USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=25 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 -118:sc= 1.11 USER MOD Set 1.2: A 81 THR OG1 : rot -73:sc= 0.921 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN :FLIP amide:sc= -0.213 F(o=-0.76,f=-0.21) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.0384 (180deg=-0.256) 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= -0.181 K(o=-0.18,f=-0.92) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.11) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 29 ASN : amide:sc= 0.347 X(o=0.35,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.37) USER MOD Single : A 35 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.3!) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -4.39 K(o=-4.4,f=-11!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.102) USER MOD Single : A 56 ASN : amide:sc= -0.0623 X(o=-0.062,f=-0.062) 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 -162:sc= 0.71 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.3) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -178:sc= 0.633 (180deg=0.625) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0277 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -2.13 K(o=-2.1,f=-8!) USER MOD Single : A 90 LYS NZ :NH3+ 152:sc= -0.0845 (180deg=-0.577) USER MOD Single : A 94 ASN : amide:sc= -0.0442 X(o=-0.044,f=-0.15) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 59:sc= 0.917 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0101 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.663 USER MOD Single : A 109 THR OG1 : rot -17:sc= 0.663 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= -0.0575 X(o=-0.057,f=-0.28) USER MOD Single : A 114 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0149) USER MOD Single : A 116 LYS NZ :NH3+ -116:sc=-0.000162 (180deg=-0.202) 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 X(o=0,f=0.0051) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -77.960 22.074 -25.818 1.00 72.03 N ATOM 2 CA GLY A 1 -77.471 22.380 -24.486 1.00 11.33 C ATOM 3 C GLY A 1 -76.523 21.320 -23.960 1.00 31.51 C ATOM 4 O GLY A 1 -76.803 20.125 -24.051 1.00 12.32 O ATOM 0 H1 GLY A 1 -78.604 22.828 -26.133 1.00 72.03 H new ATOM 0 H2 GLY A 1 -77.157 22.007 -26.476 1.00 72.03 H new ATOM 0 H3 GLY A 1 -78.470 21.168 -25.801 1.00 72.03 H new ATOM 0 HA2 GLY A 1 -76.962 23.344 -24.502 1.00 11.33 H new ATOM 0 HA3 GLY A 1 -78.317 22.477 -23.805 1.00 11.33 H new ATOM 10 N SER A 2 -75.395 21.759 -23.410 1.00 2.32 N ATOM 11 CA SER A 2 -74.398 20.839 -22.872 1.00 12.43 C ATOM 12 C SER A 2 -73.456 21.560 -21.913 1.00 70.41 C ATOM 13 O SER A 2 -73.372 21.221 -20.733 1.00 13.31 O ATOM 14 CB SER A 2 -73.599 20.200 -24.008 1.00 31.13 C ATOM 15 OG SER A 2 -72.255 19.976 -23.621 1.00 21.53 O ATOM 0 H SER A 2 -75.148 22.745 -23.325 1.00 2.32 H new ATOM 0 HA SER A 2 -74.920 20.057 -22.321 1.00 12.43 H new ATOM 0 HB2 SER A 2 -74.061 19.255 -24.295 1.00 31.13 H new ATOM 0 HB3 SER A 2 -73.626 20.847 -24.885 1.00 31.13 H new ATOM 0 HG SER A 2 -71.765 19.565 -24.364 1.00 21.53 H new ATOM 21 N LYS A 3 -72.747 22.558 -22.431 1.00 64.02 N ATOM 22 CA LYS A 3 -71.809 23.329 -21.623 1.00 31.01 C ATOM 23 C LYS A 3 -70.717 22.430 -21.051 1.00 52.45 C ATOM 24 O LYS A 3 -70.803 21.985 -19.906 1.00 72.51 O ATOM 25 CB LYS A 3 -72.548 24.040 -20.486 1.00 21.10 C ATOM 26 CG LYS A 3 -73.676 24.938 -20.963 1.00 50.15 C ATOM 27 CD LYS A 3 -74.778 25.049 -19.922 1.00 35.42 C ATOM 28 CE LYS A 3 -74.483 26.145 -18.910 1.00 63.34 C ATOM 29 NZ LYS A 3 -75.491 26.174 -17.816 1.00 63.13 N ATOM 0 H LYS A 3 -72.804 22.852 -23.406 1.00 64.02 H new ATOM 0 HA LYS A 3 -71.341 24.075 -22.266 1.00 31.01 H new ATOM 0 HB2 LYS A 3 -72.953 23.293 -19.804 1.00 21.10 H new ATOM 0 HB3 LYS A 3 -71.835 24.637 -19.918 1.00 21.10 H new ATOM 0 HG2 LYS A 3 -73.283 25.930 -21.186 1.00 50.15 H new ATOM 0 HG3 LYS A 3 -74.089 24.543 -21.891 1.00 50.15 H new ATOM 0 HD2 LYS A 3 -75.727 25.255 -20.417 1.00 35.42 H new ATOM 0 HD3 LYS A 3 -74.889 24.096 -19.405 1.00 35.42 H new ATOM 0 HE2 LYS A 3 -73.491 25.990 -18.486 1.00 63.34 H new ATOM 0 HE3 LYS A 3 -74.467 27.111 -19.415 1.00 63.34 H new ATOM 0 HZ1 LYS A 3 -75.255 26.934 -17.147 1.00 63.13 H new ATOM 0 HZ2 LYS A 3 -76.435 26.347 -18.218 1.00 63.13 H new ATOM 0 HZ3 LYS A 3 -75.489 25.261 -17.318 1.00 63.13 H new ATOM 43 N ASN A 4 -69.690 22.172 -21.853 1.00 3.43 N ATOM 44 CA ASN A 4 -68.580 21.327 -21.425 1.00 70.20 C ATOM 45 C ASN A 4 -67.328 21.616 -22.247 1.00 4.11 C ATOM 46 O ASN A 4 -67.412 21.985 -23.419 1.00 71.03 O ATOM 47 CB ASN A 4 -68.956 19.850 -21.552 1.00 11.52 C ATOM 48 CG ASN A 4 -67.763 18.931 -21.383 1.00 45.12 C ATOM 49 OD1 ASN A 4 -67.076 19.056 -20.252 1.00 52.02 O flip ATOM 50 ND2 ASN A 4 -67.460 18.119 -22.257 1.00 14.50 N flip ATOM 0 H ASN A 4 -69.602 22.535 -22.802 1.00 3.43 H new ATOM 0 HA ASN A 4 -68.368 21.552 -20.380 1.00 70.20 H new ATOM 0 HB2 ASN A 4 -69.709 19.604 -20.803 1.00 11.52 H new ATOM 0 HB3 ASN A 4 -69.409 19.676 -22.528 1.00 11.52 H new ATOM 0 HD21 ASN A 4 -68.016 18.057 -23.110 1.00 14.50 H new ATOM 0 HD22 ASN A 4 -66.653 17.508 -22.128 1.00 14.50 H new ATOM 57 N LYS A 5 -66.166 21.446 -21.626 1.00 50.55 N ATOM 58 CA LYS A 5 -64.895 21.686 -22.299 1.00 32.11 C ATOM 59 C LYS A 5 -63.763 20.930 -21.611 1.00 10.32 C ATOM 60 O LYS A 5 -63.895 20.505 -20.462 1.00 41.23 O ATOM 61 CB LYS A 5 -64.582 23.184 -22.323 1.00 4.41 C ATOM 62 CG LYS A 5 -64.817 23.876 -20.990 1.00 71.43 C ATOM 63 CD LYS A 5 -66.230 24.425 -20.888 1.00 10.21 C ATOM 64 CE LYS A 5 -66.233 25.874 -20.427 1.00 72.44 C ATOM 65 NZ LYS A 5 -65.587 26.773 -21.424 1.00 3.43 N ATOM 0 H LYS A 5 -66.078 21.142 -20.656 1.00 50.55 H new ATOM 0 HA LYS A 5 -64.981 21.322 -23.323 1.00 32.11 H new ATOM 0 HB2 LYS A 5 -63.542 23.325 -22.618 1.00 4.41 H new ATOM 0 HB3 LYS A 5 -65.197 23.663 -23.085 1.00 4.41 H new ATOM 0 HG2 LYS A 5 -64.640 23.172 -20.177 1.00 71.43 H new ATOM 0 HG3 LYS A 5 -64.100 24.689 -20.870 1.00 71.43 H new ATOM 0 HD2 LYS A 5 -66.722 24.350 -21.858 1.00 10.21 H new ATOM 0 HD3 LYS A 5 -66.807 23.819 -20.190 1.00 