 323 NE2 HIS A 22 -10.385 1.429 -5.600 1.00 1.52 N ATOM 0 H HIS A 22 -8.280 -3.175 -2.350 1.00 0.36 H new ATOM 0 HA HIS A 22 -9.622 -1.265 -2.334 1.00 0.45 H new ATOM 0 HB2 HIS A 22 -9.825 -2.677 -4.748 1.00 0.99 H new ATOM 0 HB3 HIS A 22 -11.497 -2.341 -4.344 1.00 0.99 H new ATOM 0 HD2 HIS A 22 -11.714 -0.213 -6.207 1.00 1.50 H new ATOM 0 HE1 HIS A 22 -8.830 2.296 -4.420 1.00 1.48 H new ATOM 0 HE2 HIS A 22 -10.654 2.198 -6.214 1.00 1.52 H new ATOM 331 N GLY A 23 -11.402 -2.016 -0.595 1.00 0.93 N ATOM 332 CA GLY A 23 -12.611 -2.202 0.270 1.00 1.26 C ATOM 333 C GLY A 23 -13.595 -1.032 0.155 1.00 0.77 C ATOM 334 O GLY A 23 -13.802 -0.475 -0.903 1.00 0.78 O ATOM 0 H GLY A 23 -10.589 -1.628 -0.117 1.00 0.93 H new ATOM 0 HA2 GLY A 23 -13.116 -3.127 -0.009 1.00 1.26 H new ATOM 0 HA3 GLY A 23 -12.299 -2.310 1.309 1.00 1.26 H new ATOM 338 N SER A 24 -14.237 -0.695 1.251 1.00 0.60 N ATOM 339 CA SER A 24 -15.254 0.399 1.239 1.00 0.81 C ATOM 340 C SER A 24 -16.538 -0.176 0.646 1.00 0.87 C ATOM 341 O SER A 24 -17.449 -0.565 1.350 1.00 1.40 O ATOM 342 CB SER A 24 -14.766 1.569 0.385 1.00 0.97 C ATOM 343 OG SER A 24 -14.811 2.760 1.158 1.00 1.39 O ATOM 0 H SER A 24 -14.096 -1.137 2.159 1.00 0.60 H new ATOM 0 HA SER A 24 -15.425 0.769 2.250 1.00 0.81 H new ATOM 0 HB2 SER A 24 -13.749 1.384 0.039 1.00 0.97 H new ATOM 0 HB3 SER A 24 -15.390 1.673 -0.502 1.00 0.97 H new ATOM 0 HG SER A 24 -14.497 3.514 0.616 1.00 1.39 H new ATOM 349 N ASP A 25 -16.584 -0.275 -0.647 1.00 0.78 N ATOM 350 CA ASP A 25 -17.754 -0.871 -1.327 1.00 1.36 C ATOM 351 C ASP A 25 -17.497 -2.402 -1.316 1.00 1.12 C ATOM 352 O ASP A 25 -16.851 -2.864 -0.396 1.00 0.90 O ATOM 353 CB ASP A 25 -17.807 -0.238 -2.722 1.00 1.77 C ATOM 354 CG ASP A 25 -16.552 -0.619 -3.514 1.00 1.61 C ATOM 355 OD1 ASP A 25 -16.164 -1.774 -3.450 1.00 1.75 O ATOM 356 OD2 ASP A 25 -16.005 0.250 -4.171 1.00 2.39 O ATOM 0 H ASP A 25 -15.843 0.040 -1.273 1.00 0.78 H new ATOM 0 HA ASP A 25 -18.723 -0.692 -0.861 1.00 1.36 H new ATOM 0 HB2 ASP A 25 -18.698 -0.576 -3.251 1.00 1.77 H new ATOM 0 HB3 ASP A 25 -17.879 0.846 -2.637 1.00 1.77 H new ATOM 361 N PRO A 26 -17.953 -3.178 -2.281 1.00 1.20 N ATOM 362 CA PRO A 26 -17.677 -4.623 -2.251 1.00 1.04 C ATOM 363 C PRO A 26 -16.189 -4.841 -2.525 1.00 0.90 C ATOM 364 O PRO A 26 -15.710 -4.709 -3.634 1.00 1.04 O ATOM 365 CB PRO A 26 -18.604 -5.206 -3.322 1.00 1.19 C ATOM 366 CG PRO A 26 -18.982 -4.035 -4.254 1.00 1.43 C ATOM 367 CD PRO A 26 -18.735 -2.742 -3.453 1.00 1.49 C ATOM 0 HA PRO A 26 -17.869 -5.111 -1.295 1.00 1.04 H new ATOM 0 HB2 PRO A 26 -18.105 -5.999 -3.878 1.00 1.19 H new ATOM 0 HB3 PRO A 26 -19.493 -5.645 -2.869 1.00 1.19 H new ATOM 0 HG2 PRO A 26 -18.378 -4.051 -5.161 1.00 1.43 H new ATOM 0 HG3 PRO A 26 -20.025 -4.106 -4.564 1.00 1.43 H new ATOM 0 HD2 PRO A 26 -18.188 -2.007 -4.044 1.00 1.49 H new ATOM 0 HD3 PRO A 26 -19.673 -2.275 -3.153 1.00 1.49 H new ATOM 375 N CYS A 27 -15.457 -5.106 -1.473 1.00 0.84 N ATOM 376 CA CYS A 27 -13.975 -5.268 -1.566 1.00 0.69 C ATOM 377 C CYS A 27 -13.551 -6.317 -2.591 1.00 0.74 C ATOM 378 O CYS A 27 -13.201 -7.423 -2.232 1.00 0.69 O ATOM 379 CB CYS A 27 -13.415 -5.679 -0.197 1.00 0.55 C ATOM 380 SG CYS A 27 -11.685 -5.143 -0.057 1.00 1.63 S ATOM 0 H CYS A 27 -15.834 -5.219 -0.532 1.00 0.84 H new ATOM 0 HA CYS A 27 -13.577 -4.305 -1.887 1.00 0.69 H new ATOM 0 HB2 CYS A 27 -14.010 -5.232 0.599 1.00 0.55 H new ATOM 0 HB3 CYS A 27 -13.482 -6.760 -0.076 1.00 0.55 H new ATOM 385 N ILE A 28 -13.506 -5.985 -3.853 1.00 1.01 N ATOM 386 CA ILE A 28 -13.016 -6.994 -4.820 1.00 1.09 C ATOM 387 C ILE A 28 -11.496 -6.922 -4.801 1.00 0.91 C ATOM 388 O ILE A 28 -10.922 -5.876 -4.593 1.00 0.98 O ATOM 389 CB ILE A 28 -13.523 -6.730 -6.225 1.00 1.47 C ATOM 390 CG1 ILE A 28 -14.982 -6.262 -6.167 1.00 1.48 C ATOM 391 CG2 ILE A 28 -13.397 -8.039 -7.011 1.00 2.11 C ATOM 392 CD1 ILE A 28 -15.879 -7.285 -6.852 1.00 1.52 C ATOM 0 H ILE A 28 -13.780 -5.084 -4.244 1.00 1.01 H new ATOM 0 HA ILE A 28 -13.381 -7.981 -4.535 1.00 1.09 H new ATOM 0 HB ILE A 28 -12.944 -5.947 -6.714 1.00 1.47 H new ATOM 0 HG12 ILE A 28 -15.291 -6.131 -5.130 1.00 1.48 H new ATOM 0 HG13 ILE A 28 -15.082 -5.292 -6.655 1.00 1.48 H new ATOM 0 HG21 ILE A 28 -13.753 -7.887 -8.030 1.00 2.11 H new ATOM 0 HG22 ILE A 28 -12.353 -8.350 -7.034 1.00 2.11 H new ATOM 0 HG23 ILE A 28 -13.995 -8.812 -6.529 1.00 2.11 H new ATOM 0 HD11 ILE A 28 -16.915 -6.948 -6.808 1.00 1.52 H new ATOM 0 HD12 ILE A 28 -15.577 -7.394 -7.894 1.00 1.52 H new ATOM 0 HD13 ILE A 28 -15.788 -8.246 -6.345 1.00 1.52 H new ATOM 404 N ILE A 29 -10.833 -8.018 -4.964 1.00 0.72 N ATOM 405 CA ILE A 29 -9.355 -7.984 -4.882 1.00 0.69 C ATOM 406 C ILE A 29 -8.706 -8.293 -6.225 1.00 0.90 C ATOM 407 O ILE A 29 -9.365 -8.437 -7.234 1.00 1.11 O ATOM 408 CB ILE A 29 -8.943 -9.009 -3.849 1.00 0.46 C ATOM 409 CG1 ILE A 29 -10.169 -9.336 -2.996 1.00 0.35 C ATOM 410 CG2 ILE A 29 -7.824 -8.449 -2.968 1.00 0.50 C ATOM 411 CD1 ILE A 29 -9.715 -9.868 -1.641 1.00 0.33 C ATOM 0 H ILE A 29 -11.244 -8.933 -5.150 1.00 0.72 H new ATOM 0 HA ILE A 29 -9.023 -6.984 -4.601 1.00 0.69 H new ATOM 0 HB ILE A 29 -8.571 -9.909 -4.338 1.00 0.46 H new ATOM 0 HG12 ILE A 29 -10.781 -8.444 -2.862 1.00 0.35 H new ATOM 0 HG13 ILE A 29 -10.790 -10.076 -3.500 1.00 0.35 H new ATOM 0 HG21 ILE A 29 -7.535 -9.195 -2.228 1.00 0.50 H new ATOM 0 HG22 ILE A 29 -6.963 -8.201 -3.588 1.00 0.50 H new ATOM 0 HG23 ILE A 29 -8.176 -7.551 -2.460 1.00 0.50 H new ATOM 0 HD11 ILE A 29 -10.588 -10.102 -1.031 1.00 0.33 H new ATOM 0 HD12 ILE A 29 -9.121 -10.770 -1.785 1.00 0.33 H new ATOM 0 HD13 ILE A 29 -9.112 -9.113 -1.137 1.00 0.33 H new ATOM 423 N HIS A 30 -7.406 -8.368 -6.240 1.00 0.92 N ATOM 424 CA HIS A 30 -6.689 -8.638 -7.523 1.00 1.18 C ATOM 425 C HIS A 30 -5.730 -9.828 -7.385 1.00 1.25 C ATOM 426 O HIS A 30 -4.679 -9.727 -6.784 1.00 1.77 O ATOM 427 CB HIS A 30 -5.887 -7.399 -7.921 1.00 1.43 C ATOM 428 CG HIS A 30 -6.812 -6.222 -8.049 1.00 1.52 C ATOM 429 ND1 HIS A 30 -7.117 -5.658 -9.275 1.00 1.92 N ATOM 430 CD2 HIS A 30 -7.504 -5.491 -7.114 1.00 1.32 C ATOM 431 CE1 HIS A 30 -7.959 -4.632 -9.051 1.00 1.95 C ATOM 432 NE2 HIS A 30 -8.228 -4.487 -7.749 1.00 1.58 N ATOM 0 H HIS A 30 -6.807 -8.255 -5.423 1.00 0.92 H new ATOM 0 HA HIS A 30 -7.431 -8.877 -8.285 1.00 1.18 H new ATOM 0 HB2 HIS A 30 -5.121 -7.193 -7.173 1.00 1.43 H new ATOM 0 HB3 HIS A 30 -5.372 -7.574 -8.865 1.00 1.43 H new ATOM 0 HD2 HIS A 30 -7.488 -5.669 -6.049 1.00 1.32 H new ATOM 0 HE1 HIS A 30 -8.367 -4.003 -9.828 1.00 1.95 H new ATOM 0 HE2 HIS A 30 -8.834 -3.790 -7.315 1.00 1.58 H new ATOM 440 N ARG A 31 -6.077 -10.943 -7.970 1.00 1.55 N ATOM 441 CA ARG A 31 -5.175 -12.143 -7.913 1.00 1.51 C ATOM 442 C ARG A 31 -3.783 -11.746 -8.414 1.00 1.78 C ATOM 443 O ARG A 31 -3.645 -10.895 -9.270 1.00 2.10 O ATOM 444 CB ARG A 31 -5.705 -13.254 -8.821 1.00 1.55 C ATOM 445 CG ARG A 31 -6.655 -12.666 -9.853 1.00 1.63 C ATOM 446 CD ARG A 31 -6.647 -13.537 -11.105 1.00 1.50 C ATOM 447 NE ARG A 31 -6.087 -12.762 -12.244 1.00 1.69 N ATOM 448 CZ ARG A 31 -6.464 -13.035 -13.461 1.00 2.12 C ATOM 449 NH1 ARG A 31 -6.260 -14.225 -13.956 1.00 3.21 N ATOM 450 NH2 ARG A 31 -7.044 -12.119 -14.185 1.00 2.77 N ATOM 0 H ARG A 31 -6.946 -11.080 -8.487 1.00 1.55 H new ATOM 0 HA ARG A 31 -5.134 -12.499 -6.884 1.00 1.51 H new ATOM 0 HB2 ARG A 31 -4.876 -13.755 -9.320 1.00 1.55 H new ATOM 0 HB3 ARG A 31 -6.221 -14.008 -8.226 1.00 1.55 H new ATOM 0 HG2 ARG A 31 -7.664 -12.608 -9.444 1.00 1.63 H new ATOM 0 HG3 ARG A 31 -6.354 -11.649 -10.103 1.00 1.63 H new ATOM 0 HD2 ARG A 31 -6.051 -14.434 -10.933 1.00 1.50 H new ATOM 0 HD3 ARG A 31 -7.659 -13.867 -11.338 1.00 1.50 H new ATOM 0 HE ARG A 31 -5.410 -12.019 -12.073 1.00 1.69 H new ATOM 0 HH11 ARG A 31 -5.805 -14.942 -13.390 1.00 3.21 H new ATOM 0 HH12 ARG A 31 -6.555 -14.439 -14.909 1.00 3.21 H new ATOM 0 HH21 ARG A 31 -7.203 -11.188 -13.799 1.00 2.77 H new ATOM 0 HH22 ARG A 31 -7.339 -12.333 -15.138 1.00 2.77 H new ATOM 464 N GLY A 32 -2.751 -12.367 -7.911 1.00 1.72 N ATOM 465 CA GLY A 32 -1.377 -12.032 -8.390 1.00 2.00 C ATOM 466 C GLY A 32 -0.752 -10.942 -7.515 1.00 2.04 C ATOM 467 O GLY A 32 0.380 -10.550 -7.716 1.00 2.11 O ATOM 0 H GLY A 32 -2.798 -13.089 -7.192 1.00 1.72 H new ATOM 0 HA2 GLY A 32 -0.752 -12.925 -8.371 1.00 2.00 H new ATOM 0 HA3 GLY A 32 -1.419 -11.695 -9.426 1.00 2.00 H new ATOM 471 N LYS A 33 -1.472 -10.446 -6.547 1.00 2.01 N ATOM 472 CA LYS A 33 -0.904 -9.383 -5.670 1.00 2.06 C ATOM 473 C LYS A 33 -0.981 -9.833 -4.205 1.00 1.77 C ATOM 474 O LYS A 33 -1.956 -10.418 -3.789 1.00 1.45 O ATOM 475 CB LYS A 33 -1.704 -8.092 -5.856 1.00 2.05 C ATOM 476 CG LYS A 33 -0.878 -7.093 -6.671 1.00 2.36 C ATOM 477 CD LYS A 33 -0.310 -6.020 -5.742 1.00 1.23 C ATOM 478 CE LYS A 33 -1.170 -4.757 -5.834 1.00 1.85 C ATOM 479 NZ LYS A 33 -0.468 -3.736 -6.661 1.00 1.92 N ATOM 0 H LYS A 33 -2.426 -10.730 -6.325 1.00 2.01 H new ATOM 0 HA LYS A 33 0.138 -9.205 -5.937 1.00 2.06 H new ATOM 0 HB2 LYS A 33 -2.644 -8.304 -6.365 1.00 2.05 H new ATOM 0 HB3 LYS A 33 -1.957 -7.665 -4.885 1.00 2.05 H new ATOM 0 HG2 LYS A 33 -0.067 -7.610 -7.185 1.00 2.36 H new ATOM 0 HG3 LYS A 33 -1.500 -6.632 -7.439 1.00 2.36 H new ATOM 0 HD2 LYS A 33 -0.291 -6.386 -4.715 1.00 1.23 H new ATOM 0 HD3 LYS A 33 0.720 -5.793 -6.018 1.00 1.23 H new ATOM 0 HE2 LYS A 33 -2.138 -4.995 -6.275 1.00 1.85 H new ATOM 0 HE3 LYS A 33 -1.363 -4.362 -4.836 1.00 1.85 H new ATOM 0 HZ1 LYS A 33 -1.053 -2.878 -6.723 1.00 1.92 H new ATOM 0 HZ2 LYS A 33 0.445 -3.502 -6.222 1.00 1.92 H new ATOM 0 HZ3 LYS A 33 -0.306 -4.115 -7.616 1.00 1.92 H new ATOM 493 N PRO A 34 0.053 -9.542 -3.464 1.00 1.95 N ATOM 494 CA PRO A 34 0.135 -9.916 -2.042 1.00 1.86 C ATOM 495 C PRO A 34 -0.931 -9.189 -1.224 1.00 1.50 C ATOM 496 O PRO A 34 -1.165 -8.007 -1.383 1.00 1.94 O ATOM 497 CB PRO A 34 1.560 -9.521 -1.641 1.00 2.29 C ATOM 498 CG PRO A 34 2.027 -8.488 -2.689 1.00 2.51 C ATOM 499 CD PRO A 34 1.214 -8.788 -3.962 1.00 2.33 C ATOM 0 HA PRO A 34 -0.054 -10.974 -1.862 1.00 1.86 H new ATOM 0 HB2 PRO A 34 1.579 -9.095 -0.638 1.00 2.29 H new ATOM 0 HB3 PRO A 34 2.217 -10.390 -1.630 1.00 2.29 H new ATOM 0 HG2 PRO A 34 1.849 -7.470 -2.342 1.00 2.51 H new ATOM 0 HG3 PRO A 34 3.097 -8.578 -2.878 1.00 2.51 H new ATOM 0 HD2 PRO A 34 0.910 -7.872 -4.468 1.00 2.33 H new ATOM 0 HD3 PRO A 34 1.793 -9.371 -4.679 1.00 2.33 H new ATOM 507 N PHE A 35 -1.594 -9.916 -0.367 1.00 0.97 N ATOM 508 CA PHE A 35 -2.674 -9.322 0.461 1.00 0.71 C ATOM 509 C PHE A 35 -2.262 -9.350 1.931 1.00 1.06 C ATOM 510 O PHE A 35 -2.914 -9.961 2.752 1.00 1.33 O ATOM 511 CB PHE A 35 -3.935 -10.169 0.265 1.00 0.67 C ATOM 512 CG PHE A 35 -5.159 -9.439 0.763 1.00 0.61 C ATOM 513 CD1 PHE A 35 -5.300 -8.060 0.563 1.00 0.48 C ATOM 514 CD2 PHE A 35 -6.169 -10.157 1.415 1.00 0.69 C ATOM 515 CE1 PHE A 35 -6.453 -7.403 1.013 1.00 0.47 C ATOM 516 CE2 PHE A 35 -7.317 -9.501 1.868 1.00 0.66 C ATOM 517 CZ PHE A 35 -7.459 -8.125 1.666 1.00 0.55 C ATOM 0 H PHE A 35 -1.429 -10.909 -0.205 1.00 0.97 H new ATOM 0 HA PHE A 35 -2.859 -8.289 0.166 1.00 0.71 H new ATOM 0 HB2 PHE A 35 -4.055 -10.410 -0.791 1.00 0.67 H new ATOM 0 HB3 PHE A 35 -3.829 -11.114 0.797 1.00 0.67 H new ATOM 0 HD1 PHE A 35 -4.521 -7.504 0.063 1.00 0.48 H new ATOM 0 HD2 PHE A 35 -6.061 -11.221 1.568 1.00 0.69 H new ATOM 0 HE1 PHE A 35 -6.565 -6.340 0.856 1.00 0.47 H new ATOM 0 HE2 PHE A 35 -8.093 -10.056 2.373 1.00 0.66 H new ATOM 0 HZ PHE A 35 -8.347 -7.618 2.014 1.00 0.55 H new ATOM 527 N THR A 36 -1.186 -8.695 2.271 1.00 1.22 N ATOM 528 CA THR A 36 -0.743 -8.691 3.692 1.00 1.52 C ATOM 529 C THR A 36 -1.683 -7.803 4.506 1.00 1.26 C ATOM 530 O THR A 36 -1.394 -6.655 4.775 1.00 1.08 O ATOM 531 CB THR A 36 0.685 -8.150 3.790 1.00 1.78 C ATOM 532 OG1 THR A 36 1.547 -8.936 2.975 1.00 2.52 O ATOM 533 CG2 THR A 36 