USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 THR OG1 : rot -95:sc= 1.18 USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 90 LYS NZ :NH3+ 170:sc= 0 (180deg=0) USER MOD Set 3.1: A 37 MET CE :methyl -147:sc= -0.746 (180deg=-2.43!) USER MOD Set 3.2: A 48 LYS NZ :NH3+ -163:sc= -0.492 (180deg=-0.821) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0331 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0008) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 110:sc= -0.66 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 35 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.55) USER MOD Single : A 41 THR OG1 : rot 40:sc= 0.0214 USER MOD Single : A 43 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.61) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.41 X(o=-0.41,f=-0.53) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -144:sc= 0.684 USER MOD Single : A 71 ASN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 80 SER OG : rot -50:sc= 1.14 USER MOD Single : A 82 LYS NZ :NH3+ -122:sc= -0.717 (180deg=-4.68!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.296 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -2.57! F(o=-3.5,f=-2.6!) USER MOD Single : A 94 ASN : amide:sc= -1.08 X(o=-1.1,f=-0.6) USER MOD Single : A 98 GLN : amide:sc= -0.163 K(o=-0.16,f=-1!) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -131:sc= -2.1 (180deg=-6.55!) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.668 USER MOD Single : A 109 THR OG1 : rot -98:sc= 1.84 USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0224) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.762 K(o=-0.76,f=-4.1!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 ASN : amide:sc= 0.24 K(o=0.24,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.203 -22.338 -9.497 1.00 74.13 N ATOM 2 CA GLY A 1 -12.642 -22.186 -8.167 1.00 64.54 C ATOM 3 C GLY A 1 -12.776 -23.444 -7.334 1.00 62.53 C ATOM 4 O GLY A 1 -13.724 -24.211 -7.502 1.00 43.43 O ATOM 0 H1 GLY A 1 -13.746 -21.486 -9.744 1.00 74.13 H new ATOM 0 H2 GLY A 1 -12.434 -22.470 -10.185 1.00 74.13 H new ATOM 0 H3 GLY A 1 -13.831 -23.167 -9.516 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -11.588 -21.919 -8.249 1.00 64.54 H new ATOM 0 HA3 GLY A 1 -13.141 -21.362 -7.658 1.00 64.54 H new ATOM 10 N SER A 2 -11.821 -23.660 -6.434 1.00 10.15 N ATOM 11 CA SER A 2 -11.833 -24.839 -5.575 1.00 14.11 C ATOM 12 C SER A 2 -11.755 -24.440 -4.104 1.00 50.54 C ATOM 13 O SER A 2 -12.392 -25.051 -3.247 1.00 34.42 O ATOM 14 CB SER A 2 -10.666 -25.765 -5.927 1.00 55.21 C ATOM 15 OG SER A 2 -9.425 -25.106 -5.758 1.00 64.50 O ATOM 0 H SER A 2 -11.030 -23.034 -6.281 1.00 10.15 H new ATOM 0 HA SER A 2 -12.771 -25.369 -5.741 1.00 14.11 H new ATOM 0 HB2 SER A 2 -10.699 -26.653 -5.296 1.00 55.21 H new ATOM 0 HB3 SER A 2 -10.764 -26.103 -6.958 1.00 55.21 H new ATOM 0 HG SER A 2 -8.695 -25.719 -5.987 1.00 64.50 H new ATOM 21 N LYS A 3 -10.967 -23.407 -3.819 1.00 72.40 N ATOM 22 CA LYS A 3 -10.805 -22.923 -2.454 1.00 70.52 C ATOM 23 C LYS A 3 -10.175 -21.534 -2.441 1.00 35.11 C ATOM 24 O LYS A 3 -9.456 -21.159 -3.365 1.00 60.44 O ATOM 25 CB LYS A 3 -9.939 -23.895 -1.647 1.00 12.44 C ATOM 26 CG LYS A 3 -10.723 -24.708 -0.632 1.00 15.30 C ATOM 27 CD LYS A 3 -10.624 -26.198 -0.914 1.00 65.02 C ATOM 28 CE LYS A 3 -11.236 -27.021 0.208 1.00 32.01 C ATOM 29 NZ LYS A 3 -12.397 -27.825 -0.264 1.00 64.04 N ATOM 0 H LYS A 3 -10.431 -22.890 -4.516 1.00 72.40 H new ATOM 0 HA LYS A 3 -11.793 -22.859 -1.997 1.00 70.52 H new ATOM 0 HB2 LYS A 3 -9.435 -24.575 -2.333 1.00 12.44 H new ATOM 0 HB3 LYS A 3 -9.163 -23.332 -1.128 1.00 12.44 H new ATOM 0 HG2 LYS A 3 -10.347 -24.501 0.370 1.00 15.30 H new ATOM 0 HG3 LYS A 3 -11.769 -24.402 -0.650 1.00 15.30 H new ATOM 0 HD2 LYS A 3 -11.131 -26.426 -1.852 1.00 65.02 H new ATOM 0 HD3 LYS A 3 -9.578 -26.476 -1.041 1.00 65.02 H new ATOM 0 HE2 LYS A 3 -10.480 -27.686 0.625 1.00 32.01 H new ATOM 0 HE3 LYS A 3 -11.556 -26.358 1.012 1.00 32.01 H new ATOM 0 HZ1 LYS A 3 -12.786 -28.372 0.530 1.00 64.04 H new ATOM 0 HZ2 LYS A 3 -13.130 -27.189 -0.639 1.00 64.04 H new ATOM 0 HZ3 LYS A 3 -12.087 -28.476 -1.013 1.00 64.04 H new ATOM 43 N ASN A 4 -10.450 -20.774 -1.385 1.00 12.11 N ATOM 44 CA ASN A 4 -9.910 -19.426 -1.251 1.00 31.20 C ATOM 45 C ASN A 4 -9.315 -19.214 0.136 1.00 12.41 C ATOM 46 O ASN A 4 -8.108 -19.022 0.285 1.00 3.25 O ATOM 47 CB ASN A 4 -11.003 -18.388 -1.516 1.00 21.34 C ATOM 48 CG ASN A 4 -10.440 -16.993 -1.711 1.00 2.34 C ATOM 49 OD1 ASN A 4 -10.525 -16.148 -0.821 1.00 12.35 O ATOM 50 ND2 ASN A 4 -9.861 -16.748 -2.880 1.00 1.22 N ATOM 0 H ASN A 4 -11.044 -21.069 -0.610 1.00 12.11 H new ATOM 0 HA ASN A 4 -9.117 -19.304 -1.988 1.00 31.20 H new ATOM 0 HB2 ASN A 4 -11.567 -18.677 -2.403 1.00 21.34 H new ATOM 0 HB3 ASN A 4 -11.704 -18.381 -0.681 1.00 21.34 H new ATOM 0 HD21 ASN A 4 -9.464 -15.828 -3.069 1.00 1.22 H new ATOM 0 HD22 ASN A 4 -9.814 -17.480 -3.589 1.00 1.22 H new ATOM 57 N LYS A 5 -10.171 -19.251 1.153 1.00 13.10 N ATOM 58 CA LYS A 5 -9.732 -19.064 2.530 1.00 2.44 C ATOM 59 C LYS A 5 -9.071 -17.701 2.711 1.00 24.44 C ATOM 60 O LYS A 5 -8.877 -16.960 1.747 1.00 45.10 O ATOM 61 CB LYS A 5 -8.755 -20.173 2.931 1.00 73.24 C ATOM 62 CG LYS A 5 -9.221 -20.990 4.124 1.00 41.01 C ATOM 63 CD LYS A 5 -10.331 -21.953 3.741 1.00 73.21 C ATOM 64 CE LYS A 5 -10.041 -23.363 4.233 1.00 14.11 C ATOM 65 NZ LYS A 5 -10.047 -23.444 5.720 1.00 5.25 N ATOM 0 H LYS A 5 -11.173 -19.409 1.048 1.00 13.10 H new ATOM 0 HA LYS A 5 -10.610 -19.111 3.174 1.00 2.44 H new ATOM 0 HB2 LYS A 5 -8.605 -20.839 2.081 1.00 73.24 H new ATOM 0 HB3 LYS A 5 -7.787 -19.728 3.162 1.00 73.24 H new ATOM 0 HG2 LYS A 5 -8.380 -21.548 4.535 1.00 41.01 H new ATOM 0 HG3 LYS A 5 -9.573 -20.321 4.909 1.00 41.01 H new ATOM 0 HD2 LYS A 5 -11.275 -21.607 4.161 1.00 73.21 H new ATOM 0 HD3 LYS A 5 -10.449 -21.962 2.657 1.00 73.21 H new ATOM 0 HE2 LYS A 5 -10.786 -24.049 3.829 1.00 14.11 H new ATOM 0 HE3 LYS A 5 -9.071 -23.687 3.856 1.00 14.11 H new ATOM 0 HZ1 LYS A 5 -9.862 -24.424 6.015 1.00 5.25 H new ATOM 0 HZ2 LYS A 5 -9.308 -22.821 6.105 1.00 5.25 H new ATOM 0 HZ3 LYS A 5 -10.975 -23.143 6.080 1.00 5.25 H new ATOM 79 N LYS A 6 -8.724 -17.376 3.952 1.00 32.52 N ATOM 80 CA LYS A 6 -8.082 -16.103 4.260 1.00 32.35 C ATOM 81 C LYS A 6 -7.495 -16.117 5.667 1.00 22.20 C ATOM 82 O LYS A 6 -6.404 -15.597 5.898 1.00 31.03 O ATOM 83 CB LYS A 6 -9.085 -14.957 4.126 1.00 52.13 C ATOM 84 CG LYS A 6 -10.367 -15.174 4.912 1.00 71.33 C ATOM 85 CD LYS A 6 -11.424 -14.143 4.553 1.00 61.22 C ATOM 86 CE LYS A 6 -12.602 -14.194 5.513 1.00 1.30 C ATOM 87 NZ LYS A 6 -13.694 -13.272 5.100 1.00 54.44 N ATOM 0 H LYS A 6 -8.877 -17.977 4.762 1.00 32.52 H new ATOM 0 HA LYS A 6 -7.271 -15.952 3.548 1.00 32.35 H new ATOM 0 HB2 LYS A 6 -8.615 -14.033 4.462 1.00 52.13 H new ATOM 0 HB3 LYS A 6 -9.333 -14.824 3.073 1.00 52.13 H new ATOM 0 HG2 LYS A 6 -10.751 -16.174 4.713 1.00 71.33 H new ATOM 0 HG3 LYS A 6 -10.154 -15.121 5.980 1.00 71.33 H new ATOM 0 HD2 LYS A 6 -10.982 -13.147 4.570 1.00 61.22 H new ATOM 0 HD3 LYS A 6 -11.774 -14.319 3.536 1.00 61.22 H new ATOM 0 HE2 LYS A 6 -12.986 -15.213 5.562 1.00 1.30 H new ATOM 0 HE3 LYS A 6 -12.265 -13.931 6.516 1.00 1.30 H new ATOM 0 HZ1 LYS A 6 -14.478 -13.336 5.780 1.00 54.44 H new ATOM 0 HZ2 LYS A 6 -13.335 -12.296 5.077 1.00 54.44 H new ATOM 0 HZ3 LYS A 6 -14.034 -13.538 4.154 1.00 54.44 H new ATOM 101 N GLU A 7 -8.225 -16.716 6.603 1.00 31.23 N ATOM 102 CA GLU A 7 -7.775 -16.797 7.987 1.00 24.30 C ATOM 103 C GLU A 7 -7.559 -15.404 8.571 1.00 23.54 C ATOM 104 O GLU A 7 -7.874 -14.396 7.938 1.00 13.31 O ATOM 105 CB GLU A 7 -6.479 -17.607 8.079 1.00 42.21 C ATOM 106 CG GLU A 7 -6.478 -18.626 9.205 1.00 15.31 C ATOM 107 CD GLU A 7 -5.098 -19.196 9.476 1.00 53.24 C ATOM 108 OE1 GLU A 7 -4.158 -18.854 8.728 1.00 51.24 O ATOM 109 OE2 GLU A 7 -4.959 -19.982 10.435 1.00 14.35 O ATOM 0 H GLU A 7 -9.130 -17.152 6.428 1.00 31.23 H new ATOM 0 HA GLU A 7 -8.551 -17.299 8.566 1.00 24.30 H new ATOM 0 HB2 GLU A 7 -6.315 -18.123 7.133 1.00 42.21 H new ATOM 0 HB3 GLU A 7 -5.642 -16.923 8.218 1.00 42.21 H new ATOM 0 HG2 GLU A 7 -6.859 -18.159 10.113 1.00 15.31 H new ATOM 0 HG3 GLU A 7 -7.160 -19.439 8.955 1.00 15.31 H new ATOM 116 N LYS A 8 -7.018 -15.355 9.784 1.00 1.24 N ATOM 117 CA LYS A 8 -6.759 -14.087 10.456 1.00 53.41 C ATOM 118 C LYS A 8 -5.772 -14.271 11.605 1.00 42.02 C ATOM 119 O LYS A 8 -5.827 -15.266 12.327 1.00 5.02 O ATOM 120 CB LYS A 8 -8.065 -13.487 10.982 1.00 12.24 C ATOM 121 CG LYS A 8 -8.672 -14.271 12.133 1.00 54.14 C ATOM 122 CD LYS A 8 -10.187 -14.149 12.152 1.00 2.31 C ATOM 123 CE LYS A 8 -10.833 -15.324 12.869 1.00 25.35 C ATOM 124 NZ LYS A 8 -12.278 -15.450 12.539 1.00 72.34 N ATOM 0 H LYS A 8 -6.750 -16.179 10.322 1.00 1.24 H new ATOM 0 HA LYS A 8 -6.320 -13.403 9.729 1.00 53.41 H new ATOM 0 HB2 LYS A 8 -7.880 -12.463 11.308 1.00 12.24 H new ATOM 0 HB3 LYS A 8 -8.787 -13.437 10.167 1.00 12.24 H new ATOM 0 HG2 LYS A 8 -8.391 -15.321 12.048 1.00 54.14 H new ATOM 0 HG3 LYS A 8 -8.265 -13.908 13.077 1.00 54.14 H new ATOM 0 HD2 LYS A 8 -10.472 -13.220 12.645 1.00 2.31 H new ATOM 0 HD3 LYS A 8 -10.561 -14.095 11.130 1.00 2.31 H new ATOM 0 HE2 LYS A 8 -10.317 -16.244 12.596 1.00 25.35 H new ATOM 0 HE3 LYS A 8 -10.716 -15.201 13.946 1.00 25.35 H new ATOM 0 HZ1 LYS A 8 -12.681 -16.263 13.048 1.00 72.34 H new ATOM 0 HZ2 LYS A 8 -12.776 -14.582 12.823 1.00 72.34 H new ATOM 0 HZ3 LYS A 8 -12.389 -15.593 11.515 1.00 72.34 H new ATOM 138 N ASN A 9 -4.874 -13.305 11.770 1.00 73.25 N ATOM 139 CA ASN A 9 -3.877 -13.363 12.831 1.00 2.02 C ATOM 140 C ASN A 9 -3.097 -12.054 12.915 1.00 25.12 C ATOM 141 O ASN A 9 -2.119 -11.853 12.195 1.00 71.41 O ATOM 142 CB ASN A 9 -2.915 -14.528 12.594 1.00 1.35 C ATOM 143 CG ASN A 9 -2.343 -15.077 13.889 1.00 65.54 C ATOM 144 OD1 ASN A 9 -2.956 -14.964 14.949 1.00 44.25 O ATOM 145 ND2 ASN A 9 -1.160 -15.675 13.803 1.00 30.14 N ATOM 0 H ASN A 9 -4.817 -12.473 11.182 1.00 73.25 H new ATOM 0 HA ASN A 9 -4.397 -13.518 13.776 1.00 2.02 H new ATOM 0 HB2 ASN A 9 -3.437 -15.325 12.064 1.00 1.35 H new ATOM 0 HB3 ASN A 9 -2.099 -14.198 11.951 1.00 1.35 H new ATOM 0 HD21 ASN A 9 -0.723 -16.064 14.639 1.00 30.14 H new ATOM 0 HD22 ASN A 9 -0.688 -15.745 12.901 1.00 30.14 H new ATOM 152 N LYS A 10 -3.535 -11.166 13.800 1.00 42.11 N ATOM 153 CA LYS A 10 -2.878 -9.876 13.981 1.00 73.54 C ATOM 154 C LYS A 10 -3.409 -9.164 15.222 1.00 64.50 C ATOM 155 O LYS A 10 -4.534 -9.408 15.655 1.00 42.21 O ATOM 156 CB LYS A 10 -3.088 -8.997 12.746 1.00 23.00 C ATOM 157 CG LYS A 10 -1.815 -8.743 11.957 1.00 30.24 C ATOM 158 CD LYS A 10 -2.116 -8.427 10.502 1.00 44.24 C ATOM 159 CE LYS A 10 -0.839 -8.259 9.693 1.00 42.02 C ATOM 160 NZ LYS A 10 -0.887 -9.021 8.413 1.00 34.35 N ATOM 0 H LYS A 10 -4.343 -11.315 14.404 1.00 42.11 H new ATOM 0 HA LYS A 10 -1.811 -10.055 14.115 1.00 73.54 H new ATOM 0 HB2 LYS A 10 -3.821 -9.471 12.094 1.00 23.00 H new ATOM 0 HB3 LYS A 10 -3.509 -8.041 13.058 1.00 23.00 H new ATOM 0 HG2 LYS A 10 -1.267 -7.914 12.405 1.00 30.24 H new ATOM 0 HG3 LYS A 10 -1.169 -9.619 12.014 1.00 30.24 H new ATOM 0 HD2 LYS A 10 -2.718 -9.227 10.072 1.00 44.24 H new ATOM 0 HD3 LYS A 10 -2.709 -7.514 10.442 1.00 44.24 H new ATOM 0 HE2 LYS A 10 -0.681 -7.202 9.480 1.00 42.02 H new ATOM 0 HE3 LYS A 10 0.012 -8.596 10.284 1.00 42.02 H new ATOM 0 HZ1 LYS A 10 0.002 -8.880 7.892 1.00 34.35 H new ATOM 0 HZ2 LYS A 10 -1.013 -10.033 8.616 1.00 34.35 H new ATOM 0 HZ3 LYS A 10 -1.684 -8.682 7.837 1.00 34.35 H new ATOM 174 N GLY A 11 -2.590 -8.284 15.788 1.00 54.40 N ATOM 175 CA GLY A 11 -2.996 -7.549 16.973 1.00 42.02 C ATOM 176 C GLY A 11 -2.357 -6.177 17.052 1.00 25.20 C ATOM 177 O GLY A 11 -1.242 -5.975 16.569 1.00 41.41 O ATOM 0 H GLY A 11 -1.653 -8.066 15.448 1.00 54.40 H new ATOM 0 HA2 GLY A 11 -4.081 -7.442 16.976 1.00 42.02 H new ATOM 0 HA3 GLY A 11 -2.730 -8.122 17.861 1.00 42.02 H new ATOM 181 N GLY A 12 -3.063 -5.229 17.660 1.00 34.44 N ATOM 182 CA GLY A 12 -2.543 -3.881 17.788 1.00 31.55 C ATOM 183 C GLY A 12 -3.501 -2.955 18.511 1.00 11.11 C ATOM 184 O GLY A 12 -4.653 -3.311 18.756 1.00 33.10 O ATOM 0 H GLY A 12 -3.987 -5.371 18.067 1.00 34.44 H new ATOM 0 HA2 GLY A 12 -1.595 -3.910 18.326 1.00 31.55 H new ATOM 0 HA3 GLY A 12 -2.334 -3.480 16.796 1.00 31.55 H new ATOM 188 N LYS A 13 -3.025 -1.763 18.854 1.00 63.22 N ATOM 189 CA LYS A 13 -3.846 -0.783 19.553 1.00 64.13 C ATOM 190 C LYS A 13 -3.179 0.589 19.546 1.00 74.45 C ATOM 191 O LYS A 13 -1.978 0.705 19.308 1.00 25.04 O ATOM 192 CB LYS A 13 -4.098 -1.232 20.994 1.00 61.53 C ATOM 193 CG LYS A 13 -2.828 -1.405 21.808 1.00 70.03 C ATOM 194 CD LYS A 13 -3.048 -2.329 22.994 1.00 4.14 C ATOM 195 CE LYS A 13 -1.795 -3.132 23.314 1.00 34.23 C ATOM 196 NZ LYS A 13 -2.113 -4.554 23.624 1.00 12.32 N ATOM 0 H LYS A 13 -2.073 -1.452 18.659 1.00 63.22 H new ATOM 0 HA LYS A 13 -4.800 -0.707 19.031 1.00 64.13 H new ATOM 0 HB2 LYS A 13 -4.739 -0.501 21.487 1.00 61.53 H new ATOM 0 HB3 LYS A 13 -4.643 -2.176 20.982 1.00 61.53 H new ATOM 0 HG2 LYS A 13 -2.040 -1.808 21.173 1.00 70.03 H new ATOM 0 HG3 LYS A 13 -2.486 -0.432 22.162 1.00 70.03 H new ATOM 0 HD2 LYS A 13 -3.338 -1.742 23.865 1.00 4.14 H new ATOM 0 HD3 LYS A 13 -3.872 -3.009 22.779 1.00 4.14 H new ATOM 0 HE2 LYS A 13 -1.110 -3.089 22.467 1.00 34.23 H new ATOM 0 HE3 LYS A 13 -1.281 -2.681 24.163 1.00 34.23 H new ATOM 0 HZ1 LYS A 13 -1.234 -5.068 23.837 1.00 12.32 H new ATOM 0 HZ2 LYS A 13 -2.747 -4.596 24.448 1.00 12.32 H new ATOM 0 HZ3 LYS A 13 -2.580 -4.992 22.805 1.00 12.32 H new ATOM 210 N GLY A 14 -3.967 1.627 19.811 1.00 62.22 N ATOM 211 CA GLY A 14 -3.434 2.976 