10.21 H new ATOM 0 HE2 LYS A 5 -67.259 26.199 -20.256 1.00 72.44 H new ATOM 0 HE3 LYS A 5 -65.710 25.953 -19.474 1.00 72.44 H new ATOM 0 HZ1 LYS A 5 -65.959 27.738 -21.313 1.00 3.43 H new ATOM 0 HZ2 LYS A 5 -64.558 26.778 -21.271 1.00 3.43 H new ATOM 0 HZ3 LYS A 5 -65.793 26.431 -22.384 1.00 3.43 H new ATOM 79 N LYS A 6 -62.650 20.767 -22.318 1.00 35.11 N ATOM 80 CA LYS A 6 -61.494 20.065 -21.775 1.00 34.25 C ATOM 81 C LYS A 6 -60.234 20.399 -22.566 1.00 61.25 C ATOM 82 O LYS A 6 -60.309 20.908 -23.684 1.00 31.11 O ATOM 83 CB LYS A 6 -61.734 18.554 -21.794 1.00 34.32 C ATOM 84 CG LYS A 6 -61.533 17.889 -20.444 1.00 45.51 C ATOM 85 CD LYS A 6 -62.803 17.926 -19.608 1.00 60.00 C ATOM 86 CE LYS A 6 -62.944 16.678 -18.752 1.00 42.21 C ATOM 87 NZ LYS A 6 -64.225 16.668 -17.994 1.00 24.14 N ATOM 0 H LYS A 6 -62.524 21.112 -23.270 1.00 35.11 H new ATOM 0 HA LYS A 6 -61.353 20.392 -20.745 1.00 34.25 H new ATOM 0 HB2 LYS A 6 -62.750 18.360 -22.137 1.00 34.32 H new ATOM 0 HB3 LYS A 6 -61.060 18.097 -22.519 1.00 34.32 H new ATOM 0 HG2 LYS A 6 -61.223 16.854 -20.590 1.00 45.51 H new ATOM 0 HG3 LYS A 6 -60.728 18.391 -19.907 1.00 45.51 H new ATOM 0 HD2 LYS A 6 -62.793 18.808 -18.968 1.00 60.00 H new ATOM 0 HD3 LYS A 6 -63.669 18.018 -20.264 1.00 60.00 H new ATOM 0 HE2 LYS A 6 -62.891 15.794 -19.387 1.00 42.21 H new ATOM 0 HE3 LYS A 6 -62.109 16.620 -18.054 1.00 42.21 H new ATOM 0 HZ1 LYS A 6 -64.283 15.801 -17.423 1.00 24.14 H new ATOM 0 HZ2 LYS A 6 -64.265 17.498 -17.369 1.00 24.14 H new ATOM 0 HZ3 LYS A 6 -65.023 16.698 -18.660 1.00 24.14 H new ATOM 101 N GLU A 7 -59.076 20.109 -21.978 1.00 15.04 N ATOM 102 CA GLU A 7 -57.801 20.379 -22.631 1.00 12.10 C ATOM 103 C GLU A 7 -56.637 19.931 -21.752 1.00 65.53 C ATOM 104 O GLU A 7 -56.708 19.992 -20.526 1.00 55.30 O ATOM 105 CB GLU A 7 -57.672 21.870 -22.948 1.00 65.24 C ATOM 106 CG GLU A 7 -57.060 22.153 -24.309 1.00 64.20 C ATOM 107 CD GLU A 7 -56.575 23.583 -24.447 1.00 12.15 C ATOM 108 OE1 GLU A 7 -57.419 24.502 -24.394 1.00 34.21 O ATOM 109 OE2 GLU A 7 -55.354 23.783 -24.609 1.00 13.12 O ATOM 0 H GLU A 7 -58.996 19.688 -21.052 1.00 15.04 H new ATOM 0 HA GLU A 7 -57.770 19.814 -23.562 1.00 12.10 H new ATOM 0 HB2 GLU A 7 -58.659 22.329 -22.901 1.00 65.24 H new ATOM 0 HB3 GLU A 7 -57.062 22.345 -22.179 1.00 65.24 H new ATOM 0 HG2 GLU A 7 -56.225 21.473 -24.476 1.00 64.20 H new ATOM 0 HG3 GLU A 7 -57.798 21.948 -25.084 1.00 64.20 H new ATOM 116 N LYS A 8 -55.562 19.480 -22.391 1.00 50.20 N ATOM 117 CA LYS A 8 -54.379 19.021 -21.671 1.00 21.22 C ATOM 118 C LYS A 8 -53.279 18.604 -22.641 1.00 70.44 C ATOM 119 O LYS A 8 -53.446 18.688 -23.858 1.00 43.25 O ATOM 120 CB LYS A 8 -54.738 17.847 -20.756 1.00 44.23 C ATOM 121 CG LYS A 8 -54.487 18.125 -19.285 1.00 24.11 C ATOM 122 CD LYS A 8 -53.984 16.887 -18.561 1.00 11.22 C ATOM 123 CE LYS A 8 -54.860 16.545 -17.366 1.00 52.43 C ATOM 124 NZ LYS A 8 -54.754 15.108 -16.992 1.00 1.41 N ATOM 0 H LYS A 8 -55.486 19.423 -23.407 1.00 50.20 H new ATOM 0 HA LYS A 8 -54.010 19.848 -21.065 1.00 21.22 H new ATOM 0 HB2 LYS A 8 -55.790 17.597 -20.896 1.00 44.23 H new ATOM 0 HB3 LYS A 8 -54.160 16.973 -21.056 1.00 44.23 H new ATOM 0 HG2 LYS A 8 -53.757 18.928 -19.185 1.00 24.11 H new ATOM 0 HG3 LYS A 8 -55.408 18.472 -18.817 1.00 24.11 H new ATOM 0 HD2 LYS A 8 -53.963 16.044 -19.251 1.00 11.22 H new ATOM 0 HD3 LYS A 8 -52.959 17.051 -18.227 1.00 11.22 H new ATOM 0 HE2 LYS A 8 -54.572 17.163 -16.516 1.00 52.43 H new ATOM 0 HE3 LYS A 8 -55.898 16.784 -17.597 1.00 52.43 H new ATOM 0 HZ1 LYS A 8 -55.366 14.916 -16.173 1.00 1.41 H new ATOM 0 HZ2 LYS A 8 -55.053 14.518 -17.794 1.00 1.41 H new ATOM 0 HZ3 LYS A 8 -53.768 14.885 -16.747 1.00 1.41 H new ATOM 138 N ASN A 9 -52.154 18.155 -22.095 1.00 40.10 N ATOM 139 CA ASN A 9 -51.025 17.725 -22.914 1.00 51.51 C ATOM 140 C ASN A 9 -50.186 16.684 -22.178 1.00 63.10 C ATOM 141 O ASN A 9 -50.582 16.181 -21.126 1.00 71.13 O ATOM 142 CB ASN A 9 -50.155 18.924 -23.291 1.00 44.21 C ATOM 143 CG ASN A 9 -49.903 19.011 -24.784 1.00 1.13 C ATOM 144 OD1 ASN A 9 -50.769 18.673 -25.592 1.00 1.55 O ATOM 145 ND2 ASN A 9 -48.712 19.464 -25.157 1.00 32.25 N ATOM 0 H ASN A 9 -51.999 18.079 -21.090 1.00 40.10 H new ATOM 0 HA ASN A 9 -51.419 17.272 -23.824 1.00 51.51 H new ATOM 0 HB2 ASN A 9 -50.639 19.841 -22.953 1.00 44.21 H new ATOM 0 HB3 ASN A 9 -49.201 18.856 -22.768 1.00 44.21 H new ATOM 0 HD21 ASN A 9 -48.484 19.543 -26.148 1.00 32.25 H new ATOM 0 HD22 ASN A 9 -48.025 19.733 -24.453 1.00 32.25 H new ATOM 152 N LYS A 10 -49.024 16.366 -22.739 1.00 40.23 N ATOM 153 CA LYS A 10 -48.126 15.387 -22.138 1.00 52.32 C ATOM 154 C LYS A 10 -46.718 15.516 -22.711 1.00 21.11 C ATOM 155 O LYS A 10 -45.768 15.813 -21.989 1.00 43.40 O ATOM 156 CB LYS A 10 -48.655 13.970 -22.369 1.00 22.21 C ATOM 157 CG LYS A 10 -47.931 12.910 -21.556 1.00 51.35 C ATOM 158 CD LYS A 10 -48.879 11.813 -21.101 1.00 52.15 C ATOM 159 CE LYS A 10 -48.660 11.460 -19.638 1.00 1.22 C ATOM 160 NZ LYS A 10 -49.604 10.404 -19.176 1.00 5.21 N ATOM 0 H LYS A 10 -48.682 16.773 -23.610 1.00 40.23 H new ATOM 0 HA LYS A 10 -48.082 15.581 -21.066 1.00 52.32 H new ATOM 0 HB2 LYS A 10 -49.716 13.943 -22.123 1.00 22.21 H new ATOM 0 HB3 LYS A 10 -48.567 13.727 -23.428 1.00 22.21 H new ATOM 0 HG2 LYS A 10 -47.130 12.475 -22.154 1.00 51.35 H new ATOM 0 HG3 LYS A 10 -47.464 13.373 -20.686 1.00 51.35 H new ATOM 0 HD2 LYS A 10 -49.909 12.137 -21.248 1.00 52.15 H new ATOM 0 HD3 LYS A 10 -48.733 10.925 -21.717 1.00 52.15 H new ATOM 0 HE2 LYS A 10 -47.635 11.118 -19.496 1.00 1.22 H new ATOM 0 HE3 LYS A 10 -48.786 12.353 -19.026 1.00 1.22 H new ATOM 0 HZ1 LYS A 10 -49.423 10.191 -18.174 1.00 5.21 H new ATOM 0 HZ2 LYS A 10 -50.582 10.740 -19.288 1.00 5.21 H new ATOM 0 HZ3 LYS A 10 -49.467 9.543 -19.743 1.00 5.21 H new ATOM 174 N GLY A 11 -46.592 15.290 -24.015 1.00 55.15 N ATOM 175 CA GLY A 11 -45.297 15.389 -24.663 1.00 55.50 C ATOM 176 C GLY A 11 -44.770 14.039 -25.111 1.00 42.42 C ATOM 177 O GLY A 11 -45.538 13.099 -25.308 1.00 12.13 O ATOM 0 H GLY A 11 -47.363 15.040 -24.634 1.00 55.15 H new ATOM 0 HA2 GLY A 11 -45.375 16.050 -25.526 1.00 