1.148 -8.219 5.245 1.00 1.90 C ATOM 0 H THR A 36 -0.597 -8.165 1.629 1.00 1.22 H new ATOM 0 HA THR A 36 -0.765 -9.708 4.083 1.00 1.52 H new ATOM 0 HB THR A 36 0.712 -7.116 3.447 1.00 1.78 H new ATOM 0 HG1 THR A 36 2.461 -8.589 3.036 1.00 2.52 H new ATOM 0 HG21 THR A 36 2.165 -7.835 5.322 1.00 1.90 H new ATOM 0 HG22 THR A 36 0.485 -7.617 5.867 1.00 1.90 H new ATOM 0 HG23 THR A 36 1.124 -9.254 5.586 1.00 1.90 H new ATOM 541 N LEU A 37 -2.809 -8.327 4.904 1.00 1.33 N ATOM 542 CA LEU A 37 -3.768 -7.517 5.699 1.00 1.24 C ATOM 543 C LEU A 37 -3.029 -6.919 6.894 1.00 1.37 C ATOM 544 O LEU A 37 -1.839 -7.103 7.050 1.00 1.90 O ATOM 545 CB LEU A 37 -4.917 -8.409 6.177 1.00 1.67 C ATOM 546 CG LEU A 37 -5.697 -8.922 4.962 1.00 2.39 C ATOM 547 CD1 LEU A 37 -5.335 -10.385 4.700 1.00 4.85 C ATOM 548 CD2 LEU A 37 -7.201 -8.812 5.232 1.00 1.94 C ATOM 0 H LEU A 37 -3.105 -9.284 4.711 1.00 1.33 H new ATOM 0 HA LEU A 37 -4.181 -6.714 5.089 1.00 1.24 H new ATOM 0 HB2 LEU A 37 -4.526 -9.247 6.754 1.00 1.67 H new ATOM 0 HB3 LEU A 37 -5.578 -7.848 6.838 1.00 1.67 H new ATOM 0 HG LEU A 37 -5.439 -8.321 4.090 1.00 2.39 H new ATOM 0 HD11 LEU A 37 -5.891 -10.748 3.835 1.00 4.85 H new ATOM 0 HD12 LEU A 37 -4.266 -10.466 4.504 1.00 4.85 H new ATOM 0 HD13 LEU A 37 -5.590 -10.985 5.573 1.00 4.85 H new ATOM 0 HD21 LEU A 37 -7.754 -9.177 4.367 1.00 1.94 H new ATOM 0 HD22 LEU A 37 -7.458 -9.410 6.106 1.00 1.94 H new ATOM 0 HD23 LEU A 37 -7.462 -7.770 5.416 1.00 1.94 H new ATOM 560 N GLU A 38 -3.711 -6.199 7.738 1.00 1.20 N ATOM 561 CA GLU A 38 -3.015 -5.597 8.906 1.00 1.23 C ATOM 562 C GLU A 38 -3.913 -4.548 9.559 1.00 1.23 C ATOM 563 O GLU A 38 -4.809 -4.010 8.942 1.00 1.36 O ATOM 564 CB GLU A 38 -1.727 -4.923 8.426 1.00 1.12 C ATOM 565 CG GLU A 38 -0.523 -5.778 8.818 1.00 1.59 C ATOM 566 CD GLU A 38 0.466 -5.841 7.652 1.00 1.20 C ATOM 567 OE1 GLU A 38 0.030 -5.698 6.521 1.00 0.78 O ATOM 568 OE2 GLU A 38 1.643 -6.031 7.910 1.00 2.70 O ATOM 0 H GLU A 38 -4.710 -6.003 7.671 1.00 1.20 H new ATOM 0 HA GLU A 38 -2.783 -6.377 9.631 1.00 1.23 H new ATOM 0 HB2 GLU A 38 -1.755 -4.791 7.344 1.00 1.12 H new ATOM 0 HB3 GLU A 38 -1.639 -3.930 8.866 1.00 1.12 H new ATOM 0 HG2 GLU A 38 -0.037 -5.357 9.698 1.00 1.59 H new ATOM 0 HG3 GLU A 38 -0.850 -6.783 9.085 1.00 1.59 H new ATOM 575 N ALA A 39 -3.661 -4.241 10.801 1.00 1.19 N ATOM 576 CA ALA A 39 -4.476 -3.211 11.501 1.00 1.15 C ATOM 577 C ALA A 39 -4.110 -3.192 12.983 1.00 1.07 C ATOM 578 O ALA A 39 -4.771 -3.785 13.811 1.00 0.63 O ATOM 579 CB ALA A 39 -5.960 -3.513 11.367 1.00 1.09 C ATOM 0 H ALA A 39 -2.922 -4.662 11.364 1.00 1.19 H new ATOM 0 HA ALA A 39 -4.268 -2.242 11.046 1.00 1.15 H new ATOM 0 HB1 ALA A 39 -6.536 -2.747 11.886 1.00 1.09 H new ATOM 0 HB2 ALA A 39 -6.236 -3.522 10.313 1.00 1.09 H new ATOM 0 HB3 ALA A 39 -6.174 -4.488 11.806 1.00 1.09 H new ATOM 585 N LEU A 40 -3.073 -2.497 13.310 1.00 1.49 N ATOM 586 CA LEU A 40 -2.637 -2.390 14.728 1.00 1.40 C ATOM 587 C LEU A 40 -3.479 -1.311 15.408 1.00 1.25 C ATOM 588 O LEU A 40 -4.085 -0.490 14.753 1.00 1.30 O ATOM 589 CB LEU A 40 -1.176 -1.929 14.762 1.00 1.54 C ATOM 590 CG LEU A 40 -0.242 -3.115 14.570 1.00 1.71 C ATOM 591 CD1 LEU A 40 -0.928 -4.179 13.708 1.00 1.49 C ATOM 592 CD2 LEU A 40 1.038 -2.642 13.876 1.00 2.17 C ATOM 0 H LEU A 40 -2.492 -1.985 12.646 1.00 1.49 H new ATOM 0 HA LEU A 40 -2.749 -3.352 15.228 1.00 1.40 H new ATOM 0 HB2 LEU A 40 -1.002 -1.191 13.979 1.00 1.54 H new ATOM 0 HB3 LEU A 40 -0.964 -1.441 15.713 1.00 1.54 H new ATOM 0 HG LEU A 40 0.004 -3.544 15.541 1.00 1.71 H new ATOM 0 HD11 LEU A 40 -0.256 -5.026 13.573 1.00 1.49 H new ATOM 0 HD12 LEU A 40 -1.840 -4.514 14.201 1.00 1.49 H new ATOM 0 HD13 LEU A 40 -1.177 -3.754 12.735 1.00 1.49 H new ATOM 0 HD21 LEU A 40 1.710 -3.489 13.736 1.00 2.17 H new ATOM 0 HD22 LEU A 40 0.788 -2.213 12.906 1.00 2.17 H new ATOM 0 HD23 LEU A 40 1.528 -1.887 14.491 1.00 2.17 H new ATOM 604 N PHE A 41 -3.472 -1.258 16.705 1.00 1.20 N ATOM 605 CA PHE A 41 -4.212 -0.171 17.408 1.00 1.04 C ATOM 606 C PHE A 41 -3.584 -0.009 18.773 1.00 0.82 C ATOM 607 O PHE A 41 -2.840 -0.850 19.221 1.00 0.82 O ATOM 608 CB PHE A 41 -5.726 -0.446 17.559 1.00 1.00 C ATOM 609 CG PHE A 41 -6.030 -1.921 17.647 1.00 0.97 C ATOM 610 CD1 PHE A 41 -6.042 -2.689 16.479 1.00 0.93 C ATOM 611 CD2 PHE A 41 -6.346 -2.517 18.889 1.00 1.01 C ATOM 612 CE1 PHE A 41 -6.361 -4.049 16.534 1.00 0.90 C ATOM 613 CE2 PHE A 41 -6.656 -3.882 18.938 1.00 1.02 C ATOM 614 CZ PHE A 41 -6.665 -4.645 17.761 1.00 0.95 C ATOM 0 H PHE A 41 -2.987 -1.918 17.313 1.00 1.20 H new ATOM 0 HA PHE A 41 -4.136 0.736 16.808 1.00 1.04 H new ATOM 0 HB2 PHE A 41 -6.097 0.054 18.454 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -6.258 -0.017 16.710 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -5.804 -2.230 15.531 1.00 0.93 H new ATOM 0 HD2 PHE A 41 -6.348 -1.925 19.792 1.00 1.01 H new ATOM 0 HE1 PHE A 41 -6.373 -4.639 15.629 1.00 0.90 H new ATOM 0 HE2 PHE A 41 -6.889 -4.348 19.884 1.00 1.02 H new ATOM 0 HZ PHE A 41 -6.908 -5.697 17.803 1.00 0.95 H new ATOM 624 N ASP A 42 -3.860 1.061 19.438 1.00 0.83 N ATOM 625 CA ASP A 42 -3.260 1.257 20.777 1.00 0.63 C ATOM 626 C ASP A 42 -4.364 1.298 21.795 1.00 0.50 C ATOM 627 O ASP A 42 -5.207 2.174 21.796 1.00 0.47 O ATOM 628 CB ASP A 42 -2.465 2.559 20.817 1.00 0.62 C ATOM 629 CG ASP A 42 -2.463 3.110 22.245 1.00 1.04 C ATOM 630 OD1 ASP A 42 -2.394 2.313 23.166 1.00 0.53 O ATOM 631 OD2 ASP A 42 -2.533 4.318 22.393 1.00 2.49 O ATOM 0 H ASP A 42 -4.473 1.810 19.117 1.00 0.83 H new ATOM 0 HA ASP A 42 -2.579 0.435 20.998 1.00 0.63 H new ATOM 0 HB2 ASP A 42 -1.443 2.384 20.482 1.00 0.62 H new ATOM 0 HB3 ASP A 42 -2.904 3.287 20.135 1.00 0.62 H new ATOM 636 N ALA A 43 -4.357 0.352 22.667 1.00 0.44 N ATOM 637 CA ALA A 43 -5.385 0.311 23.708 1.00 0.35 C ATOM 638 C ALA A 43 -5.497 1.716 24.294 1.00 0.24 C ATOM 639 O ALA A 43 -4.535 2.269 24.788 1.00 0.28 O ATOM 640 CB ALA A 43 -4.943 -0.702 24.750 1.00 0.40 C ATOM 0 H ALA A 43 -3.673 -0.404 22.702 1.00 0.44 H new ATOM 0 HA ALA A 43 -6.362 0.012 23.327 1.00 0.35 H new ATOM 0 HB1 ALA A 43 -5.689 -0.758 25.543 1.00 0.40 H new ATOM 0 HB2 ALA A 43 -4.836 -1.681 24.283 1.00 0.40 H new ATOM 0 HB3 ALA A 43 -3.986 -0.395 25.173 1.00 0.40 H new ATOM 646 N ASN A 44 -6.653 2.312 24.195 1.00 0.22 N ATOM 647 CA ASN A 44 -6.833 3.700 24.705 1.00 0.31 C ATOM 648 C ASN A 44 -8.078 3.749 25.580 1.00 0.36 C ATOM 649 O ASN A 44 -8.652 4.794 25.816 1.00 0.63 O ATOM 650 CB ASN A 44 -7.019 4.649 23.520 1.00 0.51 C ATOM 651 CG ASN A 44 -8.503 4.711 23.145 1.00 1.46 C ATOM 652 OD1 ASN A 44 -9.117 5.756 23.221 1.00 3.32 O ATOM 653 ND2 ASN A 44 -9.111 3.625 22.741 1.00 1.11 N ATOM 0 H ASN A 44 -7.486 1.894 23.780 1.00 0.22 H new ATOM 0 HA ASN A 44 -5.959 3.998 25.284 1.00 0.31 H new ATOM 0 HB2 ASN A 44 -6.656 5.644 23.777 1.00 0.51 H new ATOM 0 HB3 ASN A 44 -6.432 4.305 22.669 1.00 0.51 H new ATOM 0 HD21 ASN A 44 -10.099 3.657 22.490 1.00 1.11 H new ATOM 0 HD22 ASN A 44 -8.597 2.747 22.677 1.00 1.11 H new ATOM 660 N GLN A 45 -8.511 2.617 26.045 1.00 0.49 N ATOM 661 CA GLN A 45 -9.733 2.573 26.885 1.00 0.58 C ATOM 662 C GLN A 45 -9.373 2.253 28.330 1.00 0.55 C ATOM 663 O GLN A 45 -8.405 2.746 28.865 1.00 0.53 O ATOM 664 CB GLN A 45 -10.640 1.489 26.325 1.00 0.65 C ATOM 665 CG GLN A 45 -9.957 0.119 26.447 1.00 0.55 C ATOM 666 CD GLN A 45 -10.771 -0.911 25.648 1.00 0.68 C ATOM 667 OE1 GLN A 45 -10.459 -2.076 25.643 1.00 0.71 O ATOM 668 NE2 GLN A 45 -11.810 -0.527 24.953 1.00 0.82 N ATOM 0 H GLN A 45 -8.068 1.713 25.878 1.00 0.49 H new ATOM 0 HA GLN A 45 -10.235 3.540 26.870 1.00 0.58 H new ATOM 0 HB2 GLN A 45 -11.587 1.482 26.864 1.00 0.65 H new ATOM 0 HB3 GLN A 45 -10.869 1.699 25.280 1.00 0.65 H new ATOM 0 HG2 GLN A 45 -8.937 0.171 26.067 1.00 0.55 H new ATOM 0 HG3 GLN A 45 -9.893 -0.179 27.493 1.00 0.55 H new ATOM 0 HE21 GLN A 45 -12.086 0.455 24.948 1.00 0.82 H new ATOM 0 HE22 GLN A 45 -12.345 -1.210 24.416 1.00 0.82 H new ATOM 677 N ASN A 46 -10.157 1.435 28.963 1.00 0.65 N ATOM 678 CA ASN A 46 -9.881 1.066 30.370 1.00 0.78 C ATOM 679 C ASN A 46 -10.592 -0.255 30.675 1.00 1.06 C ATOM 680 O ASN A 46 -11.361 -0.335 31.613 1.00 1.14 O ATOM 681 CB ASN A 46 -10.459 2.129 31.296 1.00 0.87 C ATOM 682 CG ASN A 46 -9.408 3.194 31.605 1.00 1.77 C ATOM 683 OD1 ASN A 46 -9.611 4.360 31.328 1.00 1.78 O ATOM 684 ND2 ASN A 46 -8.292 2.845 32.183 1.00 3.98 N ATOM 0 H ASN A 46 -10.987 1.001 28.560 1.00 0.65 H new ATOM 0 HA ASN A 46 -8.805 0.978 30.520 1.00 0.78 H new ATOM 0 HB2 ASN A 46 -11.329 2.592 30.830 1.00 0.87 H new ATOM 0 HB3 ASN A 46 -10.801 1.667 32.222 1.00 0.87 H new ATOM 0 HD21 ASN A 46 -7.589 3.551 32.403 1.00 3.98 H new ATOM 0 HD22 ASN A 46 -8.122 1.866 32.415 1.00 3.98 H new ATOM 691 N THR A 47 -10.384 -1.290 29.898 1.00 1.28 N ATOM 692 CA THR A 47 -11.110 -2.556 30.190 1.00 1.61 C ATOM 693 C THR A 47 -10.161 -3.749 30.109 1.00 1.70 C ATOM 694 O THR A 47 -9.485 -3.951 29.121 1.00 1.48 O ATOM 695 CB THR A 47 -12.200 -2.738 29.145 1.00 1.67 C ATOM 696 OG1 THR A 47 -12.975 -3.890 29.454 1.00 2.09 O ATOM 697 CG2 THR A 47 -11.520 -2.910 27.793 1.00 1.31 C ATOM 0 H THR A 47 -9.757 -1.311 29.093 1.00 1.28 H new ATOM 0 HA THR A 47 -11.531 -2.502 31.194 1.00 1.61 H new ATOM 0 HB THR A 47 -12.865 -1.874 29.127 1.00 1.67 H new ATOM 0 HG1 THR A 47 -13.123 -4.413 28.639 1.00 2.09 H new ATOM 0 HG21 THR A 47 -12.276 -3.043 27.020 1.00 1.31 H new ATOM 0 HG22 THR A 47 -10.925 -2.025 27.570 1.00 1.31 H new ATOM 0 HG23 THR A 47 -10.871 -3.786 27.821 1.00 1.31 H new ATOM 705 N LYS A 48 -10.120 -4.557 31.124 1.00 2.09 N ATOM 706 CA LYS A 48 -9.231 -5.746 31.075 1.00 2.27 C ATOM 707 C LYS A 48 -9.803 -6.752 30.077 1.00 2.28 C ATOM 708 O LYS A 48 -9.121 -7.636 29.602 1.00 2.32 O ATOM 709 CB LYS A 48 -9.173 -6.408 32.438 1.00 2.69 C ATOM 710 CG LYS A 48 -10.593 -6.626 32.966 1.00 2.96 C ATOM 711 CD LYS A 48 -10.965 -8.099 32.835 1.00 4.12 C ATOM 712 CE LYS A 48 -10.281 -8.897 33.944 1.00 4.93 C ATOM 713 NZ LYS A 48 -9.336 -9.877 33.337 1.00 5.26 N ATOM 0 H LYS A 48 -10.660 -4.448 31.982 1.00 2.09 H new ATOM 0 HA LYS A 48 -8.231 -5.431 30.777 1.00 2.27 H new ATOM 0 HB2 LYS A 48 -8.650 -7.362 32.368 1.00 2.69 H new ATOM 0 HB3 LYS A 48 -8.608 -5.785 33.132 1.00 2.69 H new ATOM 0 HG2 LYS A 48 -10.656 -6.316 34.009 1.00 2.96 H new ATOM 0 HG3 LYS A 48 -11.298 -6.011 32.407 1.00 2.96 H new ATOM 0 HD2 LYS A 48 -12.046 -8.219 32.900 1.00 4.12 H new ATOM 0 HD3 LYS A 48 -10.660 -8.477 31.859 1.00 4.12 H new ATOM 0 HE2 LYS A 48 -9.745 -8.224 34.613 1.00 4.93 H new ATOM 0 HE3 LYS A 48 -11.026 -9.418 34.545 1.00 4.93 H new ATOM 0 HZ1 LYS A 48 -8.571 -10.084 34.010 1.00 5.26 H new ATOM 0 HZ2 LYS A 48 -9.845 -10.755 33.111 1.00 5.26 H new ATOM 0 HZ3 LYS A 48 -8.932 -9.476 32.466 1.00 5.26 H new ATOM 727 N THR A 49 -11.064 -6.630 29.783 1.00 2.29 N ATOM 728 CA THR A 49 -11.713 -7.581 28.840 1.00 2.35 C ATOM 729 C THR A 49 -11.282 -7.305 27.395 1.00 1.79 C ATOM 730 O THR A 49 -10.522 -6.400 27.113 1.00 1.66 O ATOM 731 CB THR A 49 -13.232 -7.438 28.947 1.00 2.69 C ATOM 732 OG1 THR A 49 -13.586 -6.066 28.842 1.00 2.43 O ATOM 733 CG2 THR A 49 -13.702 -7.990 30.292 1.00 3.19 C ATOM 0 H THR A 49 -11.679 -5.907 30.158 1.00 2.29 H new ATOM 0 HA THR A 49 -11.407 -8.593 29.105 1.00 2.35 H new ATOM 0 HB THR A 49 -13.709 -7.997 28.142 1.00 2.69 H new ATOM 0 HG1 THR A 49 -13.373 -5.608 29.682 1.00 2.43 H new ATOM 0 HG21 THR A 49 -14.785 -7.888 30.369 1.00 3.19 H new ATOM 0 HG22 THR A 49 -13.430 -9.043 30.368 1.00 3.19 H new ATOM 0 HG23 THR A 49 -13.227 -7.433 31.100 1.00 3.19 H new ATOM 741 N ALA A 50 -11.777 -8.101 26.489 1.00 1.48 N ATOM 742 CA ALA A 50 -11.440 -7.951 25.044 1.00 0.99 C ATOM 743 C ALA A 50 -12.142 -9.080 24.296 1.00 0.81 C ATOM 744 O ALA A 50 -12.078 -10.214 24.698 1.00 0.66 O ATOM 745 CB ALA