19.833 1.00 61.44 C ATOM 212 C GLY A 14 -4.355 3.974 19.158 1.00 1.30 C ATOM 213 O GLY A 14 -5.560 3.747 19.057 1.00 51.04 O ATOM 0 H GLY A 14 -4.965 1.557 20.011 1.00 62.22 H new ATOM 0 HA2 GLY A 14 -3.267 3.281 20.866 1.00 61.44 H new ATOM 0 HA3 GLY A 14 -2.464 2.988 19.337 1.00 61.44 H new ATOM 217 N GLY A 15 -3.787 5.084 18.697 1.00 3.43 N ATOM 218 CA GLY A 15 -4.581 6.104 18.038 1.00 63.22 C ATOM 219 C GLY A 15 -4.443 6.060 16.529 1.00 62.22 C ATOM 220 O GLY A 15 -5.273 5.469 15.839 1.00 34.12 O ATOM 0 H GLY A 15 -2.792 5.295 18.768 1.00 3.43 H new ATOM 0 HA2 GLY A 15 -5.629 5.975 18.308 1.00 63.22 H new ATOM 0 HA3 GLY A 15 -4.277 7.087 18.399 1.00 63.22 H new ATOM 224 N ALA A 16 -3.391 6.690 16.014 1.00 75.13 N ATOM 225 CA ALA A 16 -3.147 6.720 14.577 1.00 24.43 C ATOM 226 C ALA A 16 -2.886 5.317 14.036 1.00 44.45 C ATOM 227 O ALA A 16 -2.250 4.496 14.694 1.00 15.11 O ATOM 228 CB ALA A 16 -1.976 7.637 14.259 1.00 3.42 C ATOM 0 H ALA A 16 -2.695 7.186 16.571 1.00 75.13 H new ATOM 0 HA ALA A 16 -4.041 7.109 14.089 1.00 24.43 H new ATOM 0 HB1 ALA A 16 -1.805 7.649 13.182 1.00 3.42 H new ATOM 0 HB2 ALA A 16 -2.201 8.647 14.602 1.00 3.42 H new ATOM 0 HB3 ALA A 16 -1.081 7.273 14.764 1.00 3.42 H new ATOM 234 N ASP A 17 -3.381 5.053 12.832 1.00 75.43 N ATOM 235 CA ASP A 17 -3.201 3.751 12.201 1.00 70.11 C ATOM 236 C ASP A 17 -3.865 2.652 13.024 1.00 2.40 C ATOM 237 O ASP A 17 -4.152 2.835 14.207 1.00 22.22 O ATOM 238 CB ASP A 17 -1.712 3.446 12.027 1.00 52.23 C ATOM 239 CG ASP A 17 -1.470 2.149 11.280 1.00 34.11 C ATOM 240 OD1 ASP A 17 -2.017 1.994 10.168 1.00 61.20 O ATOM 241 OD2 ASP A 17 -0.734 1.289 11.808 1.00 44.10 O ATOM 0 H ASP A 17 -3.910 5.723 12.274 1.00 75.43 H new ATOM 0 HA ASP A 17 -3.675 3.782 11.220 1.00 70.11 H new ATOM 0 HB2 ASP A 17 -1.237 4.266 11.489 1.00 52.23 H new ATOM 0 HB3 ASP A 17 -1.238 3.391 13.007 1.00 52.23 H new ATOM 246 N CYS A 18 -4.110 1.510 12.390 1.00 44.03 N ATOM 247 CA CYS A 18 -4.741 0.381 13.062 1.00 73.15 C ATOM 248 C CYS A 18 -3.808 -0.826 13.093 1.00 30.42 C ATOM 249 O CYS A 18 -4.049 -1.790 13.819 1.00 42.02 O ATOM 250 CB CYS A 18 -6.049 0.010 12.360 1.00 4.22 C ATOM 251 SG CYS A 18 -7.176 -1.003 13.372 1.00 4.32 S ATOM 0 H CYS A 18 -3.881 1.342 11.410 1.00 44.03 H new ATOM 0 HA CYS A 18 -4.957 0.676 14.089 1.00 73.15 H new ATOM 0 HB2 CYS A 18 -6.564 0.925 12.068 1.00 4.22 H new ATOM 0 HB3 CYS A 18 -5.816 -0.531 11.443 1.00 4.22 H new ATOM 257 N ALA A 19 -2.743 -0.763 12.300 1.00 32.15 N ATOM 258 CA ALA A 19 -1.772 -1.849 12.238 1.00 15.24 C ATOM 259 C ALA A 19 -2.399 -3.114 11.661 1.00 53.23 C ATOM 260 O ALA A 19 -1.830 -4.200 11.761 1.00 70.22 O ATOM 261 CB ALA A 19 -1.201 -2.125 13.622 1.00 65.25 C ATOM 0 H ALA A 19 -2.531 0.028 11.692 1.00 32.15 H new ATOM 0 HA ALA A 19 -0.962 -1.542 11.576 1.00 15.24 H new ATOM 0 HB1 ALA A 19 -0.477 -2.938 13.562 1.00 65.25 H new ATOM 0 HB2 ALA A 19 -0.709 -1.228 13.998 1.00 65.25 H new ATOM 0 HB3 ALA A 19 -2.008 -2.407 14.299 1.00 65.25 H new ATOM 267 N GLU A 20 -3.575 -2.964 11.058 1.00 51.21 N ATOM 268 CA GLU A 20 -4.279 -4.095 10.466 1.00 62.11 C ATOM 269 C GLU A 20 -5.558 -3.638 9.771 1.00 30.21 C ATOM 270 O GLU A 20 -6.655 -4.080 10.113 1.00 12.04 O ATOM 271 CB GLU A 20 -4.611 -5.134 11.538 1.00 32.53 C ATOM 272 CG GLU A 20 -5.448 -4.585 12.681 1.00 0.44 C ATOM 273 CD GLU A 20 -4.788 -4.773 14.032 1.00 63.22 C ATOM 274 OE1 GLU A 20 -4.046 -5.764 14.198 1.00 11.35 O ATOM 275 OE2 GLU A 20 -5.012 -3.928 14.925 1.00 24.43 O ATOM 0 H GLU A 20 -4.059 -2.071 10.967 1.00 51.21 H new ATOM 0 HA GLU A 20 -3.625 -4.548 9.721 1.00 62.11 H new ATOM 0 HB2 GLU A 20 -5.144 -5.964 11.074 1.00 32.53 H new ATOM 0 HB3 GLU A 20 -3.682 -5.538 11.941 1.00 32.53 H new ATOM 0 HG2 GLU A 20 -5.630 -3.523 12.515 1.00 0.44 H new ATOM 0 HG3 GLU A 20 -6.420 -5.079 12.684 1.00 0.44 H new ATOM 282 N TRP A 21 -5.408 -2.749 8.796 1.00 41.35 N ATOM 283 CA TRP A 21 -6.551 -2.231 8.053 1.00 44.43 C ATOM 284 C TRP A 21 -7.081 -3.270 7.071 1.00 21.45 C ATOM 285 O TRP A 21 -6.326 -3.819 6.267 1.00 72.14 O ATOM 286 CB TRP A 21 -6.161 -0.955 7.302 1.00 13.23 C ATOM 287 CG TRP A 21 -5.866 0.200 8.210 1.00 1.32 C ATOM 288 CD1 TRP A 21 -4.635 0.699 8.529 1.00 31.40 C ATOM 289 CD2 TRP A 21 -6.820 1.001 8.917 1.00 3.51 C ATOM 290 NE1 TRP A 21 -4.765 1.760 9.391 1.00 75.31 N ATOM 291 CE2 TRP A 21 -6.096 1.967 9.644 1.00 34.25 C ATOM 292 CE3 TRP A 21 -8.214 0.998 9.004 1.00 2.40 C ATOM 293 CZ2 TRP A 21 -6.720 2.916 10.447 1.00 35.31 C ATOM 294 CZ3 TRP A 21 -8.834 1.942 9.803 1.00 72.53 C ATOM 295 CH2 TRP A 21 -8.087 2.891 10.515 1.00 43.11 C ATOM 0 H TRP A 21 -4.507 -2.372 8.502 1.00 41.35 H new ATOM 0 HA TRP A 21 -7.341 -1.999 8.767 1.00 44.43 H new ATOM 0 HB2 TRP A 21 -5.285 -1.157 6.686 1.00 13.23 H new ATOM 0 HB3 TRP A 21 -6.969 -0.679 6.625 1.00 13.23 H new ATOM 0 HD1 TRP A 21 -3.696 0.315 8.157 1.00 31.40 H new ATOM 0 HE1 TRP A 21 -3.996 2.306 9.780 1.00 75.31 H new ATOM 0 HE3 TRP A 21 -8.797 0.272 8.457 1.00 2.40 H new ATOM 0 HZ2 TRP A 21 -6.146 3.647 10.997 1.00 35.31 H new ATOM 0 HZ3 TRP A 21 -9.911 1.948 9.880 1.00 72.53 H new ATOM 0 HH2 TRP A 21 -8.600 3.616 11.129 1.00 43.11 H new ATOM 306 N LEU A 22 -8.379 -3.538 7.144 1.00 2.04 N ATOM 307 CA LEU A 22 -9.010 -4.513 6.260 1.00 63.14 C ATOM 308 C LEU A 22 -9.822 -3.818 5.172 1.00 14.54 C ATOM 309 O LEU A 22 -10.868 -3.230 5.446 1.00 14.43 O ATOM 310 CB LEU A 22 -9.910 -5.452 7.065 1.00 61.25 C ATOM 311 CG LEU A 22 -9.682 -5.470 8.576 1.00 32.44 C ATOM 312 CD1 LEU A 22 -10.804 -6.220 9.277 1.00 4.14 C ATOM 313 CD2 LEU A 22 -8.334 -6.095 8.905 1.00 12.52 C ATOM 0 H LEU A 22 -9.016 -3.094 7.806 1.00 2.04 H new ATOM 0 HA LEU A 22 -8.223 -5.096 5.781 1.00 63.14 H new ATOM 0 HB2 LEU A 22 -10.948 -5.177 6.878 1.00 61.25 H new ATOM 0 HB3 LEU A 22 -9.776 -6.465 6.686 1.00 61.25 H new ATOM 0 HG LEU A 22 -9.681 -4.441 8.935 1.00 32.44 H new ATOM 0 HD11 LEU A 22 -10.624 -6.222 10.352 1.00 4.14 H new ATOM 0 HD12 LEU A 22 -11.755 -5.729 9.069 1.00 4.14 H new ATOM 0 HD13 LEU A 22 -10.838 -7.247 8.913 1.00 4.14 H new ATOM 0 HD21 LEU A 22 -8.189 -6.099 9.985 1.00 12.52 H new ATOM 0 HD22 LEU A 22 -8.307 -7.118 8.531 1.00 12.52 H new ATOM 0 HD23 LEU A 22 -7.540 -5.515 8.435 1.00 12.52 H new ATOM 325 N TYR A 23 -9.334 -3.891 3.940 1.00 42.24 N ATOM 326 CA TYR A 23 -10.015 -3.268 2.810 1.00 40.11 C ATOM 327 C TYR A 23 -10.808 -4.301 2.015 1.00 20.45 C ATOM 328 O TYR A 23 -10.631 -5.506 2.191 1.00 21.44 O ATOM 329 CB TYR A 23 -9.002 -2.574 1.897 1.00 52.33 C ATOM 330 CG TYR A 23 -7.796 -2.036 2.632 1.00 43.02 C ATOM 331 CD1 TYR A 23 -6.708 -2.853 2.915 1.00 74.00 C ATOM 332 CD2 TYR A 23 -7.741 -0.708 3.040 1.00 13.04 C ATOM 333 CE1 TYR A 23 -5.604 -2.365 3.586 1.00 41.30 C ATOM 334 CE2 TYR A 23 -6.641 -0.212 3.711 1.00 53.23 C ATOM 335 CZ TYR A 23 -5.575 -1.044 3.981 1.00 4.20 C ATOM 336 OH TYR A 23 -4.475 -0.554 4.649 1.00 42.32 O ATOM 0 H TYR A 23 -8.470 -4.375 3.697 1.00 42.24 H new ATOM 0 HA TYR A 23 -10.710 -2.525 3.202 1.00 40.11 H new ATOM 0 HB2 TYR A 23 -8.669 -3.279 1.136 1.00 52.33 H new ATOM 0 HB3 TYR A 23 -9.496 -1.753 1.377 1.00 52.33 H new ATOM 0 HD1 TYR A 23 -6.726 -3.887 2.605 1.00 74.00 H new ATOM 0 HD2 TYR A 23 -8.573 -0.053 2.828 1.00 13.04 H new ATOM 0 HE1 TYR A 23 -4.768 -3.014 3.800 1.00 41.30 H new ATOM 0 HE2 TYR A 23 -6.616 0.822 4.023 1.00 53.23 H new ATOM 0 HH TYR A 23 -3.987 0.065 4.066 1.00 42.32 H new ATOM 346 N GLY A 24 -11.684 -3.819 1.139 1.00 45.13 N ATOM 347 CA GLY A 24 -12.492 -4.711 0.329 1.00 35.51 C ATOM 348 C GLY A 24 -12.195 -4.579 -1.152 1.00 21.51 C ATOM 349 O GLY A 24 -11.285 -5.225 -1.669 1.00 2.11 O ATOM 0 H GLY A 24 -11.848 -2.826 0.976 1.00 45.13 H new ATOM 0 HA2 GLY A 24 -12.316 -5.740 0.641 1.00 35.51 H new ATOM 0 HA3 GLY A 24 -13.547 -4.501 0.505 1.00 35.51 H new ATOM 353 N SER A 25 -12.967 -3.741 -1.836 1.00 2.32 N ATOM 354 CA SER A 25 -12.786 -3.530 -3.267 1.00 74.21 C ATOM 355 C SER A 25 -12.310 -2.108 -3.550 1.00 70.20 C ATOM 356 O SER A 25 -12.337 -1.245 -2.673 1.00 12.53 O ATOM 357 CB SER A 25 -14.095 -3.799 -4.012 1.00 75.24 C ATOM 358 OG SER A 25 -14.782 -2.591 -4.291 1.00 20.54 O ATOM 0 H SER A 25 -13.724 -3.197 -1.422 1.00 2.32 H new ATOM 0 HA SER A 25 -12.025 -4.226 -3.619 1.00 74.21 H new ATOM 0 HB2 SER A 25 -13.885 -4.325 -4.943 1.00 75.24 H new ATOM 0 HB3 SER A 25 -14.730 -4.452 -3.413 1.00 75.24 H new ATOM 0 HG SER A 25 -15.614 -2.791 -4.769 1.00 20.54 H new ATOM 364 N CYS A 26 -11.874 -1.872 -4.783 1.00 31.41 N ATOM 365 CA CYS A 26 -11.389 -0.558 -5.186 1.00 11.35 C ATOM 366 C CYS A 26 -12.440 0.180 -6.008 1.00 63.45 C ATOM 367 O CYS A 26 -12.939 -0.340 -7.007 1.00 52.33 O ATOM 368 CB CYS A 26 -10.096 -0.691 -5.990 1.00 75.33 C ATOM 369 SG CYS A 26 -8.669 -1.270 -5.016 1.00 32.35 S ATOM 0 H CYS A 26 -11.847 -2.575 -5.521 1.00 31.41 H new ATOM 0 HA CYS A 26 -11.188 0.019 -4.284 1.00 11.35 H new ATOM 0 HB2 CYS A 26 -10.264 -1.383 -6.815 1.00 75.33 H new ATOM 0 HB3 CYS A 26 -9.853 0.276 -6.430 1.00 75.33 H new ATOM 375 N VAL A 27 -12.773 1.395 -5.583 1.00 61.31 N ATOM 376 CA VAL A 27 -13.763 2.206 -6.281 1.00 71.23 C ATOM 377 C VAL A 27 -13.094 3.252 -7.165 1.00 14.11 C ATOM 378 O VAL A 27 -12.216 3.988 -6.715 1.00 54.44 O ATOM 379 CB VAL A 27 -14.708 2.913 -5.292 1.00 13.10 C ATOM 380 CG1 VAL A 27 -15.850 3.589 -6.035 1.00 0.44 C ATOM 381 CG2 VAL A 27 -15.240 1.926 -4.264 1.00 31.31 C ATOM 0 H VAL A 27 -12.371 1.839 -4.758 1.00 61.31 H new ATOM 0 HA VAL A 27 -14.344 1.527 -6.905 1.00 71.23 H new ATOM 0 HB VAL A 27 -14.144 3.682 -4.765 1.00 13.10 H new ATOM 0 HG11 VAL A 27 -16.507 4.083 -5.320 1.00 0.44 H new ATOM 0 HG12 VAL A 27 -15.447 4.328 -6.728 1.00 0.44 H new ATOM 0 HG13 VAL A 27 -16.416 2.841 -6.591 1.00 0.44 H new ATOM 0 HG21 VAL A 27 -15.906 2.443 -3.573 1.00 31.31 H new ATOM 0 HG22 VAL A 27 -15.789 1.133 -4.771 1.00 31.31 H new ATOM 0 HG23 VAL A 27 -14.407 1.494 -3.709 1.00 31.31 H new ATOM 391 N ALA A 28 -13.515 3.311 -8.424 1.00 22.42 N ATOM 392 CA ALA A 28 -12.958 4.270 -9.370 1.00 62.44 C ATOM 393 C ALA A 28 -13.327 5.699 -8.988 1.00 14.05 C ATOM 394 O ALA A 28 -14.359 5.935 -8.361 1.00 40.24 O ATOM 395 CB ALA A 28 -13.436 3.958 -10.781 1.00 2.42 C ATOM 0 H ALA A 28 -14.239 2.707 -8.812 1.00 22.42 H new ATOM 0 HA ALA A 28 -11.872 4.184 -9.338 1.00 62.44 H new ATOM 0 HB1 ALA A 28 -13.012 4.682 -11.477 1.00 2.42 H new ATOM 0 HB2 ALA A 28 -13.114 2.955 -11.061 1.00 2.42 H new ATOM 0 HB3 ALA A 28 -14.524 4.014 -10.817 1.00 2.42 H new ATOM 401 N ASN A 29 -12.478 6.648 -9.368 1.00 71.45 N ATOM 402 CA ASN A 29 -12.717 8.054 -9.064 1.00 13.33 C ATOM 403 C ASN A 29 -14.127 8.467 -9.472 1.00 2.53 C ATOM 404 O ASN A 29 -14.909 8.939 -8.648 1.00 15.13 O ATOM 405 CB ASN A 29 -11.689 8.933 -9.778 1.00 64.00 C ATOM 406 CG ASN A 29 -12.126 10.383 -9.862 1.00 75.13 C ATOM 407 OD1 ASN A 29 -12.503 10.988 -8.858 1.00 15.03 O ATOM 408 ND2 ASN A 29 -12.079 10.946 -11.063 1.00 44.33 N ATOM 0 H ASN A 29 -11.618 6.469 -9.887 1.00 71.45 H new ATOM 0 HA ASN A 29 -12.616 8.189 -7.987 1.00 13.33 H new ATOM 0 HB2 ASN A 29 -10.736 8.874 -9.252 1.00 64.00 H new ATOM 0 HB3 ASN A 29 -11.522 8.548 -10.784 1.00 64.00 H new ATOM 0 HD21 ASN A 29 -12.362 11.919 -11.182 1.00 44.33 H new ATOM 0 HD22 ASN A 29 -11.760 10.406 -11.867 1.00 44.33 H new ATOM 415 N ASN A 30 -14.445 8.285 -10.750 1.00 3.14 N ATOM 416 CA ASN A 30 -15.762 8.639 -11.268 1.00 64.11 C ATOM 417 C ASN A 30 -16.056 7.889 -12.563 1.00 72.23 C ATOM 418 O ASN A 30 -17.173 7.420 -12.780 1.00 62.24 O ATOM 419 CB ASN A 30 -15.848 10.148 -11.509 1.00 72.21 C ATOM 420 CG ASN A 30 -17.018 10.784 -10.781 1.00 71.43 C ATOM 421 OD1 ASN A 30 -16.941 11.061 -9.584 1.00 14.02 O ATOM 422 ND2 ASN A 30 -18.107 11.017 -11.503 1.00 13.44 N ATOM 0 H ASN A 30 -13.809 7.895 -11.445 1.00 3.14 H new ATOM 0 HA ASN A 30 -16.507 8.352 -10.526 1.00 64.11 H new ATOM 0 HB2 ASN A 30 -14.921 10.619 -11.182 1.00 72.21 H new ATOM 0 HB3 ASN A 30 -15.942 10.338 -12.578 1.00 72.21 H new ATOM 0 HD21 ASN A 30 -18.926 11.443 -11.068 1.00 13.44 H new ATOM 0 HD22 ASN A 30 -18.125 10.771 -12.493 1.00 13.44 H new ATOM 429 N GLY A 31 -15.046 7.778 -13.420 1.00 61.13 N ATOM 430 CA GLY A 31 -15.217 7.083 -14.682 1.00 23.23 C ATOM 431 C GLY A 31 -15.447 5.597 -14.498 1.00 53.14 C ATOM 432 O GLY A 31 -16.125 5.178 -13.560 1.00 13.14 O ATOM 0 H GLY A 31 -14.112 8.157 -13.263 1.00 61.13 H new ATOM 0 HA2 GLY A 31 -16.061 7.514 -15.219 1.00 23.23 H new ATOM 0 HA3 GLY A 31 -14.333 7.237 -15.301 1.00 23.23 H new ATOM 436 N ASP A 32 -14.884 4.797 -15.397 1.00 75.42 N ATOM 437 CA ASP A 32 -15.032 3.347 -15.332 1.00 15.42 C ATOM 438 C ASP A 32 -13.794 2.702 -14.717 1.00 53.33 C ATOM 439 O ASP A 32 -13.897 1.878 -13.807 1.00 41.10 O ATOM 440 CB ASP A 32 -15.283 2.774 -16.727 1.00 24.02 C ATOM 441 CG ASP A 32 -15.007 1.285 -16.799 1.00 63.25 C ATOM 442 OD1 ASP A 32 -15.327 0.575 -15.823 1.00 13.31 O ATOM 443 OD2 ASP A 32 -14.471 0.830 -17.832 1.00 13.20 O ATOM 0 H ASP A 32 -14.320 5.128 -16.180 1.00 75.42 H new ATOM 0 HA ASP A 32 -15.890 3.122 -14.698 1.00 15.42 H new ATOM 0 HB2 ASP A 32 -16.317 2.963 -17.014 1.00 24.02 H new ATOM 0 HB3 ASP A 32 -14.652 3.293 -17.449 1.00 24.02 H new ATOM 448 N CYS A 33 -12.624 3.080 -15.222 1.00 2.43 N ATOM 449 CA CYS A 33 -11.366 2.539 -14.724 1.00 1.20 C ATOM 450 C CYS A 33 -10.294 3.624 -14.659 1.00 30.02 C ATOM 451 O CYS A 33 -10.303 4.567 -15.448 1.00 61.32 O ATOM 452 CB CYS A 33 -10.892 1.391 -15.618 1.00 73.32 C ATOM 453 SG CYS A 33 -11.130 1.689 -17.399 1.00 73.24 S ATOM 0 H CYS A 33 -12.522 3.759 -15.976 1.00 2.43 H new ATOM 0 HA CYS A 33 -11.536 2.160 -13.716 1.00 1.20 H new ATOM 0 HB2 CYS A 33 -9.834 1.211 -15.429 1.00 73.32 H new