55.50 H new ATOM 0 HA3 GLY A 11 -44.584 15.845 -23.976 1.00 55.50 H new ATOM 181 N GLY A 12 -43.453 13.946 -25.275 1.00 3.34 N ATOM 182 CA GLY A 12 -42.847 12.698 -25.703 1.00 13.52 C ATOM 183 C GLY A 12 -41.448 12.514 -25.151 1.00 3.12 C ATOM 184 O GLY A 12 -41.090 13.107 -24.132 1.00 20.12 O ATOM 0 H GLY A 12 -42.796 14.711 -25.119 1.00 3.34 H new ATOM 0 HA2 GLY A 12 -43.473 11.865 -25.383 1.00 13.52 H new ATOM 0 HA3 GLY A 12 -42.811 12.670 -26.792 1.00 13.52 H new ATOM 188 N LYS A 13 -40.653 11.689 -25.822 1.00 34.40 N ATOM 189 CA LYS A 13 -39.283 11.427 -25.393 1.00 61.31 C ATOM 190 C LYS A 13 -38.542 10.585 -26.427 1.00 61.41 C ATOM 191 O LYS A 13 -39.102 10.215 -27.458 1.00 10.54 O ATOM 192 CB LYS A 13 -39.279 10.714 -24.040 1.00 73.54 C ATOM 193 CG LYS A 13 -40.092 9.432 -24.025 1.00 52.20 C ATOM 194 CD LYS A 13 -40.923 9.313 -22.758 1.00 1.13 C ATOM 195 CE LYS A 13 -42.023 8.273 -22.907 1.00 21.53 C ATOM 196 NZ LYS A 13 -41.483 6.952 -23.333 1.00 21.34 N ATOM 0 H LYS A 13 -40.933 11.189 -26.666 1.00 34.40 H new ATOM 0 HA LYS A 13 -38.769 12.383 -25.294 1.00 61.31 H new ATOM 0 HB2 LYS A 13 -38.250 10.485 -23.763 1.00 73.54 H new ATOM 0 HB3 LYS A 13 -39.670 11.391 -23.281 1.00 73.54 H new ATOM 0 HG2 LYS A 13 -40.748 9.406 -24.895 1.00 52.20 H new ATOM 0 HG3 LYS A 13 -39.423 8.575 -24.104 1.00 52.20 H new ATOM 0 HD2 LYS A 13 -40.277 9.044 -21.922 1.00 1.13 H new ATOM 0 HD3 LYS A 13 -41.365 10.280 -22.520 1.00 1.13 H new ATOM 0 HE2 LYS A 13 -42.549 8.162 -21.959 1.00 21.53 H new ATOM 0 HE3 LYS A 13 -42.754 8.619 -23.638 1.00 21.53 H new ATOM 0 HZ1 LYS A 13 -42.220 6.226 -23.228 1.00 21.34 H new ATOM 0 HZ2 LYS A 13 -41.186 7.003 -24.328 1.00 21.34 H new ATOM 0 HZ3 LYS A 13 -40.665 6.704 -22.740 1.00 21.34 H new ATOM 210 N GLY A 14 -37.279 10.284 -26.142 1.00 64.13 N ATOM 211 CA GLY A 14 -36.481 9.486 -27.055 1.00 71.31 C ATOM 212 C GLY A 14 -35.073 9.256 -26.546 1.00 64.43 C ATOM 213 O GLY A 14 -34.878 8.836 -25.406 1.00 5.11 O ATOM 0 H GLY A 14 -36.794 10.579 -25.295 1.00 64.13 H new ATOM 0 HA2 GLY A 14 -36.969 8.524 -27.213 1.00 71.31 H new ATOM 0 HA3 GLY A 14 -36.437 9.984 -28.024 1.00 71.31 H new ATOM 217 N GLY A 15 -34.085 9.530 -27.395 1.00 41.41 N ATOM 218 CA GLY A 15 -32.700 9.342 -27.005 1.00 61.45 C ATOM 219 C GLY A 15 -31.802 10.458 -27.504 1.00 24.44 C ATOM 220 O GLY A 15 -31.333 11.282 -26.721 1.00 53.40 O ATOM 0 H GLY A 15 -34.220 9.878 -28.344 1.00 41.41 H new ATOM 0 HA2 GLY A 15 -32.636 9.286 -25.918 1.00 61.45 H new ATOM 0 HA3 GLY A 15 -32.342 8.389 -27.395 1.00 61.45 H new ATOM 224 N ALA A 16 -31.562 10.482 -28.810 1.00 64.54 N ATOM 225 CA ALA A 16 -30.713 11.505 -29.412 1.00 35.44 C ATOM 226 C ALA A 16 -29.258 11.324 -28.996 1.00 60.04 C ATOM 227 O ALA A 16 -28.439 10.824 -29.768 1.00 41.35 O ATOM 228 CB ALA A 16 -31.207 12.892 -29.027 1.00 33.42 C ATOM 0 H ALA A 16 -31.943 9.806 -29.472 1.00 64.54 H new ATOM 0 HA ALA A 16 -30.769 11.399 -30.495 1.00 35.44 H new ATOM 0 HB1 ALA A 16 -30.565 13.646 -29.482 1.00 33.42 H new ATOM 0 HB2 ALA A 16 -32.230 13.025 -29.380 1.00 33.42 H new ATOM 0 HB3 ALA A 16 -31.180 13.000 -27.943 1.00 33.42 H new ATOM 234 N ASP A 17 -28.941 11.736 -27.774 1.00 13.13 N ATOM 235 CA ASP A 17 -27.583 11.620 -27.256 1.00 31.02 C ATOM 236 C ASP A 17 -27.588 11.529 -25.733 1.00 71.13 C ATOM 237 O ASP A 17 -28.646 11.458 -25.108 1.00 33.13 O ATOM 238 CB ASP A 17 -26.739 12.815 -27.704 1.00 24.15 C ATOM 239 CG ASP A 17 -25.562 12.400 -28.565 1.00 2.11 C ATOM 240 OD1 ASP A 17 -25.791 11.920 -29.693 1.00 52.13 O ATOM 241 OD2 ASP A 17 -24.409 12.557 -28.108 1.00 14.14 O ATOM 0 H ASP A 17 -29.606 12.154 -27.123 1.00 13.13 H new ATOM 0 HA ASP A 17 -27.146 10.705 -27.656 1.00 31.02 H new ATOM 0 HB2 ASP A 17 -27.366 13.511 -28.261 1.00 24.15 H new ATOM 0 HB3 ASP A 17 -26.374 13.348 -26.826 1.00 24.15 H new ATOM 246 N CYS A 18 -26.398 11.530 -25.141 1.00 74.23 N ATOM 247 CA CYS A 18 -26.264 11.445 -23.692 1.00 41.32 C ATOM 248 C CYS A 18 -25.305 12.513 -23.171 1.00 31.42 C ATOM 249 O CYS A 18 -24.136 12.549 -23.554 1.00 60.14 O ATOM 250 CB CYS A 18 -25.770 10.056 -23.284 1.00 60.11 C ATOM 251 SG CYS A 18 -26.213 9.578 -21.583 1.00 74.20 S ATOM 0 H CYS A 18 -25.512 11.589 -25.643 1.00 74.23 H new ATOM 0 HA CYS A 18 -27.246 11.617 -23.251 1.00 41.32 H new ATOM 0 HB2 CYS A 18 -26.179 9.319 -23.975 1.00 60.11 H new ATOM 0 HB3 CYS A 18 -24.686 10.023 -23.388 1.00 60.11 H new ATOM 257 N ALA A 19 -25.808 13.377 -22.296 1.00 34.44 N ATOM 258 CA ALA A 19 -24.997 14.442 -21.722 1.00 13.20 C ATOM 259 C ALA A 19 -23.758 13.879 -21.033 1.00 10.55 C ATOM 260 O ALA A 19 -22.754 14.570 -20.879 1.00 71.15 O ATOM 261 CB ALA A 19 -25.820 15.263 -20.740 1.00 35.14 C ATOM 0 H ALA A 19 -26.774 13.360 -21.969 1.00 34.44 H new ATOM 0 HA ALA A 19 -24.667 15.090 -22.534 1.00 13.20 H new ATOM 0 HB1 ALA A 19 -25.201 16.055 -20.319 1.00 35.14 H new ATOM 0 HB2 ALA A 19 -26.671 15.705 -21.259 1.00 35.14 H new ATOM 0 HB3 ALA A 19 -26.179 14.618 -19.938 1.00 35.14 H new ATOM 267 N GLU A 20 -23.839 12.618 -20.619 1.00 33.21 N ATOM 268 CA GLU A 20 -22.726 11.962 -19.946 1.00 51.11 C ATOM 269 C GLU A 20 -22.611 10.503 -20.375 1.00 32.43 C ATOM 270 O GLU A 20 -23.091 9.602 -19.687 1.00 51.35 O ATOM 271 CB GLU A 20 -22.898 12.046 -18.427 1.00 34.22 C ATOM 272 CG GLU A 20 -24.269 11.600 -17.945 1.00 54.23 C ATOM 273 CD GLU A 20 -24.200 10.401 -17.020 1.00 21.22 C ATOM 274 OE1 GLU A 20 -23.298 10.368 -16.157 1.00 24.03 O ATOM 275 OE2 GLU A 20 -25.049 9.496 -17.159 1.00 4.54 O ATOM 0 H GLU A 20 -24.665 12.031 -20.738 1.00 33.21 H new ATOM 0 HA GLU A 20 -21.809 12.479 -20.231 1.00 51.11 H new ATOM 0 HB2 GLU A 20 -22.136 11.431 -17.949 1.00 34.22 H new ATOM 0 HB3 GLU A 20 -22.726 13.073 -18.106 1.00 34.22 H new ATOM 0 HG2 GLU A 20 -24.754 12.427 -17.426 1.00 54.23 H new ATOM 0 HG3 GLU A 20 -24.891 11.355 -18.806 1.00 54.23 H new ATOM 282 N TRP A 21 -21.975 10.276 -21.518 1.00 72.43 N ATOM 283 CA TRP A 21 -21.797 8.927 -22.043 1.00 0.45 C ATOM 284 C TRP A 21 -20.958 8.081 -21.091 1.00 63.41 C ATOM 285 O TRP A 21 -19.849 8.463 -20.720 1.00 45.34 O ATOM 286 CB TRP A 21 -21.137 8.975 -23.420 1.00 74.42 C ATOM 287 CG TRP A 21 -22.029 9.534 -24.487 1.00 62.03 C ATOM 288 CD1 TRP A 21 -21.939 10.767 -25.068 1.00 75.02 C ATOM 289 CD2 TRP A 21 -23.146 8.881 -25.100 1.00 52.41 C ATOM 290 NE1 TRP A 21 -22.933 10.920 -26.004 1.00 31.41 N ATOM 291 CE2 TRP A 21 -23.688 9.777 -26.044 1.00 44.50 C ATOM 292 CE3 TRP A 21 -23.742 7.626 -24.943 1.00 75.12 C ATOM 293 CZ2 TRP A 21 -24.795 9.456 -26.824 1.00 52.33 C ATOM 294 CZ3 TRP A 21 -24.841 7.310 -25.719 1.00 52.21 C ATOM 295 CH2 TRP A 21 -25.358 8.222 -26.650 1.00 34.54 C ATOM 0 H TRP A 21 -21.573 11.010 -22.101 1.00 72.43 H new ATOM 0 HA TRP A 21 -22.781 8.468 -22.138 1.00 0.45 H new ATOM 0 HB2 TRP A 21 -20.232 9.579 -23.360 1.00 74.42 H new ATOM 0 HB3 TRP A 21 -20.830 7.968 -23.703 1.00 74.42 H new ATOM 0 HD1 TRP A 21 -21.195 11.512 -24.827 1.00 75.02 H new ATOM 0 HE1 TRP A 21 -23.085 11.750 -26.577 1.00 31.41 H new ATOM 0 HE3 TRP A 21 -23.351 6.917 -24.229 1.00 75.12 H new ATOM 0 HZ2 TRP A 21 -25.195 10.157 -27.542 1.00 52.33 H new ATOM 0 HZ3 TRP A 21 -25.310 6.344 -25.606 1.00 52.21 H new ATOM 0 HH2 TRP A 21 -26.218 7.944 -27.241 1.00 34.54 H new ATOM 306 N LEU A 22 -21.494 6.928 -20.702 1.00 53.31 N ATOM 307 CA LEU A 22 -20.793 6.027 -19.794 1.00 35.10 C ATOM 308 C LEU A 22 -20.274 4.802 -20.538 1.00 24.35 C ATOM 309 O LEU A 22 -21.046 3.924 -20.925 1.00 73.21 O ATOM 310 CB LEU A 22 -21.721 5.594 -18.658 1.00 2.32 C ATOM 311 CG LEU A 22 -23.167 5.290 -19.052 1.00 22.02 C ATOM 312 CD1 LEU A 22 -23.658 4.034 -18.348 1.00 33.13 C ATOM 313 CD2 LEU A 22 -24.067 6.473 -18.727 1.00 34.02 C ATOM 0 H LEU A 22 -22.411 6.596 -21.001 1.00 53.31 H new ATOM 0 HA LEU A 22 -19.941 6.562 -19.374 1.00 35.10 H new ATOM 0 HB2 LEU A 22 -21.299 4.705 -18.189 1.00 2.32 H new ATOM 0 HB3 LEU A 22 -21.729 6.380 -17.902 1.00 2.32 H new ATOM 0 HG LEU A 22 -23.203 5.117 -20.128 1.00 22.02 H new ATOM 0 HD11 LEU A 22 -24.689 3.833 -18.640 1.00 33.13 H new ATOM 0 HD12 LEU A 22 -23.029 3.189 -18.630 1.00 33.13 H new ATOM 0 HD13 LEU A 22 -23.608 4.179 -17.269 1.00 33.13 H new ATOM 0 HD21 LEU A 22 -25.092 6.240 -19.014 1.00 34.02 H new ATOM 0 HD22 LEU A 22 -24.027 6.677 -17.657 1.00 34.02 H new ATOM 0 HD23 LEU A 22 -23.727 7.351 -19.277 1.00 34.02 H new ATOM 325 N TYR A 23 -18.962 4.746 -20.733 1.00 61.44 N ATOM 326 CA TYR A 23 -18.337 3.628 -21.431 1.00 13.21 C ATOM 327 C TYR A 23 -17.131 3.108 -20.657 1.00 33.55 C ATOM 328 O TYR A 23 -16.627 3.770 -19.751 1.00 74.14 O ATOM 329 CB TYR A 23 -17.913 4.051 -22.838 1.00 64.35 C ATOM 330 CG TYR A 23 -17.724 5.543 -22.991 1.00 2.14 C ATOM 331 CD1 TYR A 23 -16.793 6.228 -22.220 1.00 73.24 C ATOM 332 CD2 TYR A 23 -18.476 6.268 -23.907 1.00 73.51 C ATOM 333 CE1 TYR A 23 -16.618 7.593 -22.357 1.00 4.14 C ATOM 334 CE2 TYR A 23 -18.308 7.631 -24.051 1.00 23.33 C ATOM 335 CZ TYR A 23 -17.376 8.289 -23.273 1.00 33.24 C ATOM 336 OH TYR A 23 -17.205 9.648 -23.412 1.00 23.34 O ATOM 0 H TYR A 23 -18.309 5.463 -20.417 1.00 61.44 H new ATOM 0 HA TYR A 23 -19.070 2.824 -21.507 1.00 13.21 H new ATOM 0 HB2 TYR A 23 -16.981 3.547 -23.094 1.00 64.35 H new ATOM 0 HB3 TYR A 23 -18.665 3.713 -23.552 1.00 64.35 H new ATOM 0 HD1 TYR A 23 -16.196 5.686 -21.502 1.00 73.24 H new ATOM 0 HD2 TYR A 23 -19.205 5.756 -24.518 1.00 73.51 H new ATOM 0 HE1 TYR A 23 -15.891 8.111 -21.749 1.00 4.14 H new ATOM 0 HE2 TYR A 23 -18.902 8.179 -24.768 1.00 23.33 H new ATOM 0 HH TYR A 23 -17.815 9.986 -24.100 1.00 23.34 H new ATOM 346 N GLY A 24 -16.670 1.914 -21.023 1.00 52.22 N ATOM 347 CA GLY A 24 -15.526 1.324 -20.354 1.00 53.24 C ATOM 348 C GLY A 24 -14.911 0.191 -21.150 1.00 24.54 C ATOM 349 O GLY A 24 -13.692 0.119 -21.302 1.00 63.34 O ATOM 0 H GLY A 24 -17.069 1.346 -21.771 1.00 52.22 H new ATOM 0 HA2 GLY A 24 -14.773 2.093 -20.181 1.00 53.24 H new ATOM 0 HA3 GLY A 24 -15.832 0.953 -19.376 1.00 53.24 H new ATOM 353 N SER A 25 -15.757 -0.701 -21.658 1.00 70.50 N ATOM 354 CA SER A 25 -15.289 -1.841 -22.437 1.00 31.41 C ATOM 355 C SER A 25 -14.684 -1.382 -23.762 1.00 2.34 C ATOM 356 O SER A 25 -15.310 -0.640 -24.518 1.00 51.14 O ATOM 357 CB SER A 25 -16.440 -2.814 -22.699 1.00 11.51 C ATOM 358 OG SER A 25 -16.803 -2.817 -24.069 1.00 75.00 O ATOM 0 H SER A 25 -16.770 -0.655 -21.544 1.00 70.50 H new ATOM 0 HA SER A 25 -14.516 -2.350 -21.861 1.00 31.41 H new ATOM 0 HB2 SER A 25 -16.147 -3.819 -22.395 1.00 11.51 H new ATOM 0 HB3 SER A 25 -17.301 -2.535 -22.092 1.00 11.51 H new ATOM 0 HG SER A 25 -17.540 -3.448 -24.211 1.00 75.00 H new ATOM 364 N CYS A 26 -13.464 -1.831 -24.034 1.00 63.24 N ATOM 365 CA CYS A 26 -12.772 -1.468 -25.265 1.00 41.33 C ATOM 366 C CYS A 26 -12.635 -2.674 -26.188 1.00 3.20 C ATOM 367 O CYS A 26 -12.345 -3.784 -25.739 1.00 72.25 O ATOM 368 CB CYS A 26 -11.390 -0.894 -24.948 1.00 22.05 C ATOM 369 SG CYS A 26 -11.365 0.916 -24.741 1.00 70.34 S ATOM 0 H CYS A 26 -12.933 -2.447 -23.418 1.00 63.24 H new ATOM 0 HA CYS A 26 -13.365 -0.709 -25.775 1.00 41.33 H new ATOM 0 HB2 CYS A 26 -11.016 -1.358 -24.035 1.00 22.05 H new ATOM 0 HB3 CYS A 26 -10.703 -1.167 -25.749 1.00 22.05 H new ATOM 375 N VAL A 27 -12.846 -2.450 -27.481 1.00 31.21 N ATOM 376 CA VAL A 27 -12.745 -3.518 -28.468 1.00 23.24 C ATOM 377 C VAL A 27 -11.500 -3.351 -29.334 1.00 12.35 C ATOM 378 O VAL A 27 -11.300 -2.307 -29.954 1.00 20.41 O ATOM 379 CB VAL A 27 -13.986 -3.562 -29.378 1.00 3.33 C ATOM 380 CG1 VAL A 27 -13.859 -4.677 -30.403 1.00 12.25 C ATOM 381 CG2 VAL A 27 -15.250 -3.732 -28.548 1.00 44.45 C ATOM 0 H VAL A 27 -13.088 -1.538 -27.869 1.00 31.21 H new ATOM 0 HA VAL A 27 -12.677 -4.454 -27.914 1.00 23.24 H new ATOM 0 HB VAL A 27 -14.054 -2.615 -29.914 1.00 3.33 H new ATOM 0 HG11 VAL A 27 -14.746 -4.692 -31.036 1.00 12.25 H new ATOM 0 HG12 VAL A 27 -12.976 -4.506 -31.019 1.00 12.25 H new ATOM 0 HG13 VAL A 27 -13.764 -5.634 -29.890 1.00 12.25 H new ATOM 0 HG21 VAL A 27 -16.117 -3.761 -29.208 1.00 44.45 H new ATOM 0 HG22 VAL A 27 -15.192 -4.663 -27.983 1.00 44.45 H new ATOM 0 HG23 VAL A 27 -15.347 -2.894 -27.857 1.00 44.45 H new ATOM 391 N ALA A 28 -10.668 -4.386 -29.371 1.00 3.54 N ATOM 392 CA ALA A 28 -9.444 -4.355 -30.161 1.00 14.13 C ATOM 393 C ALA