A 50 -9.928 -8.079 24.848 1.00 0.80 C ATOM 0 H ALA A 50 -12.417 -8.868 26.694 1.00 1.48 H new ATOM 0 HA ALA A 50 -11.759 -6.976 24.674 1.00 0.99 H new ATOM 0 HB1 ALA A 50 -9.688 -7.969 23.791 1.00 0.80 H new ATOM 0 HB2 ALA A 50 -9.420 -7.302 25.419 1.00 0.80 H new ATOM 0 HB3 ALA A 50 -9.598 -9.058 25.195 1.00 0.80 H new ATOM 751 N LYS A 51 -12.836 -8.804 23.237 1.00 0.87 N ATOM 752 CA LYS A 51 -13.540 -9.914 22.537 1.00 0.76 C ATOM 753 C LYS A 51 -13.348 -9.784 21.041 1.00 0.97 C ATOM 754 O LYS A 51 -14.287 -9.847 20.274 1.00 3.08 O ATOM 755 CB LYS A 51 -15.007 -9.806 22.843 1.00 0.90 C ATOM 756 CG LYS A 51 -15.174 -8.783 23.955 1.00 0.63 C ATOM 757 CD LYS A 51 -16.591 -8.860 24.524 1.00 0.46 C ATOM 758 CE LYS A 51 -17.256 -7.487 24.428 1.00 0.52 C ATOM 759 NZ LYS A 51 -18.560 -7.618 23.720 1.00 1.34 N ATOM 0 H LYS A 51 -12.949 -7.877 22.827 1.00 0.87 H new ATOM 0 HA LYS A 51 -13.140 -10.872 22.870 1.00 0.76 H new ATOM 0 HB2 LYS A 51 -15.561 -9.500 21.956 1.00 0.90 H new ATOM 0 HB3 LYS A 51 -15.406 -10.773 23.150 1.00 0.90 H new ATOM 0 HG2 LYS A 51 -14.445 -8.968 24.744 1.00 0.63 H new ATOM 0 HG3 LYS A 51 -14.981 -7.781 23.572 1.00 0.63 H new ATOM 0 HD2 LYS A 51 -17.175 -9.598 23.974 1.00 0.46 H new ATOM 0 HD3 LYS A 51 -16.560 -9.188 25.563 1.00 0.46 H new ATOM 0 HE2 LYS A 51 -17.411 -7.075 25.425 1.00 0.52 H new ATOM 0 HE3 LYS A 51 -16.607 -6.793 23.893 1.00 0.52 H new ATOM 0 HZ1 LYS A 51 -19.014 -6.685 23.654 1.00 1.34 H new ATOM 0 HZ2 LYS A 51 -18.400 -7.994 22.764 1.00 1.34 H new ATOM 0 HZ3 LYS A 51 -19.178 -8.267 24.248 1.00 1.34 H new ATOM 773 N ILE A 52 -12.137 -9.591 20.654 1.00 1.25 N ATOM 774 CA ILE A 52 -11.788 -9.439 19.206 1.00 1.27 C ATOM 775 C ILE A 52 -12.787 -10.199 18.336 1.00 1.27 C ATOM 776 O ILE A 52 -13.293 -11.237 18.712 1.00 1.52 O ATOM 777 CB ILE A 52 -10.400 -10.012 18.953 1.00 1.60 C ATOM 778 CG1 ILE A 52 -9.956 -9.655 17.532 1.00 1.69 C ATOM 779 CG2 ILE A 52 -10.459 -11.532 19.103 1.00 1.83 C ATOM 780 CD1 ILE A 52 -8.485 -9.237 17.544 1.00 2.37 C ATOM 0 H ILE A 52 -11.340 -9.528 21.288 1.00 1.25 H new ATOM 0 HA ILE A 52 -11.814 -8.379 18.955 1.00 1.27 H new ATOM 0 HB ILE A 52 -9.689 -9.597 19.668 1.00 1.60 H new ATOM 0 HG12 ILE A 52 -10.096 -10.510 16.871 1.00 1.69 H new ATOM 0 HG13 ILE A 52 -10.572 -8.845 17.141 1.00 1.69 H new ATOM 0 HG21 ILE A 52 -9.470 -11.954 18.924 1.00 1.83 H new ATOM 0 HG22 ILE A 52 -10.785 -11.786 20.112 1.00 1.83 H new ATOM 0 HG23 ILE A 52 -11.165 -11.942 18.380 1.00 1.83 H new ATOM 0 HD11 ILE A 52 -8.171 -8.983 16.532 1.00 2.37 H new ATOM 0 HD12 ILE A 52 -8.359 -8.369 18.191 1.00 2.37 H new ATOM 0 HD13 ILE A 52 -7.876 -10.060 17.917 1.00 2.37 H new ATOM 792 N GLU A 53 -13.074 -9.689 17.173 1.00 1.08 N ATOM 793 CA GLU A 53 -14.042 -10.376 16.278 1.00 1.07 C ATOM 794 C GLU A 53 -13.520 -10.342 14.840 1.00 1.01 C ATOM 795 O GLU A 53 -13.901 -9.500 14.051 1.00 1.35 O ATOM 796 CB GLU A 53 -15.393 -9.662 16.356 1.00 0.90 C ATOM 797 CG GLU A 53 -16.486 -10.666 16.723 1.00 0.99 C ATOM 798 CD GLU A 53 -16.798 -10.552 18.217 1.00 1.82 C ATOM 799 OE1 GLU A 53 -17.609 -9.712 18.570 1.00 2.03 O ATOM 800 OE2 GLU A 53 -16.219 -11.306 18.982 1.00 3.09 O ATOM 0 H GLU A 53 -12.679 -8.824 16.803 1.00 1.08 H new ATOM 0 HA GLU A 53 -14.161 -11.413 16.591 1.00 1.07 H new ATOM 0 HB2 GLU A 53 -15.352 -8.866 17.100 1.00 0.90 H new ATOM 0 HB3 GLU A 53 -15.623 -9.193 15.399 1.00 0.90 H new ATOM 0 HG2 GLU A 53 -17.384 -10.473 16.137 1.00 0.99 H new ATOM 0 HG3 GLU A 53 -16.161 -11.678 16.484 1.00 0.99 H new ATOM 807 N ILE A 54 -12.653 -11.255 14.492 1.00 0.65 N ATOM 808 CA ILE A 54 -12.112 -11.281 13.103 1.00 0.58 C ATOM 809 C ILE A 54 -12.690 -12.471 12.363 1.00 0.60 C ATOM 810 O ILE A 54 -12.814 -13.544 12.900 1.00 0.87 O ATOM 811 CB ILE A 54 -10.608 -11.470 13.119 1.00 0.58 C ATOM 812 CG1 ILE A 54 -9.901 -10.185 13.517 1.00 0.60 C ATOM 813 CG2 ILE A 54 -10.150 -11.889 11.725 1.00 0.50 C ATOM 814 CD1 ILE A 54 -10.760 -9.402 14.509 1.00 0.70 C ATOM 0 H ILE A 54 -12.296 -11.984 15.110 1.00 0.65 H new ATOM 0 HA ILE A 54 -12.374 -10.338 12.623 1.00 0.58 H new ATOM 0 HB ILE A 54 -10.358 -12.238 13.850 1.00 0.58 H new ATOM 0 HG12 ILE A 54 -8.934 -10.416 13.964 1.00 0.60 H new ATOM 0 HG13 ILE A 54 -9.707 -9.578 12.633 1.00 0.60 H new ATOM 0 HG21 ILE A 54 -9.069 -12.028 11.724 1.00 0.50 H new ATOM 0 HG22 ILE A 54 -10.637 -12.824 11.448 1.00 0.50 H new ATOM 0 HG23 ILE A 54 -10.417 -11.114 11.006 1.00 0.50 H new ATOM 0 HD11 ILE A 54 -10.246 -8.483 14.789 1.00 0.70 H new ATOM 0 HD12 ILE A 54 -11.717 -9.157 14.048 1.00 0.70 H new ATOM 0 HD13 ILE A 54 -10.931 -10.007 15.399 1.00 0.70 H new ATOM 826 N LYS A 55 -12.996 -12.303 11.126 1.00 0.38 N ATOM 827 CA LYS A 55 -13.535 -13.441 10.336 1.00 0.44 C ATOM 828 C LYS A 55 -13.182 -13.243 8.870 1.00 0.32 C ATOM 829 O LYS A 55 -13.916 -12.639 8.115 1.00 0.39 O ATOM 830 CB LYS A 55 -15.049 -13.514 10.469 1.00 0.60 C ATOM 831 CG LYS A 55 -15.450 -13.917 11.896 1.00 0.77 C ATOM 832 CD LYS A 55 -16.324 -12.821 12.510 1.00 0.93 C ATOM 833 CE LYS A 55 -15.556 -11.497 12.539 1.00 1.04 C ATOM 834 NZ LYS A 55 -16.504 -10.390 12.849 1.00 1.15 N ATOM 0 H LYS A 55 -12.899 -11.425 10.615 1.00 0.38 H new ATOM 0 HA LYS A 55 -13.098 -14.366 10.713 1.00 0.44 H new ATOM 0 HB2 LYS A 55 -15.488 -12.547 10.222 1.00 0.60 H new ATOM 0 HB3 LYS A 55 -15.447 -14.236 9.756 1.00 0.60 H new ATOM 0 HG2 LYS A 55 -15.992 -14.862 11.879 1.00 0.77 H new ATOM 0 HG3 LYS A 55 -14.560 -14.071 12.506 1.00 0.77 H new ATOM 0 HD2 LYS A 55 -17.240 -12.707 11.931 1.00 0.93 H new ATOM 0 HD3 LYS A 55 -16.619 -13.103 13.521 1.00 0.93 H new ATOM 0 HE2 LYS A 55 -14.766 -11.537 13.289 1.00 1.04 H new ATOM 0 HE3 LYS A 55 -15.074 -11.321 11.577 1.00 1.04 H new ATOM 0 HZ1 LYS A 55 -15.998 -9.482 12.820 1.00 1.15 H new ATOM 0 HZ2 LYS A 55 -17.270 -10.382 12.146 1.00 1.15 H new ATOM 0 HZ3 LYS A 55 -16.906 -10.532 13.798 1.00 1.15 H new ATOM 848 N ALA A 56 -12.063 -13.747 8.465 1.00 0.24 N ATOM 849 CA ALA A 56 -11.646 -13.592 7.046 1.00 0.14 C ATOM 850 C ALA A 56 -11.738 -14.941 6.336 1.00 0.23 C ATOM 851 O ALA A 56 -11.486 -15.977 6.914 1.00 0.15 O ATOM 852 CB ALA A 56 -10.204 -13.084 6.995 1.00 0.22 C ATOM 0 H ALA A 56 -11.411 -14.264 9.055 1.00 0.24 H new ATOM 0 HA ALA A 56 -12.302 -12.878 6.549 1.00 0.14 H new ATOM 0 HB1 ALA A 56 -9.895 -12.969 5.956 1.00 0.22 H new ATOM 0 HB2 ALA A 56 -10.139 -12.121 7.501 1.00 0.22 H new ATOM 0 HB3 ALA A 56 -9.548 -13.799 7.491 1.00 0.22 H new ATOM 858 N SER A 57 -12.095 -14.942 5.083 1.00 0.46 N ATOM 859 CA SER A 57 -12.195 -16.231 4.344 1.00 0.62 C ATOM 860 C SER A 57 -11.386 -16.131 3.049 1.00 0.72 C ATOM 861 O SER A 57 -11.429 -15.133 2.357 1.00 0.95 O ATOM 862 CB SER A 57 -13.657 -16.527 4.012 1.00 0.67 C ATOM 863 OG SER A 57 -14.337 -16.923 5.198 1.00 2.44 O ATOM 0 H SER A 57 -12.321 -14.109 4.540 1.00 0.46 H new ATOM 0 HA SER A 57 -11.801 -17.036 4.964 1.00 0.62 H new ATOM 0 HB2 SER A 57 -14.131 -15.643 3.585 1.00 0.67 H new ATOM 0 HB3 SER A 57 -13.719 -17.316 3.262 1.00 0.67 H new ATOM 0 HG SER A 57 -15.276 -17.112 4.989 1.00 2.44 H new ATOM 869 N LEU A 58 -10.646 -17.152 2.719 1.00 0.63 N ATOM 870 CA LEU A 58 -9.830 -17.112 1.477 1.00 0.76 C ATOM 871 C LEU A 58 -9.982 -18.438 0.733 1.00 0.91 C ATOM 872 O LEU A 58 -10.329 -19.447 1.312 1.00 0.85 O ATOM 873 CB LEU A 58 -8.359 -16.916 1.856 1.00 0.71 C ATOM 874 CG LEU A 58 -7.678 -15.935 0.893 1.00 1.24 C ATOM 875 CD1 LEU A 58 -7.423 -16.619 -0.449 1.00 1.82 C ATOM 876 CD2 LEU A 58 -8.562 -14.700 0.691 1.00 1.68 C ATOM 0 H LEU A 58 -10.572 -18.014 3.258 1.00 0.63 H new ATOM 0 HA LEU A 58 -10.163 -16.293 0.840 1.00 0.76 H new ATOM 0 HB2 LEU A 58 -8.288 -16.540 2.877 1.00 0.71 H new ATOM 0 HB3 LEU A 58 -7.841 -17.875 1.833 1.00 0.71 H new ATOM 0 HG LEU A 58 -6.725 -15.621 1.320 1.00 1.24 H new ATOM 0 HD11 LEU A 58 -6.939 -15.918 -1.129 1.00 1.82 H new ATOM 0 HD12 LEU A 58 -6.777 -17.484 -0.300 1.00 1.82 H new ATOM 0 HD13 LEU A 58 -8.371 -16.944 -0.878 1.00 1.82 H new ATOM 0 HD21 LEU A 58 -8.071 -14.009 0.006 1.00 1.68 H new ATOM 0 HD22 LEU A 58 -9.522 -15.004 0.273 1.00 1.68 H new ATOM 0 HD23 LEU A 58 -8.723 -14.207 1.650 1.00 1.68 H new ATOM 888 N ASP A 59 -9.714 -18.448 -0.543 1.00 1.18 N ATOM 889 CA ASP A 59 -9.834 -19.721 -1.313 1.00 1.36 C ATOM 890 C ASP A 59 -9.099 -20.824 -0.550 1.00 1.21 C ATOM 891 O ASP A 59 -9.692 -21.779 -0.088 1.00 1.20 O ATOM 892 CB ASP A 59 -9.200 -19.550 -2.696 1.00 1.62 C ATOM 893 CG ASP A 59 -9.132 -20.909 -3.396 1.00 1.99 C ATOM 894 OD1 ASP A 59 -10.159 -21.357 -3.879 1.00 1.17 O ATOM 895 OD2 ASP A 59 -8.055 -21.480 -3.435 1.00 3.24 O ATOM 0 H ASP A 59 -9.419 -17.636 -1.085 1.00 1.18 H new ATOM 0 HA ASP A 59 -10.885 -19.983 -1.433 1.00 1.36 H new ATOM 0 HB2 ASP A 59 -9.785 -18.850 -3.292 1.00 1.62 H new ATOM 0 HB3 ASP A 59 -8.200 -19.128 -2.600 1.00 1.62 H new ATOM 900 N GLY A 60 -7.810 -20.687 -0.405 1.00 1.15 N ATOM 901 CA GLY A 60 -7.025 -21.711 0.339 1.00 1.02 C ATOM 902 C GLY A 60 -6.592 -21.122 1.683 1.00 0.98 C ATOM 903 O GLY A 60 -5.609 -21.532 2.268 1.00 1.02 O ATOM 0 H GLY A 60 -7.265 -19.907 -0.771 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -7.626 -22.606 0.496 1.00 1.02 H new ATOM 0 HA3 GLY A 60 -6.152 -22.011 -0.240 1.00 1.02 H new ATOM 907 N LEU A 61 -7.320 -20.152 2.175 1.00 0.93 N ATOM 908 CA LEU A 61 -6.955 -19.526 3.476 1.00 0.90 C ATOM 909 C LEU A 61 -8.231 -19.115 4.209 1.00 0.76 C ATOM 910 O LEU A 61 -8.501 -17.947 4.401 1.00 0.71 O ATOM 911 CB LEU A 61 -6.103 -18.286 3.221 1.00 0.87 C ATOM 912 CG LEU A 61 -4.799 -18.386 4.015 1.00 1.04 C ATOM 913 CD1 LEU A 61 -3.846 -17.271 3.580 1.00 3.44 C ATOM 914 CD2 LEU A 61 -5.101 -18.241 5.507 1.00 3.05 C ATOM 0 H LEU A 61 -8.153 -19.768 1.729 1.00 0.93 H new ATOM 0 HA LEU A 61 -6.393 -20.238 4.080 1.00 0.90 H new ATOM 0 HB2 LEU A 61 -5.886 -18.194 2.157 1.00 0.87 H new ATOM 0 HB3 LEU A 61 -6.651 -17.390 3.513 1.00 0.87 H new ATOM 0 HG LEU A 61 -4.334 -19.354 3.827 1.00 1.04 H new ATOM 0 HD11 LEU A 61 -2.918 -17.344 4.147 1.00 3.44 H new ATOM 0 HD12 LEU A 61 -3.630 -17.371 2.516 1.00 3.44 H new ATOM 0 HD13 LEU A 61 -4.310 -16.302 3.767 1.00 3.44 H new ATOM 0 HD21 LEU A 61 -4.173 -18.312 6.075 1.00 3.05 H new ATOM 0 HD22 LEU A 61 -5.566 -17.273 5.692 1.00 3.05 H new ATOM 0 HD23 LEU A 61 -5.779 -19.035 5.820 1.00 3.05 H new ATOM 926 N GLU A 62 -9.018 -20.069 4.612 1.00 0.77 N ATOM 927 CA GLU A 62 -10.285 -19.748 5.326 1.00 0.68 C ATOM 928 C GLU A 62 -9.975 -19.199 6.720 1.00 0.62 C ATOM 929 O GLU A 62 -10.025 -19.916 7.701 1.00 0.89 O ATOM 930 CB GLU A 62 -11.124 -21.021 5.460 1.00 0.81 C ATOM 931 CG GLU A 62 -12.042 -21.162 4.244 1.00 0.69 C ATOM 932 CD GLU A 62 -13.502 -21.142 4.703 1.00 0.94 C ATOM 933 OE1 GLU A 62 -13.742 -20.747 5.832 1.00 2.18 O ATOM 934 OE2 GLU A 62 -14.355 -21.522 3.918 1.00 0.83 O ATOM 0 H GLU A 62 -8.839 -21.064 4.478 1.00 0.77 H new ATOM 0 HA GLU A 62 -10.836 -18.997 4.760 1.00 0.68 H new ATOM 0 HB2 GLU A 62 -10.472 -21.891 5.539 1.00 0.81 H new ATOM 0 HB3 GLU A 62 -11.717 -20.983 6.374 1.00 0.81 H new ATOM 0 HG2 GLU A 62 -11.859 -20.349 3.541 1.00 0.69 H new ATOM 0 HG3 GLU A 62 -11.827 -22.093 3.719 1.00 0.69 H new ATOM 941 N ILE A 63 -9.672 -17.932 6.830 1.00 0.34 N ATOM 942 CA ILE A 63 -9.387 -17.368 8.178 1.00 0.30 C ATOM 943 C ILE A 63 -10.682 -17.405 8.992 1.00 0.29 C ATOM 944 O ILE A 63 -11.745 -17.668 8.468 1.00 0.27 O ATOM 945 CB ILE A 63 -8.892 -15.919 8.062 1.00 0.28 C ATOM 946 CG1 ILE A 63 -7.699 -15.843 7.093 1.00 0.33 C ATOM 947 CG2 ILE A 63 -8.460 -15.426 9.448 1.00 0.22 C ATOM 948 CD1 ILE A 63 -7.009 -14.477 7.235 1.00 0.31 C ATOM 0 H ILE A 63 -9.610 -17.272 6.054 1.00 0.34 H new ATOM 0 HA ILE A 63 -8.609 -17.956 8.666 1.00 0.30 H new ATOM 0 HB ILE A 63 -9.697 -15.292 7.679 1.00 0.28 H new ATOM 0 HG12 ILE A 63 -6.991 -16.644 7.307 