ATOM 0 HB3 CYS A 33 -11.425 0.483 -15.338 1.00 73.32 H new ATOM 459 N GLY A 34 -9.371 3.480 -13.713 1.00 72.22 N ATOM 460 CA GLY A 34 -8.307 4.454 -13.562 1.00 5.52 C ATOM 461 C GLY A 34 -8.121 4.895 -12.124 1.00 15.35 C ATOM 462 O GLY A 34 -8.678 4.289 -11.207 1.00 43.01 O ATOM 0 H GLY A 34 -9.342 2.706 -13.049 1.00 72.22 H new ATOM 0 HA2 GLY A 34 -7.374 4.028 -13.931 1.00 5.52 H new ATOM 0 HA3 GLY A 34 -8.526 5.325 -14.180 1.00 5.52 H new ATOM 466 N GLN A 35 -7.339 5.949 -11.924 1.00 61.23 N ATOM 467 CA GLN A 35 -7.082 6.467 -10.585 1.00 45.33 C ATOM 468 C GLN A 35 -8.387 6.718 -9.839 1.00 74.30 C ATOM 469 O GLN A 35 -9.217 7.518 -10.268 1.00 55.44 O ATOM 470 CB GLN A 35 -6.270 7.762 -10.664 1.00 64.13 C ATOM 471 CG GLN A 35 -6.824 8.767 -11.661 1.00 52.53 C ATOM 472 CD GLN A 35 -5.946 8.919 -12.887 1.00 43.04 C ATOM 473 OE1 GLN A 35 -4.719 8.954 -12.786 1.00 3.32 O ATOM 474 NE2 GLN A 35 -6.570 9.009 -14.056 1.00 43.04 N ATOM 0 H GLN A 35 -6.872 6.462 -12.672 1.00 61.23 H new ATOM 0 HA GLN A 35 -6.509 5.719 -10.037 1.00 45.33 H new ATOM 0 HB2 GLN A 35 -6.238 8.222 -9.676 1.00 64.13 H new ATOM 0 HB3 GLN A 35 -5.243 7.521 -10.936 1.00 64.13 H new ATOM 0 HG2 GLN A 35 -7.821 8.454 -11.970 1.00 52.53 H new ATOM 0 HG3 GLN A 35 -6.931 9.736 -11.173 1.00 52.53 H new ATOM 0 HE21 GLN A 35 -7.589 8.976 -14.094 1.00 43.04 H new ATOM 0 HE22 GLN A 35 -6.030 9.112 -14.916 1.00 43.04 H new ATOM 483 N GLY A 36 -8.563 6.026 -8.716 1.00 2.31 N ATOM 484 CA GLY A 36 -9.771 6.187 -7.928 1.00 11.02 C ATOM 485 C GLY A 36 -9.484 6.292 -6.442 1.00 62.42 C ATOM 486 O GLY A 36 -8.492 6.897 -6.037 1.00 71.23 O ATOM 0 H GLY A 36 -7.891 5.358 -8.339 1.00 2.31 H new ATOM 0 HA2 GLY A 36 -10.299 7.082 -8.257 1.00 11.02 H new ATOM 0 HA3 GLY A 36 -10.434 5.341 -8.108 1.00 11.02 H new ATOM 490 N MET A 37 -10.354 5.702 -5.631 1.00 24.43 N ATOM 491 CA MET A 37 -10.188 5.733 -4.181 1.00 61.22 C ATOM 492 C MET A 37 -10.520 4.375 -3.568 1.00 43.53 C ATOM 493 O MET A 37 -11.135 3.526 -4.213 1.00 20.12 O ATOM 494 CB MET A 37 -11.078 6.814 -3.568 1.00 14.41 C ATOM 495 CG MET A 37 -10.458 7.502 -2.363 1.00 4.12 C ATOM 496 SD MET A 37 -8.990 8.459 -2.790 1.00 53.41 S ATOM 497 CE MET A 37 -9.624 10.130 -2.648 1.00 32.33 C ATOM 0 H MET A 37 -11.180 5.197 -5.951 1.00 24.43 H new ATOM 0 HA MET A 37 -9.146 5.965 -3.963 1.00 61.22 H new ATOM 0 HB2 MET A 37 -11.302 7.563 -4.328 1.00 14.41 H new ATOM 0 HB3 MET A 37 -12.027 6.367 -3.272 1.00 14.41 H new ATOM 0 HG2 MET A 37 -11.196 8.161 -1.906 1.00 4.12 H new ATOM 0 HG3 MET A 37 -10.194 6.752 -1.617 1.00 4.12 H new ATOM 0 HE1 MET A 37 -9.130 10.770 -3.379 1.00 32.33 H new ATOM 0 HE2 MET A 37 -10.698 10.129 -2.834 1.00 32.33 H new ATOM 0 HE3 MET A 37 -9.430 10.509 -1.645 1.00 32.33 H new ATOM 507 N ARG A 38 -10.108 4.180 -2.319 1.00 14.12 N ATOM 508 CA ARG A 38 -10.361 2.925 -1.620 1.00 41.33 C ATOM 509 C ARG A 38 -10.803 3.185 -0.183 1.00 15.45 C ATOM 510 O ARG A 38 -10.385 4.160 0.439 1.00 51.40 O ATOM 511 CB ARG A 38 -9.105 2.051 -1.629 1.00 15.41 C ATOM 512 CG ARG A 38 -9.365 0.619 -2.067 1.00 3.44 C ATOM 513 CD ARG A 38 -9.483 -0.316 -0.873 1.00 41.53 C ATOM 514 NE ARG A 38 -8.177 -0.767 -0.399 1.00 5.42 N ATOM 515 CZ ARG A 38 -7.498 -1.764 -0.954 1.00 44.31 C ATOM 516 NH1 ARG A 38 -7.997 -2.412 -1.997 1.00 74.21 N ATOM 517 NH2 ARG A 38 -6.315 -2.115 -0.465 1.00 63.45 N ATOM 0 H ARG A 38 -9.599 4.873 -1.771 1.00 14.12 H new ATOM 0 HA ARG A 38 -11.163 2.402 -2.140 1.00 41.33 H new ATOM 0 HB2 ARG A 38 -8.366 2.498 -2.295 1.00 15.41 H new ATOM 0 HB3 ARG A 38 -8.670 2.043 -0.629 1.00 15.41 H new ATOM 0 HG2 ARG A 38 -10.282 0.578 -2.655 1.00 3.44 H new ATOM 0 HG3 ARG A 38 -8.556 0.283 -2.715 1.00 3.44 H new ATOM 0 HD2 ARG A 38 -10.006 0.194 -0.064 1.00 41.53 H new ATOM 0 HD3 ARG A 38 -10.087 -1.181 -1.148 1.00 41.53 H new ATOM 0 HE ARG A 38 -7.764 -0.290 0.402 1.00 5.42 H new ATOM 0 HH11 ARG A 38 -8.906 -2.145 -2.376 1.00 74.21 H new ATOM 0 HH12 ARG A 38 -7.472 -3.177 -2.421 1.00 74.21 H new ATOM 0 HH21 ARG A 38 -5.927 -1.619 0.337 1.00 63.45 H new ATOM 0 HH22 ARG A 38 -5.794 -2.881 -0.892 1.00 63.45 H new ATOM 531 N GLU A 39 -11.652 2.303 0.338 1.00 23.04 N ATOM 532 CA GLU A 39 -12.151 2.438 1.701 1.00 71.32 C ATOM 533 C GLU A 39 -11.763 1.227 2.544 1.00 3.24 C ATOM 534 O GLU A 39 -12.185 0.105 2.272 1.00 23.23 O ATOM 535 CB GLU A 39 -13.673 2.602 1.697 1.00 44.15 C ATOM 536 CG GLU A 39 -14.139 3.960 2.192 1.00 15.44 C ATOM 537 CD GLU A 39 -14.969 4.705 1.165 1.00 22.52 C ATOM 538 OE1 GLU A 39 -14.414 5.069 0.107 1.00 52.51 O ATOM 539 OE2 GLU A 39 -16.172 4.922 1.418 1.00 51.14 O ATOM 0 H GLU A 39 -12.008 1.489 -0.163 1.00 23.04 H new ATOM 0 HA GLU A 39 -11.698 3.327 2.140 1.00 71.32 H new ATOM 0 HB2 GLU A 39 -14.044 2.447 0.684 1.00 44.15 H new ATOM 0 HB3 GLU A 39 -14.115 1.826 2.321 1.00 44.15 H new ATOM 0 HG2 GLU A 39 -14.726 3.829 3.101 1.00 15.44 H new ATOM 0 HG3 GLU A 39 -13.271 4.563 2.457 1.00 15.44 H new ATOM 546 N GLY A 40 -10.953 1.465 3.573 1.00 12.12 N ATOM 547 CA GLY A 40 -10.519 0.387 4.440 1.00 14.15 C ATOM 548 C GLY A 40 -11.198 0.425 5.795 1.00 31.33 C ATOM 549 O GLY A 40 -11.363 1.492 6.387 1.00 1.05 O ATOM 0 H GLY A 40 -10.591 2.386 3.820 1.00 12.12 H new ATOM 0 HA2 GLY A 40 -10.728 -0.569 3.959 1.00 14.15 H new ATOM 0 HA3 GLY A 40 -9.439 0.446 4.576 1.00 14.15 H new ATOM 553 N THR A 41 -11.594 -0.744 6.291 1.00 70.23 N ATOM 554 CA THR A 41 -12.261 -0.841 7.583 1.00 31.12 C ATOM 555 C THR A 41 -11.488 -1.747 8.534 1.00 40.53 C ATOM 556 O THR A 41 -11.122 -2.868 8.180 1.00 12.10 O ATOM 557 CB THR A 41 -13.698 -1.375 7.434 1.00 22.34 C ATOM 558 OG1 THR A 41 -14.263 -1.626 8.727 1.00 62.32 O ATOM 559 CG2 THR A 41 -13.717 -2.654 6.612 1.00 71.44 C ATOM 0 H THR A 41 -11.464 -1.637 5.816 1.00 70.23 H new ATOM 0 HA THR A 41 -12.298 0.167 7.997 1.00 31.12 H new ATOM 0 HB THR A 41 -14.291 -0.620 6.917 1.00 22.34 H new ATOM 0 HG1 THR A 41 -14.002 -0.910 9.343 1.00 62.32 H new ATOM 0 HG21 THR A 41 -14.742 -3.012 6.520 1.00 71.44 H new ATOM 0 HG22 THR A 41 -13.312 -2.455 5.620 1.00 71.44 H new ATOM 0 HG23 THR A 41 -13.110 -3.413 7.106 1.00 71.44 H new ATOM 567 N CYS A 42 -11.244 -1.256 9.745 1.00 43.23 N ATOM 568 CA CYS A 42 -10.515 -2.021 10.748 1.00 22.32 C ATOM 569 C CYS A 42 -11.311 -2.112 12.047 1.00 41.23 C ATOM 570 O CYS A 42 -11.490 -1.117 12.747 1.00 41.53 O ATOM 571 CB CYS A 42 -9.151 -1.382 11.017 1.00 62.45 C ATOM 572 SG CYS A 42 -8.114 -2.308 12.194 1.00 51.32 S ATOM 0 H CYS A 42 -11.541 -0.331 10.055 1.00 43.23 H new ATOM 0 HA CYS A 42 -10.366 -3.029 10.362 1.00 22.32 H new ATOM 0 HB2 CYS A 42 -8.614 -1.287 10.073 1.00 62.45 H new ATOM 0 HB3 CYS A 42 -9.304 -0.373 11.400 1.00 62.45 H new ATOM 578 N ASN A 43 -11.784 -3.313 12.362 1.00 62.34 N ATOM 579 CA ASN A 43 -12.561 -3.535 13.575 1.00 44.51 C ATOM 580 C ASN A 43 -13.872 -2.757 13.532 1.00 54.35 C ATOM 581 O ASN A 43 -14.918 -3.302 13.178 1.00 24.13 O ATOM 582 CB ASN A 43 -11.751 -3.121 14.806 1.00 61.24 C ATOM 583 CG ASN A 43 -11.125 -4.308 15.512 1.00 64.40 C ATOM 584 OD1 ASN A 43 -11.751 -5.357 15.662 1.00 75.22 O ATOM 585 ND2 ASN A 43 -9.881 -4.148 15.948 1.00 22.34 N ATOM 0 H ASN A 43 -11.643 -4.148 11.793 1.00 62.34 H new ATOM 0 HA ASN A 43 -12.792 -4.598 13.639 1.00 44.51 H new ATOM 0 HB2 ASN A 43 -10.967 -2.426 14.505 1.00 61.24 H new ATOM 0 HB3 ASN A 43 -12.399 -2.588 15.502 1.00 61.24 H new ATOM 0 HD21 ASN A 43 -9.407 -4.912 16.429 1.00 22.34 H new ATOM 0 HD22 ASN A 43 -9.400 -3.261 15.802 1.00 22.34 H new ATOM 592 N GLU A 44 -13.810 -1.478 13.893 1.00 32.53 N ATOM 593 CA GLU A 44 -14.993 -0.627 13.894 1.00 31.55 C ATOM 594 C GLU A 44 -14.645 0.787 13.437 1.00 34.11 C ATOM 595 O GLU A 44 -15.280 1.757 13.850 1.00 21.11 O ATOM 596 CB GLU A 44 -15.616 -0.584 15.292 1.00 65.33 C ATOM 597 CG GLU A 44 -15.677 -1.940 15.973 1.00 72.43 C ATOM 598 CD GLU A 44 -16.846 -2.060 16.931 1.00 14.03 C ATOM 599 OE1 GLU A 44 -16.896 -1.284 17.908 1.00 73.34 O ATOM 600 OE2 GLU A 44 -17.713 -2.930 16.702 1.00 35.10 O ATOM 0 H GLU A 44 -12.953 -1.010 14.188 1.00 32.53 H new ATOM 0 HA GLU A 44 -15.715 -1.050 13.195 1.00 31.55 H new ATOM 0 HB2 GLU A 44 -15.041 0.101 15.916 1.00 65.33 H new ATOM 0 HB3 GLU A 44 -16.625 -0.178 15.219 1.00 65.33 H new ATOM 0 HG2 GLU A 44 -15.752 -2.720 15.215 1.00 72.43 H new ATOM 0 HG3 GLU A 44 -14.748 -2.112 16.516 1.00 72.43 H new ATOM 607 N GLN A 45 -13.634 0.894 12.582 1.00 72.41 N ATOM 608 CA GLN A 45 -13.201 2.189 12.069 1.00 52.13 C ATOM 609 C GLN A 45 -13.009 2.138 10.556 1.00 41.32 C ATOM 610 O GLN A 45 -12.952 1.062 9.962 1.00 32.42 O ATOM 611 CB GLN A 45 -11.899 2.620 12.746 1.00 52.03 C ATOM 612 CG GLN A 45 -11.906 2.429 14.254 1.00 2.52 C ATOM 613 CD GLN A 45 -10.561 2.725 14.885 1.00 23.04 C ATOM 614 OE1 GLN A 45 -9.631 1.922 14.797 1.00 25.42 O ATOM 615 NE2 GLN A 45 -10.448 3.881 15.529 1.00 41.12 N ATOM 0 H GLN A 45 -13.099 0.100 12.230 1.00 72.41 H new ATOM 0 HA GLN A 45 -13.978 2.919 12.294 1.00 52.13 H new ATOM 0 HB2 GLN A 45 -11.072 2.052 12.320 1.00 52.03 H new ATOM 0 HB3 GLN A 45 -11.713 3.670 12.522 1.00 52.03 H new ATOM 0 HG2 GLN A 45 -12.661 3.079 14.695 1.00 2.52 H new ATOM 0 HG3 GLN A 45 -12.194 1.403 14.485 1.00 2.52 H new ATOM 0 HE21 GLN A 45 -11.244 4.517 15.578 1.00 41.12 H new ATOM 0 HE22 GLN A 45 -9.566 4.132 15.975 1.00 41.12 H new ATOM 624 N THR A 46 -12.911 3.312 9.939 1.00 54.23 N ATOM 625 CA THR A 46 -12.727 3.402 8.495 1.00 11.14 C ATOM 626 C THR A 46 -11.646 4.416 8.141 1.00 61.12 C ATOM 627 O THR A 46 -11.587 5.501 8.721 1.00 45.22 O ATOM 628 CB THR A 46 -14.036 3.795 7.786 1.00 43.10 C ATOM 629 OG1 THR A 46 -13.744 4.448 6.545 1.00 21.22 O ATOM 630 CG2 THR A 46 -14.873 4.714 8.663 1.00 72.12 C ATOM 0 H THR A 46 -12.956 4.213 10.416 1.00 54.23 H new ATOM 0 HA THR A 46 -12.420 2.414 8.153 1.00 11.14 H new ATOM 0 HB THR A 46 -14.605 2.886 7.593 1.00 43.10 H new ATOM 0 HG1 THR A 46 -14.582 4.693 6.099 1.00 21.22 H new ATOM 0 HG21 THR A 46 -15.792 4.978 8.140 1.00 72.12 H new ATOM 0 HG22 THR A 46 -15.119 4.204 9.594 1.00 72.12 H new ATOM 0 HG23 THR A 46 -14.308 5.620 8.884 1.00 72.12 H new ATOM 638 N ARG A 47 -10.794 4.058 7.187 1.00 73.31 N ATOM 639 CA ARG A 47 -9.715 4.938 6.756 1.00 20.40 C ATOM 640 C ARG A 47 -9.746 5.137 5.243 1.00 32.14 C ATOM 641 O ARG A 47 -10.473 4.445 4.530 1.00 32.32 O ATOM 642 CB ARG A 47 -8.361 4.363 7.178 1.00 42.31 C ATOM 643 CG ARG A 47 -7.840 3.283 6.245 1.00 13.24 C ATOM 644 CD ARG A 47 -6.778 3.824 5.302 1.00 2.14 C ATOM 645 NE ARG A 47 -5.585 2.980 5.278 1.00 71.22 N ATOM 646 CZ ARG A 47 -4.611 3.061 6.177 1.00 14.13 C ATOM 647 NH1 ARG A 47 -4.686 3.940 7.165 1.00 33.31 N ATOM 648 NH2 ARG A 47 -3.557 2.258 6.088 1.00 73.40 N ATOM 0 H ARG A 47 -10.830 3.164 6.697 1.00 73.31 H new ATOM 0 HA ARG A 47 -9.857 5.907 7.235 1.00 20.40 H new ATOM 0 HB2 ARG A 47 -7.632 5.172 7.227 1.00 42.31 H new ATOM 0 HB3 ARG A 47 -8.448 3.951 8.184 1.00 42.31 H new ATOM 0 HG2 ARG A 47 -7.424 2.464 6.832 1.00 13.24 H new ATOM 0 HG3 ARG A 47 -8.667 2.872 5.666 1.00 13.24 H new ATOM 0 HD2 ARG A 47 -7.190 3.897 4.296 1.00 2.14 H new ATOM 0 HD3 ARG A 47 -6.502 4.833 5.608 1.00 2.14 H new ATOM 0 HE ARG A 47 -5.496 2.292 4.531 1.00 71.22 H new ATOM 0 HH11 ARG A 47 -5.494 4.558 7.237 1.00 33.31 H new ATOM 0 HH12 ARG A 47 -3.936 3.999 7.853 1.00 33.31 H new ATOM 0 HH21 ARG A 47 -3.496 1.579 5.329 1.00 73.40 H new ATOM 0 HH22 ARG A 47 -2.809 2.320 6.778 1.00 73.40 H new ATOM 662 N LYS A 48 -8.952 6.085 4.760 1.00 30.45 N ATOM 663 CA LYS A 48 -8.886 6.376 3.332 1.00 24.13 C ATOM 664 C LYS A 48 -7.600 5.826 2.723 1.00 22.05 C ATOM 665 O LYS A 48 -6.529 5.915 3.325 1.00 1.24 O ATOM 666 CB LYS A 48 -8.972 7.884 3.092 1.00 5.42 C ATOM 667 CG LYS A 48 -10.384 8.381 2.840 1.00 55.51 C ATOM 668 CD LYS A 48 -10.854 8.036 1.437 1.00 11.22 C ATOM 669 CE LYS A 48 -10.774 9.240 0.510 1.00 50.52 C ATOM 670 NZ LYS A 48 -12.100 9.575 -0.078 1.00 41.32 N ATOM 0 H LYS A 48 -8.344 6.666 5.337 1.00 30.45 H new ATOM 0 HA LYS A 48 -9.733 5.889 2.849 1.00 24.13 H new ATOM 0 HB2 LYS A 48 -8.562 8.405 3.957 1.00 5.42 H new ATOM 0 HB3 LYS A 48 -8.347 8.143 2.238 1.00 5.42 H new ATOM 0 HG2 LYS A 48 -11.062 7.940 3.571 1.00 55.51 H new ATOM 0 HG3 LYS A 48 -10.421 9.461 2.982 1.00 55.51 H new ATOM 0 HD2 LYS A 48 -10.244 7.226 1.037 1.00 11.22 H new ATOM 0 HD3 LYS A 48 -11.881 7.673 1.475 1.00 11.22 H new ATOM 0 HE2 LYS A 48 -10.394 10.099 1.063 1.00 50.52 H new ATOM 0 HE3 LYS A 48 -10.063 9.036 -0.290 1.00 50.52 H new ATOM 0 HZ1 LYS A 48 -11.967 10.194 -0.903 1.00 41.32 H new ATOM 0 HZ2 LYS A 48 -12.579 8.701 -0.374 1.00 41.32 H new ATOM 0 HZ3 LYS A 48 -12.681 10.065 0.632 1.00 41.32 H new ATOM 684 N VAL A 49 -7.712 5.258 1.527 1.00 51.52 N ATOM 685 CA VAL A 49 -6.558 4.696 0.836 1.00 44.35 C ATOM 686 C VAL A 49 -6.674 4.887 -0.672 1.00 21.55 C ATOM 687 O VAL A 49 -7.766 4.820 -1.236 1.00 52.13 O ATOM 688 CB VAL A 49 -6.396 3.196 1.142 1.00 71.33 C ATOM 689 CG1 VAL A 49 -5.260 2.971 2.128 1.00 34.10 C ATOM 690 CG2 VAL A 49 -7.699 2.618 1.674 1.00 40.31 C ATOM 0 H VAL A 49 -8.591 5.175 1.016 1.00 51.52 H new ATOM 0 HA VAL A 49 -5.680 5.230 1.200 1.00 44.35 H new ATOM 0 HB VAL A 49 -6.147 2.678 0.216 1.00 71.33 H new ATOM 0 HG11 VAL A 49 -5.161 1.905 2.332 1.00 34.10 H new ATOM 0 HG12 VAL A 49 -4.329 3.347 1.703 1.00 34.10 H new ATOM 0 HG13 VAL A 49 -5.474 3.500 3.057 1.00 34.10 H new ATOM 0 HG21 VAL A 49 -7.567 1.557 1.885 1.00 40.31 H new ATOM 0 HG22 VAL A 49 -7.981 3.138 2.590 1.00 40.31 H new ATOM 0 HG23 VAL A 49 -8.484 2.745 0.929 1.00 40.31 H new ATOM 700 N LYS A 50 -5.539 5.125 -1.321 1.00 72.41 N ATOM 701 CA LYS A 50 -5.511 5.324 -2.766 1.00 24.25 C ATOM 702 C LYS A 50 -5.347 3.995 -3.495 