A 28 -9.703 -4.814 -31.593 1.00 14.50 C ATOM 394 O ALA A 28 -10.610 -5.607 -31.844 1.00 75.31 O ATOM 395 CB ALA A 28 -8.375 -5.222 -29.514 1.00 44.52 C ATOM 0 H ALA A 28 -10.820 -5.257 -28.863 1.00 3.54 H new ATOM 0 HA ALA A 28 -9.090 -3.325 -30.195 1.00 14.13 H new ATOM 0 HB1 ALA A 28 -7.467 -5.189 -30.115 1.00 44.52 H new ATOM 0 HB2 ALA A 28 -8.161 -4.849 -28.512 1.00 44.52 H new ATOM 0 HB3 ALA A 28 -8.730 -6.250 -29.450 1.00 44.52 H new ATOM 401 N ASN A 29 -8.902 -4.310 -32.525 1.00 33.21 N ATOM 402 CA ASN A 29 -9.047 -4.668 -33.931 1.00 64.32 C ATOM 403 C ASN A 29 -7.692 -4.994 -34.552 1.00 1.03 C ATOM 404 O ASN A 29 -7.325 -4.447 -35.591 1.00 2.31 O ATOM 405 CB ASN A 29 -9.712 -3.528 -34.704 1.00 54.32 C ATOM 406 CG ASN A 29 -10.583 -4.030 -35.840 1.00 52.44 C ATOM 407 OD1 ASN A 29 -11.803 -3.856 -35.827 1.00 42.32 O ATOM 408 ND2 ASN A 29 -9.960 -4.656 -36.831 1.00 45.41 N ATOM 0 H ASN A 29 -8.146 -3.653 -32.333 1.00 33.21 H new ATOM 0 HA ASN A 29 -9.678 -5.555 -33.990 1.00 64.32 H new ATOM 0 HB2 ASN A 29 -10.318 -2.934 -34.020 1.00 54.32 H new ATOM 0 HB3 ASN A 29 -8.943 -2.867 -35.104 1.00 54.32 H new ATOM 0 HD21 ASN A 29 -10.494 -5.015 -37.623 1.00 45.41 H new ATOM 0 HD22 ASN A 29 -8.948 -4.778 -36.801 1.00 45.41 H new ATOM 415 N ASN A 30 -6.952 -5.890 -33.907 1.00 53.13 N ATOM 416 CA ASN A 30 -5.636 -6.289 -34.395 1.00 63.12 C ATOM 417 C ASN A 30 -5.256 -7.668 -33.866 1.00 43.44 C ATOM 418 O ASN A 30 -4.087 -7.938 -33.592 1.00 25.44 O ATOM 419 CB ASN A 30 -4.582 -5.261 -33.980 1.00 12.41 C ATOM 420 CG ASN A 30 -3.672 -4.870 -35.129 1.00 72.01 C ATOM 421 OD1 ASN A 30 -4.129 -4.651 -36.251 1.00 13.03 O ATOM 422 ND2 ASN A 30 -2.377 -4.781 -34.853 1.00 61.00 N ATOM 0 H ASN A 30 -7.241 -6.354 -33.046 1.00 53.13 H new ATOM 0 HA ASN A 30 -5.677 -6.336 -35.483 1.00 63.12 H new ATOM 0 HB2 ASN A 30 -5.079 -4.371 -33.594 1.00 12.41 H new ATOM 0 HB3 ASN A 30 -3.981 -5.668 -33.167 1.00 12.41 H new ATOM 0 HD21 ASN A 30 -1.716 -4.522 -35.585 1.00 61.00 H new ATOM 0 HD22 ASN A 30 -2.043 -4.971 -33.908 1.00 61.00 H new ATOM 429 N GLY A 31 -6.250 -8.538 -33.723 1.00 54.40 N ATOM 430 CA GLY A 31 -5.999 -9.878 -33.227 1.00 42.13 C ATOM 431 C GLY A 31 -6.628 -10.120 -31.869 1.00 23.42 C ATOM 432 O GLY A 31 -7.649 -10.800 -31.762 1.00 54.22 O ATOM 0 H GLY A 31 -7.226 -8.339 -33.942 1.00 54.40 H new ATOM 0 HA2 GLY A 31 -6.389 -10.605 -33.939 1.00 42.13 H new ATOM 0 HA3 GLY A 31 -4.923 -10.042 -33.160 1.00 42.13 H new ATOM 436 N ASP A 32 -6.016 -9.567 -30.828 1.00 0.14 N ATOM 437 CA ASP A 32 -6.521 -9.728 -29.469 1.00 71.31 C ATOM 438 C ASP A 32 -6.499 -8.399 -28.721 1.00 75.14 C ATOM 439 O ASP A 32 -7.520 -7.954 -28.195 1.00 1.01 O ATOM 440 CB ASP A 32 -5.692 -10.767 -28.714 1.00 11.11 C ATOM 441 CG ASP A 32 -5.870 -10.668 -27.212 1.00 0.43 C ATOM 442 OD1 ASP A 32 -7.011 -10.846 -26.736 1.00 53.20 O ATOM 443 OD2 ASP A 32 -4.868 -10.414 -26.511 1.00 72.53 O ATOM 0 H ASP A 32 -5.169 -9.003 -30.899 1.00 0.14 H new ATOM 0 HA ASP A 32 -7.553 -10.073 -29.529 1.00 71.31 H new ATOM 0 HB2 ASP A 32 -5.976 -11.766 -29.046 1.00 11.11 H new ATOM 0 HB3 ASP A 32 -4.639 -10.637 -28.962 1.00 11.11 H new ATOM 448 N CYS A 33 -5.330 -7.770 -28.676 1.00 24.20 N ATOM 449 CA CYS A 33 -5.173 -6.492 -27.990 1.00 23.14 C ATOM 450 C CYS A 33 -4.451 -5.483 -28.879 1.00 23.12 C ATOM 451 O CYS A 33 -3.623 -5.853 -29.711 1.00 3.12 O ATOM 452 CB CYS A 33 -4.402 -6.683 -26.683 1.00 63.31 C ATOM 453 SG CYS A 33 -2.891 -7.688 -26.851 1.00 1.32 S ATOM 0 H CYS A 33 -4.476 -8.124 -29.107 1.00 24.20 H new ATOM 0 HA CYS A 33 -6.166 -6.104 -27.764 1.00 23.14 H new ATOM 0 HB2 CYS A 33 -4.132 -5.704 -26.286 1.00 63.31 H new ATOM 0 HB3 CYS A 33 -5.059 -7.153 -25.951 1.00 63.31 H new ATOM 459 N GLY A 34 -4.771 -4.207 -28.694 1.00 63.11 N ATOM 460 CA GLY A 34 -4.144 -3.164 -29.486 1.00 3.23 C ATOM 461 C GLY A 34 -5.065 -1.984 -29.725 1.00 1.21 C ATOM 462 O GLY A 34 -6.261 -2.055 -29.438 1.00 63.35 O ATOM 0 H GLY A 34 -5.452 -3.876 -28.011 1.00 63.11 H new ATOM 0 HA2 GLY A 34 -3.242 -2.820 -28.979 1.00 3.23 H new ATOM 0 HA3 GLY A 34 -3.833 -3.578 -30.445 1.00 3.23 H new ATOM 466 N GLN A 35 -4.509 -0.898 -30.250 1.00 51.02 N ATOM 467 CA GLN A 35 -5.289 0.303 -30.524 1.00 41.13 C ATOM 468 C GLN A 35 -6.553 -0.037 -31.307 1.00 21.25 C ATOM 469 O GLN A 35 -6.521 -0.840 -32.239 1.00 13.05 O ATOM 470 CB GLN A 35 -4.449 1.316 -31.305 1.00 60.45 C ATOM 471 CG GLN A 35 -4.613 2.746 -30.818 1.00 14.10 C ATOM 472 CD GLN A 35 -5.544 3.558 -31.697 1.00 34.32 C ATOM 473 OE1 GLN A 35 -6.262 3.010 -32.534 1.00 72.43 O ATOM 474 NE2 GLN A 35 -5.538 4.873 -31.511 1.00 71.13 N ATOM 0 H GLN A 35 -3.521 -0.825 -30.494 1.00 51.02 H new ATOM 0 HA GLN A 35 -5.580 0.742 -29.570 1.00 41.13 H new ATOM 0 HB2 GLN A 35 -3.398 1.035 -31.235 1.00 60.45 H new ATOM 0 HB3 GLN A 35 -4.722 1.266 -32.359 1.00 60.45 H new ATOM 0 HG2 GLN A 35 -4.998 2.737 -29.798 1.00 14.10 H new ATOM 0 HG3 GLN A 35 -3.636 3.229 -30.786 1.00 14.10 H new ATOM 0 HE21 GLN A 35 -4.927 5.286 -30.806 1.00 71.13 H new ATOM 0 HE22 GLN A 35 -6.144 5.470 -32.073 1.00 71.13 H new ATOM 483 N GLY A 36 -7.666 0.580 -30.922 1.00 21.11 N ATOM 484 CA GLY A 36 -8.926 0.328 -31.598 1.00 73.14 C ATOM 485 C GLY A 36 -9.989 1.350 -31.241 1.00 72.52 C ATOM 486 O GLY A 36 -9.734 2.554 -31.265 1.00 33.25 O ATOM 0 H GLY A 36 -7.718 1.250 -30.154 1.00 21.11 H new ATOM 0 HA2 GLY A 36 -8.765 0.337 -32.676 1.00 73.14 H new ATOM 0 HA3 GLY A 36 -9.282 -0.669 -31.337 1.00 73.14 H new ATOM 490 N MET A 37 -11.182 0.867 -30.913 1.00 61.04 N ATOM 491 CA MET A 37 -12.288 1.748 -30.551 1.00 4.11 C ATOM 492 C MET A 37 -13.135 1.129 -29.444 1.00 2.12 C ATOM 493 O MET A 37 -12.919 -0.018 -29.052 1.00 1.15 O ATOM 494 CB MET A 37 -13.158 2.038 -31.774 1.00 33.54 C ATOM 495 CG MET A 37 -13.659 0.786 -32.475 1.00 5.41 C ATOM 496 SD MET A 37 -15.161 1.078 -33.431 1.00 65.43 S ATOM 497 CE MET A 37 -15.564 -0.589 -33.944 1.00 34.14 C ATOM 0 H MET A 37 -11.409 -0.127 -30.890 1.00 61.04 H new ATOM 0 HA MET A 37 -11.869 2.684 -30.183 1.00 4.11 H new ATOM 0 HB2 MET A 37 -14.014 2.639 -31.466 1.00 33.54 H new ATOM 0 HB3 MET A 37 -12.586 