1.00 0.33 H new ATOM 0 HG13 ILE A 63 -8.040 -15.985 6.068 1.00 0.33 H new ATOM 0 HG21 ILE A 63 -8.107 -14.397 9.375 1.00 0.22 H new ATOM 0 HG22 ILE A 63 -9.308 -15.471 10.131 1.00 0.22 H new ATOM 0 HG23 ILE A 63 -7.657 -16.059 9.825 1.00 0.22 H new ATOM 0 HD11 ILE A 63 -6.164 -14.423 6.549 1.00 0.31 H new ATOM 0 HD12 ILE A 63 -7.719 -13.684 6.999 1.00 0.31 H new ATOM 0 HD13 ILE A 63 -6.654 -14.353 8.258 1.00 0.31 H new ATOM 960 N ASP A 64 -10.607 -17.153 10.264 1.00 0.39 N ATOM 961 CA ASP A 64 -11.841 -17.183 11.093 1.00 0.41 C ATOM 962 C ASP A 64 -11.475 -16.956 12.560 1.00 0.48 C ATOM 963 O ASP A 64 -10.431 -17.373 13.021 1.00 0.48 O ATOM 964 CB ASP A 64 -12.521 -18.545 10.935 1.00 0.40 C ATOM 965 CG ASP A 64 -13.797 -18.388 10.107 1.00 0.53 C ATOM 966 OD1 ASP A 64 -14.506 -17.420 10.325 1.00 1.06 O ATOM 967 OD2 ASP A 64 -14.045 -19.239 9.267 1.00 0.39 O ATOM 0 H ASP A 64 -9.748 -16.928 10.766 1.00 0.39 H new ATOM 0 HA ASP A 64 -12.522 -16.397 10.767 1.00 0.41 H new ATOM 0 HB2 ASP A 64 -11.844 -19.247 10.448 1.00 0.40 H new ATOM 0 HB3 ASP A 64 -12.760 -18.960 11.914 1.00 0.40 H new ATOM 972 N VAL A 65 -12.325 -16.295 13.296 1.00 0.57 N ATOM 973 CA VAL A 65 -12.019 -16.039 14.729 1.00 0.67 C ATOM 974 C VAL A 65 -13.303 -16.099 15.557 1.00 0.75 C ATOM 975 O VAL A 65 -13.713 -15.117 16.144 1.00 0.95 O ATOM 976 CB VAL A 65 -11.396 -14.658 14.867 1.00 0.80 C ATOM 977 CG1 VAL A 65 -10.840 -14.498 16.279 1.00 1.00 C ATOM 978 CG2 VAL A 65 -10.261 -14.515 13.852 1.00 0.69 C ATOM 0 H VAL A 65 -13.216 -15.922 12.967 1.00 0.57 H new ATOM 0 HA VAL A 65 -11.325 -16.798 15.090 1.00 0.67 H new ATOM 0 HB VAL A 65 -12.149 -13.892 14.682 1.00 0.80 H new ATOM 0 HG11 VAL A 65 -10.392 -13.510 16.384 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -11.647 -14.609 17.003 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -10.083 -15.261 16.460 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -9.811 -13.527 13.946 1.00 0.69 H new ATOM 0 HG22 VAL A 65 -9.505 -15.278 14.041 1.00 0.69 H new ATOM 0 HG23 VAL A 65 -10.657 -14.639 12.844 1.00 0.69 H new ATOM 988 N PRO A 66 -13.887 -17.258 15.579 1.00 0.60 N ATOM 989 CA PRO A 66 -15.125 -17.514 16.327 1.00 0.69 C ATOM 990 C PRO A 66 -14.817 -17.715 17.811 1.00 0.74 C ATOM 991 O PRO A 66 -14.503 -18.805 18.247 1.00 2.03 O ATOM 992 CB PRO A 66 -15.653 -18.805 15.714 1.00 0.56 C ATOM 993 CG PRO A 66 -14.435 -19.513 15.070 1.00 0.36 C ATOM 994 CD PRO A 66 -13.362 -18.425 14.852 1.00 0.39 C ATOM 0 HA PRO A 66 -15.838 -16.692 16.267 1.00 0.69 H new ATOM 0 HB2 PRO A 66 -16.112 -19.437 16.474 1.00 0.56 H new ATOM 0 HB3 PRO A 66 -16.420 -18.596 14.968 1.00 0.56 H new ATOM 0 HG2 PRO A 66 -14.059 -20.305 15.718 1.00 0.36 H new ATOM 0 HG3 PRO A 66 -14.712 -19.980 14.125 1.00 0.36 H new ATOM 0 HD2 PRO A 66 -12.393 -18.736 15.242 1.00 0.39 H new ATOM 0 HD3 PRO A 66 -13.224 -18.207 13.793 1.00 0.39 H new ATOM 1002 N GLY A 67 -14.915 -16.670 18.581 1.00 1.13 N ATOM 1003 CA GLY A 67 -14.637 -16.768 20.048 1.00 1.06 C ATOM 1004 C GLY A 67 -13.487 -17.747 20.302 1.00 1.01 C ATOM 1005 O GLY A 67 -13.566 -18.603 21.162 1.00 0.97 O ATOM 0 H GLY A 67 -15.179 -15.739 18.257 1.00 1.13 H new ATOM 0 HA2 GLY A 67 -14.382 -15.785 20.444 1.00 1.06 H new ATOM 0 HA3 GLY A 67 -15.532 -17.101 20.574 1.00 1.06 H new ATOM 1009 N ILE A 68 -12.419 -17.627 19.563 1.00 1.13 N ATOM 1010 CA ILE A 68 -11.265 -18.550 19.759 1.00 1.08 C ATOM 1011 C ILE A 68 -10.680 -18.355 21.159 1.00 1.05 C ATOM 1012 O ILE A 68 -10.875 -19.168 22.041 1.00 1.36 O ATOM 1013 CB ILE A 68 -10.192 -18.253 18.708 1.00 1.07 C ATOM 1014 CG1 ILE A 68 -10.455 -19.097 17.458 1.00 0.80 C ATOM 1015 CG2 ILE A 68 -8.810 -18.592 19.271 1.00 1.58 C ATOM 1016 CD1 ILE A 68 -10.212 -20.574 17.777 1.00 1.90 C ATOM 0 H ILE A 68 -12.295 -16.928 18.830 1.00 1.13 H new ATOM 0 HA ILE A 68 -11.604 -19.581 19.652 1.00 1.08 H new ATOM 0 HB ILE A 68 -10.225 -17.195 18.448 1.00 1.07 H new ATOM 0 HG12 ILE A 68 -11.480 -18.952 17.118 1.00 0.80 H new ATOM 0 HG13 ILE A 68 -9.801 -18.777 16.646 1.00 0.80 H new ATOM 0 HG21 ILE A 68 -8.049 -18.379 18.520 1.00 1.58 H new ATOM 0 HG22 ILE A 68 -8.621 -17.990 20.160 1.00 1.58 H new ATOM 0 HG23 ILE A 68 -8.774 -19.649 19.535 1.00 1.58 H new ATOM 0 HD11 ILE A 68 -10.399 -21.174 16.887 1.00 1.90 H new ATOM 0 HD12 ILE A 68 -9.179 -20.712 18.097 1.00 1.90 H new ATOM 0 HD13 ILE A 68 -10.884 -20.889 18.575 1.00 1.90 H new ATOM 1028 N ASP A 69 -9.960 -17.287 21.373 1.00 0.78 N ATOM 1029 CA ASP A 69 -9.367 -17.056 22.719 1.00 0.78 C ATOM 1030 C ASP A 69 -10.444 -16.532 23.663 1.00 0.89 C ATOM 1031 O ASP A 69 -11.491 -16.080 23.242 1.00 1.67 O ATOM 1032 CB ASP A 69 -8.231 -16.037 22.623 1.00 0.84 C ATOM 1033 CG ASP A 69 -8.732 -14.766 21.939 1.00 0.93 C ATOM 1034 OD1 ASP A 69 -8.883 -14.784 20.730 1.00 0.91 O ATOM 1035 OD2 ASP A 69 -8.950 -13.793 22.637 1.00 1.82 O ATOM 0 H ASP A 69 -9.758 -16.569 20.677 1.00 0.78 H new ATOM 0 HA ASP A 69 -8.969 -17.996 23.101 1.00 0.78 H new ATOM 0 HB2 ASP A 69 -7.856 -15.801 23.619 1.00 0.84 H new ATOM 0 HB3 ASP A 69 -7.398 -16.459 22.061 1.00 0.84 H new ATOM 1040 N THR A 70 -10.199 -16.601 24.939 1.00 0.83 N ATOM 1041 CA THR A 70 -11.209 -16.120 25.920 1.00 0.77 C ATOM 1042 C THR A 70 -11.556 -14.653 25.650 1.00 0.47 C ATOM 1043 O THR A 70 -12.707 -14.307 25.483 1.00 1.07 O ATOM 1044 CB THR A 70 -10.658 -16.255 27.345 1.00 1.18 C ATOM 1045 OG1 THR A 70 -9.320 -16.730 27.301 1.00 0.65 O ATOM 1046 CG2 THR A 70 -11.520 -17.236 28.140 1.00 2.51 C ATOM 0 H THR A 70 -9.340 -16.971 25.347 1.00 0.83 H new ATOM 0 HA THR A 70 -12.109 -16.726 25.816 1.00 0.77 H new ATOM 0 HB THR A 70 -10.679 -15.279 27.829 1.00 1.18 H new ATOM 0 HG1 THR A 70 -8.972 -16.813 28.213 1.00 0.65 H new ATOM 0 HG21 THR A 70 -11.126 -17.330 29.152 1.00 2.51 H new ATOM 0 HG22 THR A 70 -12.545 -16.868 28.183 1.00 2.51 H new ATOM 0 HG23 THR A 70 -11.505 -18.211 27.653 1.00 2.51 H new ATOM 1054 N ASN A 71 -10.581 -13.780 25.625 1.00 0.77 N ATOM 1055 CA ASN A 71 -10.895 -12.338 25.396 1.00 0.43 C ATOM 1056 C ASN A 71 -9.776 -11.637 24.635 1.00 0.36 C ATOM 1057 O ASN A 71 -8.905 -11.018 25.214 1.00 0.30 O ATOM 1058 CB ASN A 71 -11.085 -11.650 26.753 1.00 0.80 C ATOM 1059 CG ASN A 71 -11.787 -12.601 27.725 1.00 0.72 C ATOM 1060 OD1 ASN A 71 -11.219 -12.999 28.722 1.00 3.05 O ATOM 1061 ND2 ASN A 71 -13.010 -12.983 27.478 1.00 1.33 N ATOM 0 H ASN A 71 -9.593 -14.000 25.752 1.00 0.77 H new ATOM 0 HA ASN A 71 -11.804 -12.275 24.799 1.00 0.43 H new ATOM 0 HB2 ASN A 71 -10.118 -11.351 27.158 1.00 0.80 H new ATOM 0 HB3 ASN A 71 -11.674 -10.741 26.630 1.00 0.80 H new ATOM 0 HD21 ASN A 71 -13.487 -13.614 28.122 1.00 1.33 H new ATOM 0 HD22 ASN A 71 -13.489 -12.650 26.641 1.00 1.33 H new ATOM 1068 N ALA A 72 -9.840 -11.682 23.335 1.00 0.40 N ATOM 1069 CA ALA A 72 -8.840 -10.965 22.500 1.00 0.36 C ATOM 1070 C ALA A 72 -7.439 -11.017 23.113 1.00 0.30 C ATOM 1071 O ALA A 72 -6.629 -10.138 22.897 1.00 0.22 O ATOM 1072 CB ALA A 72 -9.298 -9.524 22.445 1.00 0.38 C ATOM 0 H ALA A 72 -10.551 -12.191 22.810 1.00 0.40 H new ATOM 0 HA ALA A 72 -8.777 -11.429 21.516 1.00 0.36 H new ATOM 0 HB1 ALA A 72 -8.600 -8.943 21.842 1.00 0.38 H new ATOM 0 HB2 ALA A 72 -10.291 -9.475 21.999 1.00 0.38 H new ATOM 0 HB3 ALA A 72 -9.333 -9.115 23.455 1.00 0.38 H new ATOM 1078 N CYS A 73 -7.146 -12.016 23.882 1.00 0.34 N ATOM 1079 CA CYS A 73 -5.795 -12.087 24.508 1.00 0.31 C ATOM 1080 C CYS A 73 -4.871 -13.034 23.730 1.00 0.31 C ATOM 1081 O CYS A 73 -3.730 -13.226 24.098 1.00 1.00 O ATOM 1082 CB CYS A 73 -5.918 -12.575 25.949 1.00 0.44 C ATOM 1083 SG CYS A 73 -4.477 -12.002 26.881 1.00 1.14 S ATOM 0 H CYS A 73 -7.775 -12.786 24.108 1.00 0.34 H new ATOM 0 HA CYS A 73 -5.362 -11.087 24.489 1.00 0.31 H new ATOM 0 HB2 CYS A 73 -6.835 -12.195 26.400 1.00 0.44 H new ATOM 0 HB3 CYS A 73 -5.977 -13.663 25.976 1.00 0.44 H new ATOM 1088 N HIS A 74 -5.337 -13.625 22.662 1.00 0.93 N ATOM 1089 CA HIS A 74 -4.452 -14.549 21.886 1.00 0.93 C ATOM 1090 C HIS A 74 -3.713 -13.764 20.800 1.00 1.06 C ATOM 1091 O HIS A 74 -2.616 -14.107 20.406 1.00 1.30 O ATOM 1092 CB HIS A 74 -5.294 -15.641 21.228 1.00 1.36 C ATOM 1093 CG HIS A 74 -5.140 -16.924 22.000 1.00 1.20 C ATOM 1094 ND1 HIS A 74 -4.887 -18.136 21.379 1.00 0.81 N ATOM 1095 CD2 HIS A 74 -5.197 -17.196 23.345 1.00 2.47 C ATOM 1096 CE1 HIS A 74 -4.802 -19.074 22.341 1.00 1.85 C ATOM 1097 NE2 HIS A 74 -4.985 -18.555 23.558 1.00 2.98 N ATOM 0 H HIS A 74 -6.282 -13.511 22.294 1.00 0.93 H new ATOM 0 HA HIS A 74 -3.731 -15.003 22.566 1.00 0.93 H new ATOM 0 HB2 HIS A 74 -6.342 -15.342 21.203 1.00 1.36 H new ATOM 0 HB3 HIS A 74 -4.979 -15.785 20.195 1.00 1.36 H new ATOM 0 HD2 HIS A 74 -5.379 -16.466 24.120 1.00 2.47 H new ATOM 0 HE1 HIS A 74 -4.609 -20.120 22.152 1.00 1.85 H new ATOM 0 HE2 HIS A 74 -4.972 -19.048 24.451 1.00 2.98 H new ATOM 1105 N PHE A 75 -4.312 -12.714 20.311 1.00 1.11 N ATOM 1106 CA PHE A 75 -3.658 -11.900 19.247 1.00 1.41 C ATOM 1107 C PHE A 75 -3.104 -10.618 19.862 1.00 1.31 C ATOM 1108 O PHE A 75 -2.789 -9.675 19.164 1.00 1.61 O ATOM 1109 CB PHE A 75 -4.702 -11.520 18.191 1.00 1.73 C ATOM 1110 CG PHE A 75 -5.463 -12.750 17.752 1.00 1.58 C ATOM 1111 CD1 PHE A 75 -6.434 -13.313 18.591 1.00 1.69 C ATOM 1112 CD2 PHE A 75 -5.202 -13.323 16.502 1.00 1.38 C ATOM 1113 CE1 PHE A 75 -7.142 -14.448 18.179 1.00 1.62 C ATOM 1114 CE2 PHE A 75 -5.912 -14.458 16.089 1.00 1.27 C ATOM 1115 CZ PHE A 75 -6.881 -15.020 16.928 1.00 1.41 C ATOM 0 H PHE A 75 -5.231 -12.383 20.604 1.00 1.11 H new ATOM 0 HA PHE A 75 -2.853 -12.477 18.792 1.00 1.41 H new ATOM 0 HB2 PHE A 75 -5.392 -10.781 18.599 1.00 1.73 H new ATOM 0 HB3 PHE A 75 -4.213 -11.059 17.333 1.00 1.73 H new ATOM 0 HD1 PHE A 75 -6.636 -12.871 19.556 1.00 1.69 H new ATOM 0 HD2 PHE A 75 -4.453 -12.890 15.856 1.00 1.38 H new ATOM 0 HE1 PHE A 75 -7.890 -14.883 18.826 1.00 1.62 H new ATOM 0 HE2 PHE A 75 -5.712 -14.899 15.124 1.00 1.27 H new ATOM 0 HZ PHE A 75 -7.428 -15.895 16.610 1.00 1.41 H new ATOM 1125 N VAL A 76 -3.020 -10.561 21.162 1.00 1.16 N ATOM 1126 CA VAL A 76 -2.535 -9.314 21.818 1.00 1.28 C ATOM 1127 C VAL A 76 -2.571 -9.489 23.340 1.00 1.07 C ATOM 1128 O VAL A 76 -2.347 -10.562 23.867 1.00 1.19 O ATOM 1129 CB VAL A 76 -3.505 -8.203 21.408 1.00 1.41 C ATOM 1130 CG1 VAL A 76 -4.807 -8.357 22.205 1.00 2.55 C ATOM 1131 CG2 VAL A 76 -2.878 -6.820 21.639 1.00 1.94 C ATOM 0 H VAL A 76 -3.265 -11.321 21.797 1.00 1.16 H new ATOM 0 HA VAL A 76 -1.513 -9.080 21.521 1.00 1.28 H new ATOM 0 HB VAL A 76 -3.724 -8.287 20.344 1.00 1.41 H new ATOM 0 HG11 VAL A 76 -5.504 -7.569 21.919 1.00 2.55 H new ATOM 0 HG12 VAL A 76 -5.251 -9.329 21.992 1.00 2.55 H new ATOM 0 HG13 VAL A 76 -4.592 -8.282 23.271 1.00 2.55 H new ATOM 0 HG21 VAL A 76 -3.585 -6.046 21.341 1.00 1.94 H new ATOM 0 HG22 VAL A 76 -2.635 -6.702 22.695 1.00 1.94 H new ATOM 0 HG23 VAL A 76 -1.968 -6.729 21.045 1.00 1.94 H new ATOM 1141 N LYS A 77 -2.911 -8.444 24.033 1.00 1.43 N ATOM 1142 CA LYS A 77 -3.043 -8.512 25.506 1.00 1.74 C ATOM 1143 C LYS A 77 -4.534 -8.669 25.796 1.00 1.59 C ATOM 1144 O LYS A 77 -5.359 -8.337 24.969 1.00 1.94 O ATOM 1145 CB LYS A 77 -2.539 -7.206 26.128 1.00 2.30 C ATOM 1146 CG LYS A 77 -1.026 -7.278 26.351 1.00 3.36 C ATOM 1147 CD LYS A 77 -0.307 -7.364 25.002 1.00 2.01 C ATOM 1148 CE LYS A 77 0.664 -6.190 24.867 1.00 1.79 C ATOM 1149 NZ LYS A 77 1.841 -6.607 24.053 1.00 1.87 N ATOM 0 H LYS A 77 -3.107 -7.528 23.630 1.00 1.43 H new ATOM 0 HA LYS A 77 -2.464 -9.337 25.920 1.00 1.74 H new ATOM 0 HB2 LYS A 77 -2.778 -6.367 25.475 1.00 2.30 H new ATOM 0 HB3 LYS A 77 -3.046 -7.026 27.076 1.00 2.30 H new ATOM 0 HG2 LYS A 77 -0.688 -6.398 26.899 1.00 3.36 H new ATOM 0 HG3 LYS A 77 -0.780 -8.147 26.961 1.00 3.36 H new ATOM 0 HD2 LYS A 77 0.233 -8.308 24.925 1.00 2.01 H new ATOM 0 HD3 LYS A 77 -1.033 -7.345 24.189 1.00 2.01 H new ATOM 0 HE2 LYS A 77 0.164 -5.344 24.396 1.00 1.79 H new ATOM 0 HE3 LYS A 77 0.990 -5.859 25.853 1.00 1.79 H new ATOM 0 HZ1 LYS A 77 2.501 -5.808 23.962 1.00 1.87 H new ATOM 0 HZ2 LYS A 77 2.322 -7.402 24.520 1.00 1.87 H new ATOM 0 HZ3 LYS A 77 1.522 -6.903 23.108 1.00 1.87 H new ATOM 1163 N CYS A 78 -4.910 -9.163 26.938 1.00 1.87 N ATOM 1164 CA CYS A 78 -6.374 -9.302 27.195 1.00 1.59 C ATOM 1165 C CYS A 78 -6.939 -7.966 27.658 1.00 1.61 C ATOM 1166 O CYS A 78 -7.928 -7.511 27.128 1.00 1.44 O ATOM 1167 CB CYS A 78 -6.687 -10.390 28.240 1.00 1.81 C ATOM 1168 SG CYS A 78 -5.218 -11.373 28.653 1.00 2.17 S ATOM 0 H CYS A 78 -4.291 -9.470 27.688 1.00 1.87 H new ATOM 0 HA CYS A 78 -6.843 -9.607 26.260 1.00 1.59 H new ATOM 0 HB2 CYS A 78 -7.078 -9.923 29.144 1.00 1.81 H new ATOM 0 HB3 CYS A 78 -7.468 -11.047 27.857 1.00 1.81 H new ATOM 1173 N PRO A 79 -6.296 -7.349 28.607 1.00 1.81 N ATOM 1174 CA PRO A 79 -6.744 -6.049 29.089 1.00 1.86 C ATOM 1175 C PRO A 79 -6.315 -5.008 28.064 1.00 1.62 C ATOM 1176 O PRO A 79 -5.142 -4.797 27.844 1.00 1.63 O ATOM 1177 CB PRO A 79 -6.019 -5.879 30.422 1.00 2.18 C ATOM 1178 CG PRO A 79 -4.798 -6.816 30.372 1.00 2.29 C ATOM 1179 CD PRO A 79 -5.083 -7.862 29.275 1.00 2.05 C ATOM 0 HA PRO A 79 -7.821 -5.951 29.222 1.00 1.86 H new ATOM 0 HB2 PRO A 79 -5.709 -4.844 30.567 1.00 2.18 H new ATOM 0 HB3 PRO A 79 -6.673 -6.136 31.256 1.00 2.18 H new ATOM 0 HG2 PRO A 79 -3.890 -6.256 30.146 1.00 2.29 H new ATOM 0 HG3 PRO A 79 -4.642 -7.300 31.336 1.00 2.29 H new ATOM 0 HD2 PRO A 79 -4.249 -7.949 28.579 1.00 2.05 H new ATOM 0 HD3 PRO A 79 -5.248 -8.852 29.699 1.00 2.05 H new ATOM 1187 N LEU A 80 -7.242 -4.364 27.417 1.00 1.39 N ATOM 1188 CA LEU A 80 -6.853 -3.363 26.403 1.00 1.11 C ATOM 1189 C LEU A 80 -6.637 -2.067 27.139 1.00 0.85 C ATOM 1190 O LEU A 80 -5.521 -1.624 27.331 1.00 0.83 O ATOM 1191 CB LEU A 80 -7.981 -3.215 25.407 1.00 0.99 C ATOM 1192 CG LEU A 80 -8.014 -4.403 24.435 1.00 1.14 C ATOM 1193 CD1 LEU A 80 -7.651 -3.906 23.024 1.00 1.07 C ATOM 1194 CD2 LEU A 80 -7.028 -5.516 24.869 1.00 1.33 C ATOM 0 H LEU A 80 -8.246 -4.490 27.549 1.00 1.39 H new ATOM 0 HA LEU A 80 -5.951 -3.655 25.865 1.00 1.11 H new ATOM 0 HB2 LEU A 80 -8.932 -3.146 25.936 1.00 0.99 H new ATOM 0 HB3 LEU A 80 -7.859 -2.287 24.849 1.00 0.99 H new ATOM 0 HG LEU A 80 -9.018 -4.828 24.439 1.00 1.14 H new ATOM 0 HD11 LEU A 80 -7.672 -4.743 22.327 1.00 1.07 H new ATOM 0 HD12 LEU A 80 -8.372 -3.152 22.707 1.00 1.07 H new ATOM 0 HD13 LEU A 80 -6.652 -3.470 23.038 1.00 1.07 H new ATOM 0 HD21 LEU A 80 -7.076 -6.342 24.159 1.00 1.33 H new ATOM 0 HD22 LEU A 80 -6.014 -5.116 24.891 1.00 1.33 H new ATOM 0 HD23 LEU A 80 -7.298 -5.875 25.862 1.00 1.33 H new ATOM 1206 N VAL A 81 -7.691 -1.493 27.633 1.00 0.74 N ATOM 1207 CA VAL A 81 -7.509 -0.286 28.440 1.00 0.47 C ATOM 1208 C VAL A 81 -6.617 0.699 27.681 1.00 0.27 C ATOM 1209 O VAL A 81 -6.267 0.475 26.544 1.00 0.35 O ATOM 1210 CB VAL A 81 -6.829 -0.813 29.684 1.00 0.22 C ATOM 1211 CG1 VAL A 81 -6.272 0.295 30.576 1.00 2.81 C ATOM 1212 CG2 VAL A 81 -7.823 -1.671 30.466 1.00 2.91 C ATOM 0 H VAL A 81 -8.653 -1.809 27.510 1.00 0.74 H new ATOM 0 HA VAL A 81 -8.430 0.251 28.668 1.00 0.47 H new ATOM 0 HB VAL A 81 -5.974 -1.409 29.366 1.00 0.22 H new ATOM 0 HG11 VAL A 81 -5.797 -0.147 31.452 1.00 2.81 H new ATOM 0 HG12 VAL A 81 -5.537 0.876 30.019 1.00 2.81 H new ATOM 0 HG13 VAL A 81 -7.084 0.948 30.895 1.00 2.81 H new ATOM 0 HG21 VAL A 81 -7.342 -2.056 31.365 1.00 2.91 H new ATOM 0 HG22 VAL A 81 -8.685 -1.065 30.746 1.00 2.91 H new ATOM 0 HG23 VAL A 81 -8.152 -2.504 29.845 1.00 2.91 H new ATOM 1222 N LYS A 82 -6.263 1.784 28.288 1.00 0.09 N ATOM 1223 CA LYS A 82 -5.409 2.788 27.602 1.00 0.18 C ATOM 1224 C LYS A 82 -3.980 2.710 28.135 1.00 0.31 C ATOM 1225 O LYS A 82 -3.387 3.716 28.478 1.00 0.38 O ATOM 1226 CB LYS A 82 -5.957 4.164 27.909 1.00 0.28 C ATOM 1227 CG LYS A 82 -5.920 4.310 29.415 1.00 0.35 C ATOM 1228 CD LYS A 82 -7.209 4.968 29.903 1.00 0.85 C ATOM 1229 CE LYS A 82 -6.904 6.380 30.408 1.00 1.43 C ATOM 1230 NZ LYS A 82 -6.210 7.155 29.339 1.00 2.54 N ATOM 0 H LYS A 82 -6.530 2.026 29.242 1.00 0.09 H new ATOM 0 HA LYS A 82 -5.408 2.594 26.529 1.00 0.18 H new ATOM 0 HB2 LYS A 82 -5.358 4.937 27.429 1.00 0.28 H new ATOM 0 HB3 LYS A 82 -6.975 4.270 27.533 1.00 0.28 H new ATOM 0 HG2 LYS A 82 -5.801 3.332 29.881 1.00 0.35 H new ATOM 0 HG3 LYS A 82 -5.060 4.911 29.710 1.00 0.35 H new ATOM 0 HD2 LYS A 82 -7.937 5.010 29.093 1.00 0.85 H new ATOM 0 HD3 LYS A 82 -7.653 4.373 30.701 1.00 0.85 H new ATOM 0 HE2 LYS A 82 -7.828 6.882 30.694 1.00 1.43 H new ATOM 0 HE3 LYS A 82 -6.279 6.331 31.300 1.00 1.43 H new ATOM 0 HZ1 LYS A 82 -6.456 8.162 29.425 1.00 2.54 H new ATOM 0 HZ2 LYS A 82 -5.181 7.041 29.439 1.00 2.54 H new ATOM 0 HZ3 LYS A 82 -6.508 6.804 28.407 1.00 2.54 H new ATOM 1244 N GLY A 83 -3.425 1.540 28.237 1.00 0.36 N ATOM 1245 CA GLY A 83 -2.043 1.448 28.788 1.00 0.48 C ATOM 1246 C GLY A 83 -1.146 0.466 28.008 1.00 0.50 C ATOM 1247 O GLY A 83 -0.066 0.143 28.462 1.00 0.31 O ATOM 0 H GLY A 83 -3.856 0.655 27.969 1.00 0.36 H new ATOM 0 HA2 GLY A 83 -1.586 2.438 28.774 1.00 0.48 H new ATOM 0 HA3 GLY A 83 -2.094 1.135 29.831 1.00 0.48 H new ATOM 1251 N GLN A 84 -1.539 -0.021 26.854 1.00 0.77 N ATOM 1252 CA GLN A 84 -0.624 -0.967 26.139 1.00 0.81 C ATOM 1253 C GLN A 84 -0.781 -0.853 24.621 1.00 0.89 C ATOM 1254 O GLN A 84 -1.656 -0.176 24.121 1.00 0.63 O ATOM 1255 CB GLN A 84 -0.900 -2.399 26.593 1.00 0.83 C ATOM 1256 CG GLN A 84 -2.300 -2.838 26.165 1.00 2.00 C ATOM 1257 CD GLN A 84 -2.941 -3.622 27.309 1.00 4.09 C ATOM 1258 OE1 GLN A 84 -2.879 -4.836 27.335 1.00 5.53 O ATOM 1259 NE2 GLN A 84 -3.549 -2.978 28.269 1.00 4.91 N ATOM 0 H GLN A 84 -2.423 0.186 26.389 1.00 0.77 H new ATOM 0 HA GLN A 84 0.403 -0.701 26.389 1.00 0.81 H new ATOM 0 HB2 GLN A 84 -0.156 -3.071 26.166 1.00 0.83 H new ATOM 0 HB3 GLN A 84 -0.807 -2.467 27.677 1.00 0.83 H new ATOM 0 HG2 GLN A 84 -2.908 -1.969 25.916 1.00 2.00 H new ATOM 0 HG3 GLN A 84 -2.244 -3.456 25.269 1.00 2.00 H new ATOM 0 HE21 GLN A 84 -3.601 -1.960 28.247 1.00 4.91 H new ATOM 0 HE22 GLN A 84 -3.972 -3.494 29.041 1.00 4.91 H new ATOM 1268 N GLN A 85 0.093 -1.499 23.890 1.00 1.38 N ATOM 1269 CA GLN A 85 0.040 -1.419 22.402 1.00 1.42 C ATOM 1270 C GLN A 85 -0.452 -2.740 21.799 1.00 1.38 C ATOM 1271 O GLN A 85 -0.134 -3.814 22.267 1.00 1.82 O ATOM 1272 CB GLN A 85 1.439 -1.117 21.870 1.00 2.10 C ATOM 1273 CG GLN A 85 1.676 0.393 21.891 1.00 2.42 C ATOM 1274 CD GLN A 85 2.167 0.814 23.276 1.00 4.11 C ATOM 1275 OE1 GLN A 85 1.631 1.729 23.871 1.00 5.07 O ATOM 1276 NE2 GLN A 85 3.170 0.182 23.816 1.00 4.71 N ATOM 0 H GLN A 85 0.843 -2.080 24.264 1.00 1.38 H new ATOM 0 HA GLN A 85 -0.655 -0.628 22.120 1.00 1.42 H new ATOM 0 HB2 GLN A 85 2.188 -1.622 22.479 1.00 2.10 H new ATOM 0 HB3 GLN A 85 1.544 -1.498 20.854 1.00 2.10 H new ATOM 0 HG2 GLN A 85 2.411 0.667 21.134 1.00 2.42 H new ATOM 0 HG3 GLN A 85 0.754 0.920 21.645 1.00 2.42 H new ATOM 0 HE21 GLN A 85 3.618 -0.585 23.315 1.00 4.71 H new ATOM 0 HE22 GLN A 85 3.507 0.454 24.739 1.00 4.71 H new ATOM 1285 N TYR A 86 -1.237 -2.644 20.761 1.00 1.00 N ATOM 1286 CA TYR A 86 -1.792 -3.844 20.085 1.00 1.38 C ATOM 1287 C TYR A 86 -0.982 -4.177 18.829 1.00 0.88 C ATOM 1288 O TYR A 86 -0.130 -3.419 18.414 1.00 1.93 O ATOM 1289 CB TYR A 86 -3.192 -3.484 19.646 1.00 2.41 C ATOM 1290 CG TYR A 86 -4.149 -4.555 20.027 1.00 1.68 C ATOM 1291 CD1 TYR A 86 -4.745 -4.515 21.278 1.00 1.08 C ATOM 1292 CD2 TYR A 86 -4.471 -5.559 19.115 1.00 2.10 C ATOM 1293 CE1 TYR A 86 -5.694 -5.480 21.618 1.00 1.64 C ATOM 1294 CE2 TYR A 86 -5.409 -6.533 19.451 1.00 2.00 C ATOM 1295 CZ TYR A 86 -6.031 -6.487 20.702 1.00 1.97 C ATOM 1296 OH TYR A 86 -6.990 -7.421 21.032 1.00 2.67 O ATOM 0 H TYR A 86 -1.522 -1.758 20.345 1.00 1.00 H new ATOM 0 HA TYR A 86 -1.767 -4.699 20.761 1.00 1.38 H new ATOM 0 HB2 TYR A 86 -3.492 -2.541 20.103 1.00 2.41 H new ATOM 0 HB3 TYR A 86 -3.214 -3.336 18.566 1.00 2.41 H new ATOM 0 HD1 TYR A 86 -4.477 -3.743 21.984 1.00 1.08 H new ATOM 0 HD2 TYR A 86 -3.993 -5.582 18.147 1.00 2.10 H new ATOM 0 HE1 TYR A 86 -6.169 -5.451 22.587 1.00 1.64 H new ATOM 0 HE2 TYR A 86 -5.654 -7.318 18.750 1.00 2.00 H new ATOM 0 HH TYR A 86 -7.106 -8.048 20.288 1.00 2.67 H new ATOM 1306 N ASP A 87 -1.270 -5.293 18.202 1.00 1.17 N ATOM 1307 CA ASP A 87 -0.546 -5.655 16.957 1.00 1.45 C ATOM 1308 C ASP A 87 -0.991 -7.031 16.445 1.00 1.45 C ATOM 1309 O ASP A 87 -0.346 -8.034 16.681 1.00 1.88 O ATOM 1310 CB ASP A 87 0.955 -5.676 17.236 1.00 2.46 C ATOM 1311 CG ASP A 87 1.279 -6.801 18.222 1.00 2.95 C ATOM 1312 OD1 ASP A 87 0.838 -6.713 19.356 1.00 3.14 O ATOM 1313 OD2 ASP A 87 1.967 -7.730 17.827 1.00 3.47 O ATOM 0 H ASP A 87 -1.976 -5.964 18.504 1.00 1.17 H new ATOM 0 HA ASP A 87 -0.775 -4.913 16.192 1.00 1.45 H new ATOM 0 HB2 ASP A 87 1.506 -5.823 16.307 1.00 2.46 H new ATOM 0 HB3 ASP A 87 1.272 -4.717 17.646 1.00 2.46 H new ATOM 1318 N ILE A 88 -2.073 -7.081 15.717 1.00 1.38 N ATOM 1319 CA ILE A 88 -2.542 -8.379 15.158 1.00 1.47 C ATOM 1320 C ILE A 88 -2.751 -8.179 13.658 1.00 0.85 C ATOM 1321 O ILE A 88 -3.097 -7.104 13.211 1.00 1.01 O ATOM 1322 CB ILE A 88 -3.833 -8.795 15.863 1.00 1.98 C ATOM 1323 CG1 ILE A 88 -4.761 -9.569 14.923 1.00 1.52 C ATOM 1324 CG2 ILE A 88 -4.547 -7.547 16.378 1.00 2.46 C ATOM 1325 CD1 ILE A 88 -5.979 -8.708 14.637 1.00 2.54 C ATOM 0 H ILE A 88 -2.654 -6.275 15.485 1.00 1.38 H new ATOM 0 HA ILE A 88 -1.815 -9.176 15.316 1.00 1.47 H new ATOM 0 HB ILE A 88 -3.575 -9.452 16.694 1.00 1.98 H new ATOM 0 HG12 ILE A 88 -4.243 -9.814 13.996 1.00 1.52 H new ATOM 0 HG13 ILE A 88 -5.062 -10.512 15.379 1.00 1.52 H new ATOM 0 HG21 ILE A 88 -5.469 -7.837 16.882 1.00 2.46 H new ATOM 0 HG22 ILE A 88 -3.900 -7.021 17.080 1.00 2.46 H new ATOM 0 HG23 ILE A 88 -4.783 -6.891 15.540 1.00 2.46 H new ATOM 0 HD11 ILE A 88 -6.653 -9.242 13.968 1.00 2.54 H new ATOM 0 HD12 ILE A 88 -6.495 -8.486 15.571 1.00 2.54 H new ATOM 0 HD13 ILE A 88 -5.664 -7.777 14.166 1.00 2.54 H new ATOM 1337 N LYS A 89 -2.499 -9.186 12.866 1.00 1.52 N ATOM 1338 CA LYS A 89 -2.639 -9.008 11.382 1.00 0.95 C ATOM 1339 C LYS A 89 -3.095 -10.308 10.690 1.00 1.04 C ATOM 1340 O LYS A 89 -3.484 -11.270 11.322 1.00 1.29 O ATOM 1341 CB LYS A 89 -1.278 -8.591 10.800 1.00 1.08 C ATOM 1342 CG LYS A 89 -0.812 -7.271 11.431 1.00 0.69 C ATOM 1343 CD LYS A 89 0.713 -7.162 11.329 1.00 1.33 C ATOM 1344 CE LYS A 89 1.334 -7.390 12.709 1.00 2.30 C ATOM 1345 NZ LYS A 89 2.432 -8.391 12.600 1.00 3.15 N ATOM 0 H LYS A 89 -2.206 -10.114 13.171 1.00 1.52 H new ATOM 0 HA LYS A 89 -3.395 -8.243 11.203 1.00 0.95 H new ATOM 0 HB2 LYS A 89 -0.540 -9.372 10.986 1.00 1.08 H new ATOM 0 HB3 LYS A 89 -1.356 -8.478 9.719 1.00 1.08 H new ATOM 0 HG2 LYS A 89 -1.282 -6.428 10.924 1.00 0.69 H new ATOM 0 HG3 LYS A 89 -1.121 -7.227 12.475 1.00 0.69 H new ATOM 0 HD2 LYS A 89 1.094 -7.898 10.621 1.00 1.33 H new ATOM 0 HD3 LYS A 89 0.994 -6.179 10.950 1.00 1.33 H new ATOM 0 HE2 LYS A 89 1.721 -6.451 13.105 1.00 2.30 H new ATOM 0 HE3 LYS A 89 0.575 -7.742 13.408 1.00 2.30 H new ATOM 0 HZ1 LYS A 89 2.854 -8.546 13.538 1.00 3.15 H new ATOM 0 HZ2 LYS A 89 2.049 -9.288 12.240 1.00 3.15 H new ATOM 0 HZ3 LYS A 89 3.160 -8.038 11.947 1.00 3.15 H new ATOM 1359 N TYR A 90 -3.037 -10.314 9.377 1.00 0.86 N ATOM 1360 CA TYR A 90 -3.445 -11.508 8.566 1.00 0.94 C ATOM 1361 C TYR A 90 -2.732 -11.418 7.211 1.00 0.91 C ATOM 1362 O TYR A 90 -2.796 -10.410 6.539 1.00 1.19 O ATOM 1363 CB TYR A 90 -4.959 -11.490 8.359 1.00 0.87 C ATOM 1364 CG TYR A 90 -5.630 -11.680 9.695 1.00 0.90 C ATOM 1365 CD1 TYR A 90 -5.504 -12.901 10.368 1.00 1.00 C ATOM 1366 CD2 TYR A 90 -6.358 -10.634 10.271 1.00 0.86 C ATOM 1367 CE1 TYR A 90 -6.109 -13.078 11.617 1.00 1.03 C ATOM 1368 CE2 