1.00 73.24 C ATOM 703 O LYS A 50 -4.424 3.231 -3.214 1.00 21.02 O ATOM 704 CB LYS A 50 -4.372 6.272 -3.149 1.00 5.10 C ATOM 705 CG LYS A 50 -4.226 7.459 -2.211 1.00 75.41 C ATOM 706 CD LYS A 50 -5.492 8.296 -2.170 1.00 14.03 C ATOM 707 CE LYS A 50 -5.317 9.608 -2.920 1.00 33.24 C ATOM 708 NZ LYS A 50 -5.251 10.772 -1.993 1.00 60.14 N ATOM 0 H LYS A 50 -4.626 5.185 -0.869 1.00 72.41 H new ATOM 0 HA LYS A 50 -6.461 5.767 -3.065 1.00 24.25 H new ATOM 0 HB2 LYS A 50 -3.436 5.714 -3.164 1.00 5.10 H new ATOM 0 HB3 LYS A 50 -4.541 6.638 -4.162 1.00 5.10 H new ATOM 0 HG2 LYS A 50 -3.991 7.104 -1.208 1.00 75.41 H new ATOM 0 HG3 LYS A 50 -3.389 8.079 -2.534 1.00 75.41 H new ATOM 0 HD2 LYS A 50 -6.316 7.733 -2.607 1.00 14.03 H new ATOM 0 HD3 LYS A 50 -5.761 8.501 -1.134 1.00 14.03 H new ATOM 0 HE2 LYS A 50 -4.406 9.567 -3.517 1.00 33.24 H new ATOM 0 HE3 LYS A 50 -6.146 9.743 -3.614 1.00 33.24 H new ATOM 0 HZ1 LYS A 50 -5.132 11.647 -2.542 1.00 60.14 H new ATOM 0 HZ2 LYS A 50 -6.131 10.827 -1.441 1.00 60.14 H new ATOM 0 HZ3 LYS A 50 -4.444 10.656 -1.347 1.00 60.14 H new ATOM 722 N CYS A 51 -6.248 3.725 -4.435 1.00 11.55 N ATOM 723 CA CYS A 51 -6.204 2.489 -5.206 1.00 24.22 C ATOM 724 C CYS A 51 -6.394 2.769 -6.694 1.00 64.32 C ATOM 725 O CYS A 51 -6.957 3.796 -7.076 1.00 5.24 O ATOM 726 CB CYS A 51 -7.280 1.519 -4.716 1.00 51.52 C ATOM 727 SG CYS A 51 -7.063 -0.192 -5.304 1.00 70.12 S ATOM 0 H CYS A 51 -7.018 4.347 -4.681 1.00 11.55 H new ATOM 0 HA CYS A 51 -5.223 2.035 -5.062 1.00 24.22 H new ATOM 0 HB2 CYS A 51 -7.285 1.519 -3.626 1.00 51.52 H new ATOM 0 HB3 CYS A 51 -8.256 1.882 -5.039 1.00 51.52 H new ATOM 733 N ARG A 52 -5.922 1.848 -7.528 1.00 60.31 N ATOM 734 CA ARG A 52 -6.039 1.997 -8.974 1.00 33.32 C ATOM 735 C ARG A 52 -6.928 0.903 -9.561 1.00 65.15 C ATOM 736 O ARG A 52 -6.719 -0.283 -9.308 1.00 73.25 O ATOM 737 CB ARG A 52 -4.656 1.951 -9.626 1.00 13.43 C ATOM 738 CG ARG A 52 -4.107 3.322 -9.984 1.00 65.41 C ATOM 739 CD ARG A 52 -4.110 4.255 -8.784 1.00 31.24 C ATOM 740 NE ARG A 52 -2.802 4.864 -8.558 1.00 72.24 N ATOM 741 CZ ARG A 52 -2.287 5.807 -9.338 1.00 50.14 C ATOM 742 NH1 ARG A 52 -2.966 6.247 -10.388 1.00 14.23 N ATOM 743 NH2 ARG A 52 -1.090 6.312 -9.068 1.00 73.50 N ATOM 0 H ARG A 52 -5.456 0.992 -7.228 1.00 60.31 H new ATOM 0 HA ARG A 52 -6.497 2.964 -9.180 1.00 33.32 H new ATOM 0 HB2 ARG A 52 -3.960 1.456 -8.949 1.00 13.43 H new ATOM 0 HB3 ARG A 52 -4.709 1.343 -10.529 1.00 13.43 H new ATOM 0 HG2 ARG A 52 -3.091 3.220 -10.364 1.00 65.41 H new ATOM 0 HG3 ARG A 52 -4.705 3.756 -10.785 1.00 65.41 H new ATOM 0 HD2 ARG A 52 -4.853 5.038 -8.936 1.00 31.24 H new ATOM 0 HD3 ARG A 52 -4.410 3.700 -7.895 1.00 31.24 H new ATOM 0 HE ARG A 52 -2.254 4.548 -7.758 1.00 72.24 H new ATOM 0 HH11 ARG A 52 -3.886 5.861 -10.598 1.00 14.23 H new ATOM 0 HH12 ARG A 52 -2.568 6.972 -10.986 1.00 14.23 H new ATOM 0 HH21 ARG A 52 -0.565 5.976 -8.261 1.00 73.50 H new ATOM 0 HH22 ARG A 52 -0.695 7.036 -9.668 1.00 73.50 H new ATOM 757 N VAL A 53 -7.919 1.312 -10.348 1.00 22.33 N ATOM 758 CA VAL A 53 -8.837 0.368 -10.973 1.00 14.50 C ATOM 759 C VAL A 53 -8.685 0.373 -12.489 1.00 22.02 C ATOM 760 O VAL A 53 -9.552 0.847 -13.223 1.00 64.23 O ATOM 761 CB VAL A 53 -10.301 0.688 -10.613 1.00 45.33 C ATOM 762 CG1 VAL A 53 -11.190 -0.517 -10.871 1.00 14.11 C ATOM 763 CG2 VAL A 53 -10.407 1.139 -9.165 1.00 54.43 C ATOM 0 H VAL A 53 -8.106 2.290 -10.567 1.00 22.33 H new ATOM 0 HA VAL A 53 -8.583 -0.620 -10.590 1.00 14.50 H new ATOM 0 HB VAL A 53 -10.643 1.504 -11.249 1.00 45.33 H new ATOM 0 HG11 VAL A 53 -12.220 -0.272 -10.611 1.00 14.11 H new ATOM 0 HG12 VAL A 53 -11.137 -0.789 -11.925 1.00 14.11 H new ATOM 0 HG13 VAL A 53 -10.852 -1.356 -10.262 1.00 14.11 H new ATOM 0 HG21 VAL A 53 -11.448 1.361 -8.928 1.00 54.43 H new ATOM 0 HG22 VAL A 53 -10.047 0.346 -8.510 1.00 54.43 H new ATOM 0 HG23 VAL A 53 -9.803 2.034 -9.018 1.00 54.43 H new ATOM 773 N PRO A 54 -7.555 -0.165 -12.972 1.00 24.42 N ATOM 774 CA PRO A 54 -7.262 -0.236 -14.407 1.00 11.45 C ATOM 775 C PRO A 54 -8.162 -1.228 -15.134 1.00 54.42 C ATOM 776 O PRO A 54 -8.632 -2.203 -14.547 1.00 22.02 O ATOM 777 CB PRO A 54 -5.805 -0.704 -14.448 1.00 72.45 C ATOM 778 CG PRO A 54 -5.608 -1.439 -13.168 1.00 0.44 C ATOM 779 CD PRO A 54 -6.478 -0.747 -12.154 1.00 65.32 C ATOM 0 HA PRO A 54 -7.432 0.718 -14.906 1.00 11.45 H new ATOM 0 HB2 PRO A 54 -5.620 -1.349 -15.307 1.00 72.45 H new ATOM 0 HB3 PRO A 54 -5.120 0.140 -14.529 1.00 72.45 H new ATOM 0 HG2 PRO A 54 -5.889 -2.487 -13.273 1.00 0.44 H new ATOM 0 HG3 PRO A 54 -4.562 -1.418 -12.863 1.00 0.44 H new ATOM 0 HD2 PRO A 54 -6.868 -1.446 -11.414 1.00 65.32 H new ATOM 0 HD3 PRO A 54 -5.928 0.020 -11.609 1.00 65.32 H new ATOM 787 N CYS A 55 -8.399 -0.974 -16.417 1.00 54.05 N ATOM 788 CA CYS A 55 -9.244 -1.844 -17.226 1.00 11.22 C ATOM 789 C CYS A 55 -8.450 -3.036 -17.752 1.00 14.41 C ATOM 790 O CYS A 55 -7.327 -2.884 -18.231 1.00 33.50 O ATOM 791 CB CYS A 55 -9.847 -1.063 -18.396 1.00 11.51 C ATOM 792 SG CYS A 55 -11.461 -0.303 -18.028 1.00 51.21 S ATOM 0 H CYS A 55 -8.017 -0.172 -16.919 1.00 54.05 H new ATOM 0 HA CYS A 55 -10.050 -2.216 -16.593 1.00 11.22 H new ATOM 0 HB2 CYS A 55 -9.149 -0.281 -18.695 1.00 11.51 H new ATOM 0 HB3 CYS A 55 -9.959 -1.734 -19.248 1.00 11.51 H new ATOM 798 N ASN A 56 -9.042 -4.222 -17.657 1.00 60.23 N ATOM 799 CA ASN A 56 -8.391 -5.442 -18.124 1.00 52.21 C ATOM 800 C ASN A 56 -7.142 -5.739 -17.301 1.00 30.44 C ATOM 801 O ASN A 56 -6.029 -5.754 -17.825 1.00 42.24 O ATOM 802 CB ASN A 56 -8.021 -5.312 -19.604 1.00 31.24 C ATOM 803 CG ASN A 56 -9.056 -4.535 -20.393 1.00 71.34 C ATOM 804 OD1 ASN A 56 -10.259 -4.747 -20.238 1.00 2.44 O ATOM 805 ND2 ASN A 56 -8.592 -3.629 -21.246 1.00 63.21 N ATOM 0 H ASN A 56 -9.971 -4.365 -17.261 1.00 60.23 H new ATOM 0 HA ASN A 56 -9.091 -6.269 -18.002 1.00 52.21 H new ATOM 0 HB2 ASN A 56 -7.054 -4.816 -19.692 1.00 31.24 H new ATOM 0 HB3 ASN A 56 -7.910 -6.306 -20.036 1.00 31.24 H new ATOM 0 HD21 ASN A 56 -9.241 -3.075 -21.805 1.00 63.21 H new ATOM 0 HD22 ASN A 56 -7.587 -3.487 -21.342 1.00 63.21 H new ATOM 812 N TRP A 57 -7.335 -5.977 -16.008 1.00 41.10 N ATOM 813 CA TRP A 57 -6.225 -6.276 -15.112 1.00 0.23 C ATOM 814 C TRP A 57 -6.558 -7.456 -14.206 1.00 32.12 C ATOM 815 O TRP A 57 -7.678 -7.572 -13.709 1.00 1.15 O ATOM 816 CB TRP A 57 -5.882 -5.049 -14.265 1.00 10.24 C ATOM 817 CG TRP A 57 -6.737 -4.914 -13.042 1.00 51.34 C ATOM 818 CD1 TRP A 57 -8.064 -4.592 -13.002 1.00 35.12 C ATOM 819 CD2 TRP A 57 -6.325 -5.093 -11.683 1.00 44.13 C ATOM 820 NE1 TRP A 57 -8.501 -4.561 -11.699 1.00 52.53 N ATOM 821 CE2 TRP A 57 -7.453 -4.864 -10.871 1.00 74.12 C ATOM 822 CE3 TRP A 57 -5.112 -5.424 -11.072 1.00 50.10 C ATOM 823 CZ2 TRP A 57 -7.402 -4.958 -9.483 1.00 34.44 C ATOM 824 CZ3 TRP A 57 -5.063 -5.515 -9.695 1.00 32.50 C ATOM 825 CH2 TRP A 57 -6.203 -5.285 -8.913 1.00 2.44 C ATOM 0 H TRP A 57 -8.250 -5.969 -15.557 1.00 41.10 H new ATOM 0 HA TRP A 57 -5.361 -6.542 -15.721 1.00 0.23 H new ATOM 0 HB2 TRP A 57 -4.836 -5.105 -13.964 1.00 10.24 H new ATOM 0 HB3 TRP A 57 -5.990 -4.153 -14.876 1.00 10.24 H new ATOM 0 HD1 TRP A 57 -8.679 -4.391 -13.867 1.00 35.12 H new ATOM 0 HE1 TRP A 57 -9.452 -4.347 -11.398 1.00 52.53 H new ATOM 0 HE3 TRP A 57 -4.229 -5.605 -11.666 1.00 50.10 H new ATOM 0 HZ2 TRP A 57 -8.278 -4.779 -8.878 1.00 34.44 H new ATOM 0 HZ3 TRP A 57 -4.130 -5.768 -9.213 1.00 32.50 H new ATOM 0 HH2 TRP A 57 -6.133 -5.368 -7.838 1.00 2.44 H new ATOM 836 N LYS A 58 -5.580 -8.330 -13.995 1.00 63.01 N ATOM 837 CA LYS A 58 -5.769 -9.502 -13.148 1.00 21.30 C ATOM 838 C LYS A 58 -4.428 -10.135 -12.787 1.00 51.05 C ATOM 839 O LYS A 58 -4.329 -11.350 -12.618 1.00 14.52 O ATOM 840 CB LYS A 58 -6.656 -10.531 -13.854 1.00 52.55 C ATOM 841 CG LYS A 58 -6.126 -10.962 -15.211 1.00 63.31 C ATOM 842 CD LYS A 58 -6.198 -12.470 -15.383 1.00 24.31 C ATOM 843 CE LYS A 58 -5.512 -12.918 -16.665 1.00 25.04 C ATOM 844 NZ LYS A 58 -6.493 -13.223 -17.741 1.00 75.31 N ATOM 0 H LYS A 58 -4.647 -8.249 -14.399 1.00 63.01 H new ATOM 0 HA LYS A 58 -6.258 -9.179 -12.229 1.00 21.30 H new ATOM 0 HB2 LYS A 58 -6.757 -11.410 -13.217 1.00 52.55 H new ATOM 0 HB3 LYS A 58 -7.655 -10.112 -13.980 1.00 52.55 H new ATOM 0 HG2 LYS A 58 -6.702 -10.477 -15.999 1.00 63.31 H new ATOM 0 HG3 LYS A 58 -5.093 -10.631 -15.321 1.00 63.31 H new ATOM 0 HD2 LYS A 58 -5.729 -12.958 -14.528 1.00 24.31 H new ATOM 0 HD3 LYS A 58 -7.241 -12.786 -15.397 1.00 24.31 H new ATOM 0 HE2 LYS A 58 -4.831 -12.137 -17.005 1.00 25.04 H new ATOM 0 HE3 LYS A 58 -4.907 -13.802 -16.463 1.00 25.04 H new ATOM 0 HZ1 LYS A 58 -5.986 -13.525 -18.598 1.00 75.31 H new ATOM 0 HZ2 LYS A 58 -7.127 -13.986 -17.427 1.00 75.31 H new ATOM 0 HZ3 LYS A 58 -7.053 -12.372 -17.952 1.00 75.31 H new ATOM 858 N LYS A 59 -3.399 -9.302 -12.671 1.00 53.15 N ATOM 859 CA LYS A 59 -2.064 -9.779 -12.327 1.00 50.14 C ATOM 860 C LYS A 59 -1.079 -8.618 -12.241 1.00 43.10 C ATOM 861 O LYS A 59 -1.140 -7.679 -13.034 1.00 35.32 O ATOM 862 CB LYS A 59 -1.582 -10.796 -13.363 1.00 2.25 C ATOM 863 CG LYS A 59 -1.333 -12.179 -12.786 1.00 73.21 C ATOM 864 CD LYS A 59 -0.082 -12.812 -13.375 1.00 53.12 C ATOM 865 CE LYS A 59 0.256 -14.123 -12.684 1.00 34.40 C ATOM 866 NZ LYS A 59 -0.720 -15.197 -13.022 1.00 62.21 N ATOM 0 H LYS A 59 -3.464 -8.294 -12.810 1.00 53.15 H new ATOM 0 HA LYS A 59 -2.116 -10.261 -11.351 1.00 50.14 H new ATOM 0 HB2 LYS A 59 -2.323 -10.871 -14.158 1.00 2.25 H new ATOM 0 HB3 LYS A 59 -0.662 -10.430 -13.818 1.00 2.25 H new ATOM 0 HG2 LYS A 59 -1.231 -12.110 -11.703 1.00 73.21 H new ATOM 0 HG3 LYS A 59 -2.193 -12.818 -12.985 1.00 73.21 H new ATOM 0 HD2 LYS A 59 -0.229 -12.988 -14.441 1.00 53.12 H new ATOM 0 HD3 LYS A 59 0.756 -12.122 -13.279 1.00 53.12 H new ATOM 0 HE2 LYS A 59 1.258 -14.439 -12.974 1.00 34.40 H new ATOM 0 HE3 LYS A 59 0.270 -13.971 -11.605 1.00 34.40 H new ATOM 0 HZ1 LYS A 59 -0.454 -16.075 -12.531 1.00 62.21 H new ATOM 0 HZ2 LYS A 59 -1.673 -14.907 -12.722 1.00 62.21 H new ATOM 0 HZ3 LYS A 59 -0.715 -15.360 -14.049 1.00 62.21 H new ATOM 880 N GLU A 60 -0.169 -8.691 -11.273 1.00 72.43 N ATOM 881 CA GLU A 60 0.830 -7.646 -11.085 1.00 60.45 C ATOM 882 C GLU A 60 1.793 -8.012 -9.960 1.00 65.12 C ATOM 883 O GLU A 60 1.381 -8.494 -8.906 1.00 34.33 O ATOM 884 CB GLU A 60 0.151 -6.310 -10.776 1.00 24.54 C ATOM 885 CG GLU A 60 0.697 -5.147 -11.589 1.00 13.33 C ATOM 886 CD GLU A 60 -0.292 -4.646 -12.623 1.00 42.13 C ATOM 887 OE1 GLU A 60 -1.185 -3.854 -12.255 1.00 33.21 O ATOM 888 OE2 GLU A 60 -0.174 -5.045 -13.800 1.00 42.12 O ATOM 0 H GLU A 60 -0.104 -9.462 -10.608 1.00 72.43 H new ATOM 0 HA GLU A 60 1.398 -7.551 -12.010 1.00 60.45 H new ATOM 0 HB2 GLU A 60 -0.919 -6.404 -10.964 1.00 24.54 H new ATOM 0 HB3 GLU A 60 0.270 -6.088 -9.715 1.00 24.54 H new ATOM 0 HG2 GLU A 60 0.960 -4.330 -10.917 1.00 13.33 H new ATOM 0 HG3 GLU A 60 1.615 -5.457 -12.089 1.00 13.33 H new ATOM 895 N PHE A 61 3.082 -7.778 -10.193 1.00 55.23 N ATOM 896 CA PHE A 61 4.105 -8.083 -9.201 1.00 44.42 C ATOM 897 C PHE A 61 4.922 -6.839 -8.860 1.00 72.45 C ATOM 898 O PHE A 61 4.835 -6.309 -7.755 1.00 14.02 O ATOM 899 CB PHE A 61 5.030 -9.189 -9.715 1.00 45.44 C ATOM 900 CG PHE A 61 4.621 -10.566 -9.274 1.00 1.22 C ATOM 901 CD1 PHE A 61 3.735 -11.317 -10.030 1.00 3.24 C ATOM 902 CD2 PHE A 61 5.123 -11.108 -8.101 1.00 73.24 C ATOM 903 CE1 PHE A 61 3.359 -12.583 -9.627 1.00 11.33 C ATOM 904 CE2 PHE A 61 4.749 -12.375 -7.693 1.00 53.52 C ATOM 905 CZ PHE A 61 3.865 -13.113 -8.457 1.00 11.51 C ATOM 0 H PHE A 61 3.441 -7.378 -11.060 1.00 55.23 H new ATOM 0 HA PHE A 61 3.606 -8.427 -8.295 1.00 44.42 H new ATOM 0 HB2 PHE A 61 5.052 -9.157 -10.804 1.00 45.44 H new ATOM 0 HB3 PHE A 61 6.045 -8.992 -9.370 1.00 45.44 H new ATOM 0 HD1 PHE A 61 3.334 -10.907 -10.945 1.00 3.24 H new ATOM 0 HD2 PHE A 61 5.813 -10.535 -7.500 1.00 73.24 H new ATOM 0 HE1 PHE A 61 2.669 -13.158 -10.227 1.00 11.33 H new ATOM 0 HE2 PHE A 61 5.147 -12.788 -6.778 1.00 53.52 H new ATOM 0 HZ PHE A 61 3.571 -14.102 -8.139 1.00 11.51 H new ATOM 915 N GLY A 62 5.717 -6.379 -9.823 1.00 15.24 N ATOM 916 CA GLY A 62 6.538 -5.202 -9.607 1.00 34.21 C ATOM 917 C GLY A 62 7.392 -5.313 -8.359 1.00 72.33 C ATOM 918 O GLY A 62 7.071 -4.728 -7.325 1.00 52.31 O ATOM 0 H GLY A 62 5.806 -6.800 -10.748 1.00 15.24 H new ATOM 0 HA2 GLY A 62 7.183 -5.048 -10.472 1.00 34.21 H new ATOM 0 HA3 GLY A 62 5.896 -4.324 -9.528 1.00 34.21 H new ATOM 922 N ALA A 63 8.482 -6.066 -8.454 1.00 30.40 N ATOM 923 CA ALA A 63 9.385 -6.251 -7.325 1.00 23.14 C ATOM 924 C ALA A 63 10.841 -6.232 -7.776 1.00 62.53 C ATOM 925 O ALA A 63 11.142 -5.889 -8.921 1.00 1.55 O ATOM 926 CB ALA A 63 9.071 -7.554 -6.606 1.00 34.42 C ATOM 0 H ALA A 63 8.762 -6.559 -9.302 1.00 30.40 H new ATOM 0 HA ALA A 63 9.236 -5.422 -6.634 1.00 23.14 H new ATOM 0 HB1 ALA A 63 9.753 -7.679 -5.765 1.00 34.42 H new ATOM 0 HB2 ALA A 63 8.045 -7.529 -6.240 1.00 34.42 H new ATOM 0 HB3 ALA A 63 9.190 -8.389 -7.297 1.00 34.42 H new ATOM 932 N ASP A 64 11.741 -6.602 -6.872 1.00 32.10 N ATOM 933 CA ASP A 64 13.167 -6.627 -7.179 1.00 34.05 C ATOM 934 C ASP A 64 13.618 -5.297 -7.773 1.00 63.22 C ATOM 935 O ASP A 64 12.880 -4.312 -7.753 1.00 32.23 O ATOM 936 CB ASP A 64 13.481 -7.767 -8.149 1.00 43.34 C ATOM 937 CG ASP A 64 12.857 -9.081 -7.722 1.00 5.23 C ATOM 938 OD1 ASP A 64 13.151 -9.539 -6.598 1.00 44.42 O ATOM 939 OD2 ASP A 64 12.074 -9.651 -8.511 1.00 30.52 O ATOM 0 H ASP A 64 11.509 -6.889 -5.921 1.00 32.10 H new ATOM 0 HA ASP A 64 13.712 -6.792 -6.249 1.00 34.05 H new ATOM 0 HB2 ASP A 64 13.120 -7.503 -9.143 1.00 43.34 H new ATOM 0 HB3 ASP A 64 14.562 -7.889 -8.224 1.00 43.34 H new ATOM 944 N CYS A 65 14.838 -5.274 -8.301 1.00 71.30 N ATOM 945 CA CYS A 65 15.390 -4.066 -8.900 1.00 3.20 C ATOM 946 C CYS A 65 16.382 -4.411 -10.007 1.00 0.15 C ATOM 947 O CYS A 65 17.257 -5.260 -9.831 1.00 30.33 O ATOM 948 CB CYS A 65 16.078 -3.212 -7.833 1.00 73.12 C ATOM 949 SG CYS A 65 15.795 -1.421 -8.018 1.00 4.03 S ATOM 0 H CYS A 65 15.463 -6.080 -8.326 1.00 71.30 H new ATOM 0 HA CYS A 65 14.568 -3.499 -9.337 1.00 3.20 H new ATOM 0 HB2 CYS A 65 15.726 -3.525 -6.850 1.00 73.12 H new ATOM 0 HB3 CYS A 65 17.150 -3.405 -7.864 1.00 73.12 H new ATOM 955 N LYS A 66 16.239 -3.748 -11.150 1.00 23.03 N ATOM 956 CA LYS A 66 17.121 -3.982 -12.285 1.00 63.34 C ATOM 957 C LYS A 66 18.240 -2.945 -12.329 1.00 31.41 C ATOM 958 O LYS A 66 18.016 -1.764 -12.069 1.00 11.33 O ATOM 959 CB LYS A 66 16.327 -3.942 -13.592 1.00 53.14 C ATOM 960 CG LYS A 66 16.254 -5.283 -14.301 1.00 43.13 C ATOM 961 CD LYS A 66 15.015 -5.385 -15.176 1.00 32.40 C ATOM 962 CE LYS A 66 15.243 -6.316 -16.356 1.00 73.53 C ATOM 963 NZ LYS A 66 14.024 -6.445 -17.205 1.00 4.11 N ATOM 0 H LYS A 66 15.519 -3.044 -11.314 1.00 23.03 H new ATOM 0 HA LYS A 66 17.567 -4.969 -12.167 1.00 63.34 H new ATOM 0 HB2 LYS A 66 15.315 -3.596 -13.382 1.00 53.14 H new ATOM 0 HB3 LYS A 66 16.781 -3.211 -14.261 1.00 53.14 H new ATOM 0 HG2 LYS A 66 17.145 -5.421 -14.913 1.00 43.13 H new ATOM 0 HG3 LYS A 66 16.247 -6.086 -13.563 1.00 43.13 H new ATOM 0 HD2 LYS A 66 14.177 -5.748 -14.581 1.00 32.40 H new ATOM 0 HD3 LYS A 66 14.742 -4.394 -15.540 1.00 32.40 H new ATOM 0 HE2 LYS A 66 16.069 -5.941 -16.961 1.00 73.53 H new ATOM 0 HE3 LYS A 66 15.537 -7.300 -15.991 1.00 73.53 H new ATOM 0 HZ1 LYS A 66 14.220 -7.088 -17.999 1.00 4.11 H new ATOM 0 HZ2 LYS A 66 13.243 -6.827 -16.635 1.00 4.11 H new ATOM 0 HZ3 LYS A 66 13.758 -5.510 -17.575 1.00 4.11 H new ATOM 977 N TYR A 67 19.447 -3.397 -12.657 1.00 61.14 N ATOM 978 CA TYR A 67 20.601 -2.509 -12.734 1.00 15.43 C ATOM 979 C TYR A 67 21.376 -2.731 -14.028 1.00 75.33 C ATOM 980 O TYR A 67 21.174 -3.727 -14.724 1.00 74.23 O ATOM 981 CB TYR A 67 21.520 -2.730 -11.531 1.00 63.31 C ATOM 982 CG TYR A 67 21.086 -1.982 -10.291 1.00 22.30 C ATOM 983 CD1 TYR A 67 19.959 -2.373 -9.579 1.00 33.41 C ATOM 984 CD2 TYR A 67 21.804 -0.887 -9.830 1.00 45.32 C ATOM 985 CE1 TYR A 67 19.559 -1.693 -8.446 1.00 14.31 C ATOM 986 CE2 TYR A 67 21.412 -0.199 -8.698 1.00 31.42 C ATOM 987 CZ TYR A 67 20.288 -0.607 -8.009 1.00 73.30 C ATOM 988 OH TYR A 67 19.894 0.072 -6.879 1.00 52.43 O ATOM 0 H TYR A 67 19.651 -4.373 -12.874 1.00 61.14 H new ATOM 0 HA TYR A 67 20.238 -1.481 -12.723 1.00 15.43 H new ATOM 0 HB2 TYR A 67 21.560 -3.796 -11.306 1.00 63.31 H new ATOM 0 HB3 TYR A 67 22.531 -2.421 -11.796 1.00 63.31 H new ATOM 0 HD1 TYR A 67 19.386 -3.223 -9.918 1.00 33.41 H new ATOM 0 HD2 TYR A 67 22.685 -0.567 -10.366 1.00 45.32 H new ATOM 0 HE1 TYR A 67 18.680 -2.010 -7.905 1.00 14.31 H new ATOM 0 HE2 TYR A 67 21.981 0.652 -8.355 1.00 31.42 H new ATOM 0 HH TYR A 67 20.073 1.029 -6.993 1.00 52.43 H new ATOM 998 N LYS A 68 22.265 -1.798 -14.346 1.00 44.41 N ATOM 999 CA LYS A 68 23.074 -1.890 -15.556 1.00 41.52 C ATOM 1000 C LYS A 68 24.483 -2.374 -15.233 1.00 33.51 C ATOM 1001 O LYS A 68 25.341 -1.593 -14.820 1.00 51.22 O ATOM 1002 CB LYS A 68 23.138 -0.530 -16.255 1.00 11.04 C ATOM 1003 CG LYS A 68 22.780 -0.586 -17.730 1.00 61.54 C ATOM 1004 CD LYS A 68 21.291 -0.810 -17.934 1.00 14.43 C ATOM 1005 CE LYS A 68 20.880 -0.554 -19.376 1.00 32.13 C ATOM 1006 NZ LYS A 68 19.452 -0.897 -19.616 1.00 61.41 N ATOM 0 H LYS A 68 22.445 -0.967 -13.782 1.00 44.41 H new ATOM 0 HA LYS A 68 22.605 -2.613 -16.223 1.00 41.52 H new ATOM 0 HB2 LYS A 68 22.461 0.160 -15.751 1.00 11.04 H new ATOM 0 HB3 LYS A 68 24.144 -0.124 -16.149 1.00 11.04 H new ATOM 0 HG2 LYS A 68 23.079 0.344 -18.213 1.00 61.54 H new ATOM 0 HG3 LYS A 68 23.339 -1.389 -18.211 1.00 61.54 H new ATOM 0 HD2 LYS A 68 21.035 -1.833 -17.658 1.00 14.43 H new ATOM 0 HD3 LYS A 68 20.729 -0.151 -17.272 1.00 14.43 H new ATOM 0 HE2 LYS A 68 21.047 0.495 -19.620 1.00 32.13 H new ATOM 0 HE3 LYS A 68 21.511 -1.141 -20.043 1.00 32.13 H new ATOM 0 HZ1 LYS A 68 19.212 -0.708 -20.610 1.00 61.41 H new ATOM 0 HZ2 LYS A 68 19.297 -1.904 -19.408 1.00 61.41 H new ATOM 0 HZ3 LYS A 68 18.847 -0.319 -18.998 1.00 61.41 H new ATOM 1020 N PHE A 69 24.717 -3.669 -15.424 1.00 41.30 N ATOM 1021 CA PHE A 69 26.023 -4.258 -15.153 1.00 2.43 C ATOM 1022 C PHE A 69 26.913 -4.198 -16.390 1.00 5.21 C ATOM 1023 O PHE A 69 26.471 -4.486 -17.502 1.00 53.21 O ATOM 1024 CB PHE A 69 25.866 -5.709 -14.693 1.00 14.53 C ATOM 1025 CG PHE A 69 25.070 -5.854 -13.428 1.00 52.20 C ATOM 1026 CD1 PHE A 69 25.357 -5.072 -12.319 1.00 54.24 C ATOM 1027 CD2 PHE A 69 24.037 -6.773 -13.345 1.00 55.21 C ATOM 1028 CE1 PHE A 69 24.626 -5.203 -11.154 1.00 52.31 C ATOM 1029 CE2 PHE A 69 23.303 -6.908 -12.181 1.00 61.13 C ATOM 1030 CZ PHE A 69 23.598 -6.123 -11.084 1.00 0.11 C ATOM 0 H PHE A 69 24.019 -4.330 -15.765 1.00 41.30 H new ATOM 0 HA PHE A 69 26.496 -3.682 -14.358 1.00 2.43 H new ATOM 0 HB2 PHE A 69 25.383 -6.282 -15.484 1.00 14.53 H new ATOM 0 HB3 PHE A 69 26.854 -6.143 -14.543 1.00 14.53 H new ATOM 0 HD1 PHE A 69 26.161 -4.353 -12.367 1.00 54.24 H new ATOM 0 HD2 PHE A 69 23.802 -7.391 -14.199 1.00 55.21 H new ATOM 0 HE1 PHE A 69 24.858 -4.586 -10.298 1.00 52.31 H new ATOM 0 HE2 PHE A 69 22.499 -7.627 -12.130 1.00 61.13 H new ATOM 0 HZ PHE A 69 23.026 -6.228 -10.174 1.00 0.11 H new ATOM 1040 N GLY A 70 28.173 -3.821 -16.188 1.00 41.15 N ATOM 1041 CA GLY A 70 29.106 -3.730 -17.295 1.00 40.45 C ATOM 1042 C GLY A 70 30.203 -4.772 -17.217 1.00 13.42 C ATOM 1043 O GLY A 70 31.352 -4.451 -16.916 1.00 30.31 O ATOM 0 H GLY A 70 28.563 -3.577 -15.278 1.00 41.15 H new ATOM 0 HA2 GLY A 70 28.564 -3.848 -18.233 1.00 40.45 H new ATOM 0 HA3 GLY A 70 29.554 -2.736 -17.308 1.00 40.45 H new ATOM 1047 N ASN A 71 29.849 -6.025 -17.486 1.00 42.54 N ATOM 1048 CA ASN A 71 30.812 -7.117 -17.442 1.00 0.13 C ATOM 1049 C ASN A 71 31.298 -7.356 -16.016 1.00 22.45 C ATOM 1050 O ASN A 71 31.748 -6.431 -15.339 1.00 24.21 O ATOM 1051 CB ASN A 71 32.002 -6.814 -18.354 1.00 3.00 C ATOM 1052 CG ASN A 71 32.145 -7.826 -19.475 1.00 54.33 C ATOM 1053 OD1 ASN A 71 33.160 -8.515 -19.579 1.00 60.22 O ATOM 1054 ND2 ASN A 71 31.125 -7.920 -20.319 1.00 44.14 N ATOM 0 H ASN A 71 28.902 -6.308 -17.737 1.00 42.54 H new ATOM 0 HA ASN A 71 30.315 -8.021 -17.794 1.00 0.13 H new ATOM 0 HB2 ASN A 71 31.885 -5.818 -18.781 1.00 3.00 H new ATOM 0 HB3 ASN A 71 32.917 -6.801 -17.761 1.00 3.00 H new ATOM 0 HD21 ASN A 71 31.163 -8.584 -21.093 1.00 44.14 H new ATOM 0 HD22 ASN A 71 30.303 -7.329 -20.194 1.00 44.14 H new ATOM 1061 N TRP A 72 31.207 -8.603 -15.566 1.00 73.21 N ATOM 1062 CA TRP A 72 31.638 -8.963 -14.220 1.00 44.13 C ATOM 1063 C TRP A 72 33.149 -8.820 -14.076 1.00 30.14 C ATOM 1064 O TRP A 72 33.893 -8.986 -15.042 1.00 42.23 O ATOM 1065 CB TRP A 72 31.215 -10.397 -13.895 1.00 23.23 C ATOM 1066 CG TRP A 72 29.743 -10.632 -14.048 1.00 64.52 C ATOM 1067 CD1 TRP A 72 29.063 -10.818 -15.217 1.00 33.21 C ATOM 1068 CD2 TRP A 72 28.772 -10.704 -12.999 1.00 70.30 C ATOM 1069 NE1 TRP A 72 27.725 -11.002 -14.957 1.00 23.43 N ATOM 1070 CE2 TRP A 72 27.522 -10.937 -13.604 1.00 32.30 C ATOM 1071 CE3 TRP A 72 28.837 -10.596 -11.607 1.00 63.21 C ATOM 1072 CZ2 TRP A 72 26.349 -11.063 -12.864 1.00 65.24 C ATOM 1073 CZ3 TRP A 72 27.672 -10.720 -10.875 1.00 23.13 C ATOM 1074 CH2 TRP A 72 26.442 -10.953 -11.504 1.00 65.32 C ATOM 0 H TRP A 72 30.839 -9.381 -16.113 1.00 73.21 H new ATOM 0 HA TRP A 72 31.159 -8.282 -13.517 1.00 44.13 H new ATOM 0 HB2 TRP A 72 31.755 -11.084 -14.547 1.00 23.23 H new ATOM 0 HB3 TRP A 72 31.509 -10.632 -12.872 1.00 23.23 H new ATOM 0 HD1 TRP A 72 29.510 -10.820 -16.200 1.00 33.21 H new ATOM 0 HE1 TRP A 72 27.001 -11.161 -15.658 1.00 23.43 H new ATOM 0 HE3 TRP A 72 29.781 -10.419 -11.113 1.00 63.21 H new ATOM 0 HZ2 TRP A 72 25.400 -11.241 -13.347 1.00 65.24 H new ATOM 0 HZ3 TRP A 72 27.710 -10.636 -9.799 1.00 23.13 H new ATOM 0 HH2 TRP A 72 25.550 -11.048 -10.903 1.00 65.32 H new ATOM 1085 N GLY A 73 33.597 -8.512 -12.863 1.00 44.20 N ATOM 1086 CA GLY A 73 35.018 -8.352 -12.617 1.00 2.25 C ATOM 1087 C GLY A 73 35.795 -9.633 -12.847 1.00 13.05 C ATOM 1088 O GLY A 73 35.318 -10.541 -13.527 1.00 1.54 O ATOM 0 H GLY A 73 33.002 -8.371 -12.047 1.00 44.20 H new ATOM 0 HA2 GLY A 73 35.410 -7.571 -13.268 1.00 2.25 H new ATOM 0 HA3 GLY A 73 35.170 -8.018 -11.591 1.00 2.25 H new ATOM 1092 N GLU A 74 36.995 -9.707 -12.278 1.00 55.43 N ATOM 1093 CA GLU A 74 37.838 -10.886 -12.427 1.00 64.51 C ATOM 1094 C GLU A 74 37.392 -11.997 -11.482 1.00 4.33 C ATOM 1095 O GLU A 74 36.997 -11.739 -10.344 1.00 44.15 O ATOM 1096 CB GLU A 74 39.302 -10.529 -12.160 1.00 31.04 C ATOM 1097 CG GLU A 74 39.549 -9.972 -10.767 1.00 54.15 C ATOM 1098 CD GLU A 74 40.261 -10.957 -9.862 1.00 52.31 C ATOM 1099 OE1 GLU A 74 39.828 -12.127 -9.802 1.00 34.05 O ATOM 1100 OE2 GLU A 74 41.250 -10.559 -9.212 1.00 24.04 O ATOM 0 H GLU A 74 37.404 -8.965 -11.710 1.00 55.43 H new ATOM 0 HA GLU A 74 37.740 -11.245 -13.452 1.00 64.51 H new ATOM 0 HB2 GLU A 74 39.916 -11.419 -12.300 1.00 31.04 H new ATOM 0 HB3 GLU A 74 39.629 -9.797 -12.898 1.00 31.04 H new ATOM 0 HG2 GLU A 74 40.143 -9.061 -10.844 1.00 54.15 H new ATOM 0 HG3 GLU A 74 38.596 -9.694 -10.317 1.00 54.15 H new ATOM 1107 N CYS A 75 37.458 -13.235 -11.960 1.00 24.51 N ATOM 1108 CA CYS A 75 37.062 -14.387 -11.159 1.00 54.32 C ATOM 1109 C CYS A 75 38.214 -14.860 -10.278 1.00 32.02 C ATOM 1110 O CYS A 75 39.304 -15.153 -10.767 1.00 44.23 O ATOM 1111 CB CYS A 75 36.596 -15.528 -12.067 1.00 3.02 C ATOM 1112 SG CYS A 75 34.945 -15.276 -12.791 1.00 60.22 S ATOM 0 H CYS A 75 37.782 -13.466 -12.899 1.00 24.51 H new ATOM 0 HA CYS A 75 36.237 -14.084 -10.514 1.00 54.32 H new ATOM 0 HB2 CYS A 75 37.319 -15.655 -12.873 1.00 3.02 H new ATOM 0 HB3 CYS A 75 36.592 -16.455 -11.494 1.00 3.02 H new ATOM 1118 N ASP A 76 37.963 -14.932 -8.976 1.00 2.41 N ATOM 1119 CA ASP A 76 38.979 -15.371 -8.025 1.00 2.12 C ATOM 1120 C ASP A 76 38.755 -16.825 -7.624 1.00 4.44 C ATOM 1121 O ASP A 76 37.890 -17.126 -6.801 1.00 73.40 O ATOM 1122 CB ASP A 76 38.964 -14.478 -6.783 1.00 23.11 C ATOM 1123 CG ASP A 76 39.989 -13.364 -6.858 1.00 44.24 C ATOM 1124 OD1 ASP A 76 41.141 -13.643 -7.253 1.00 74.01 O ATOM 1125 OD2 ASP A 76 39.640 -12.212 -6.523 1.00 22.31 O ATOM 0 H ASP A 76 37.066 -14.692 -8.554 1.00 2.41 H new ATOM 0 HA ASP A 76 39.953 -15.292 -8.508 1.00 2.12 H new ATOM 0 HB2 ASP A 76 37.971 -14.046 -6.662 1.00 23.11 H new ATOM 0 HB3 ASP A 76 39.157 -15.086 -5.899 1.00 23.11 H new ATOM 1130 N ALA A 77 39.540 -17.722 -8.210 1.00 64.32 N ATOM 1131 CA ALA A 77 39.429 -19.146 -7.913 1.00 54.51 C ATOM 1132 C ALA A 77 39.746 -19.428 -6.449 1.00 24.14 C ATOM 1133 O ALA A 77 39.418 -20.492 -5.926 1.00 11.01 O ATOM 1134 CB ALA A 77 40.351 -19.948 -8.820 1.00 12.52 C ATOM 0 H ALA A 77 40.260 -17.489 -8.894 1.00 64.32 H new ATOM 0 HA ALA A 77 38.399 -19.452 -8.099 1.00 54.51 H new ATOM 0 HB1 ALA A 77 40.258 -21.009 -8.587 1.00 12.52 H new ATOM 0 HB2 ALA A 77 40.075 -19.779 -9.861 1.00 12.52 H new ATOM 0 HB3 ALA A 77 41.382 -19.631 -8.663 1.00 12.52 H new ATOM 1140 N ALA A 78 40.387 -18.466 -5.792 1.00 55.43 N ATOM 1141 CA ALA A 78 40.747 -18.611 -4.386 1.00 33.21 C ATOM 1142 C ALA A 78 39.518 -18.498 -3.490 1.00 31.10 C ATOM 1143 O ALA A 78 39.507 -19.006 -2.367 1.00 40.32 O ATOM 1144 CB ALA A 78 41.784 -17.567 -3.997 1.00 41.11 C ATOM 0 H ALA A 78 40.667 -17.579 -6.210 1.00 55.43 H new ATOM 0 HA ALA A 78 41.176 -19.603 -4.246 1.00 33.21 H new ATOM 0 HB1 ALA A 78 42.044 -17.686 -2.945 1.00 41.11 H new ATOM 0 HB2 ALA A 78 42.677 -17.696 -4.608 1.00 41.11 H new ATOM 0 HB3 ALA A 78 41.375 -16.570 -4.159 1.00 41.11 H new ATOM 1150 N THR A 79 38.485 -17.829 -3.992 1.00 10.25 N ATOM 1151 CA THR A 79 37.252 -17.648 -3.235 1.00 41.40 C ATOM 1152 C THR A 79 36.055 -18.208 -3.993 1.00 72.32 C ATOM 1153 O THR A 79 34.944 -18.265 -3.466 1.00 1.02 O ATOM 1154 CB THR A 79 36.998 -16.162 -2.923 1.00 43.32 C ATOM 1155 OG1 THR A 79 35.837 -16.026 -2.096 1.00 74.52 O ATOM 1156 CG2 THR A 79 36.812 -15.362 -4.204 1.00 32.21 C ATOM 0 H THR A 79 38.477 -17.404 -4.919 1.00 10.25 H new ATOM 0 HA THR A 79 37.373 -18.193 -2.299 1.00 41.40 H new ATOM 0 HB THR A 79 37.868 -15.772 -2.394 1.00 43.32 H new ATOM 0 HG1 THR A 79 35.055 -15.840 -2.657 1.00 74.52 H new ATOM 0 HG21 THR A 79 36.634 -14.315 -3.957 1.00 32.21 H new ATOM 0 HG22 THR A 79 37.710 -15.442 -4.817 1.00 32.21 H new ATOM 0 HG23 THR A 79 35.959 -15.754 -4.757 1.00 32.21 H new ATOM 1164 N SER A 80 36.287 -18.620 -5.236 1.00 32.32 N ATOM 1165 CA SER A 80 35.226 -19.174 -6.069 1.00 54.10 C ATOM 1166 C SER A 80 34.042 -18.215 -6.148 1.00 34.20 C ATOM 1167 O SER A 80 32.900 -18.633 -6.339 1.00 62.14 O ATOM 1168 CB SER A 80 34.766 -20.525 -5.516 1.00 73.23 C ATOM 1169 OG SER A 80 33.744 -21.084 -6.322 1.00 34.31 O ATOM 0 H SER A 80 37.201 -18.580 -5.688 1.00 32.32 H new ATOM 0 HA SER A 80 35.624 -19.317 -7.074 1.00 54.10 H new ATOM 0 HB2 SER A 80 35.613 -21.210 -5.470 1.00 73.23 H new ATOM 0 HB3 SER A 80 34.402 -20.399 -4.496 1.00 73.23 H new ATOM 0 HG SER A 80 33.047 -20.413 -6.479 1.00 34.31 H new ATOM 1175 N THR A 81 34.323 -16.925 -5.999 1.00 40.33 N ATOM 1176 CA THR A 81 33.284 -15.904 -6.053 1.00 74.54 C ATOM 1177 C THR A 81 33.836 -14.582 -6.572 1.00 1.03 C ATOM 1178 O THR A 81 34.981 -14.224 -6.295 1.00 13.30 O ATOM 1179 CB THR A 81 32.651 -15.674 -4.668 1.00 12.23 C ATOM 1180 OG1 THR A 81 33.677 -15.514 -3.680 1.00 73.44 O ATOM 1181 CG2 THR A 81 31.748 -16.838 -4.285 1.00 13.41 C ATOM 0 H THR A 81 35.263 -16.562 -5.840 1.00 