2.637 -32.483 1.00 33.54 H new ATOM 0 HG2 MET A 37 -12.880 0.408 -33.137 1.00 5.41 H new ATOM 0 HG3 MET A 37 -13.850 0.011 -31.733 1.00 5.41 H new ATOM 0 HE1 MET A 37 -16.472 -0.575 -34.546 1.00 34.14 H new ATOM 0 HE2 MET A 37 -14.743 -0.996 -34.535 1.00 34.14 H new ATOM 0 HE3 MET A 37 -15.722 -1.212 -33.064 1.00 34.14 H new ATOM 507 N ARG A 38 -14.100 1.894 -28.945 1.00 34.21 N ATOM 508 CA ARG A 38 -14.979 1.421 -27.883 1.00 43.24 C ATOM 509 C ARG A 38 -16.412 1.891 -28.114 1.00 1.15 C ATOM 510 O ARG A 38 -16.642 2.991 -28.615 1.00 65.20 O ATOM 511 CB ARG A 38 -14.482 1.914 -26.522 1.00 72.41 C ATOM 512 CG ARG A 38 -15.586 2.074 -25.491 1.00 15.32 C ATOM 513 CD ARG A 38 -15.023 2.203 -24.085 1.00 31.01 C ATOM 514 NE ARG A 38 -14.570 3.563 -23.802 1.00 62.30 N ATOM 515 CZ ARG A 38 -13.711 3.864 -22.833 1.00 34.15 C ATOM 516 NH1 ARG A 38 -13.216 2.907 -22.062 1.00 43.43 N ATOM 517 NH2 ARG A 38 -13.347 5.124 -22.637 1.00 51.40 N ATOM 0 H ARG A 38 -14.293 2.845 -29.260 1.00 34.21 H new ATOM 0 HA ARG A 38 -14.966 0.331 -27.893 1.00 43.24 H new ATOM 0 HB2 ARG A 38 -13.739 1.213 -26.141 1.00 72.41 H new ATOM 0 HB3 ARG A 38 -13.978 2.872 -26.654 1.00 72.41 H new ATOM 0 HG2 ARG A 38 -16.181 2.956 -25.728 1.00 15.32 H new ATOM 0 HG3 ARG A 38 -16.256 1.216 -25.538 1.00 15.32 H new ATOM 0 HD2 ARG A 38 -15.786 1.916 -23.361 1.00 31.01 H new ATOM 0 HD3 ARG A 38 -14.191 1.510 -23.962 1.00 31.01 H new ATOM 0 HE ARG A 38 -14.932 4.322 -24.379 1.00 62.30 H new ATOM 0 HH11 ARG A 38 -13.494 1.937 -22.211 1.00 43.43 H new ATOM 0 HH12 ARG A 38 -12.557 3.140 -21.319 1.00 43.43 H new ATOM 0 HH21 ARG A 38 -13.726 5.862 -23.230 1.00 51.40 H new ATOM 0 HH22 ARG A 38 -12.688 5.355 -21.893 1.00 51.40 H new ATOM 531 N GLU A 39 -17.372 1.050 -27.742 1.00 34.53 N ATOM 532 CA GLU A 39 -18.783 1.380 -27.911 1.00 43.32 C ATOM 533 C GLU A 39 -19.469 1.541 -26.557 1.00 64.22 C ATOM 534 O GLU A 39 -19.558 0.593 -25.778 1.00 53.13 O ATOM 535 CB GLU A 39 -19.489 0.296 -28.728 1.00 54.41 C ATOM 536 CG GLU A 39 -19.785 0.708 -30.158 1.00 35.32 C ATOM 537 CD GLU A 39 -21.271 0.741 -30.461 1.00 75.22 C ATOM 538 OE1 GLU A 39 -21.849 -0.338 -30.713 1.00 52.13 O ATOM 539 OE2 GLU A 39 -21.855 1.844 -30.447 1.00 1.33 O ATOM 0 H GLU A 39 -17.199 0.137 -27.322 1.00 34.53 H new ATOM 0 HA GLU A 39 -18.847 2.327 -28.447 1.00 43.32 H new ATOM 0 HB2 GLU A 39 -18.869 -0.601 -28.738 1.00 54.41 H new ATOM 0 HB3 GLU A 39 -20.424 0.032 -28.234 1.00 54.41 H new ATOM 0 HG2 GLU A 39 -19.358 1.694 -30.344 1.00 35.32 H new ATOM 0 HG3 GLU A 39 -19.294 0.014 -30.841 1.00 35.32 H new ATOM 546 N GLY A 40 -19.952 2.750 -26.285 1.00 50.12 N ATOM 547 CA GLY A 40 -20.623 3.014 -25.025 1.00 60.34 C ATOM 548 C GLY A 40 -22.133 3.035 -25.166 1.00 63.12 C ATOM 549 O GLY A 40 -22.662 3.444 -26.200 1.00 71.23 O ATOM 0 H GLY A 40 -19.891 3.551 -26.914 1.00 50.12 H new ATOM 0 HA2 GLY A 40 -20.339 2.252 -24.299 1.00 60.34 H new ATOM 0 HA3 GLY A 40 -20.285 3.972 -24.630 1.00 60.34 H new ATOM 553 N THR A 41 -22.828 2.591 -24.124 1.00 24.11 N ATOM 554 CA THR A 41 -24.286 2.557 -24.136 1.00 71.23 C ATOM 555 C THR A 41 -24.863 3.369 -22.984 1.00 55.32 C ATOM 556 O THR A 41 -24.493 3.175 -21.825 1.00 72.14 O ATOM 557 CB THR A 41 -24.815 1.114 -24.049 1.00 2.44 C ATOM 558 OG1 THR A 41 -26.240 1.122 -23.903 1.00 44.32 O ATOM 559 CG2 THR A 41 -24.185 0.377 -22.876 1.00 74.41 C ATOM 0 H THR A 41 -22.405 2.250 -23.261 1.00 24.11 H new ATOM 0 HA THR A 41 -24.605 2.996 -25.081 1.00 71.23 H new ATOM 0 HB THR A 41 -24.547 0.596 -24.970 1.00 2.44 H new ATOM 0 HG1 THR A 41 -26.569 0.200 -23.850 1.00 44.32 H new ATOM 0 HG21 THR A 41 -24.574 -0.640 -22.834 1.00 74.41 H new ATOM 0 HG22 THR A 41 -23.103 0.347 -23.004 1.00 74.41 H new ATOM 0 HG23 THR A 41 -24.426 0.896 -21.948 1.00 74.41 H new ATOM 567 N CYS A 42 -25.774 4.283 -23.307 1.00 2.23 N ATOM 568 CA CYS A 42 -26.405 5.126 -22.299 1.00 2.35 C ATOM 569 C CYS A 42 -27.925 5.008 -22.363 1.00 22.33 C ATOM 570 O CYS A 42 -28.551 5.453 -23.324 1.00 34.32 O ATOM 571 CB CYS A 42 -25.987 6.585 -22.491 1.00 3.52 C ATOM 572 SG CYS A 42 -26.903 7.764 -21.446 1.00 73.44 S ATOM 0 H CYS A 42 -26.091 4.458 -24.261 1.00 2.23 H new ATOM 0 HA CYS A 42 -26.074 4.786 -21.318 1.00 2.35 H new ATOM 0 HB2 CYS A 42 -24.922 6.678 -22.278 1.00 3.52 H new ATOM 0 HB3 CYS A 42 -26.128 6.858 -23.537 1.00 3.52 H new ATOM 578 N ASN A 43 -28.510 4.404 -21.335 1.00 2.23 N ATOM 579 CA ASN A 43 -29.956 4.226 -21.275 1.00 42.31 C ATOM 580 C ASN A 43 -30.438 3.308 -22.393 1.00 55.42 C ATOM 581 O ASN A 43 -30.634 2.111 -22.186 1.00 30.22 O ATOM 582 CB ASN A 43 -30.662 5.580 -21.371 1.00 51.30 C ATOM 583 CG ASN A 43 -31.130 6.087 -20.019 1.00 24.44 C ATOM 584 OD1 ASN A 43 -32.270 5.855 -19.619 1.00 44.31 O ATOM 585 ND2 ASN A 43 -30.247 6.781 -19.310 1.00 52.41 N ATOM 0 H ASN A 43 -28.005 4.029 -20.532 1.00 2.23 H new ATOM 0 HA ASN A 43 -30.201 3.763 -20.319 1.00 42.31 H new ATOM 0 HB2 ASN A 43 -29.984 6.309 -21.814 1.00 51.30 H new ATOM 0 HB3 ASN A 43 -31.518 5.493 -22.040 1.00 51.30 H new ATOM 0 HD21 ASN A 43 -30.503 7.146 -18.393 1.00 52.41 H new ATOM 0 HD22 ASN A 43 -29.312 6.949 -19.683 1.00 52.41 H new ATOM 592 N GLU A 44 -30.629 3.878 -23.580 1.00 5.32 N ATOM 593 CA GLU A 44 -31.088 3.112 -24.732 1.00 4.42 C ATOM 594 C GLU A 44 -30.451 3.628 -26.018 1.00 15.44 C ATOM 595 O GLU A 44 -31.062 3.578 -27.086 1.00 63.43 O ATOM 596 CB GLU A 44 -32.612 3.178 -24.840 1.00 70.10 C ATOM 597 CG GLU A 44 -33.325 3.083 -23.501 1.00 24.52 C ATOM 598 CD GLU A 44 -34.759 2.609 -23.635 1.00 5.11 C ATOM 599 OE1 GLU A 44 -35.384 2.900 -24.676 1.00 21.23 O ATOM 600 OE2 GLU A 44 -35.256 1.949 -22.698 1.00 45.25 O ATOM 0 H GLU A 44 -30.473 4.868 -23.768 1.00 5.32 H new ATOM 0 HA GLU A 44 -30.786 2.074 -24.591 1.00 4.42 H new ATOM 0 HB2 GLU A 44 -32.893 4.113 -25.325 1.00 70.10 H new ATOM 0 HB3 GLU A 44 -32.957 2.369 -25.483 1.00 70.10 H new ATOM 0 HG2 GLU A 44 -32.780 2.399 -22.851 1.00 24.52 H new ATOM 0 HG3 GLU A 44 -33.313 4.060 -23.017 1.00 24.52 H new ATOM 607 N GLN A 45 -29.224 4.124 -25.907 1.00 24.51 N ATOM 608 CA GLN A 45 -28.505 4.650 -27.061 1.00 65.11 C ATOM 609 