TYR A 90 -6.961 -10.809 11.522 1.00 0.88 C ATOM 1369 CZ TYR A 90 -6.837 -12.032 12.194 1.00 0.95 C ATOM 1370 OH TYR A 90 -7.431 -12.206 13.428 1.00 0.98 O ATOM 0 H TYR A 90 -2.716 -9.521 8.821 1.00 0.86 H new ATOM 0 HA TYR A 90 -3.174 -12.432 9.076 1.00 0.94 H new ATOM 0 HB2 TYR A 90 -5.268 -10.545 7.911 1.00 0.87 H new ATOM 0 HB3 TYR A 90 -5.256 -12.281 7.671 1.00 0.87 H new ATOM 0 HD1 TYR A 90 -4.939 -13.707 9.923 1.00 1.00 H new ATOM 0 HD2 TYR A 90 -6.455 -9.692 9.751 1.00 0.86 H new ATOM 0 HE1 TYR A 90 -6.014 -14.021 12.135 1.00 1.03 H new ATOM 0 HE2 TYR A 90 -7.522 -10.001 11.969 1.00 0.88 H new ATOM 0 HH TYR A 90 -7.069 -11.551 14.060 1.00 0.98 H new ATOM 1380 N THR A 91 -2.030 -12.441 6.808 1.00 1.44 N ATOM 1381 CA THR A 91 -1.302 -12.360 5.507 1.00 1.51 C ATOM 1382 C THR A 91 -1.780 -13.453 4.546 1.00 1.46 C ATOM 1383 O THR A 91 -2.293 -14.477 4.953 1.00 1.82 O ATOM 1384 CB THR A 91 0.201 -12.520 5.761 1.00 1.57 C ATOM 1385 OG1 THR A 91 0.834 -13.004 4.585 1.00 3.39 O ATOM 1386 CG2 THR A 91 0.423 -13.510 6.909 1.00 2.24 C ATOM 0 H THR A 91 -1.928 -13.320 7.315 1.00 1.44 H new ATOM 0 HA THR A 91 -1.503 -11.390 5.051 1.00 1.51 H new ATOM 0 HB THR A 91 0.628 -11.554 6.029 1.00 1.57 H new ATOM 0 HG1 THR A 91 1.795 -13.104 4.748 1.00 3.39 H new ATOM 0 HG21 THR A 91 1.492 -13.624 7.090 1.00 2.24 H new ATOM 0 HG22 THR A 91 -0.060 -13.135 7.811 1.00 2.24 H new ATOM 0 HG23 THR A 91 -0.005 -14.477 6.644 1.00 2.24 H new ATOM 1394 N TRP A 92 -1.603 -13.237 3.267 1.00 1.59 N ATOM 1395 CA TRP A 92 -2.031 -14.248 2.259 1.00 1.50 C ATOM 1396 C TRP A 92 -1.018 -14.276 1.115 1.00 1.52 C ATOM 1397 O TRP A 92 -0.947 -13.356 0.327 1.00 1.59 O ATOM 1398 CB TRP A 92 -3.399 -13.861 1.687 1.00 1.95 C ATOM 1399 CG TRP A 92 -3.606 -14.538 0.363 1.00 2.03 C ATOM 1400 CD1 TRP A 92 -3.099 -15.743 0.012 1.00 1.94 C ATOM 1401 CD2 TRP A 92 -4.366 -14.067 -0.786 1.00 2.95 C ATOM 1402 NE1 TRP A 92 -3.497 -16.039 -1.279 1.00 2.32 N ATOM 1403 CE2 TRP A 92 -4.284 -15.039 -1.813 1.00 3.12 C ATOM 1404 CE3 TRP A 92 -5.115 -12.905 -1.035 1.00 4.00 C ATOM 1405 CZ2 TRP A 92 -4.918 -14.859 -3.043 1.00 4.27 C ATOM 1406 CZ3 TRP A 92 -5.756 -12.721 -2.270 1.00 5.21 C ATOM 1407 CH2 TRP A 92 -5.660 -13.698 -3.272 1.00 5.33 C ATOM 0 H TRP A 92 -1.177 -12.396 2.877 1.00 1.59 H new ATOM 0 HA TRP A 92 -2.092 -15.226 2.736 1.00 1.50 H new ATOM 0 HB2 TRP A 92 -4.188 -14.150 2.381 1.00 1.95 H new ATOM 0 HB3 TRP A 92 -3.460 -12.779 1.566 1.00 1.95 H new ATOM 0 HD1 TRP A 92 -2.483 -16.371 0.639 1.00 1.94 H new ATOM 0 HE1 TRP A 92 -3.240 -16.892 -1.776 1.00 2.32 H new ATOM 0 HE3 TRP A 92 -5.198 -12.147 -0.270 1.00 4.00 H new ATOM 0 HZ2 TRP A 92 -4.836 -15.612 -3.813 1.00 4.27 H new ATOM 0 HZ3 TRP A 92 -6.327 -11.822 -2.450 1.00 5.21 H new ATOM 0 HH2 TRP A 92 -6.159 -13.553 -4.219 1.00 5.33 H new ATOM 1418 N ASN A 93 -0.253 -15.322 0.993 1.00 1.64 N ATOM 1419 CA ASN A 93 0.717 -15.384 -0.133 1.00 1.85 C ATOM 1420 C ASN A 93 -0.079 -15.332 -1.434 1.00 1.89 C ATOM 1421 O ASN A 93 -0.929 -16.165 -1.678 1.00 2.00 O ATOM 1422 CB ASN A 93 1.514 -16.688 -0.057 1.00 2.26 C ATOM 1423 CG ASN A 93 2.504 -16.602 1.104 1.00 0.97 C ATOM 1424 OD1 ASN A 93 2.562 -17.484 1.936 1.00 1.70 O ATOM 1425 ND2 ASN A 93 3.289 -15.563 1.195 1.00 3.09 N ATOM 0 H ASN A 93 -0.256 -16.129 1.617 1.00 1.64 H new ATOM 0 HA ASN A 93 1.418 -14.551 -0.084 1.00 1.85 H new ATOM 0 HB2 ASN A 93 0.840 -17.533 0.085 1.00 2.26 H new ATOM 0 HB3 ASN A 93 2.046 -16.859 -0.993 1.00 2.26 H new ATOM 0 HD21 ASN A 93 3.953 -15.491 1.966 1.00 3.09 H new ATOM 0 HD22 ASN A 93 3.239 -14.823 0.495 1.00 3.09 H new ATOM 1432 N VAL A 94 0.157 -14.349 -2.258 1.00 1.82 N ATOM 1433 CA VAL A 94 -0.634 -14.255 -3.516 1.00 1.90 C ATOM 1434 C VAL A 94 0.250 -14.451 -4.754 1.00 2.29 C ATOM 1435 O VAL A 94 0.837 -13.511 -5.251 1.00 2.63 O ATOM 1436 CB VAL A 94 -1.311 -12.882 -3.595 1.00 1.63 C ATOM 1437 CG1 VAL A 94 -2.299 -12.881 -4.764 1.00 1.87 C ATOM 1438 CG2 VAL A 94 -2.075 -12.615 -2.293 1.00 1.05 C ATOM 0 H VAL A 94 0.853 -13.617 -2.118 1.00 1.82 H new ATOM 0 HA VAL A 94 -1.383 -15.047 -3.500 1.00 1.90 H new ATOM 0 HB VAL A 94 -0.557 -12.108 -3.742 1.00 1.63 H new ATOM 0 HG11 VAL A 94 -2.786 -11.908 -4.828 1.00 1.87 H new ATOM 0 HG12 VAL A 94 -1.764 -13.081 -5.692 1.00 1.87 H new ATOM 0 HG13 VAL A 94 -3.052 -13.653 -4.605 1.00 1.87 H new ATOM 0 HG21 VAL A 94 -2.557 -11.639 -2.348 1.00 1.05 H new ATOM 0 HG22 VAL A 94 -2.832 -13.386 -2.151 1.00 1.05 H new ATOM 0 HG23 VAL A 94 -1.380 -12.630 -1.454 1.00 1.05 H new ATOM 1448 N PRO A 95 0.274 -15.665 -5.238 1.00 2.31 N ATOM 1449 CA PRO A 95 1.025 -16.029 -6.456 1.00 2.68 C ATOM 1450 C PRO A 95 0.264 -15.531 -7.686 1.00 2.51 C ATOM 1451 O PRO A 95 0.556 -14.493 -8.242 1.00 2.63 O ATOM 1452 CB PRO A 95 1.047 -17.561 -6.414 1.00 2.84 C ATOM 1453 CG PRO A 95 -0.124 -17.996 -5.508 1.00 2.51 C ATOM 1454 CD PRO A 95 -0.450 -16.792 -4.612 1.00 2.14 C ATOM 0 HA PRO A 95 2.025 -15.598 -6.505 1.00 2.68 H new ATOM 0 HB2 PRO A 95 0.937 -17.977 -7.415 1.00 2.84 H new ATOM 0 HB3 PRO A 95 1.996 -17.924 -6.020 1.00 2.84 H new ATOM 0 HG2 PRO A 95 -0.990 -18.282 -6.104 1.00 2.51 H new ATOM 0 HG3 PRO A 95 0.151 -18.863 -4.908 1.00 2.51 H new ATOM 0 HD2 PRO A 95 -1.523 -16.603 -4.574 1.00 2.14 H new ATOM 0 HD3 PRO A 95 -0.119 -16.958 -3.587 1.00 2.14 H new ATOM 1462 N LYS A 96 -0.739 -16.260 -8.073 1.00 2.27 N ATOM 1463 CA LYS A 96 -1.599 -15.864 -9.222 1.00 2.09 C ATOM 1464 C LYS A 96 -3.016 -16.161 -8.762 1.00 1.63 C ATOM 1465 O LYS A 96 -3.833 -15.282 -8.600 1.00 1.25 O ATOM 1466 CB LYS A 96 -1.249 -16.692 -10.462 1.00 2.28 C ATOM 1467 CG LYS A 96 -1.041 -15.759 -11.658 1.00 3.01 C ATOM 1468 CD LYS A 96 0.342 -15.109 -11.568 1.00 2.36 C ATOM 1469 CE LYS A 96 0.862 -14.819 -12.977 1.00 2.42 C ATOM 1470 NZ LYS A 96 2.008 -13.870 -12.898 1.00 2.18 N ATOM 0 H LYS A 96 -1.008 -17.139 -7.630 1.00 2.27 H new ATOM 0 HA LYS A 96 -1.467 -14.818 -9.499 1.00 2.09 H new ATOM 0 HB2 LYS A 96 -0.346 -17.274 -10.280 1.00 2.28 H new ATOM 0 HB3 LYS A 96 -2.048 -17.402 -10.676 1.00 2.28 H new ATOM 0 HG2 LYS A 96 -1.131 -16.319 -12.589 1.00 3.01 H new ATOM 0 HG3 LYS A 96 -1.815 -14.991 -11.672 1.00 3.01 H new ATOM 0 HD2 LYS A 96 0.285 -14.185 -10.993 1.00 2.36 H new ATOM 0 HD3 LYS A 96 1.032 -15.769 -11.043 1.00 2.36 H new ATOM 0 HE2 LYS A 96 1.176 -15.745 -13.458 1.00 2.42 H new ATOM 0 HE3 LYS A 96 0.066 -14.395 -13.590 1.00 2.42 H new ATOM 0 HZ1 LYS A 96 2.362 -13.673 -13.856 1.00 2.18 H new ATOM 0 HZ2 LYS A 96 1.694 -12.983 -12.455 1.00 2.18 H new ATOM 0 HZ3 LYS A 96 2.769 -14.291 -12.328 1.00 2.18 H new ATOM 1484 N ILE A 97 -3.270 -17.394 -8.447 1.00 1.75 N ATOM 1485 CA ILE A 97 -4.584 -17.766 -7.881 1.00 1.46 C ATOM 1486 C ILE A 97 -5.730 -17.591 -8.882 1.00 1.20 C ATOM 1487 O ILE A 97 -6.880 -17.780 -8.540 1.00 1.00 O ATOM 1488 CB ILE A 97 -4.799 -16.867 -6.673 1.00 1.22 C ATOM 1489 CG1 ILE A 97 -3.485 -16.785 -5.887 1.00 1.55 C ATOM 1490 CG2 ILE A 97 -5.899 -17.448 -5.784 1.00 1.22 C ATOM 1491 CD1 ILE A 97 -2.990 -15.344 -5.896 1.00 1.50 C ATOM 0 H ILE A 97 -2.614 -18.167 -8.560 1.00 1.75 H new ATOM 0 HA ILE A 97 -4.583 -18.823 -7.614 1.00 1.46 H new ATOM 0 HB ILE A 97 -5.102 -15.872 -6.998 1.00 1.22 H new ATOM 0 HG12 ILE A 97 -3.638 -17.124 -4.862 1.00 1.55 H new ATOM 0 HG13 ILE A 97 -2.738 -17.442 -6.333 1.00 1.55 H new ATOM 0 HG21 ILE A 97 -6.049 -16.800 -4.920 1.00 1.22 H new ATOM 0 HG22 ILE A 97 -6.827 -17.517 -6.351 1.00 1.22 H new ATOM 0 HG23 ILE A 97 -5.606 -18.442 -5.446 1.00 1.22 H new ATOM 0 HD11 ILE A 97 -2.056 -15.277 -5.339 1.00 1.50 H new ATOM 0 HD12 ILE A 97 -2.823 -15.023 -6.924 1.00 1.50 H new ATOM 0 HD13 ILE A 97 -3.737 -14.700 -5.431 1.00 1.50 H new ATOM 1503 N ALA A 98 -5.454 -17.256 -10.110 1.00 1.30 N ATOM 1504 CA ALA A 98 -6.561 -17.107 -11.074 1.00 1.14 C ATOM 1505 C ALA A 98 -7.583 -16.113 -10.519 1.00 0.88 C ATOM 1506 O ALA A 98 -7.427 -15.602 -9.428 1.00 0.79 O ATOM 1507 CB ALA A 98 -7.216 -18.469 -11.271 1.00 1.05 C ATOM 0 H ALA A 98 -4.519 -17.082 -10.479 1.00 1.30 H new ATOM 0 HA ALA A 98 -6.187 -16.736 -12.028 1.00 1.14 H new ATOM 0 HB1 ALA A 98 -8.038 -18.378 -11.981 1.00 1.05 H new ATOM 0 HB2 ALA A 98 -6.480 -19.175 -11.656 1.00 1.05 H new ATOM 0 HB3 ALA A 98 -7.600 -18.830 -10.317 1.00 1.05 H new ATOM 1513 N PRO A 99 -8.590 -15.867 -11.304 1.00 0.90 N ATOM 1514 CA PRO A 99 -9.675 -14.930 -10.966 1.00 0.93 C ATOM 1515 C PRO A 99 -10.679 -15.596 -10.045 1.00 0.73 C ATOM 1516 O PRO A 99 -10.857 -16.797 -10.064 1.00 0.60 O ATOM 1517 CB PRO A 99 -10.349 -14.662 -12.301 1.00 1.26 C ATOM 1518 CG PRO A 99 -10.038 -15.887 -13.167 1.00 1.21 C ATOM 1519 CD PRO A 99 -8.743 -16.507 -12.614 1.00 1.07 C ATOM 0 HA PRO A 99 -9.307 -14.034 -10.467 1.00 0.93 H new ATOM 0 HB2 PRO A 99 -11.424 -14.530 -12.179 1.00 1.26 H new ATOM 0 HB3 PRO A 99 -9.966 -13.750 -12.759 1.00 1.26 H new ATOM 0 HG2 PRO A 99 -10.857 -16.605 -13.129 1.00 1.21 H new ATOM 0 HG3 PRO A 99 -9.914 -15.600 -14.211 1.00 1.21 H new ATOM 0 HD2 PRO A 99 -8.823 -17.590 -12.525 1.00 1.07 H new ATOM 0 HD3 PRO A 99 -7.891 -16.303 -13.263 1.00 1.07 H new ATOM 1527 N LYS A 100 -11.382 -14.820 -9.291 1.00 0.83 N ATOM 1528 CA LYS A 100 -12.431 -15.391 -8.428 1.00 0.87 C ATOM 1529 C LYS A 100 -11.879 -16.458 -7.474 1.00 0.64 C ATOM 1530 O LYS A 100 -10.933 -17.161 -7.768 1.00 0.45 O ATOM 1531 CB LYS A 100 -13.460 -16.008 -9.373 1.00 1.13 C ATOM 1532 CG LYS A 100 -14.169 -14.908 -10.178 1.00 1.48 C ATOM 1533 CD LYS A 100 -14.794 -13.868 -9.245 1.00 1.60 C ATOM 1534 CE LYS A 100 -16.314 -13.861 -9.431 1.00 1.88 C ATOM 1535 NZ LYS A 100 -16.864 -15.202 -9.083 1.00 2.85 N ATOM 0 H LYS A 100 -11.275 -13.807 -9.235 1.00 0.83 H new ATOM 0 HA LYS A 100 -12.864 -14.617 -7.795 1.00 0.87 H new ATOM 0 HB2 LYS A 100 -12.969 -16.706 -10.051 1.00 1.13 H new ATOM 0 HB3 LYS A 100 -14.192 -16.580 -8.802 1.00 1.13 H new ATOM 0 HG2 LYS A 100 -13.456 -14.423 -10.845 1.00 1.48 H new ATOM 0 HG3 LYS A 100 -14.942 -15.351 -10.805 1.00 1.48 H new ATOM 0 HD2 LYS A 100 -14.545 -14.097 -8.209 1.00 1.60 H new ATOM 0 HD3 LYS A 100 -14.386 -12.880 -9.460 1.00 1.60 H new ATOM 0 HE2 LYS A 100 -16.765 -13.096 -8.799 1.00 1.88 H new ATOM 0 HE3 LYS A 100 -16.564 -13.610 -10.462 1.00 1.88 H new ATOM 0 HZ1 LYS A 100 -17.837 -15.098 -8.732 1.00 2.85 H new ATOM 0 HZ2 LYS A 100 -16.864 -15.807 -9.929 1.00 2.85 H new ATOM 0 HZ3 LYS A 100 -16.275 -15.638 -8.345 1.00 2.85 H new ATOM 1549 N SER A 101 -12.494 -16.572 -6.322 1.00 0.86 N ATOM 1550 CA SER A 101 -12.063 -17.578 -5.306 1.00 0.77 C ATOM 1551 C SER A 101 -13.285 -18.378 -4.842 1.00 1.01 C ATOM 1552 O SER A 101 -14.414 -17.979 -5.055 1.00 1.15 O ATOM 1553 CB SER A 101 -11.470 -16.852 -4.100 1.00 0.63 C ATOM 1554 OG SER A 101 -12.454 -15.981 -3.563 1.00 1.63 O ATOM 0 H SER A 101 -13.290 -16.000 -6.040 1.00 0.86 H new ATOM 0 HA SER A 101 -11.321 -18.245 -5.744 1.00 0.77 H new ATOM 0 HB2 SER A 101 -11.150 -17.571 -3.346 1.00 0.63 H new ATOM 0 HB3 SER A 101 -10.586 -16.287 -4.396 1.00 0.63 H new ATOM 0 HG SER A 101 -12.789 -15.391 -4.270 1.00 1.63 H new ATOM 1560 N GLU A 102 -13.073 -19.493 -4.193 1.00 1.19 N ATOM 1561 CA GLU A 102 -14.229 -20.302 -3.701 1.00 1.50 C ATOM 1562 C GLU A 102 -15.176 -19.392 -2.914 1.00 1.41 C ATOM 1563 O GLU A 102 -16.344 -19.683 -2.751 1.00 1.75 O ATOM 1564 CB GLU A 102 -13.719 -21.413 -2.779 1.00 1.69 C ATOM 1565 CG GLU A 102 -13.600 -22.722 -3.563 1.00 2.04 C ATOM 1566 CD GLU A 102 -13.668 -23.901 -2.593 1.00 2.29 C ATOM 1567 OE1 GLU A 102 -14.544 -23.893 -1.743 1.00 2.58 O ATOM 1568 OE2 GLU A 102 -12.845 -24.793 -2.716 1.00 2.97 O ATOM 0 H GLU A 102 -12.152 -19.878 -3.982 1.00 1.19 H new ATOM 0 HA GLU A 102 -14.754 -20.743 -4.548 1.00 1.50 H new ATOM 0 HB2 GLU A 102 -12.750 -21.137 -2.364 1.00 1.69 H new ATOM 0 HB3 GLU A 102 -14.401 -21.542 -1.938 1.00 1.69 H