40.33 H new ATOM 0 HA THR A 81 32.519 -16.268 -6.739 1.00 74.54 H new ATOM 0 HB THR A 81 32.048 -14.767 -4.715 1.00 12.23 H new ATOM 0 HG1 THR A 81 33.266 -15.367 -2.803 1.00 73.44 H new ATOM 0 HG21 THR A 81 31.312 -16.653 -3.303 1.00 13.41 H new ATOM 0 HG22 THR A 81 30.951 -16.938 -5.022 1.00 13.41 H new ATOM 0 HG23 THR A 81 32.333 -17.757 -4.255 1.00 13.41 H new ATOM 1189 N LYS A 82 33.017 -13.859 -7.328 1.00 14.11 N ATOM 1190 CA LYS A 82 33.422 -12.575 -7.885 1.00 12.12 C ATOM 1191 C LYS A 82 32.476 -11.464 -7.438 1.00 42.53 C ATOM 1192 O LYS A 82 31.292 -11.703 -7.200 1.00 3.43 O ATOM 1193 CB LYS A 82 33.454 -12.646 -9.413 1.00 64.15 C ATOM 1194 CG LYS A 82 32.257 -13.362 -10.015 1.00 35.24 C ATOM 1195 CD LYS A 82 31.743 -12.647 -11.253 1.00 60.32 C ATOM 1196 CE LYS A 82 31.421 -13.628 -12.370 1.00 34.53 C ATOM 1197 NZ LYS A 82 32.201 -13.339 -13.604 1.00 24.11 N ATOM 0 H LYS A 82 32.067 -14.142 -7.569 1.00 14.11 H new ATOM 0 HA LYS A 82 34.422 -12.347 -7.516 1.00 12.12 H new ATOM 0 HB2 LYS A 82 33.500 -11.634 -9.814 1.00 64.15 H new ATOM 0 HB3 LYS A 82 34.366 -13.155 -9.725 1.00 64.15 H new ATOM 0 HG2 LYS A 82 32.535 -14.384 -10.273 1.00 35.24 H new ATOM 0 HG3 LYS A 82 31.460 -13.426 -9.274 1.00 35.24 H new ATOM 0 HD2 LYS A 82 30.850 -12.076 -11.000 1.00 60.32 H new ATOM 0 HD3 LYS A 82 32.490 -11.933 -11.599 1.00 60.32 H new ATOM 0 HE2 LYS A 82 31.635 -14.643 -12.035 1.00 34.53 H new ATOM 0 HE3 LYS A 82 30.355 -13.585 -12.595 1.00 34.53 H new ATOM 0 HZ1 LYS A 82 31.548 -13.171 -14.396 1.00 24.11 H new ATOM 0 HZ2 LYS A 82 32.788 -12.494 -13.454 1.00 24.11 H new ATOM 0 HZ3 LYS A 82 32.813 -14.150 -13.826 1.00 24.11 H new ATOM 1211 N SER A 83 33.006 -10.251 -7.327 1.00 70.33 N ATOM 1212 CA SER A 83 32.210 -9.104 -6.906 1.00 54.14 C ATOM 1213 C SER A 83 32.164 -8.042 -8.000 1.00 44.12 C ATOM 1214 O SER A 83 33.100 -7.910 -8.791 1.00 21.53 O ATOM 1215 CB SER A 83 32.781 -8.503 -5.621 1.00 34.13 C ATOM 1216 OG SER A 83 32.150 -9.054 -4.477 1.00 0.04 O ATOM 0 H SER A 83 33.984 -10.037 -7.523 1.00 70.33 H new ATOM 0 HA SER A 83 31.194 -9.450 -6.717 1.00 54.14 H new ATOM 0 HB2 SER A 83 33.854 -8.689 -5.574 1.00 34.13 H new ATOM 0 HB3 SER A 83 32.645 -7.422 -5.630 1.00 34.13 H new ATOM 0 HG SER A 83 32.533 -8.655 -3.668 1.00 0.04 H new ATOM 1222 N ARG A 84 31.072 -7.287 -8.040 1.00 3.43 N ATOM 1223 CA ARG A 84 30.905 -6.237 -9.037 1.00 11.30 C ATOM 1224 C ARG A 84 29.949 -5.158 -8.535 1.00 2.34 C ATOM 1225 O ARG A 84 29.328 -5.303 -7.482 1.00 24.34 O ATOM 1226 CB ARG A 84 30.381 -6.828 -10.347 1.00 74.14 C ATOM 1227 CG ARG A 84 30.935 -6.146 -11.588 1.00 24.00 C ATOM 1228 CD ARG A 84 29.878 -6.020 -12.674 1.00 64.13 C ATOM 1229 NE ARG A 84 29.515 -4.628 -12.926 1.00 70.02 N ATOM 1230 CZ ARG A 84 30.339 -3.741 -13.471 1.00 1.53 C ATOM 1231 NH1 ARG A 84 31.566 -4.097 -13.821 1.00 32.54 N ATOM 1232 NH2 ARG A 84 29.936 -2.492 -13.668 1.00 53.35 N ATOM 0 H ARG A 84 30.289 -7.383 -7.393 1.00 3.43 H new ATOM 0 HA ARG A 84 31.879 -5.781 -9.215 1.00 11.30 H new ATOM 0 HB2 ARG A 84 30.631 -7.888 -10.383 1.00 74.14 H new ATOM 0 HB3 ARG A 84 29.293 -6.757 -10.359 1.00 74.14 H new ATOM 0 HG2 ARG A 84 31.307 -5.156 -11.325 1.00 24.00 H new ATOM 0 HG3 ARG A 84 31.783 -6.715 -11.969 1.00 24.00 H new ATOM 0 HD2 ARG A 84 30.249 -6.470 -13.595 1.00 64.13 H new ATOM 0 HD3 ARG A 84 28.989 -6.579 -12.381 1.00 64.13 H new ATOM 0 HE ARG A 84 28.577 -4.320 -12.669 1.00 70.02 H new ATOM 0 HH11 ARG A 84 31.881 -5.056 -13.672 1.00 32.54 H new ATOM 0 HH12 ARG A 84 32.196 -3.412 -14.239 1.00 32.54 H new ATOM 0 HH21 ARG A 84 28.992 -2.212 -13.401 1.00 53.35 H new ATOM 0 HH22 ARG A 84 30.570 -1.812 -14.087 1.00 53.35 H new ATOM 1246 N THR A 85 29.836 -4.074 -9.297 1.00 43.20 N ATOM 1247 CA THR A 85 28.958 -2.970 -8.930 1.00 31.22 C ATOM 1248 C THR A 85 28.093 -2.540 -10.109 1.00 12.30 C ATOM 1249 O THR A 85 28.580 -2.399 -11.230 1.00 31.10 O ATOM 1250 CB THR A 85 29.762 -1.757 -8.427 1.00 21.44 C ATOM 1251 OG1 THR A 85 28.959 -0.573 -8.497 1.00 54.14 O ATOM 1252 CG2 THR A 85 31.027 -1.566 -9.250 1.00 73.22 C ATOM 0 H THR A 85 30.342 -3.937 -10.172 1.00 43.20 H new ATOM 0 HA THR A 85 28.317 -3.330 -8.126 1.00 31.22 H new ATOM 0 HB THR A 85 30.046 -1.943 -7.391 1.00 21.44 H new ATOM 0 HG1 THR A 85 29.477 0.193 -8.174 1.00 54.14 H new ATOM 0 HG21 THR A 85 31.578 -0.703 -8.876 1.00 73.22 H new ATOM 0 HG22 THR A 85 31.650 -2.457 -9.171 1.00 73.22 H new ATOM 0 HG23 THR A 85 30.760 -1.401 -10.294 1.00 73.22 H new ATOM 1260 N GLY A 86 26.806 -2.329 -9.848 1.00 31.13 N ATOM 1261 CA GLY A 86 25.895 -1.916 -10.897 1.00 60.32 C ATOM 1262 C GLY A 86 25.259 -0.568 -10.617 1.00 64.22 C ATOM 1263 O GLY A 86 24.921 -0.259 -9.473 1.00 52.30 O ATOM 0 H GLY A 86 26.379 -2.437 -8.928 1.00 31.13 H new ATOM 0 HA2 GLY A 86 26.433 -1.870 -11.844 1.00 60.32 H new ATOM 0 HA3 GLY A 86 25.113 -2.667 -11.011 1.00 60.32 H new ATOM 1267 N THR A 87 25.097 0.238 -11.662 1.00 71.12 N ATOM 1268 CA THR A 87 24.501 1.560 -11.522 1.00 32.43 C ATOM 1269 C THR A 87 22.990 1.508 -11.724 1.00 33.41 C ATOM 1270 O THR A 87 22.491 0.730 -12.538 1.00 14.30 O ATOM 1271 CB THR A 87 25.108 2.559 -12.525 1.00 34.22 C ATOM 1272 OG1 THR A 87 26.453 2.183 -12.839 1.00 15.04 O ATOM 1273 CG2 THR A 87 25.089 3.972 -11.961 1.00 24.12 C ATOM 0 H THR A 87 25.371 -0.002 -12.615 1.00 71.12 H new ATOM 0 HA THR A 87 24.717 1.898 -10.508 1.00 32.43 H new ATOM 0 HB THR A 87 24.505 2.539 -13.433 1.00 34.22 H new ATOM 0 HG1 THR A 87 26.831 2.822 -13.478 1.00 15.04 H new ATOM 0 HG21 THR A 87 25.523 4.659 -12.687 1.00 24.12 H new ATOM 0 HG22 THR A 87 24.061 4.266 -11.752 1.00 24.12 H new ATOM 0 HG23 THR A 87 25.670 4.004 -11.039 1.00 24.12 H new ATOM 1281 N LEU A 88 22.269 2.337 -10.980 1.00 4.41 N ATOM 1282 CA LEU A 88 20.814 2.386 -11.078 1.00 64.23 C ATOM 1283 C LEU A 88 20.377 3.296 -12.221 1.00 13.44 C ATOM 1284 O LEU A 88 20.989 4.334 -12.470 1.00 1.23 O ATOM 1285 CB LEU A 88 20.210 2.874 -9.760 1.00 22.10 C ATOM 1286 CG LEU A 88 18.684 2.854 -9.674 1.00 12.11 C ATOM 1287 CD1 LEU A 88 18.174 1.425 -9.567 1.00 3.44 C ATOM 1288 CD2 LEU A 88 18.206 3.682 -8.490 1.00 44.24 C ATOM 0 H LEU A 88 22.668 2.986 -10.301 1.00 4.41 H new ATOM 0 HA LEU A 88 20.453 1.378 -11.283 1.00 64.23 H new ATOM 0 HB2 LEU A 88 20.608 2.260 -8.952 1.00 22.10 H new ATOM 0 HB3 LEU A 88 20.551 3.894 -9.583 1.00 22.10 H new ATOM 0 HG LEU A 88 18.282 3.294 -10.586 1.00 12.11 H new ATOM 0 HD11 LEU A 88 17.086 1.431 -9.507 1.00 3.44 H new ATOM 0 HD12 LEU A 88 18.486 0.861 -10.446 1.00 3.44 H new ATOM 0 HD13 LEU A 88 18.585 0.958 -8.672 1.00 3.44 H new ATOM 0 HD21 LEU A 88 17.117 3.657 -8.444 1.00 44.24 H new ATOM 0 HD22 LEU A 88 18.618 3.271 -7.568 1.00 44.24 H new ATOM 0 HD23 LEU A 88 18.540 4.713 -8.608 1.00 44.24 H new ATOM 1300 N GLN A 89 19.310 2.902 -12.909 1.00 71.52 N ATOM 1301 CA GLN A 89 18.788 3.682 -14.024 1.00 44.25 C ATOM 1302 C GLN A 89 17.491 3.080 -14.552 1.00 62.10 C ATOM 1303 O GLN A 89 16.576 3.802 -14.950 1.00 72.34 O ATOM 1304 CB GLN A 89 19.824 3.761 -15.147 1.00 70.54 C ATOM 1305 CG GLN A 89 20.123 2.417 -15.794 1.00 54.31 C ATOM 1306 CD GLN A 89 21.501 2.364 -16.421 1.00 74.54 C ATOM 1307 OE1 GLN A 89 21.547 2.226 -17.742 1.00 3.41 O flip ATOM 1308 NE2 GLN A 89 22.514 2.445 -15.727 1.00 3.31 N flip ATOM 0 H GLN A 89 18.790 2.047 -12.713 1.00 71.52 H new ATOM 0 HA GLN A 89 18.577 4.688 -13.663 1.00 44.25 H new ATOM 0 HB2 GLN A 89 19.467 4.452 -15.911 1.00 70.54 H new ATOM 0 HB3 GLN A 89 20.749 4.177 -14.748 1.00 70.54 H new ATOM 0 HG2 GLN A 89 20.039 1.631 -15.044 1.00 54.31 H new ATOM 0 HG3 GLN A 89 19.373 2.211 -16.557 1.00 54.31 H new ATOM 0 HE21 GLN A 89 22.432 2.550 -14.716 1.00 3.31 H new ATOM 0 HE22 GLN A 89 23.435 2.407 -16.163 1.00 3.31 H new ATOM 1317 N LYS A 90 17.418 1.754 -14.553 1.00 4.34 N ATOM 1318 CA LYS A 90 16.233 1.052 -15.032 1.00 74.11 C ATOM 1319 C LYS A 90 15.088 1.174 -14.031 1.00 13.11 C ATOM 1320 O LYS A 90 15.239 0.837 -12.856 1.00 40.23 O ATOM 1321 CB LYS A 90 16.553 -0.423 -15.279 1.00 2.35 C ATOM 1322 CG LYS A 90 16.778 -0.760 -16.743 1.00 33.54 C ATOM 1323 CD LYS A 90 15.522 -0.528 -17.568 1.00 4.14 C ATOM 1324 CE LYS A 90 15.686 -1.043 -18.988 1.00 63.23 C ATOM 1325 NZ LYS A 90 16.226 0.003 -19.900 1.00 45.04 N ATOM 0 H LYS A 90 18.167 1.143 -14.227 1.00 4.34 H new ATOM 0 HA LYS A 90 15.923 1.512 -15.971 1.00 74.11 H new ATOM 0 HB2 LYS A 90 17.444 -0.693 -14.712 1.00 2.35 H new ATOM 0 HB3 LYS A 90 15.735 -1.033 -14.896 1.00 2.35 H new ATOM 0 HG2 LYS A 90 17.591 -0.150 -17.137 1.00 33.54 H new ATOM 0 HG3 LYS A 90 17.087 -1.801 -16.834 1.00 33.54 H new ATOM 0 HD2 LYS A 90 14.677 -1.027 -17.094 1.00 4.14 H new ATOM 0 HD3 LYS A 90 15.292 0.537 -17.590 1.00 4.14 H new ATOM 0 HE2 LYS A 90 16.355 -1.904 -18.987 1.00 63.23 H new ATOM 0 HE3 LYS A 90 14.722 -1.388 -19.362 1.00 63.23 H new ATOM 0 HZ1 LYS A 90 16.482 -0.429 -20.811 1.00 45.04 H new ATOM 0 HZ2 LYS A 90 15.504 0.735 -20.055 1.00 45.04 H new ATOM 0 HZ3 LYS A 90 17.070 0.434 -19.472 1.00 45.04 H new ATOM 1339 N ALA A 91 13.943 1.656 -14.504 1.00 40.43 N ATOM 1340 CA ALA A 91 12.773 1.819 -13.652 1.00 10.24 C ATOM 1341 C ALA A 91 11.489 1.508 -14.414 1.00 41.02 C ATOM 1342 O ALA A 91 11.146 2.196 -15.377 1.00 64.33 O ATOM 1343 CB ALA A 91 12.724 3.230 -13.085 1.00 40.44 C ATOM 0 H ALA A 91 13.802 1.940 -15.473 1.00 40.43 H new ATOM 0 HA ALA A 91 12.855 1.111 -12.828 1.00 10.24 H new ATOM 0 HB1 ALA A 91 11.844 3.337 -12.450 1.00 40.44 H new ATOM 0 HB2 ALA A 91 13.622 3.417 -12.495 1.00 40.44 H new ATOM 0 HB3 ALA A 91 12.671 3.949 -13.903 1.00 40.44 H new ATOM 1349 N LEU A 92 10.785 0.469 -13.982 1.00 22.45 N ATOM 1350 CA LEU A 92 9.540 0.066 -14.626 1.00 23.31 C ATOM 1351 C LEU A 92 8.368 0.163 -13.653 1.00 62.32 C ATOM 1352 O LEU A 92 7.236 0.429 -14.055 1.00 11.33 O ATOM 1353 CB LEU A 92 9.657 -1.362 -15.159 1.00 71.13 C ATOM 1354 CG LEU A 92 9.970 -2.443 -14.125 1.00 12.42 C ATOM 1355 CD1 LEU A 92 8.942 -3.562 -14.195 1.00 74.42 C ATOM 1356 CD2 LEU A 92 11.374 -2.991 -14.332 1.00 31.41 C ATOM 0 H LEU A 92 11.055 -0.111 -13.187 1.00 22.45 H new ATOM 0 HA LEU A 92 9.355 0.744 -15.459 1.00 23.31 H new ATOM 0 HB2 LEU A 92 8.721 -1.621 -15.653 1.00 71.13 H new ATOM 0 HB3 LEU A 92 10.436 -1.381 -15.921 1.00 71.13 H new ATOM 0 HG LEU A 92 9.921 -1.994 -13.133 1.00 12.42 H new ATOM 0 HD11 LEU A 92 9.181 -4.323 -13.452 1.00 74.42 H new ATOM 0 HD12 LEU A 92 7.950 -3.158 -13.994 1.00 74.42 H new ATOM 0 HD13 LEU A 92 8.958 -4.009 -15.189 1.00 74.42 H new ATOM 0 HD21 LEU A 92 11.578 -3.759 -13.586 1.00 31.41 H new ATOM 0 HD22 LEU A 92 11.452 -3.423 -15.329 1.00 31.41 H new ATOM 0 HD23 LEU A 92 12.099 -2.183 -14.229 1.00 31.41 H new ATOM 1368 N PHE A 93 8.650 -0.053 -12.373 1.00 3.44 N ATOM 1369 CA PHE A 93 7.620 0.011 -11.342 1.00 44.11 C ATOM 1370 C PHE A 93 8.031 0.960 -10.221 1.00 1.15 C ATOM 1371 O PHE A 93 9.214 1.104 -9.917 1.00 51.14 O ATOM 1372 CB PHE A 93 7.351 -1.384 -10.773 1.00 31.03 C ATOM 1373 CG PHE A 93 5.988 -1.917 -11.110 1.00 44.23 C ATOM 1374 CD1 PHE A 93 5.699 -2.362 -12.389 1.00 24.42 C ATOM 1375 CD2 PHE A 93 4.993 -1.970 -10.147 1.00 1.23 C ATOM 1376 CE1 PHE A 93 4.446 -2.853 -12.703 1.00 1.34 C ATOM 1377 CE2 PHE A 93 3.738 -2.461 -10.453 1.00 70.14 C ATOM 1378 CZ PHE A 93 3.465 -2.902 -11.733 1.00 43.23 C ATOM 0 H PHE A 93 9.583 -0.274 -12.024 1.00 3.44 H new ATOM 0 HA PHE A 93 6.706 0.392 -11.799 1.00 44.11 H new ATOM 0 HB2 PHE A 93 8.106 -2.074 -11.151 1.00 31.03 H new ATOM 0 HB3 PHE A 93 7.462 -1.353 -9.689 1.00 31.03 H new ATOM 0 HD1 PHE A 93 6.463 -2.325 -13.151 1.00 24.42 H new ATOM 0 HD2 PHE A 93 5.201 -1.623 -9.145 1.00 1.23 H new ATOM 0 HE1 PHE A 93 4.235 -3.197 -13.705 1.00 1.34 H new ATOM 0 HE2 PHE A 93 2.972 -2.500 -9.693 1.00 70.14 H new ATOM 0 HZ PHE A 93 2.485 -3.285 -11.975 1.00 43.23 H new ATOM 1388 N ASN A 94 7.044 1.607 -9.609 1.00 75.40 N ATOM 1389 CA ASN A 94 7.301 2.542 -8.521 1.00 2.22 C ATOM 1390 C ASN A 94 8.109 1.879 -7.411 1.00 25.50 C ATOM 1391 O ASN A 94 7.589 1.061 -6.653 1.00 32.51 O ATOM 1392 CB ASN A 94 5.982 3.077 -7.957 1.00 62.40 C ATOM 1393 CG ASN A 94 4.972 1.974 -7.705 1.00 24.23 C ATOM 1394 OD1 ASN A 94 4.915 1.409 -6.613 1.00 13.31 O ATOM 1395 ND2 ASN A 94 4.172 1.663 -8.716 1.00 34.54 N ATOM 0 H ASN A 94 6.058 1.500 -9.849 1.00 75.40 H new ATOM 0 HA ASN A 94 7.882 3.373 -8.921 1.00 2.22 H new ATOM 0 HB2 ASN A 94 6.177 3.607 -7.025 1.00 62.40 H new ATOM 0 HB3 ASN A 94 5.559 3.801 -8.653 1.00 62.40 H new ATOM 0 HD21 ASN A 94 3.473 0.928 -8.606 1.00 34.54 H new ATOM 0 HD22 ASN A 94 4.256 2.159 -9.604 1.00 34.54 H new ATOM 1402 N VAL A 95 9.387 2.237 -7.322 1.00 2.10 N ATOM 1403 CA VAL A 95 10.268 1.676 -6.303 1.00 64.34 C ATOM 1404 C VAL A 95 11.525 2.524 -6.140 1.00 1.31 C ATOM 1405 O VAL A 95 12.130 2.951 -7.122 1.00 44.34 O ATOM 1406 CB VAL A 95 10.677 0.232 -6.647 1.00 43.34 C ATOM 1407 CG1 VAL A 95 11.563 0.207 -7.885 1.00 13.43 C ATOM 1408 CG2 VAL A 95 11.379 -0.418 -5.465 1.00 2.10 C ATOM 0 H VAL A 95 9.835 2.912 -7.942 1.00 2.10 H new ATOM 0 HA VAL A 95 9.710 1.673 -5.367 1.00 64.34 H new ATOM 0 HB VAL A 95 9.775 -0.341 -6.864 1.00 43.34 H new ATOM 0 HG11 VAL A 95 11.842 -0.822 -8.112 1.00 13.43 H new ATOM 0 HG12 VAL A 95 11.020 0.631 -8.730 1.00 13.43 H new ATOM 0 HG13 VAL A 95 12.463 0.794 -7.701 1.00 13.43 H new ATOM 0 HG21 VAL A 95 11.661 -1.438 -5.725 1.00 2.10 H new ATOM 0 HG22 VAL A 95 12.273 0.153 -5.214 1.00 2.10 H new ATOM 0 HG23 VAL A 95 10.707 -0.435 -4.607 1.00 2.10 H new ATOM 1418 N GLU A 96 11.914 2.762 -4.891 1.00 34.10 N ATOM 1419 CA GLU A 96 13.099 3.559 -4.598 1.00 72.45 C ATOM 1420 C GLU A 96 14.307 2.662 -4.337 1.00 10.12 C ATOM 1421 O GLU A 96 