C GLN A 45 -27.072 4.130 -27.094 1.00 43.21 C ATOM 610 O GLN A 45 -26.570 3.595 -26.104 1.00 75.50 O ATOM 611 CB GLN A 45 -28.505 6.179 -27.034 1.00 42.01 C ATOM 612 CG GLN A 45 -29.864 6.783 -26.715 1.00 71.43 C ATOM 613 CD GLN A 45 -29.802 8.283 -26.511 1.00 52.23 C ATOM 614 OE1 GLN A 45 -29.399 9.028 -27.404 1.00 2.31 O ATOM 615 NE2 GLN A 45 -30.205 8.737 -25.329 1.00 31.43 N ATOM 0 H GLN A 45 -28.706 4.173 -25.029 1.00 24.51 H new ATOM 0 HA GLN A 45 -29.016 4.309 -27.962 1.00 65.11 H new ATOM 0 HB2 GLN A 45 -27.782 6.521 -26.293 1.00 42.01 H new ATOM 0 HB3 GLN A 45 -28.170 6.551 -28.002 1.00 42.01 H new ATOM 0 HG2 GLN A 45 -30.557 6.559 -27.526 1.00 71.43 H new ATOM 0 HG3 GLN A 45 -30.264 6.314 -25.816 1.00 71.43 H new ATOM 0 HE21 GLN A 45 -30.532 8.084 -24.616 1.00 31.43 H new ATOM 0 HE22 GLN A 45 -30.188 9.738 -25.134 1.00 31.43 H new ATOM 624 N THR A 46 -26.415 4.291 -28.239 1.00 63.12 N ATOM 625 CA THR A 46 -25.040 3.837 -28.402 1.00 21.43 C ATOM 626 C THR A 46 -24.113 5.000 -28.736 1.00 0.35 C ATOM 627 O THR A 46 -24.561 6.054 -29.184 1.00 73.12 O ATOM 628 CB THR A 46 -24.928 2.771 -29.509 1.00 11.23 C ATOM 629 OG1 THR A 46 -25.937 2.988 -30.502 1.00 54.12 O ATOM 630 CG2 THR A 46 -25.071 1.372 -28.930 1.00 12.54 C ATOM 0 H THR A 46 -26.814 4.733 -29.067 1.00 63.12 H new ATOM 0 HA THR A 46 -24.738 3.397 -27.452 1.00 21.43 H new ATOM 0 HB THR A 46 -23.943 2.858 -29.968 1.00 11.23 H new ATOM 0 HG1 THR A 46 -25.858 2.308 -31.203 1.00 54.12 H new ATOM 0 HG21 THR A 46 -24.989 0.637 -29.730 1.00 12.54 H new ATOM 0 HG22 THR A 46 -24.284 1.200 -28.196 1.00 12.54 H new ATOM 0 HG23 THR A 46 -26.044 1.276 -28.448 1.00 12.54 H new ATOM 638 N ARG A 47 -22.818 4.800 -28.514 1.00 20.53 N ATOM 639 CA ARG A 47 -21.826 5.833 -28.791 1.00 14.00 C ATOM 640 C ARG A 47 -20.509 5.214 -29.245 1.00 21.31 C ATOM 641 O ARG A 47 -20.250 4.034 -29.011 1.00 1.41 O ATOM 642 CB ARG A 47 -21.597 6.694 -27.549 1.00 51.44 C ATOM 643 CG ARG A 47 -20.796 7.957 -27.823 1.00 23.53 C ATOM 644 CD ARG A 47 -21.445 8.804 -28.906 1.00 63.52 C ATOM 645 NE ARG A 47 -21.262 10.234 -28.667 1.00 32.13 N ATOM 646 CZ ARG A 47 -21.522 11.170 -29.572 1.00 41.12 C ATOM 647 NH1 ARG A 47 -21.974 10.829 -30.771 1.00 74.22 N ATOM 648 NH2 ARG A 47 -21.330 12.449 -29.279 1.00 11.13 N ATOM 0 H ARG A 47 -22.431 3.932 -28.143 1.00 20.53 H new ATOM 0 HA ARG A 47 -22.207 6.462 -29.596 1.00 14.00 H new ATOM 0 HB2 ARG A 47 -22.563 6.971 -27.126 1.00 51.44 H new ATOM 0 HB3 ARG A 47 -21.078 6.101 -26.796 1.00 51.44 H new ATOM 0 HG2 ARG A 47 -20.709 8.540 -26.906 1.00 23.53 H new ATOM 0 HG3 ARG A 47 -19.784 7.689 -28.127 1.00 23.53 H new ATOM 0 HD2 ARG A 47 -21.020 8.541 -29.875 1.00 63.52 H new ATOM 0 HD3 ARG A 47 -22.510 8.578 -28.953 1.00 63.52 H new ATOM 0 HE ARG A 47 -20.915 10.529 -27.754 1.00 32.13 H new ATOM 0 HH11 ARG A 47 -22.123 9.846 -30.999 1.00 74.22 H new ATOM 0 HH12 ARG A 47 -22.173 11.550 -31.465 1.00 74.22 H new ATOM 0 HH21 ARG A 47 -20.982 12.714 -28.358 1.00 11.13 H new ATOM 0 HH22 ARG A 47 -21.530 13.167 -29.975 1.00 11.13 H new ATOM 662 N LYS A 48 -19.676 6.019 -29.898 1.00 1.05 N ATOM 663 CA LYS A 48 -18.384 5.553 -30.385 1.00 32.24 C ATOM 664 C LYS A 48 -17.253 6.420 -29.845 1.00 2.22 C ATOM 665 O LYS A 48 -17.389 7.639 -29.736 1.00 64.22 O ATOM 666 CB LYS A 48 -18.360 5.560 -31.915 1.00 31.42 C ATOM 667 CG LYS A 48 -19.039 4.353 -32.540 1.00 22.21 C ATOM 668 CD LYS A 48 -19.180 4.509 -34.045 1.00 25.31 C ATOM 669 CE LYS A 48 -20.020 3.393 -34.646 1.00 4.33 C ATOM 670 NZ LYS A 48 -21.075 3.920 -35.555 1.00 12.42 N ATOM 0 H LYS A 48 -19.874 6.999 -30.102 1.00 1.05 H new ATOM 0 HA LYS A 48 -18.237 4.533 -30.030 1.00 32.24 H new ATOM 0 HB2 LYS A 48 -18.848 6.467 -32.273 1.00 31.42 H new ATOM 0 HB3 LYS A 48 -17.325 5.600 -32.254 1.00 31.42 H new ATOM 0 HG2 LYS A 48 -18.462 3.455 -32.319 1.00 22.21 H new ATOM 0 HG3 LYS A 48 -20.024 4.217 -32.094 1.00 22.21 H new ATOM 0 HD2 LYS A 48 -19.638 5.472 -34.270 1.00 25.31 H new ATOM 0 HD3 LYS A 48 -18.192 4.510 -34.506 1.00 25.31 H new ATOM 0 HE2 LYS A 48 -19.374 2.709 -35.197 1.00 4.33 H new ATOM 0 HE3 LYS A 48 -20.485 2.817 -33.846 1.00 4.33 H new ATOM 0 HZ1 LYS A 48 -21.625 3.128 -35.944 1.00 12.42 H new ATOM 0 HZ2 LYS A 48 -21.707 4.553 -35.024 1.00 12.42 H new ATOM 0 HZ3 LYS A 48 -20.631 4.448 -36.333 1.00 12.42 H new ATOM 684 N VAL A 49 -16.135 5.785 -29.506 1.00 61.41 N ATOM 685 CA VAL A 49 -14.979 6.501 -28.979 1.00 41.32 C ATOM 686 C VAL A 49 -13.681 5.786 -29.336 1.00 72.32 C ATOM 687 O VAL A 49 -13.622 4.556 -29.364 1.00 10.33 O ATOM 688 CB VAL A 49 -15.064 6.654 -27.448 1.00 23.55 C ATOM 689 CG1 VAL A 49 -16.294 7.459 -27.060 1.00 4.22 C ATOM 690 CG2 VAL A 49 -15.076 5.289 -26.777 1.00 4.54 C ATOM 0 H VAL A 49 -16.006 4.776 -29.587 1.00 61.41 H new ATOM 0 HA VAL A 49 -14.983 7.490 -29.436 1.00 41.32 H new ATOM 0 HB VAL A 49 -14.182 7.195 -27.104 1.00 23.55 H new ATOM 0 HG11 VAL A 49 -16.338 7.557 -25.975 1.00 4.22 H new ATOM 0 HG12 VAL A 49 -16.238 8.449 -27.512 1.00 4.22 H new ATOM 0 HG13 VAL A 49 -17.190 6.949 -27.415 1.00 4.22 H new ATOM 0 HG21 VAL A 49 -15.136 5.415 -25.696 1.00 4.54 H new ATOM 0 HG22 VAL A 49 -15.939 4.720 -27.125 1.00 4.54 H new ATOM 0 HG23 VAL A 49 -14.162 4.752 -27.029 1.00 4.54 H new ATOM 700 N LYS A 50 -12.639 6.564 -29.608 1.00 64.42 N ATOM 701 CA LYS A 50 -11.339 6.006 -29.962 1.00 74.34 C ATOM 702 C LYS A 50 -10.546 5.637 -28.713 1.00 3.24 C ATOM 703 O LYS A 50 -10.221 6.498 -27.895 1.00 4.44 O ATOM 704 CB LYS A 50 -10.544 7.008 -30.805 1.00 54.12 C ATOM 705 CG LYS A 50 -11.054 7.144 -32.229 1.00 24.34 C ATOM 706 CD LYS A 50 -10.324 6.203 -33.175 1.00 44.33 C ATOM 707 CE LYS A 50 -11.087 6.021 -34.478 1.00 1.11 C ATOM 708 NZ LYS A 50 -11.456 7.327 -35.092 1.00 20.51 N ATOM 0 H LYS A 50 -12.669 7.583 -29.590 1.00 64.42 H new ATOM 0 HA LYS A 50 -11.507 5.100 -30.545 1.00 74.34 H new ATOM 0 HB2 LYS A 50 -10.577 7.984 -30.321 1.00 54.12 H new ATOM 0 HB3 LYS A 50 -9.499 6.700 -30.830 1.00 54.12 H new ATOM 0 HG2 LYS A 50 -12.123 6.931 -32.256 1.00 24.34 H new ATOM 0 HG3 LYS A 50 -10.925 8.173 -32.566 1.00 24.34 H new ATOM 0 HD2 LYS A 