new ATOM 0 HG2 GLU A 102 -14.403 -22.794 -4.297 1.00 2.04 H new ATOM 0 HG3 GLU A 102 -12.660 -22.744 -4.115 1.00 2.04 H new ATOM 1575 N ASN A 103 -14.665 -18.292 -2.425 1.00 0.97 N ATOM 1576 CA ASN A 103 -15.502 -17.340 -1.637 1.00 0.88 C ATOM 1577 C ASN A 103 -14.582 -16.505 -0.747 1.00 0.82 C ATOM 1578 O ASN A 103 -13.479 -16.908 -0.434 1.00 0.83 O ATOM 1579 CB ASN A 103 -16.490 -18.112 -0.757 1.00 0.88 C ATOM 1580 CG ASN A 103 -17.898 -18.000 -1.344 1.00 1.07 C ATOM 1581 OD1 ASN A 103 -18.621 -18.973 -1.409 1.00 3.20 O ATOM 1582 ND2 ASN A 103 -18.320 -16.843 -1.779 1.00 1.24 N ATOM 0 H ASN A 103 -13.692 -18.010 -2.540 1.00 0.97 H new ATOM 0 HA ASN A 103 -16.061 -16.697 -2.316 1.00 0.88 H new ATOM 0 HB2 ASN A 103 -16.194 -19.159 -0.693 1.00 0.88 H new ATOM 0 HB3 ASN A 103 -16.476 -17.715 0.258 1.00 0.88 H new ATOM 0 HD21 ASN A 103 -19.257 -16.757 -2.173 1.00 1.24 H new ATOM 0 HD22 ASN A 103 -17.713 -16.025 -1.724 1.00 1.24 H new ATOM 1589 N VAL A 104 -15.016 -15.348 -0.336 1.00 0.77 N ATOM 1590 CA VAL A 104 -14.148 -14.505 0.531 1.00 0.74 C ATOM 1591 C VAL A 104 -15.020 -13.615 1.421 1.00 0.75 C ATOM 1592 O VAL A 104 -16.229 -13.592 1.305 1.00 0.91 O ATOM 1593 CB VAL A 104 -13.232 -13.636 -0.340 1.00 0.68 C ATOM 1594 CG1 VAL A 104 -11.835 -13.584 0.282 1.00 0.66 C ATOM 1595 CG2 VAL A 104 -13.125 -14.238 -1.741 1.00 0.72 C ATOM 0 H VAL A 104 -15.928 -14.951 -0.561 1.00 0.77 H new ATOM 0 HA VAL A 104 -13.533 -15.148 1.161 1.00 0.74 H new ATOM 0 HB VAL A 104 -13.650 -12.631 -0.403 1.00 0.68 H new ATOM 0 HG11 VAL A 104 -11.184 -12.967 -0.337 1.00 0.66 H new ATOM 0 HG12 VAL A 104 -11.898 -13.156 1.282 1.00 0.66 H new ATOM 0 HG13 VAL A 104 -11.427 -14.593 0.344 1.00 0.66 H new ATOM 0 HG21 VAL A 104 -12.473 -13.617 -2.355 1.00 0.72 H new ATOM 0 HG22 VAL A 104 -12.710 -15.244 -1.674 1.00 0.72 H new ATOM 0 HG23 VAL A 104 -14.115 -14.283 -2.194 1.00 0.72 H new ATOM 1605 N VAL A 105 -14.408 -12.893 2.318 1.00 0.71 N ATOM 1606 CA VAL A 105 -15.177 -12.005 3.237 1.00 0.74 C ATOM 1607 C VAL A 105 -14.256 -11.606 4.392 1.00 0.76 C ATOM 1608 O VAL A 105 -13.608 -12.443 4.986 1.00 0.86 O ATOM 1609 CB VAL A 105 -16.389 -12.761 3.788 1.00 0.70 C ATOM 1610 CG1 VAL A 105 -16.412 -12.646 5.314 1.00 0.76 C ATOM 1611 CG2 VAL A 105 -17.675 -12.158 3.218 1.00 0.79 C ATOM 0 H VAL A 105 -13.397 -12.880 2.456 1.00 0.71 H new ATOM 0 HA VAL A 105 -15.525 -11.120 2.704 1.00 0.74 H new ATOM 0 HB VAL A 105 -16.320 -13.810 3.500 1.00 0.70 H new ATOM 0 HG11 VAL A 105 -17.275 -13.184 5.706 1.00 0.76 H new ATOM 0 HG12 VAL A 105 -15.499 -13.076 5.725 1.00 0.76 H new ATOM 0 HG13 VAL A 105 -16.479 -11.596 5.599 1.00 0.76 H new ATOM 0 HG21 VAL A 105 -18.536 -12.698 3.612 1.00 0.79 H new ATOM 0 HG22 VAL A 105 -17.743 -11.109 3.505 1.00 0.79 H new ATOM 0 HG23 VAL A 105 -17.663 -12.237 2.131 1.00 0.79 H new ATOM 1621 N VAL A 106 -14.173 -10.344 4.711 1.00 0.74 N ATOM 1622 CA VAL A 106 -13.266 -9.932 5.821 1.00 0.78 C ATOM 1623 C VAL A 106 -14.015 -9.062 6.832 1.00 0.82 C ATOM 1624 O VAL A 106 -14.239 -7.893 6.611 1.00 1.68 O ATOM 1625 CB VAL A 106 -12.094 -9.137 5.251 1.00 0.96 C ATOM 1626 CG1 VAL A 106 -11.506 -8.244 6.347 1.00 0.66 C ATOM 1627 CG2 VAL A 106 -11.022 -10.107 4.747 1.00 1.49 C ATOM 0 H VAL A 106 -14.687 -9.588 4.258 1.00 0.74 H new ATOM 0 HA VAL A 106 -12.902 -10.828 6.324 1.00 0.78 H new ATOM 0 HB VAL A 106 -12.438 -8.516 4.424 1.00 0.96 H new ATOM 0 HG11 VAL A 106 -10.669 -7.675 5.943 1.00 0.66 H new ATOM 0 HG12 VAL A 106 -12.272 -7.557 6.706 1.00 0.66 H new ATOM 0 HG13 VAL A 106 -11.158 -8.864 7.174 1.00 0.66 H new ATOM 0 HG21 VAL A 106 -10.183 -9.543 4.339 1.00 1.49 H new ATOM 0 HG22 VAL A 106 -10.675 -10.727 5.574 1.00 1.49 H new ATOM 0 HG23 VAL A 106 -11.444 -10.743 3.969 1.00 1.49 H new ATOM 1637 N THR A 107 -14.382 -9.621 7.949 1.00 0.57 N ATOM 1638 CA THR A 107 -15.093 -8.821 8.984 1.00 0.43 C ATOM 1639 C THR A 107 -14.137 -8.596 10.162 1.00 0.22 C ATOM 1640 O THR A 107 -13.298 -9.425 10.448 1.00 0.36 O ATOM 1641 CB THR A 107 -16.331 -9.592 9.451 1.00 0.54 C ATOM 1642 OG1 THR A 107 -16.769 -10.453 8.407 1.00 1.11 O ATOM 1643 CG2 THR A 107 -17.447 -8.608 9.800 1.00 0.34 C ATOM 0 H THR A 107 -14.221 -10.599 8.191 1.00 0.57 H new ATOM 0 HA THR A 107 -15.407 -7.860 8.578 1.00 0.43 H new ATOM 0 HB THR A 107 -16.081 -10.182 10.333 1.00 0.54 H new ATOM 0 HG1 THR A 107 -17.560 -10.950 8.703 1.00 1.11 H new ATOM 0 HG21 THR A 107 -18.327 -9.159 10.132 1.00 0.34 H new ATOM 0 HG22 THR A 107 -17.111 -7.945 10.598 1.00 0.34 H new ATOM 0 HG23 THR A 107 -17.700 -8.017 8.920 1.00 0.34 H new ATOM 1651 N VAL A 108 -14.233 -7.484 10.839 1.00 0.17 N ATOM 1652 CA VAL A 108 -13.297 -7.243 11.976 1.00 0.38 C ATOM 1653 C VAL A 108 -13.947 -6.336 13.024 1.00 0.32 C ATOM 1654 O VAL A 108 -14.798 -5.524 12.718 1.00 0.30 O ATOM 1655 CB VAL A 108 -12.033 -6.555 11.453 1.00 0.57 C ATOM 1656 CG1 VAL A 108 -10.845 -6.904 12.353 1.00 1.02 C ATOM 1657 CG2 VAL A 108 -11.743 -7.018 10.022 1.00 1.88 C ATOM 0 H VAL A 108 -14.908 -6.741 10.659 1.00 0.17 H new ATOM 0 HA VAL A 108 -13.051 -8.202 12.432 1.00 0.38 H new ATOM 0 HB VAL A 108 -12.187 -5.476 11.458 1.00 0.57 H new ATOM 0 HG11 VAL A 108 -9.947 -6.413 11.978 1.00 1.02 H new ATOM 0 HG12 VAL A 108 -11.046 -6.565 13.369 1.00 1.02 H new ATOM 0 HG13 VAL A 108 -10.694 -7.984 12.354 1.00 1.02 H new ATOM 0 HG21 VAL A 108 -10.843 -6.525 9.656 1.00 1.88 H new ATOM 0 HG22 VAL A 108 -11.595 -8.098 10.012 1.00 1.88 H new ATOM 0 HG23 VAL A 108 -12.585 -6.761 9.379 1.00 1.88 H new ATOM 1667 N LYS A 109 -13.528 -6.455 14.257 1.00 0.31 N ATOM 1668 CA LYS A 109 -14.093 -5.589 15.327 1.00 0.30 C ATOM 1669 C LYS A 109 -13.589 -6.037 16.691 1.00 0.30 C ATOM 1670 O LYS A 109 -13.895 -7.116 17.161 1.00 0.56 O ATOM 1671 CB LYS A 109 -15.613 -5.662 15.333 1.00 0.46 C ATOM 1672 CG LYS A 109 -16.110 -5.508 16.775 1.00 0.37 C ATOM 1673 CD LYS A 109 -17.530 -4.945 16.766 1.00 0.47 C ATOM 1674 CE LYS A 109 -18.519 -6.056 16.414 1.00 0.47 C ATOM 1675 NZ LYS A 109 -18.873 -5.964 14.970 1.00 1.81 N ATOM 0 H LYS A 109 -12.817 -7.117 14.567 1.00 0.31 H new ATOM 0 HA LYS A 109 -13.774 -4.566 15.126 1.00 0.30 H new ATOM 0 HB2 LYS A 109 -16.031 -4.876 14.704 1.00 0.46 H new ATOM 0 HB3 LYS A 109 -15.947 -6.613 14.918 1.00 0.46 H new ATOM 0 HG2 LYS A 109 -16.093 -6.473 17.282 1.00 0.37 H new ATOM 0 HG3 LYS A 109 -15.448 -4.844 17.331 1.00 0.37 H new ATOM 0 HD2 LYS A 109 -17.772 -4.525 17.742 1.00 0.47 H new ATOM 0 HD3 LYS A 109 -17.606 -4.134 16.042 1.00 0.47 H new ATOM 0 HE2 LYS A 109 -18.081 -7.030 16.631 1.00 0.47 H new ATOM 0 HE3 LYS A 109 -19.416 -5.967 17.026 1.00 0.47 H new ATOM 0 HZ1 LYS A 109 -18.911 -6.919 14.560 1.00 1.81 H new ATOM 0 HZ2 LYS A 109 -19.802 -5.507 14.869 1.00 1.81 H new ATOM 0 HZ3 LYS A 109 -18.154 -5.402 14.471 1.00 1.81 H new ATOM 1689 N LEU A 110 -12.853 -5.195 17.344 1.00 0.18 N ATOM 1690 CA LEU A 110 -12.360 -5.531 18.701 1.00 0.23 C ATOM 1691 C LEU A 110 -13.200 -4.749 19.706 1.00 0.36 C ATOM 1692 O LEU A 110 -13.370 -3.552 19.585 1.00 0.39 O ATOM 1693 CB LEU A 110 -10.892 -5.142 18.844 1.00 0.21 C ATOM 1694 CG LEU A 110 -10.415 -5.525 20.242 1.00 0.65 C ATOM 1695 CD1 LEU A 110 -10.724 -6.999 20.504 1.00 1.37 C ATOM 1696 CD2 LEU A 110 -8.911 -5.297 20.344 1.00 0.57 C ATOM 0 H LEU A 110 -12.568 -4.280 16.995 1.00 0.18 H new ATOM 0 HA LEU A 110 -12.445 -6.603 18.877 1.00 0.23 H new ATOM 0 HB2 LEU A 110 -10.292 -5.649 18.088 1.00 0.21 H new ATOM 0 HB3 LEU A 110 -10.768 -4.071 18.683 1.00 0.21 H new ATOM 0 HG LEU A 110 -10.929 -4.910 20.981 1.00 0.65 H new ATOM 0 HD11 LEU A 110 -10.382 -7.270 21.503 1.00 1.37 H new ATOM 0 HD12 LEU A 110 -11.799 -7.164 20.431 1.00 1.37 H new ATOM 0 HD13 LEU A 110 -10.211 -7.615 19.765 1.00 1.37 H new ATOM 0 HD21 LEU A 110 -8.568 -5.570 21.342 1.00 0.57 H new ATOM 0 HD22 LEU A 110 -8.399 -5.912 19.604 1.00 0.57 H new ATOM 0 HD23 LEU A 110 -8.689 -4.246 20.159 1.00 0.57 H new ATOM 1708 N ILE A 111 -13.750 -5.413 20.676 1.00 0.48 N ATOM 1709 CA ILE A 111 -14.607 -4.707 21.665 1.00 0.63 C ATOM 1710 C ILE A 111 -14.116 -4.979 23.087 1.00 0.72 C ATOM 1711 O ILE A 111 -13.806 -6.094 23.445 1.00 0.59 O ATOM 1712 CB ILE A 111 -16.035 -5.225 21.523 1.00 0.78 C ATOM 1713 CG1 ILE A 111 -16.387 -5.339 20.038 1.00 0.74 C ATOM 1714 CG2 ILE A 111 -17.004 -4.258 22.208 1.00 0.90 C ATOM 1715 CD1 ILE A 111 -17.648 -6.189 19.870 1.00 0.85 C ATOM 0 H ILE A 111 -13.645 -6.416 20.829 1.00 0.48 H new ATOM 0 HA ILE A 111 -14.565 -3.634 21.479 1.00 0.63 H new ATOM 0 HB ILE A 111 -16.115 -6.205 21.993 1.00 0.78 H new ATOM 0 HG12 ILE A 111 -16.547 -4.347 19.615 1.00 0.74 H new ATOM 0 HG13 ILE A 111 -15.558 -5.789 19.492 1.00 0.74 H new ATOM 0 HG21 ILE A 111 -18.023 -4.630 22.105 1.00 0.90 H new ATOM 0 HG22 ILE A 111 -16.752 -4.178 23.265 1.00 0.90 H new ATOM 0 HG23 ILE A 111 -16.928 -3.276 21.742 1.00 0.90 H new ATOM 0 HD11 ILE A 111 -17.895 -6.268 18.811 1.00 0.85 H new ATOM 0 HD12 ILE A 111 -17.472 -7.185 20.277 1.00 0.85 H new ATOM 0 HD13 ILE A 111 -18.476 -5.721 20.402 1.00 0.85 H new ATOM 1727 N GLY A 112 -14.071 -3.969 23.907 1.00 1.08 N ATOM 1728 CA GLY A 112 -13.630 -4.171 25.315 1.00 1.23 C ATOM 1729 C GLY A 112 -14.877 -4.242 26.198 1.00 1.37 C ATOM 1730 O GLY A 112 -15.646 -5.181 26.131 1.00 1.43 O ATOM 0 H GLY A 112 -14.321 -3.010 23.664 1.00 1.08 H new ATOM 0 HA2 GLY A 112 -13.048 -5.088 25.404 1.00 1.23 H new ATOM 0 HA3 GLY A 112 -12.985 -3.352 25.633 1.00 1.23 H new ATOM 1734 N ASP A 113 -15.099 -3.242 27.003 1.00 1.44 N ATOM 1735 CA ASP A 113 -16.304 -3.216 27.868 1.00 1.60 C ATOM 1736 C ASP A 113 -16.751 -1.766 27.980 1.00 1.51 C ATOM 1737 O ASP A 113 -17.569 -1.412 28.805 1.00 1.54 O ATOM 1738 CB ASP A 113 -15.952 -3.739 29.253 1.00 1.77 C ATOM 1739 CG ASP A 113 -17.236 -4.008 30.041 1.00 2.25 C ATOM 1740 OD1 ASP A 113 -17.857 -5.028 29.794 1.00 1.88 O ATOM 1741 OD2 ASP A 113 -17.575 -3.189 30.880 1.00 3.14 O ATOM 0 H ASP A 113 -14.487 -2.432 27.098 1.00 1.44 H new ATOM 0 HA ASP A 113 -17.093 -3.839 27.446 1.00 1.60 H new ATOM 0 HB2 ASP A 113 -15.366 -4.654 29.169 1.00 1.77 H new ATOM 0 HB3 ASP A 113 -15.334 -3.012 29.781 1.00 1.77 H new ATOM 1746 N ASN A 114 -16.195 -0.922 27.158 1.00 1.38 N ATOM 1747 CA ASN A 114 -16.545 0.506 27.209 1.00 1.27 C ATOM 1748 C ASN A 114 -16.951 0.982 25.813 1.00 1.16 C ATOM 1749 O ASN A 114 -17.795 1.841 25.655 1.00 1.20 O ATOM 1750 CB ASN A 114 -15.326 1.289 27.687 1.00 1.13 C ATOM 1751 CG ASN A 114 -14.065 0.604 27.159 1.00 1.93 C ATOM 1752 OD1 ASN A 114 -13.876 0.504 25.963 1.00 4.15 O ATOM 1753 ND2 ASN A 114 -13.193 0.116 27.999 1.00 1.21 N ATOM 0 H ASN A 114 -15.506 -1.172 26.448 1.00 1.38 H new ATOM 0 HA ASN A 114 -17.378 0.664 27.894 1.00 1.27 H new ATOM 0 HB2 ASN A 114 -15.374 2.318 27.331 1.00 1.13 H new ATOM 0 HB3 ASN A 114 -15.306 1.329 28.776 1.00 1.13 H new ATOM 0 HD21 ASN A 114 -12.354 -0.349 27.651 1.00 1.21 H new ATOM 0 HD22 ASN A 114 -13.350 0.199 29.003 1.00 1.21 H new ATOM 1760 N GLY A 115 -16.349 0.424 24.799 1.00 1.07 N ATOM 1761 CA GLY A 115 -16.683 0.828 23.404 1.00 1.04 C ATOM 1762 C GLY A 115 -15.831 0.013 22.429 1.00 1.03 C ATOM 1763 O GLY A 115 -14.780 -0.489 22.777 1.00 1.69 O ATOM 0 H GLY A 115 -15.635 -0.300 24.878 1.00 1.07 H new ATOM 0 HA2 GLY A 115 -17.742 0.661 23.208 1.00 1.04 H new ATOM 0 HA3 GLY A 115 -16.497 1.893 23.266 1.00 1.04 H new ATOM 1767 N VAL A 116 -16.277 -0.131 21.212 1.00 0.90 N ATOM 1768 CA VAL A 116 -15.489 -0.924 20.221 1.00 0.75 C ATOM 1769 C VAL A 116 -14.079 -0.338 20.086 1.00 0.71 C ATOM 1770 O VAL A 116 -13.894 0.750 19.579 1.00 0.73 O ATOM 1771 CB VAL A 116 -16.182 -0.898 18.852 1.00 0.66 C ATOM 1772 CG1 VAL A 116 -16.921 0.430 18.664 1.00 0.74 C ATOM 1773 CG2 VAL A 116 -15.129 -1.047 17.752 1.00 0.62 C ATOM 0 H VAL A 116 -17.149 0.263 20.860 1.00 0.90 H new ATOM 0 HA VAL A 