14.347 1.929 -3.349 1.00 72.33 O ATOM 1422 CB GLU A 96 12.849 4.461 -3.388 1.00 35.31 C ATOM 1423 CG GLU A 96 14.039 5.331 -3.022 1.00 13.22 C ATOM 1424 CD GLU A 96 13.706 6.811 -3.038 1.00 21.41 C ATOM 1425 OE1 GLU A 96 12.608 7.178 -2.571 1.00 74.10 O ATOM 1426 OE2 GLU A 96 14.545 7.602 -3.519 1.00 32.23 O ATOM 0 H GLU A 96 11.425 2.414 -4.066 1.00 34.10 H new ATOM 0 HA GLU A 96 13.311 4.181 -5.468 1.00 72.45 H new ATOM 0 HB2 GLU A 96 11.991 5.101 -3.594 1.00 35.31 H new ATOM 0 HB3 GLU A 96 12.586 3.841 -2.531 1.00 35.31 H new ATOM 0 HG2 GLU A 96 14.396 5.053 -2.030 1.00 13.22 H new ATOM 0 HG3 GLU A 96 14.854 5.138 -3.720 1.00 13.22 H new ATOM 1433 N CYS A 97 15.286 2.725 -5.232 1.00 61.54 N ATOM 1434 CA CYS A 97 16.495 1.920 -5.101 1.00 33.31 C ATOM 1435 C CYS A 97 17.723 2.807 -4.918 1.00 72.42 C ATOM 1436 O CYS A 97 17.711 3.982 -5.283 1.00 50.22 O ATOM 1437 CB CYS A 97 16.674 1.029 -6.331 1.00 72.04 C ATOM 1438 SG CYS A 97 15.873 -0.601 -6.192 1.00 54.03 S ATOM 0 H CYS A 97 15.266 3.325 -6.056 1.00 61.54 H new ATOM 0 HA CYS A 97 16.389 1.291 -4.217 1.00 33.31 H new ATOM 0 HB2 CYS A 97 16.272 1.546 -7.202 1.00 72.04 H new ATOM 0 HB3 CYS A 97 17.740 0.884 -6.509 1.00 72.04 H new ATOM 1444 N GLN A 98 18.781 2.234 -4.353 1.00 35.14 N ATOM 1445 CA GLN A 98 20.016 2.973 -4.121 1.00 2.23 C ATOM 1446 C GLN A 98 20.724 3.275 -5.438 1.00 32.35 C ATOM 1447 O GLN A 98 20.571 2.546 -6.417 1.00 14.42 O ATOM 1448 CB GLN A 98 20.944 2.180 -3.201 1.00 23.34 C ATOM 1449 CG GLN A 98 20.729 2.470 -1.723 1.00 43.11 C ATOM 1450 CD GLN A 98 20.963 1.254 -0.849 1.00 20.53 C ATOM 1451 OE1 GLN A 98 20.640 0.129 -1.232 1.00 34.00 O ATOM 1452 NE2 GLN A 98 21.527 1.473 0.332 1.00 60.22 N ATOM 0 H GLN A 98 18.808 1.261 -4.048 1.00 35.14 H new ATOM 0 HA GLN A 98 19.760 3.918 -3.641 1.00 2.23 H new ATOM 0 HB2 GLN A 98 20.795 1.115 -3.379 1.00 23.34 H new ATOM 0 HB3 GLN A 98 21.978 2.405 -3.460 1.00 23.34 H new ATOM 0 HG2 GLN A 98 21.401 3.270 -1.412 1.00 43.11 H new ATOM 0 HG3 GLN A 98 19.712 2.831 -1.572 1.00 43.11 H new ATOM 0 HE21 GLN A 98 21.779 2.422 0.609 1.00 60.22 H new ATOM 0 HE22 GLN A 98 21.709 0.692 0.963 1.00 60.22 H new ATOM 1461 N GLN A 99 21.500 4.355 -5.453 1.00 35.41 N ATOM 1462 CA GLN A 99 22.230 4.753 -6.650 1.00 73.03 C ATOM 1463 C GLN A 99 23.099 3.609 -7.164 1.00 63.33 C ATOM 1464 O GLN A 99 22.912 3.126 -8.281 1.00 11.21 O ATOM 1465 CB GLN A 99 23.099 5.978 -6.360 1.00 33.32 C ATOM 1466 CG GLN A 99 23.847 6.496 -7.577 1.00 5.32 C ATOM 1467 CD GLN A 99 23.075 7.563 -8.327 1.00 50.31 C ATOM 1468 OE1 GLN A 99 22.975 8.706 -7.878 1.00 22.54 O ATOM 1469 NE2 GLN A 99 22.523 7.197 -9.478 1.00 10.13 N ATOM 0 H GLN A 99 21.639 4.969 -4.650 1.00 35.41 H new ATOM 0 HA GLN A 99 21.502 5.007 -7.421 1.00 73.03 H new ATOM 0 HB2 GLN A 99 22.469 6.775 -5.965 1.00 33.32 H new ATOM 0 HB3 GLN A 99 23.819 5.726 -5.582 1.00 33.32 H new ATOM 0 HG2 GLN A 99 24.808 6.902 -7.262 1.00 5.32 H new ATOM 0 HG3 GLN A 99 24.058 5.665 -8.250 1.00 5.32 H new ATOM 0 HE21 GLN A 99 22.630 6.240 -9.813 1.00 10.13 H new ATOM 0 HE22 GLN A 99 21.992 7.873 -10.027 1.00 10.13 H new ATOM 1478 N THR A 100 24.050 3.181 -6.341 1.00 23.41 N ATOM 1479 CA THR A 100 24.950 2.096 -6.712 1.00 32.15 C ATOM 1480 C THR A 100 24.775 0.895 -5.789 1.00 14.30 C ATOM 1481 O THR A 100 24.446 1.048 -4.611 1.00 41.14 O ATOM 1482 CB THR A 100 26.422 2.547 -6.674 1.00 30.40 C ATOM 1483 OG1 THR A 100 26.510 3.952 -6.935 1.00 75.41 O ATOM 1484 CG2 THR A 100 27.250 1.784 -7.697 1.00 73.43 C ATOM 0 H THR A 100 24.217 3.569 -5.413 1.00 23.41 H new ATOM 0 HA THR A 100 24.692 1.808 -7.731 1.00 32.15 H new ATOM 0 HB THR A 100 26.818 2.336 -5.680 1.00 30.40 H new ATOM 0 HG1 THR A 100 27.449 4.232 -6.907 1.00 75.41 H new ATOM 0 HG21 THR A 100 28.286 2.120 -7.651 1.00 73.43 H new ATOM 0 HG22 THR A 100 27.205 0.717 -7.479 1.00 73.43 H new ATOM 0 HG23 THR A 100 26.853 1.967 -8.696 1.00 73.43 H new ATOM 1492 N VAL A 101 24.996 -0.299 -6.327 1.00 45.34 N ATOM 1493 CA VAL A 101 24.865 -1.525 -5.550 1.00 64.13 C ATOM 1494 C VAL A 101 25.877 -2.573 -6.002 1.00 72.13 C ATOM 1495 O VAL A 101 26.224 -2.648 -7.179 1.00 44.10 O ATOM 1496 CB VAL A 101 23.446 -2.113 -5.667 1.00 30.31 C ATOM 1497 CG1 VAL A 101 22.403 -1.061 -5.323 1.00 74.53 C ATOM 1498 CG2 VAL A 101 23.214 -2.671 -7.063 1.00 40.04 C ATOM 0 H VAL A 101 25.267 -0.444 -7.300 1.00 45.34 H new ATOM 0 HA VAL A 101 25.058 -1.264 -4.510 1.00 64.13 H new ATOM 0 HB VAL A 101 23.350 -2.932 -4.954 1.00 30.31 H new ATOM 0 HG11 VAL A 101 21.407 -1.494 -5.411 1.00 74.53 H new ATOM 0 HG12 VAL A 101 22.559 -0.714 -4.301 1.00 74.53 H new ATOM 0 HG13 VAL A 101 22.495 -0.219 -6.010 1.00 74.53 H new ATOM 0 HG21 VAL A 101 22.207 -3.082 -7.128 1.00 40.04 H new ATOM 0 HG22 VAL A 101 23.328 -1.874 -7.797 1.00 40.04 H new ATOM 0 HG23 VAL A 101 23.941 -3.458 -7.266 1.00 40.04 H new ATOM 1508 N SER A 102 26.344 -3.381 -5.056 1.00 23.21 N ATOM 1509 CA SER A 102 27.319 -4.424 -5.355 1.00 31.41 C ATOM 1510 C SER A 102 26.624 -5.755 -5.627 1.00 63.41 C ATOM 1511 O SER A 102 25.486 -5.970 -5.211 1.00 33.22 O ATOM 1512 CB SER A 102 28.304 -4.578 -4.196 1.00 25.22 C ATOM 1513 OG SER A 102 27.626 -4.639 -2.954 1.00 11.41 O ATOM 0 H SER A 102 26.063 -3.334 -4.076 1.00 23.21 H new ATOM 0 HA SER A 102 27.866 -4.130 -6.251 1.00 31.41 H new ATOM 0 HB2 SER A 102 28.896 -5.483 -4.335 1.00 25.22 H new ATOM 0 HB3 SER A 102 29.000 -3.739 -4.193 1.00 25.22 H new ATOM 0 HG SER A 102 28.278 -4.739 -2.230 1.00 11.41 H new ATOM 1519 N VAL A 103 27.319 -6.645 -6.328 1.00 73.53 N ATOM 1520 CA VAL A 103 26.771 -7.956 -6.656 1.00 71.32 C ATOM 1521 C VAL A 103 27.802 -9.055 -6.431 1.00 30.33 C ATOM 1522 O VAL A 103 28.998 -8.786 -6.310 1.00 44.01 O ATOM 1523 CB VAL A 103 26.286 -8.014 -8.117 1.00 40.43 C ATOM 1524 CG1 VAL A 103 25.352 -6.851 -8.416 1.00 4.11 C ATOM 1525 CG2 VAL A 103 27.472 -8.015 -9.070 1.00 50.04 C ATOM 0 H VAL A 103 28.262 -6.482 -6.680 1.00 73.53 H new ATOM 0 HA VAL A 103 25.921 -8.117 -5.993 1.00 71.32 H new ATOM 0 HB VAL A 103 25.731 -8.941 -8.262 1.00 40.43 H new ATOM 0 HG11 VAL A 103 25.020 -6.909 -9.452 1.00 4.11 H new ATOM 0 HG12 VAL A 103 24.487 -6.899 -7.754 1.00 4.11 H new ATOM 0 HG13 VAL A 103 25.879 -5.911 -8.256 1.00 4.11 H new ATOM 0 HG21 VAL A 103 27.113 -8.056 -10.098 1.00 50.04 H new ATOM 0 HG22 VAL A 103 28.055 -7.106 -8.926 1.00 50.04 H new ATOM 0 HG23 VAL A 103 28.099 -8.884 -8.870 1.00 50.04 H new ATOM 1535 N THR A 104 27.334 -10.298 -6.375 1.00 71.32 N ATOM 1536 CA THR A 104 28.215 -11.440 -6.164 1.00 64.31 C ATOM 1537 C THR A 104 27.819 -12.613 -7.054 1.00 15.44 C ATOM 1538 O THR A 104 26.637 -12.832 -7.320 1.00 23.12 O ATOM 1539 CB THR A 104 28.200 -11.897 -4.694 1.00 23.35 C ATOM 1540 OG1 THR A 104 27.809 -10.810 -3.847 1.00 31.03 O ATOM 1541 CG2 THR A 104 29.569 -12.409 -4.272 1.00 73.01 C ATOM 0 H THR A 104 26.348 -10.540 -6.473 1.00 71.32 H new ATOM 0 HA THR A 104 29.222 -11.114 -6.425 1.00 64.31 H new ATOM 0 HB THR A 104 27.480 -12.710 -4.597 1.00 23.35 H new ATOM 0 HG1 THR A 104 27.800 -11.109 -2.914 1.00 31.03 H new ATOM 0 HG21 THR A 104 29.533 -12.726 -3.230 1.00 73.01 H new ATOM 0 HG22 THR A 104 29.850 -13.255 -4.899 1.00 73.01 H new ATOM 0 HG23 THR A 104 30.305 -11.613 -4.384 1.00 73.01 H new ATOM 1549 N LYS A 105 28.814 -13.365 -7.510 1.00 23.45 N ATOM 1550 CA LYS A 105 28.570 -14.519 -8.369 1.00 1.34 C ATOM 1551 C LYS A 105 29.643 -15.584 -8.167 1.00 0.15 C ATOM 1552 O LYS A 105 30.840 -15.297 -8.146 1.00 62.40 O ATOM 1553 CB LYS A 105 28.533 -14.089 -9.836 1.00 62.24 C ATOM 1554 CG LYS A 105 27.658 -14.972 -10.707 1.00 20.34 C ATOM 1555 CD LYS A 105 27.820 -14.641 -12.181 1.00 2.13 C ATOM 1556 CE LYS A 105 28.526 -15.761 -12.929 1.00 62.21 C ATOM 1557 NZ LYS A 105 29.747 -16.224 -12.214 1.00 53.33 N ATOM 0 H LYS A 105 29.798 -13.197 -7.300 1.00 23.45 H new ATOM 0 HA LYS A 105 27.604 -14.945 -8.097 1.00 1.34 H new ATOM 0 HB2 LYS A 105 28.172 -13.062 -9.896 1.00 62.24 H new ATOM 0 HB3 LYS A 105 29.548 -14.094 -10.233 1.00 62.24 H new ATOM 0 HG2 LYS A 105 27.914 -16.018 -10.538 1.00 20.34 H new ATOM 0 HG3 LYS A 105 26.614 -14.849 -10.418 1.00 20.34 H new ATOM 0 HD2 LYS A 105 26.840 -14.466 -12.626 1.00 2.13 H new ATOM 0 HD3 LYS A 105 28.388 -13.717 -12.287 1.00 2.13 H new ATOM 0 HE2 LYS A 105 27.841 -16.599 -13.058 1.00 62.21 H new ATOM 0 HE3 LYS A 105 28.799 -15.416 -13.926 1.00 62.21 H new ATOM 0 HZ1 LYS A 105 30.545 -16.262 -12.879 1.00 53.33 H new ATOM 0 HZ2 LYS A 105 29.970 -15.562 -11.443 1.00 53.33 H new ATOM 0 HZ3 LYS A 105 29.580 -17.171 -11.819 1.00 53.33 H new ATOM 1571 N PRO A 106 29.207 -16.843 -8.014 1.00 61.20 N ATOM 1572 CA PRO A 106 30.114 -17.977 -7.813 1.00 4.41 C ATOM 1573 C PRO A 106 30.920 -18.303 -9.066 1.00 1.22 C ATOM 1574 O PRO A 106 30.394 -18.871 -10.024 1.00 43.44 O ATOM 1575 CB PRO A 106 29.169 -19.131 -7.469 1.00 4.43 C ATOM 1576 CG PRO A 106 27.871 -18.758 -8.096 1.00 71.10 C ATOM 1577 CD PRO A 106 27.794 -17.257 -8.027 1.00 12.10 C ATOM 0 HA PRO A 106 30.857 -17.773 -7.042 1.00 4.41 H new ATOM 0 HB2 PRO A 106 29.541 -20.077 -7.862 1.00 4.43 H new ATOM 0 HB3 PRO A 106 29.067 -19.251 -6.390 1.00 4.43 H new ATOM 0 HG2 PRO A 106 27.823 -19.104 -9.128 1.00 71.10 H new ATOM 0 HG3 PRO A 106 27.036 -19.216 -7.567 1.00 71.10 H new ATOM 0 HD2 PRO A 106 27.262 -16.842 -8.883 1.00 12.10 H new ATOM 0 HD3 PRO A 106 27.269 -16.922 -7.132 1.00 12.10 H new ATOM 1585 N CYS A 107 32.199 -17.942 -9.053 1.00 34.43 N ATOM 1586 CA CYS A 107 33.079 -18.198 -10.187 1.00 71.03 C ATOM 1587 C CYS A 107 34.504 -18.471 -9.719 1.00 25.23 C ATOM 1588 O CYS A 107 34.972 -17.888 -8.741 1.00 33.30 O ATOM 1589 CB CYS A 107 33.064 -17.006 -11.147 1.00 63.10 C ATOM 1590 SG CYS A 107 34.123 -17.221 -12.613 1.00 63.50 S ATOM 0 H CYS A 107 32.649 -17.471 -8.269 1.00 34.43 H new ATOM 0 HA CYS A 107 32.713 -19.082 -10.709 1.00 71.03 H new ATOM 0 HB2 CYS A 107 32.039 -16.829 -11.475 1.00 63.10 H new ATOM 0 HB3 CYS A 107 33.384 -16.115 -10.608 1.00 63.10 H new ATOM 1596 N THR A 108 35.193 -19.362 -10.427 1.00 35.41 N ATOM 1597 CA THR A 108 36.565 -19.715 -10.085 1.00 41.21 C ATOM 1598 C THR A 108 37.444 -19.772 -11.330 1.00 10.14 C ATOM 1599 O THR A 108 37.174 -20.536 -12.257 1.00 71.20 O ATOM 1600 CB THR A 108 36.633 -21.070 -9.358 1.00 31.41 C ATOM 1601 OG1 THR A 108 37.985 -21.540 -9.322 1.00 61.24 O ATOM 1602 CG2 THR A 108 35.752 -22.100 -10.051 1.00 4.34 C ATOM 0 H THR A 108 34.822 -19.852 -11.241 1.00 35.41 H new ATOM 0 HA THR A 108 36.935 -18.936 -9.418 1.00 41.21 H new ATOM 0 HB THR A 108 36.270 -20.929 -8.340 1.00 31.41 H new ATOM 0 HG1 THR A 108 38.019 -22.402 -8.856 1.00 61.24 H new ATOM 0 HG21 THR A 108 35.816 -23.050 -9.520 1.00 4.34 H new ATOM 0 HG22 THR A 108 34.719 -21.753 -10.052 1.00 4.34 H new ATOM 0 HG23 THR A 108 36.090 -22.235 -11.078 1.00 4.34 H new ATOM 1610 N THR A 109 38.497 -18.962 -11.342 1.00 54.33 N ATOM 1611 CA THR A 109 39.416 -18.922 -12.474 1.00 25.12 C ATOM 1612 C THR A 109 39.991 -20.303 -12.764 1.00 54.15 C ATOM 1613 O THR A 109 39.921 -21.204 -11.930 1.00 4.23 O ATOM 1614 CB THR A 109 40.574 -17.938 -12.220 1.00 60.23 C ATOM 1615 OG1 THR A 109 40.602 -17.559 -10.841 1.00 3.20 O ATOM 1616 CG2 THR A 109 40.431 -16.697 -13.090 1.00 32.52 C ATOM 0 H THR A 109 38.735 -18.325 -10.582 1.00 54.33 H new ATOM 0 HA THR A 109 38.843 -18.583 -13.337 1.00 25.12 H new ATOM 0 HB THR A 109 41.508 -18.437 -12.478 1.00 60.23 H new ATOM 0 HG1 THR A 109 40.152 -16.695 -10.730 1.00 3.20 H new ATOM 0 HG21 THR A 109 41.260 -16.017 -12.893 1.00 32.52 H new ATOM 0 HG22 THR A 109 40.441 -16.986 -14.141 1.00 32.52 H new ATOM 0 HG23 THR A 109 39.490 -16.198 -12.860 1.00 32.52 H new ATOM 1624 N LYS A 110 40.561 -20.463 -13.954 1.00 11.21 N ATOM 1625 CA LYS A 110 41.150 -21.734 -14.356 1.00 44.12 C ATOM 1626 C LYS A 110 42.668 -21.620 -14.461 1.00 71.52 C ATOM 1627 O LYS A 110 43.227 -20.529 -14.359 1.00 73.10 O ATOM 1628 CB LYS A 110 40.568 -22.190 -15.696 1.00 45.55 C ATOM 1629 CG LYS A 110 40.892 -21.254 -16.848 1.00 53.15 C ATOM 1630 CD LYS A 110 39.816 -21.298 -17.921 1.00 31.42 C ATOM 1631 CE LYS A 110 39.135 -19.948 -18.085 1.00 5.10 C ATOM 1632 NZ LYS A 110 40.056 -18.929 -18.659 1.00 54.31 N ATOM 0 H LYS A 110 40.627 -19.727 -14.657 1.00 11.21 H new ATOM 0 HA LYS A 110 40.910 -22.475 -13.593 1.00 44.12 H new ATOM 0 HB2 LYS A 110 40.948 -23.185 -15.929 1.00 45.55 H new ATOM 0 HB3 LYS A 110 39.486 -22.277 -15.602 1.00 45.55 H new ATOM 0 HG2 LYS A 110 40.992 -20.235 -16.473 1.00 53.15 H new ATOM 0 HG3 LYS A 110 41.853 -21.530 -17.283 1.00 53.15 H new ATOM 0 HD2 LYS A 110 40.259 -21.600 -18.870 1.00 31.42 H new ATOM 0 HD3 LYS A 110 39.073 -22.052 -17.662 1.00 31.42 H new ATOM 0 HE2 LYS A 110 38.265 -20.056 -18.732 1.00 5.10 H new ATOM 0 HE3 LYS A 110 38.771 -19.605 -17.117 1.00 5.10 H new ATOM 0 HZ1 LYS A 110 39.511 -18.090 -18.944 1.00 54.31 H new ATOM 0 HZ2 LYS A 110 40.762 -18.658 -17.945 1.00 54.31 H new ATOM 0 HZ3 LYS A 110 40.539 -19.327 -19.490 1.00 54.31 H new ATOM 1646 N VAL A 111 43.328 -22.756 -14.666 1.00 53.40 N ATOM 1647 CA VAL A 111 44.782 -22.784 -14.788 1.00 14.22 C ATOM 1648 C VAL A 111 45.444 -22.065 -13.618 1.00 40.23 C ATOM 1649 O VAL A 111 45.829 -20.901 -13.728 1.00 21.14 O ATOM 1650 CB VAL A 111 45.246 -22.135 -16.104 1.00 64.31 C ATOM 1651 CG1 VAL A 111 46.765 -22.129 -16.189 1.00 72.34 C ATOM 1652 CG2 VAL A 111 44.640 -22.857 -17.298 1.00 24.20 C ATOM 0 H VAL A 111 42.880 -23.668 -14.751 1.00 53.40 H new ATOM 0 HA VAL A 111 45.081 -23.832 -14.783 1.00 14.22 H new ATOM 0 HB VAL A 111 44.900 -21.101 -16.121 1.00 64.31 H new ATOM 0 HG11 VAL A 111 47.075 -21.666 -17.126 1.00 72.34 H new ATOM 0 HG12 VAL A 111 47.174 -21.563 -15.352 1.00 72.34 H new ATOM 0 HG13 VAL A 111 47.136 -23.153 -16.150 1.00 72.34 H new ATOM 0 HG21 VAL A 111 44.979 -22.384 -18.220 1.00 24.20 H new ATOM 0 HG22 VAL A 111 44.953 -23.901 -17.289 1.00 24.20 H new ATOM 0 HG23 VAL A 111 43.553 -22.804 -17.242 1.00 24.20 H new ATOM 1662 N LYS A 112 45.574 -22.767 -12.498 1.00 0.55 N ATOM 1663 CA LYS A 112 46.193 -22.198 -11.306 1.00 13.11 C ATOM 1664 C LYS A 112 47.687 -21.984 -11.517 1.00 72.11 C ATOM 1665 O LYS A 112 48.150 -20.852 -11.645 1.00 44.12 O ATOM 1666 CB LYS A 112 45.964 -23.113 -10.101 1.00 14.32 C ATOM 1667 CG LYS A 112 44.502 -23.248 -9.708 1.00 61.20 C ATOM 1668 CD LYS A 112 44.281 -24.430 -8.779 1.00 31.54 C ATOM 1669 CE LYS A 112 44.501 -25.753 -9.497 1.00 34.23 C ATOM 1670 NZ LYS A 112 43.430 -26.738 -9.184 1.00 73.50 N ATOM 0 H LYS A 112 45.259 -23.731 -12.390 1.00 0.55 H new ATOM 0 HA LYS A 112 45.729 -21.230 -11.114 1.00 13.11 H new ATOM 0 HB2 LYS A 112 46.364 -24.102 -10.325 1.00 14.32 H new ATOM 0 HB3 LYS A 112 46.526 -22.727 -9.250 1.00 14.32 H new ATOM 0 HG2 LYS A 112 44.170 -22.332 -9.219 1.00 61.20 H new ATOM 0 HG3 LYS A 112 43.893 -23.369 -10.604 1.00 61.20 H new ATOM 0 HD2 LYS A 112 44.961 -24.358 -7.930 1.00 31.54 H new ATOM 0 HD3 LYS A 112 43.267 -24.396 -8.380 1.00 31.54 H new ATOM 0 HE2 LYS A 112 44.533 -25.581 -10.573 1.00 34.23 H new ATOM 0 HE3 LYS A 112 45.469 -26.165 -9.211 1.00 34.23 H new ATOM 0 HZ1 LYS A 112 43.616 -27.626 -9.692 1.00 73.50 H new ATOM 0 HZ2 LYS A 112 43.415 -26.921 -8.160 1.00 73.50 H new ATOM 0 HZ3 LYS A 112 42.509 -26.356 -9.480 1.00 73.50 H new ATOM 1684 N ASN A 113 48.438 -23.079 -11.555 1.00 33.25 N ATOM 1685 CA ASN A 113 49.881 -23.011 -11.753 1.00 72.13 C ATOM 1686 C ASN A 113 50.486 -24.410 -11.838 1.00 51.35 C ATOM 1687 O ASN A 113 49.781 -25.412 -11.712 1.00 24.23 O ATOM 1688 CB ASN A 113 50.537 -22.229 -10.613 1.00 34.44 C ATOM 1689 CG ASN A 113 49.967 -22.597 -9.256 1.00 30.11 C ATOM 1690 OD1 ASN A 113 48.867 -22.177 -8.899 1.00 15.41 O ATOM 1691 ND2 ASN A 113 50.716 -23.385 -8.494 1.00 34.54 N ATOM 0 H ASN A 113 48.071 -24.025 -11.451 1.00 33.25 H new ATOM 0 HA ASN A 113 50.069 -22.495 -12.695 1.00 72.13 H new ATOM 0 HB2 ASN A 113 51.610 -22.419 -10.617 1.00 34.44 H new ATOM 0 HB3 ASN A 113 50.401 -21.161 -10.784 1.00 34.44 H new ATOM 0 HD21 ASN A 113 50.385 -23.666 -7.571 1.00 34.54 H new ATOM 0 HD22 ASN A 113 51.622 -23.709 -8.832 1.00 34.54 H new ATOM 1698 N LYS A 114 51.795 -24.470 -12.054 1.00 24.33 N ATOM 1699 CA LYS A 114 52.497 -25.745 -12.153 1.00 23.11 C ATOM 1700 C LYS A 114 53.000 -26.198 -10.787 1.00 21.13 C ATOM 1701 O LYS A 114 53.126 -25.408 -9.851 1.00 41.01 O ATOM 1702 CB LYS A 114 53.672 -25.628 -13.128 1.00 10.02 C ATOM 1703 CG LYS A 114 53.356 -26.137 -14.523 1.00 40.15 C ATOM 1704 CD LYS A 114 53.677 -25.094 -15.582 1.00 51.22 C ATOM 1705 CE LYS A 114 53.151 -25.507 -16.949 1.00 34.20 C ATOM 1706 NZ LYS A 114 53.513 -24.521 -18.004 1.00 15.22 N ATOM 0 H LYS A 114 52.392 -23.650 -12.164 1.00 24.33 H new ATOM 0 HA LYS A 114 51.794 -26.490 -12.526 1.00 23.11 H new ATOM 0 HB2 LYS A 114 53.978 -24.584 -13.192 1.00 10.02 H new ATOM 0 HB3 LYS A 114 54.520 -26.185 -12.730 1.00 10.02 H new ATOM 0 HG2 LYS A 114 53.928 -27.044 -14.719 1.00 40.15 H new ATOM 0 HG3 LYS A 114 52.301 -26.406 -14.583 1.00 40.15 H new ATOM 0 HD2 LYS A 114 53.239 -24.137 -15.296 1.00 51.22 H new ATOM 0 HD3 LYS A 114 54.756 -24.948 -15.635 1.00 51.22 H new ATOM 0 HE2 LYS A 114 53.554 -26.485 -17.213 1.00 34.20 H new ATOM 0 HE3 LYS A 114 52.067 -25.610 -16.905 1.00 34.20 H new ATOM 0 HZ1 LYS A 114 53.136 -24.839 -18.920 1.00 15.22 H new ATOM 0 HZ2 LYS A 114 53.108 -23.593 -17.766 1.00 15.22 H new ATOM 0 HZ3 LYS A 114 54.548 -24.441 -18.064 1.00 15.22 H new ATOM 1720 N PRO A 115 53.293 -27.502 -10.667 1.00 4.23 N ATOM 1721 CA PRO A 115 53.789 -28.089 -9.418 1.00 1.14 C ATOM 1722 C PRO A 115 55.208 -27.638 -9.088 1.00 13.43 C ATOM 1723 O PRO A 115 55.407 -26.669 -8.355 1.00 44.42 O ATOM 1724 CB PRO A 115 53.759 -29.594 -9.699 1.00 1.24 C ATOM 1725 CG PRO A 115 53.870 -29.707 -11.179 1.00 42.34 C ATOM 1726 CD PRO A 115 53.167 -28.502 -11.740 1.00 11.43 C ATOM 0 HA PRO A 115 53.189 -27.788 -8.559 1.00 1.14 H new ATOM 0 HB2 PRO A 115 54.582 -30.106 -9.200 1.00 1.24 H new ATOM 0 HB3 PRO A 115 52.836 -30.046 -9.336 1.00 1.24 H new ATOM 0 HG2 PRO A 115 54.914 -29.730 -11.491 1.00 42.34 H new ATOM 0 HG3 PRO A 115 53.410 -30.629 -11.536 1.00 42.34 H new ATOM 0 HD2 PRO A 115 53.632 -28.160 -12.664 1.00 11.43 H new ATOM 0 HD3 PRO A 115 52.123 -28.716 -11.969 1.00 11.43 H new ATOM 1734 N LYS A 116 56.191 -28.345 -9.634 1.00 3.20 N ATOM 1735 CA LYS A 116 57.592 -28.016 -9.399 1.00 61.54 C ATOM 1736 C LYS A 116 57.881 -27.902 -7.906 1.00 32.12 C ATOM 1737 O LYS A 116 57.048 -28.257 -7.074 1.00 11.43 O ATOM 1738 CB LYS A 116 57.955 -26.707 -10.101 1.00 12.52 C ATOM 1739 CG LYS A 116 57.459 -26.627 -11.535 1.00 72.22 C ATOM 1740 CD LYS A 116 58.509 -26.027 -12.456 1.00 53.11 C ATOM 1741 CE LYS A 116 59.321 -27.107 -13.155 1.00 34.24 C ATOM 1742 NZ LYS A 116 60.340 -27.707 -12.250 1.00 51.23 N ATOM 0 H LYS A 116 56.043 -29.150 -10.243 1.00 3.20 H new ATOM 0 HA LYS A 116 58.202 -28.821 -9.809 1.00 61.54 H new ATOM 0 HB2 LYS A 116 57.539 -25.874 -9.535 1.00 12.52 H new ATOM 0 HB3 LYS A 116 59.039 -26.589 -10.093 1.00 12.52 H new ATOM 0 HG2 LYS A 116 57.194 -27.624 -11.885 1.00 72.22 H new ATOM 0 HG3 LYS A 116 56.552 -26.024 -11.574 1.00 72.22 H new ATOM 0 HD2 LYS A 116 58.023 -25.396 -13.201 1.00 53.11 H new ATOM 0 HD3 LYS A 116 59.175 -25.385 -11.880 1.00 53.11 H new ATOM 0 HE2 LYS A 116 58.652 -27.888 -13.517 1.00 34.24 H new ATOM 0 HE3 LYS A 116 59.816 -26.682 -14.028 1.00 34.24 H new ATOM 0 HZ1 LYS A 116 60.872 -28.438 -12.763 1.00 51.23 H new ATOM 0 HZ2 LYS A 116 60.994 -26.967 -11.925 1.00 51.23 H new ATOM 0 HZ3 LYS A 116 59.866 -28.135 -11.429 1.00 51.23 H new ATOM 1756 N GLY A 117 59.067 -27.401 -7.573 1.00 23.30 N ATOM 1757 CA GLY A 117 59.444 -27.248 -6.181 1.00 2.34 C ATOM 1758 C GLY A 117 59.636 -28.579 -5.481 1.00 3.32 C ATOM 1759 O GLY A 117 58.732 -29.412 -5.456 1.00 73.35 O ATOM 0 H GLY A 117 59.773 -27.098 -8.244 1.00 23.30 H new ATOM 0 HA2 GLY A 117 60.368 -26.672 -6.119 1.00 2.34 H new ATOM 0 HA3 GLY A 117 58.676 -26.675 -5.661 1.00 2.34 H new ATOM 1763 N LYS A 118 60.821 -28.781 -4.913 1.00 2.44 N ATOM 1764 CA LYS A 118 61.132 -30.019 -4.211 1.00 35.35 C ATOM 1765 C LYS A 118 61.490 -29.745 -2.754 1.00 50.23 C ATOM 1766 O LYS A 118 61.557 -28.591 -2.327 1.00 70.12 O ATOM 1767 CB LYS A 118 62.286 -30.747 -4.904 1.00 10.34 C ATOM 1768 CG LYS A 118 61.886 -32.076 -5.520 1.00 42.45 C ATOM 1769 CD LYS A 118 61.662 -31.950 -7.018 1.00 15.31 C ATOM 1770 CE LYS A 118 60.674 -32.989 -7.523 1.00 35.44 C ATOM 1771 NZ LYS A 118 60.734 -33.139 -9.004 1.00 11.13 N ATOM 0 H LYS A 118 61.582 -28.102 -4.926 1.00 2.44 H new ATOM 0 HA LYS A 118 60.245 -30.652 -4.235 1.00 35.35 H new ATOM 0 HB2 LYS A 118 62.694 -30.103 -5.683 1.00 10.34 H new ATOM 0 HB3 LYS A 118 63.083 -30.917 -4.181 1.00 10.34 H new ATOM 0 HG2 LYS A 118 62.663 -32.816 -5.328 1.00 42.45 H new ATOM 0 HG3 LYS A 118 60.975 -32.440 -5.044 1.00 42.45 H new ATOM 0 HD2 LYS A 118 61.291 -30.951 -7.249 1.00 15.31 H new ATOM 0 HD3 LYS A 118 62.612 -32.066 -7.540 1.00 15.31 H new ATOM 0 HE2 LYS A 118 60.885 -33.949 -7.052 1.00 35.44 H new ATOM 0 HE3 LYS A 118 59.664 -32.704 -7.228 1.00 35.44 H new ATOM 0 HZ1 LYS A 118 60.045 -33.856 -9.308 1.00 11.13 H new ATOM 0 HZ2 LYS A 118 60.508 -32.229 -9.455 1.00 11.13 H new ATOM 0 HZ3 LYS A 118 61.690 -33.436 -9.284 1.00 11.13 H new ATOM 1785 N LYS A 119 61.722 -30.810 -1.995 1.00 53.31 N ATOM 1786 CA LYS A 119 62.076 -30.684 -0.586 1.00 24.31 C ATOM 1787 C LYS A 119 63.316 -29.813 -0.413 1.00 43.31 C ATOM 1788 O LYS A 119 63.507 -29.185 0.627 1.00 35.34 O ATOM 1789 CB LYS A 119 62.321 -32.065 0.025 1.00 31.00 C ATOM 1790 CG LYS A 119 62.518 -32.039 1.530 1.00 3.33 C ATOM 1791 CD LYS A 119 63.231 -33.286 2.022 1.00 32.52 C ATOM 1792 CE LYS A 119 64.551 -32.947 2.697 1.00 43.43 C ATOM 1793 NZ LYS A 119 64.872 -33.893 3.800 1.00 35.14 N ATOM 0 H LYS A 119 61.671 -31.771 -2.332 1.00 53.31 H new ATOM 0 HA LYS A 119 61.243 -30.207 -0.069 1.00 24.31 H new ATOM 0 HB2 LYS A 119 61.476 -32.712 -0.211 1.00 31.00 H new ATOM 0 HB3 LYS A 119 63.202 -32.508 -0.440 1.00 31.00 H new ATOM 0 HG2 LYS A 119 63.095 -31.156 1.807 1.00 3.33 H new ATOM 0 HG3 LYS A 119 61.549 -31.955 2.023 1.00 3.33 H new ATOM 0 HD2 LYS A 119 62.590 -33.820 2.723 1.00 32.52 H new ATOM 0 HD3 LYS A 119 63.413 -33.957 1.182 1.00 32.52 H new ATOM 0 HE2 LYS A 119 65.352 -32.967 1.958 1.00 43.43 H new ATOM 0 HE3 LYS A 119 64.506 -31.932 3.091 1.00 43.43 H new ATOM 0 HZ1 LYS A 119 65.779 -33.626 4.233 1.00 35.14 H new ATOM 0 HZ2 LYS A 119 64.121 -33.856 4.519 1.00 35.14 H new ATOM 0 HZ3 LYS A 119 64.940 -34.859 3.420 1.00 35.14 H new ATOM 1807 N GLY A 120 64.158 -29.778 -1.443 1.00 23.32 N ATOM 1808 CA GLY A 120 65.369 -28.980 -1.384 1.00 51.34 C ATOM 1809 C GLY A 120 66.212 -29.114 -2.636 1.00 52.15 C ATOM 1810 O GLY A 120 67.373 -29.520 -2.572 1.00 73.24 O ATOM 0 H GLY A 120 64.023 -30.288 -2.316 1.00 23.32 H new ATOM 0 HA2 GLY A 120 65.104 -27.933 -1.238 1.00 51.34 H new ATOM 0 HA3 GLY A 120 65.958 -29.283 -0.519 1.00 51.34 H new ATOM 1814 N LYS A 121 65.628 -28.774 -3.781 1.00 2.12 N ATOM 1815 CA LYS A 121 66.333 -28.858 -5.054 1.00 32.11 C ATOM 1816 C LYS A 121 67.590 -27.995 -5.038 1.00 64.21 C ATOM 1817 O LYS A 121 67.520 -26.773 -5.163 1.00 75.41 O ATOM 1818 CB LYS A 121 65.416 -28.419 -6.198 1.00 13.31 C ATOM 1819 CG LYS A 121 66.124 -28.303 -7.537 1.00 22.03 C ATOM 1820 CD LYS A 121 65.170 -28.543 -8.695 1.00 2.52 C ATOM 1821 CE LYS A 121 65.904 -28.561 -10.027 1.00 22.54 C ATOM 1822 NZ LYS A 121 65.316 -29.551 -10.972 1.00 1.34 N ATOM 0 H LYS A 121 64.668 -28.438 -3.853 1.00 2.12 H new ATOM 0 HA LYS A 121 66.628 -29.896 -5.209 1.00 32.11 H new ATOM 0 HB2 LYS A 121 64.597 -29.133 -6.290 1.00 13.31 H new ATOM 0 HB3 LYS A 121 64.972 -27.456 -5.947 1.00 13.31 H new ATOM 0 HG2 LYS A 121 66.568 -27.312 -7.630 1.00 22.03 H new ATOM 0 HG3 LYS A 121 66.940 -29.024 -7.582 1.00 22.03 H new ATOM 0 HD2 LYS A 121 64.652 -29.491 -8.551 1.00 2.52 H new ATOM 0 HD3 LYS A 121 64.409 -27.763 -8.708 1.00 2.52 H new ATOM 0 HE2 LYS A 121 65.869 -27.567 -10.474 1.00 22.54 H new ATOM 0 HE3 LYS A 121 66.954 -28.799 -9.859 1.00 22.54 H new ATOM 0 HZ1 LYS A 121 65.844 -29.532 -11.868 1.00 1.34 H new ATOM 0 HZ2 LYS A 121 65.372 -30.503 -10.557 1.00 1.34 H new ATOM 0 HZ3 LYS A 121 64.321 -29.310 -11.152 1.00 1.34 H new ATOM 1836 N GLY A 122 68.743 -28.640 -4.885 1.00 31.51 N ATOM 1837 CA GLY A 122 69.999 -27.916 -4.858 1.00 25.04 C ATOM 1838 C GLY A 122 71.129 -28.736 -4.265 1.00 23.14 C ATOM 1839 O GLY A 122 71.495 -28.555 -3.102 1.00 44.10 O ATOM 0 H GLY A 122 68.829 -29.651 -4.779 1.00 31.51 H new ATOM 0 HA2 GLY A 122 70.264 -27.617 -5.872 1.00 25.04 H new ATOM 0 HA3 GLY A 122 69.875 -27.001 -4.278 1.00 25.04 H new ATOM 1843 N LYS A 123 71.682 -29.643 -5.063 1.00 41.42 N ATOM 1844 CA LYS A 123 72.775 -30.495 -4.610 1.00 64.54 C ATOM 1845 C LYS A 123 73.610 -30.980 -5.792 1.00 11.12 C ATOM 1846 O LYS A 123 73.072 -31.375 -6.825 1.00 21.23 O ATOM 1847 CB LYS A 123 72.227 -31.695 -3.834 1.00 73.41 C ATOM 1848 CG LYS A 123 73.307 -32.630 -3.318 1.00 40.24 C ATOM 1849 CD LYS A 123 73.104 -32.959 -1.850 1.00 21.33 C ATOM 1850 CE LYS A 123 74.075 -34.030 -1.379 1.00 21.53 C ATOM 1851 NZ LYS A 123 73.368 -35.195 -0.778 1.00 44.22 N ATOM 0 H LYS A 123 71.391 -29.807 -6.027 1.00 41.42 H new ATOM 0 HA LYS A 123 73.413 -29.906 -3.952 1.00 64.54 H new ATOM 0 HB2 LYS A 123 71.638 -31.334 -2.991 1.00 73.41 H new ATOM 0 HB3 LYS A 123 71.550 -32.256 -4.479 1.00 73.41 H new ATOM 0 HG2 LYS A 123 73.302 -33.550 -3.902 1.00 40.24 H new ATOM 0 HG3 LYS A 123 74.285 -32.169 -3.457 1.00 40.24 H new ATOM 0 HD2 LYS A 123 73.237 -32.057 -1.252 1.00 21.33 H new ATOM 0 HD3 LYS A 123 72.081 -33.299 -1.690 1.00 21.33 H new ATOM 0 HE2 LYS A 123 74.680 -34.367 -2.221 1.00 21.53 H new ATOM 0 HE3 LYS A 123 74.759 -33.603 -0.646 1.00 21.53 H new ATOM 0 HZ1 LYS A 123 74.065 -35.903 -0.470 1.00 44.22 H new ATOM 0 HZ2 LYS A 123 72.811 -34.878 0.041 1.00 44.22 H new ATOM 0 HZ3 LYS A 123 72.734 -35.619 -1.485 1.00 44.22 H new ATOM 1865 N GLY A 124 74.930 -30.947 -5.631 1.00 22.23 N ATOM 1866 CA GLY A 124 75.817 -31.387 -6.691 1.00 63.41 C ATOM 1867 C GLY A 124 77.280 -31.206 -6.335 1.00 62.40 C ATOM 1868 O GLY A 124 77.610 -30.510 -5.377 1.00 45.12 O ATOM 0 H GLY A 124 75.400 -30.623 -4.785 1.00 22.23 H new ATOM 0 HA2 GLY A 124 75.626 -32.438 -6.907 1.00 63.41 H new ATOM 0 HA3 GLY A 124 75.596 -30.829 -7.601 1.00 63.41 H new ATOM 1872 N ASN A 125 78.158 -31.838 -7.107 1.00 63.15 N ATOM 1873 CA ASN A 125 79.594 -31.745 -6.868 1.00 53.14 C ATOM 1874 C ASN A 125 80.256 -30.812 -7.877 1.00 41.23 C ATOM 1875 O ASN A 125 81.443 -30.508 -7.769 1.00 41.15 O ATOM 1876 CB ASN A 125 80.234 -33.132 -6.944 1.00 32.03 C ATOM 1877 CG ASN A 125 80.197 -33.711 -8.344 1.00 31.20 C ATOM 1878 OD1 ASN A 125 79.256 -33.473 -9.102 1.00 10.23 O ATOM 1879 ND2 ASN A 125 81.223 -34.479 -8.695 1.00 42.43 N ATOM 1880 OXT ASN A 125 79.595 -30.359 -8.808 1.00 0.00 O ATOM 0 H ASN A 125 77.900 -32.420 -7.904 1.00 63.15 H new ATOM 0 HA ASN A 125 79.745 -31.335 -5.869 1.00 53.14 H new ATOM 0 HB2 ASN A 125 81.269 -33.070 -6.607 1.00 32.03 H new ATOM 0 HB3 ASN A 125 79.716 -33.806 -6.262 1.00 32.03 H new ATOM 0 HD21 ASN A 125 81.252 -34.898 -9.625 1.00 42.43 H new ATOM 0 HD22 ASN A 125 81.982 -34.650 -8.035 1.00 42.43 H new TER 1887 ASN A 125