116 -15.423 -1.954 20.572 1.00 0.75 H new ATOM 0 HB VAL A 116 -16.898 -1.718 18.797 1.00 0.66 H new ATOM 0 HG11 VAL A 116 -17.410 0.440 17.690 1.00 0.74 H new ATOM 0 HG12 VAL A 116 -17.671 0.543 19.447 1.00 0.74 H new ATOM 0 HG13 VAL A 116 -16.209 1.254 18.721 1.00 0.74 H new ATOM 0 HG21 VAL A 116 -15.616 -1.029 16.777 1.00 0.62 H new ATOM 0 HG22 VAL A 116 -14.416 -0.225 17.817 1.00 0.62 H new ATOM 0 HG23 VAL A 116 -14.603 -1.993 17.878 1.00 0.62 H new ATOM 1783 N LEU A 117 -13.083 -1.064 20.520 1.00 0.71 N ATOM 1784 CA LEU A 117 -11.683 -0.567 20.404 1.00 0.71 C ATOM 1785 C LEU A 117 -11.405 -0.231 18.941 1.00 0.73 C ATOM 1786 O LEU A 117 -11.241 0.914 18.566 1.00 1.08 O ATOM 1787 CB LEU A 117 -10.720 -1.673 20.843 1.00 0.71 C ATOM 1788 CG LEU A 117 -10.789 -1.858 22.358 1.00 0.63 C ATOM 1789 CD1 LEU A 117 -10.766 -3.356 22.690 1.00 0.63 C ATOM 1790 CD2 LEU A 117 -9.579 -1.167 22.997 1.00 0.58 C ATOM 0 H LEU A 117 -13.180 -1.983 20.951 1.00 0.71 H new ATOM 0 HA LEU A 117 -11.548 0.315 21.030 1.00 0.71 H new ATOM 0 HB2 LEU A 117 -10.975 -2.607 20.343 1.00 0.71 H new ATOM 0 HB3 LEU A 117 -9.702 -1.419 20.546 1.00 0.71 H new ATOM 0 HG LEU A 117 -11.709 -1.420 22.746 1.00 0.63 H new ATOM 0 HD11 LEU A 117 -10.815 -3.490 23.771 1.00 0.63 H new ATOM 0 HD12 LEU A 117 -11.622 -3.845 22.224 1.00 0.63 H new ATOM 0 HD13 LEU A 117 -9.845 -3.799 22.311 1.00 0.63 H new ATOM 0 HD21 LEU A 117 -9.618 -1.293 24.079 1.00 0.58 H new ATOM 0 HD22 LEU A 117 -8.661 -1.612 22.613 1.00 0.58 H new ATOM 0 HD23 LEU A 117 -9.597 -0.105 22.754 1.00 0.58 H new ATOM 1802 N ALA A 118 -11.361 -1.238 18.117 1.00 0.45 N ATOM 1803 CA ALA A 118 -11.106 -1.025 16.664 1.00 0.48 C ATOM 1804 C ALA A 118 -12.169 -1.786 15.874 1.00 0.30 C ATOM 1805 O ALA A 118 -13.043 -2.398 16.449 1.00 0.18 O ATOM 1806 CB ALA A 118 -9.717 -1.558 16.306 1.00 0.66 C ATOM 0 H ALA A 118 -11.492 -2.212 18.390 1.00 0.45 H new ATOM 0 HA ALA A 118 -11.150 0.037 16.424 1.00 0.48 H new ATOM 0 HB1 ALA A 118 -9.530 -1.402 15.243 1.00 0.66 H new ATOM 0 HB2 ALA A 118 -8.963 -1.029 16.888 1.00 0.66 H new ATOM 0 HB3 ALA A 118 -9.667 -2.623 16.531 1.00 0.66 H new ATOM 1812 N CYS A 119 -12.106 -1.766 14.567 1.00 0.34 N ATOM 1813 CA CYS A 119 -13.133 -2.508 13.773 1.00 0.19 C ATOM 1814 C CYS A 119 -13.029 -2.131 12.294 1.00 0.48 C ATOM 1815 O CYS A 119 -12.545 -1.078 11.946 1.00 0.86 O ATOM 1816 CB CYS A 119 -14.533 -2.166 14.297 1.00 0.48 C ATOM 1817 SG CYS A 119 -15.395 -1.103 13.116 1.00 0.86 S ATOM 0 H CYS A 119 -11.398 -1.275 14.021 1.00 0.34 H new ATOM 0 HA CYS A 119 -12.958 -3.579 13.877 1.00 0.19 H new ATOM 0 HB2 CYS A 119 -15.103 -3.081 14.458 1.00 0.48 H new ATOM 0 HB3 CYS A 119 -14.456 -1.664 15.262 1.00 0.48 H new ATOM 1822 N ALA A 120 -13.479 -2.992 11.422 1.00 0.39 N ATOM 1823 CA ALA A 120 -13.406 -2.688 9.964 1.00 0.71 C ATOM 1824 C ALA A 120 -14.066 -3.818 9.176 1.00 0.46 C ATOM 1825 O ALA A 120 -13.773 -4.980 9.374 1.00 0.60 O ATOM 1826 CB ALA A 120 -11.942 -2.567 9.542 1.00 1.22 C ATOM 0 H ALA A 120 -13.894 -3.894 11.656 1.00 0.39 H new ATOM 0 HA ALA A 120 -13.923 -1.750 9.762 1.00 0.71 H new ATOM 0 HB1 ALA A 120 -11.888 -2.345 8.476 1.00 1.22 H new ATOM 0 HB2 ALA A 120 -11.466 -1.764 10.105 1.00 1.22 H new ATOM 0 HB3 ALA A 120 -11.426 -3.506 9.744 1.00 1.22 H new ATOM 1832 N ILE A 121 -14.958 -3.490 8.282 1.00 0.42 N ATOM 1833 CA ILE A 121 -15.632 -4.553 7.486 1.00 0.16 C ATOM 1834 C ILE A 121 -15.410 -4.305 5.994 1.00 0.19 C ATOM 1835 O ILE A 121 -15.608 -3.213 5.499 1.00 0.07 O ATOM 1836 CB ILE A 121 -17.133 -4.540 7.778 1.00 0.16 C ATOM 1837 CG1 ILE A 121 -17.363 -4.773 9.272 1.00 0.25 C ATOM 1838 CG2 ILE A 121 -17.816 -5.652 6.979 1.00 0.39 C ATOM 1839 CD1 ILE A 121 -18.196 -3.625 9.844 1.00 0.77 C ATOM 0 H ILE A 121 -15.248 -2.536 8.069 1.00 0.42 H new ATOM 0 HA ILE A 121 -15.212 -5.521 7.760 1.00 0.16 H new ATOM 0 HB ILE A 121 -17.551 -3.575 7.491 1.00 0.16 H new ATOM 0 HG12 ILE A 121 -17.876 -5.722 9.428 1.00 0.25 H new ATOM 0 HG13 ILE A 121 -16.407 -4.838 9.792 1.00 0.25 H new ATOM 0 HG21 ILE A 121 -18.886 -5.644 7.186 1.00 0.39 H new ATOM 0 HG22 ILE A 121 -17.651 -5.489 5.914 1.00 0.39 H new ATOM 0 HG23 ILE A 121 -17.398 -6.616 7.267 1.00 0.39 H new ATOM 0 HD11 ILE A 121 -18.360 -3.790 10.909 1.00 0.77 H new ATOM 0 HD12 ILE A 121 -17.665 -2.684 9.701 1.00 0.77 H new ATOM 0 HD13 ILE A 121 -19.157 -3.582 9.331 1.00 0.77 H new ATOM 1851 N ALA A 122 -15.014 -5.317 5.272 1.00 0.44 N ATOM 1852 CA ALA A 122 -14.796 -5.148 3.809 1.00 0.55 C ATOM 1853 C ALA A 122 -16.132 -5.354 3.097 1.00 0.63 C ATOM 1854 O ALA A 122 -16.439 -4.699 2.120 1.00 2.26 O ATOM 1855 CB ALA A 122 -13.785 -6.185 3.313 1.00 0.44 C ATOM 0 H ALA A 122 -14.832 -6.254 5.633 1.00 0.44 H new ATOM 0 HA ALA A 122 -14.408 -4.151 3.601 1.00 0.55 H new ATOM 0 HB1 ALA A 122 -13.629 -6.057 2.242 1.00 0.44 H new ATOM 0 HB2 ALA A 122 -12.839 -6.050 3.836 1.00 0.44 H new ATOM 0 HB3 ALA A 122 -14.167 -7.187 3.507 1.00 0.44 H new ATOM 1861 N THR A 123 -16.933 -6.253 3.596 1.00 1.54 N ATOM 1862 CA THR A 123 -18.262 -6.508 2.975 1.00 1.32 C ATOM 1863 C THR A 123 -18.091 -7.071 1.565 1.00 1.06 C ATOM 1864 O THR A 123 -17.500 -6.452 0.703 1.00 1.17 O ATOM 1865 CB THR A 123 -19.052 -5.200 2.900 1.00 1.43 C ATOM 1866 OG1 THR A 123 -18.819 -4.437 4.076 1.00 1.74 O ATOM 1867 CG2 THR A 123 -20.542 -5.516 2.779 1.00 1.23 C ATOM 0 H THR A 123 -16.722 -6.826 4.413 1.00 1.54 H new ATOM 0 HA THR A 123 -18.800 -7.233 3.586 1.00 1.32 H new ATOM 0 HB THR A 123 -18.730 -4.627 2.030 1.00 1.43 H new ATOM 0 HG1 THR A 123 -19.324 -3.598 4.027 1.00 1.74 H new ATOM 0 HG21 THR A 123 -21.108 -4.586 2.725 1.00 1.23 H new ATOM 0 HG22 THR A 123 -20.718 -6.100 1.876 1.00 1.23 H new ATOM 0 HG23 THR A 123 -20.865 -6.087 3.649 1.00 1.23 H new ATOM 1875 N HIS A 124 -18.621 -8.236 1.325 1.00 0.75 N ATOM 1876 CA HIS A 124 -18.520 -8.847 -0.031 1.00 0.51 C ATOM 1877 C HIS A 124 -17.083 -8.779 -0.551 1.00 0.55 C ATOM 1878 O HIS A 124 -16.655 -7.779 -1.094 1.00 1.00 O ATOM 1879 CB HIS A 124 -19.435 -8.096 -0.998 1.00 0.45 C ATOM 1880 CG HIS A 124 -20.749 -7.807 -0.329 1.00 1.20 C ATOM 1881 ND1 HIS A 124 -21.515 -6.702 -0.657 1.00 1.19 N ATOM 1882 CD2 HIS A 124 -21.445 -8.470 0.650 1.00 2.59 C ATOM 1883 CE1 HIS A 124 -22.618 -6.730 0.113 1.00 2.22 C ATOM 1884 NE2 HIS A 124 -22.626 -7.787 0.928 1.00 3.09 N ATOM 0 H HIS A 124 -19.124 -8.796 2.014 1.00 0.75 H new ATOM 0 HA HIS A 124 -18.822 -9.892 0.039 1.00 0.51 H new ATOM 0 HB2 HIS A 124 -18.963 -7.165 -1.312 1.00 0.45 H new ATOM 0 HB3 HIS A 124 -19.596 -8.690 -1.897 1.00 0.45 H new ATOM 0 HD2 HIS A 124 -21.126 -9.382 1.131 1.00 2.59 H new ATOM 0 HE1 HIS A 124 -23.402 -5.988 0.076 1.00 2.22 H new ATOM 0 HE2 HIS A 124 -23.343 -8.040 1.608 1.00 3.09 H new ATOM 1892 N GLY A 125 -16.346 -9.846 -0.415 1.00 1.12 N ATOM 1893 CA GLY A 125 -14.948 -9.865 -0.929 1.00 1.10 C ATOM 1894 C GLY A 125 -14.854 -10.927 -2.025 1.00 1.13 C ATOM 1895 O GLY A 125 -15.112 -12.092 -1.790 1.00 1.14 O ATOM 0 H GLY A 125 -16.653 -10.710 0.032 1.00 1.12 H new ATOM 0 HA2 GLY A 125 -14.675 -8.886 -1.324 1.00 1.10 H new ATOM 0 HA3 GLY A 125 -14.250 -10.089 -0.122 1.00 1.10 H new ATOM 1899 N LYS A 126 -14.513 -10.544 -3.225 1.00 1.17 N ATOM 1900 CA LYS A 126 -14.437 -11.552 -4.320 1.00 1.22 C ATOM 1901 C LYS A 126 -13.191 -11.323 -5.176 1.00 0.94 C ATOM 1902 O LYS A 126 -12.829 -10.208 -5.488 1.00 0.93 O ATOM 1903 CB LYS A 126 -15.681 -11.438 -5.203 1.00 1.58 C ATOM 1904 CG LYS A 126 -16.737 -12.437 -4.726 1.00 1.90 C ATOM 1905 CD LYS A 126 -18.126 -11.829 -4.916 1.00 2.38 C ATOM 1906 CE LYS A 126 -18.871 -12.593 -6.010 1.00 1.46 C ATOM 1907 NZ LYS A 126 -20.245 -12.919 -5.537 1.00 2.76 N ATOM 0 H LYS A 126 -14.286 -9.586 -3.493 1.00 1.17 H new ATOM 0 HA LYS A 126 -14.383 -12.546 -3.876 1.00 1.22 H new ATOM 0 HB2 LYS A 126 -16.079 -10.424 -5.161 1.00 1.58 H new ATOM 0 HB3 LYS A 126 -15.421 -11.635 -6.243 1.00 1.58 H new ATOM 0 HG2 LYS A 126 -16.654 -13.368 -5.287 1.00 1.90 H new ATOM 0 HG3 LYS A 126 -16.575 -12.682 -3.676 1.00 1.90 H new ATOM 0 HD2 LYS A 126 -18.685 -11.873 -3.981 1.00 2.38 H new ATOM 0 HD3 LYS A 126 -18.040 -10.777 -5.186 1.00 2.38 H new ATOM 0 HE2 LYS A 126 -18.920 -11.993 -6.919 1.00 1.46 H new ATOM 0 HE3 LYS A 126 -18.334 -13.508 -6.260 1.00 1.46 H new ATOM 0 HZ1 LYS A 126 -20.754 -13.439 -6.280 1.00 2.76 H new ATOM 0 HZ2 LYS A 126 -20.187 -13.507 -4.681 1.00 2.76 H new ATOM 0 HZ3 LYS A 126 -20.755 -12.039 -5.319 1.00 2.76 H new ATOM 1921 N ILE A 127 -12.552 -12.387 -5.567 1.00 0.80 N ATOM 1922 CA ILE A 127 -11.332 -12.285 -6.420 1.00 0.73 C ATOM 1923 C ILE A 127 -11.775 -12.139 -7.875 1.00 1.00 C ATOM 1924 O ILE A 127 -12.799 -12.651 -8.244 1.00 1.15 O ATOM 1925 CB ILE A 127 -10.527 -13.579 -6.248 1.00 0.67 C ATOM 1926 CG1 ILE A 127 -9.788 -13.533 -4.914 1.00 0.62 C ATOM 1927 CG2 ILE A 127 -9.525 -13.759 -7.388 1.00 0.89 C ATOM 1928 CD1 ILE A 127 -10.793 -13.787 -3.795 1.00 0.37 C ATOM 0 H ILE A 127 -12.826 -13.340 -5.329 1.00 0.80 H new ATOM 0 HA ILE A 127 -10.720 -11.428 -6.138 1.00 0.73 H new ATOM 0 HB ILE A 127 -11.215 -14.424 -6.266 1.00 0.67 H new ATOM 0 HG12 ILE A 127 -8.999 -14.284 -4.892 1.00 0.62 H new ATOM 0 HG13 ILE A 127 -9.309 -12.563 -4.780 1.00 0.62 H new ATOM 0 HG21 ILE A 127 -8.968 -14.684 -7.240 1.00 0.89 H new ATOM 0 HG22 ILE A 127 -10.058 -13.804 -8.338 1.00 0.89 H new ATOM 0 HG23 ILE A 127 -8.833 -12.917 -7.400 1.00 0.89 H new ATOM 0 HD11 ILE A 127 -10.281 -13.758 -2.833 1.00 0.37 H new ATOM 0 HD12 ILE A 127 -11.566 -13.019 -3.819 1.00 0.37 H new ATOM 0 HD13 ILE A 127 -11.251 -14.766 -3.933 1.00 0.37 H new ATOM 1940 N ARG A 128 -11.006 -11.456 -8.689 1.00 1.16 N ATOM 1941 CA ARG A 128 -11.355 -11.273 -10.139 1.00 1.50 C ATOM 1942 C ARG A 128 -11.080 -9.827 -10.536 1.00 1.78 C ATOM 1943 O ARG A 128 -10.052 -9.506 -11.097 1.00 1.94 O ATOM 1944 CB ARG A 128 -12.819 -11.591 -10.410 1.00 1.65 C ATOM 1945 CG ARG A 128 -13.275 -10.973 -11.737 1.00 2.04 C ATOM 1946 CD ARG A 128 -14.340 -9.903 -11.469 1.00 2.24 C ATOM 1947 NE ARG A 128 -15.547 -10.179 -12.302 1.00 2.31 N ATOM 1948 CZ ARG A 128 -15.914 -9.331 -13.229 1.00 2.65 C ATOM 1949 NH1 ARG A 128 -15.162 -9.141 -14.279 1.00 2.06 N ATOM 1950 NH2 ARG A 128 -17.037 -8.676 -13.110 1.00 3.86 N ATOM 0 H ARG A 128 -10.134 -11.008 -8.406 1.00 1.16 H new ATOM 0 HA ARG A 128 -10.744 -11.960 -10.725 1.00 1.50 H new ATOM 0 HB2 ARG A 128 -12.962 -12.671 -10.439 1.00 1.65 H new ATOM 0 HB3 ARG A 128 -13.435 -11.210 -9.596 1.00 1.65 H new ATOM 0 HG2 ARG A 128 -12.424 -10.531 -12.255 1.00 2.04 H new ATOM 0 HG3 ARG A 128 -13.679 -11.747 -12.390 1.00 2.04 H new ATOM 0 HD2 ARG A 128 -14.608 -9.899 -10.412 1.00 2.24 H new ATOM 0 HD3 ARG A 128 -13.944 -8.915 -11.701 1.00 2.24 H new ATOM 0 HE ARG A 128 -16.087 -11.030 -12.149 1.00 2.31 H new ATOM 0 HH11 ARG A 128 -14.286 -9.654 -14.379 1.00 2.06 H new ATOM 0 HH12 ARG A 128 -15.450 -8.480 -15.000 1.00 2.06 H new ATOM 0 HH21 ARG A 128 -17.630 -8.825 -12.294 1.00 3.86 H new ATOM 0 HH22 ARG A 128 -17.321 -8.016 -13.833 1.00 3.86 H new ATOM 1964 N ASP A 129 -12.000 -8.952 -10.246 1.00 1.90 N ATOM 1965 CA ASP A 129 -11.804 -7.517 -10.602 1.00 2.17 C ATOM 1966 C ASP A 129 -11.252 -7.418 -12.023 1.00 2.12 C ATOM 1967 O ASP A 129 -10.073 -7.137 -12.160 1.00 3.16 O ATOM 1968 CB ASP A 129 -10.811 -6.877 -9.630 1.00 2.93 C ATOM 1969 CG ASP A 129 -10.823 -5.359 -9.819 1.00 3.43 C ATOM 1970 OD1 ASP A 129 -10.186 -4.892 -10.749 1.00 3.21 O ATOM 1971 OD2 ASP A 129 -11.468 -4.688 -9.031 1.00 4.22 O ATOM 1972 OXT ASP A 129 -12.016 -7.627 -12.949 1.00 2.40 O ATOM 0 H ASP A 129 -12.880 -9.167 -9.778 1.00 1.90 H new ATOM 0 HA ASP A 129 -12.760 -6.996 -10.541 1.00 2.17 H new ATOM 0 HB2 ASP A 129 -11.076 -7.129 -8.603 1.00 2.93 H new ATOM 0 HB3 ASP A 129 -9.809 -7.269 -9.806 1.00 2.93 H new TER 1977 ASP A 129