50 -9.330 6.597 -33.386 1.00 44.33 H new ATOM 0 HD3 LYS A 50 -10.188 5.235 -32.693 1.00 44.33 H new ATOM 0 HE2 LYS A 50 -10.478 5.449 -35.179 1.00 1.11 H new ATOM 0 HE3 LYS A 50 -11.990 5.439 -34.292 1.00 1.11 H new ATOM 0 HZ1 LYS A 50 -11.805 7.170 -36.059 1.00 20.51 H new ATOM 0 HZ2 LYS A 50 -12.201 7.779 -34.524 1.00 20.51 H new ATOM 0 HZ3 LYS A 50 -10.620 7.945 -35.122 1.00 20.51 H new ATOM 722 N CYS A 51 -10.238 4.351 -28.571 1.00 34.40 N ATOM 723 CA CYS A 51 -9.484 3.867 -27.423 1.00 41.35 C ATOM 724 C CYS A 51 -8.497 2.780 -27.839 1.00 2.33 C ATOM 725 O CYS A 51 -8.514 2.316 -28.980 1.00 42.41 O ATOM 726 CB CYS A 51 -10.434 3.327 -26.353 1.00 32.13 C ATOM 727 SG CYS A 51 -11.081 1.661 -26.706 1.00 41.31 S ATOM 0 H CYS A 51 -10.500 3.626 -29.239 1.00 34.40 H new ATOM 0 HA CYS A 51 -8.922 4.705 -27.010 1.00 41.35 H new ATOM 0 HB2 CYS A 51 -9.913 3.307 -25.396 1.00 32.13 H new ATOM 0 HB3 CYS A 51 -11.272 4.015 -26.246 1.00 32.13 H new ATOM 733 N ARG A 52 -7.640 2.378 -26.906 1.00 32.43 N ATOM 734 CA ARG A 52 -6.646 1.346 -27.176 1.00 62.12 C ATOM 735 C ARG A 52 -6.650 0.287 -26.078 1.00 15.24 C ATOM 736 O ARG A 52 -6.816 0.601 -24.899 1.00 25.31 O ATOM 737 CB ARG A 52 -5.253 1.968 -27.294 1.00 2.41 C ATOM 738 CG ARG A 52 -4.573 2.196 -25.953 1.00 71.25 C ATOM 739 CD ARG A 52 -5.344 3.188 -25.099 1.00 0.35 C ATOM 740 NE ARG A 52 -4.457 4.106 -24.391 1.00 2.51 N ATOM 741 CZ ARG A 52 -4.841 4.851 -23.359 1.00 51.03 C ATOM 742 NH1 ARG A 52 -6.090 4.785 -22.918 1.00 61.44 N ATOM 743 NH2 ARG A 52 -3.975 5.663 -22.767 1.00 65.11 N ATOM 0 H ARG A 52 -7.614 2.751 -25.957 1.00 32.43 H new ATOM 0 HA ARG A 52 -6.904 0.867 -28.120 1.00 62.12 H new ATOM 0 HB2 ARG A 52 -4.625 1.319 -27.905 1.00 2.41 H new ATOM 0 HB3 ARG A 52 -5.333 2.920 -27.818 1.00 2.41 H new ATOM 0 HG2 ARG A 52 -4.486 1.248 -25.422 1.00 71.25 H new ATOM 0 HG3 ARG A 52 -3.560 2.564 -26.116 1.00 71.25 H new ATOM 0 HD2 ARG A 52 -6.025 3.758 -25.731 1.00 0.35 H new ATOM 0 HD3 ARG A 52 -5.956 2.646 -24.378 1.00 0.35 H new ATOM 0 HE ARG A 52 -3.489 4.180 -24.705 1.00 2.51 H new ATOM 0 HH11 ARG A 52 -6.758 4.162 -23.371 1.00 61.44 H new ATOM 0 HH12 ARG A 52 -6.382 5.358 -22.126 1.00 61.44 H new ATOM 0 HH21 ARG A 52 -3.014 5.716 -23.104 1.00 65.11 H new ATOM 0 HH22 ARG A 52 -4.271 6.234 -21.975 1.00 65.11 H new ATOM 757 N VAL A 53 -6.469 -0.969 -26.473 1.00 23.14 N ATOM 758 CA VAL A 53 -6.452 -2.075 -25.524 1.00 5.22 C ATOM 759 C VAL A 53 -5.040 -2.624 -25.345 1.00 35.54 C ATOM 760 O VAL A 53 -4.597 -3.514 -26.073 1.00 31.13 O ATOM 761 CB VAL A 53 -7.383 -3.217 -25.974 1.00 5.00 C ATOM 762 CG1 VAL A 53 -7.565 -4.230 -24.855 1.00 21.22 C ATOM 763 CG2 VAL A 53 -8.724 -2.663 -26.427 1.00 54.22 C ATOM 0 H VAL A 53 -6.332 -1.246 -27.445 1.00 23.14 H new ATOM 0 HA VAL A 53 -6.809 -1.681 -24.572 1.00 5.22 H new ATOM 0 HB VAL A 53 -6.922 -3.726 -26.820 1.00 5.00 H new ATOM 0 HG11 VAL A 53 -8.226 -5.029 -25.191 1.00 21.22 H new ATOM 0 HG12 VAL A 53 -6.597 -4.650 -24.583 1.00 21.22 H new ATOM 0 HG13 VAL A 53 -8.004 -3.738 -23.987 1.00 21.22 H new ATOM 0 HG21 VAL A 53 -9.369 -3.483 -26.741 1.00 54.22 H new ATOM 0 HG22 VAL A 53 -9.194 -2.128 -25.602 1.00 54.22 H new ATOM 0 HG23 VAL A 53 -8.572 -1.980 -27.263 1.00 54.22 H new ATOM 773 N PRO A 54 -4.316 -2.085 -24.355 1.00 53.02 N ATOM 774 CA PRO A 54 -2.944 -2.505 -24.057 1.00 44.10 C ATOM 775 C PRO A 54 -2.884 -3.911 -23.467 1.00 41.41 C ATOM 776 O PRO A 54 -3.722 -4.286 -22.647 1.00 22.24 O ATOM 777 CB PRO A 54 -2.471 -1.474 -23.031 1.00 44.21 C ATOM 778 CG PRO A 54 -3.720 -0.984 -22.384 1.00 51.35 C ATOM 779 CD PRO A 54 -4.780 -1.020 -23.448 1.00 35.21 C ATOM 0 HA PRO A 54 -2.327 -2.546 -24.954 1.00 44.10 H new ATOM 0 HB2 PRO A 54 -1.797 -1.922 -22.301 1.00 44.21 H new ATOM 0 HB3 PRO A 54 -1.927 -0.660 -23.510 1.00 44.21 H new ATOM 0 HG2 PRO A 54 -3.995 -1.615 -21.538 1.00 51.35 H new ATOM 0 HG3 PRO A 54 -3.589 0.027 -21.998 1.00 51.35 H new ATOM 0 HD2 PRO A 54 -5.761 -1.247 -23.031 1.00 35.21 H new ATOM 0 HD3 PRO A 54 -4.866 -0.063 -23.962 1.00 35.21 H new ATOM 787 N CYS A 55 -1.888 -4.682 -23.888 1.00 33.25 N ATOM 788 CA CYS A 55 -1.718 -6.047 -23.403 1.00 13.55 C ATOM 789 C CYS A 55 -0.966 -6.061 -22.075 1.00 30.23 C ATOM 790 O CYS A 55 -0.114 -5.211 -21.824 1.00 62.11 O ATOM 791 CB CYS A 55 -0.969 -6.889 -24.435 1.00 31.52 C ATOM 792 SG CYS A 55 -1.451 -6.555 -26.160 1.00 12.42 S ATOM 0 H CYS A 55 -1.185 -4.385 -24.565 1.00 33.25 H new ATOM 0 HA CYS A 55 -2.708 -6.476 -23.246 1.00 13.55 H new ATOM 0 HB2 CYS A 55 0.101 -6.710 -24.327 1.00 31.52 H new ATOM 0 HB3 CYS A 55 -1.139 -7.944 -24.219 1.00 31.52 H new ATOM 798 N ASN A 56 -1.288 -7.035 -21.229 1.00 11.15 N ATOM 799 CA ASN A 56 -0.642 -7.160 -19.927 1.00 14.43 C ATOM 800 C ASN A 56 -0.951 -5.951 -19.049 1.00 3.20 C ATOM 801 O ASN A 56 -0.048 -5.211 -18.657 1.00 4.02 O ATOM 802 CB ASN A 56 0.871 -7.310 -20.097 1.00 35.01 C ATOM 803 CG ASN A 56 1.235 -8.310 -21.178 1.00 25.11 C ATOM 804 OD1 ASN A 56 1.688 -7.933 -22.258 1.00 71.32 O ATOM 805 ND2 ASN A 56 1.038 -9.591 -20.889 1.00 62.14 N ATOM 0 H ASN A 56 -1.991 -7.748 -21.421 1.00 11.15 H new ATOM 0 HA ASN A 56 -1.035 -8.051 -19.438 1.00 14.43 H new ATOM 0 HB2 ASN A 56 1.304 -6.340 -20.342 1.00 35.01 H new ATOM 0 HB3 ASN A 56 1.311 -7.626 -19.151 1.00 35.01 H new ATOM 0 HD21 ASN A 56 1.265 -10.310 -21.576 1.00 62.14 H new ATOM 0 HD22 ASN A 56 0.660 -9.856 -19.980 1.00 62.14 H new ATOM 812 N TRP A 57 -2.229 -5.759 -18.743 1.00 61.44 N ATOM 813 CA TRP A 57 -2.655 -4.640 -17.911 1.00 41.14 C ATOM 814 C TRP A 57 -1.854 -4.590 -16.615 1.00 53.22 C ATOM 815 O TRP A 57 -1.468 -3.516 -16.151 1.00 70.40 O ATOM 816 CB TRP A 57 -4.148 -4.750 -17.598 1.00 70.14 C ATOM 817 CG TRP A 57 -5.021 -4.577 -18.805 1.00 5.15 C ATOM 818 CD1 TRP A 57 -5.544 -3.407 -19.278 1.00 1.12 C ATOM 819 CD2 TRP A 57 -5.475 -5.607 -19.690 1.00 4.41 C ATOM 820 NE1 TRP A 57 -6.295 -3.648 -20.402 1.00 73.53 N ATOM 821 CE2 TRP A 57 -6.267 -4.990 -20.676 1.00 10.41 C ATOM 822 CE3 TRP A 57 -5.288 -6.991 -19.744 1.00 63.05 C ATOM 823 CZ2 TRP A 57 -6.873 -5.710 -21.703 1.00 70.45 C ATOM 824 CZ3 TRP A 57 -5.889 -7.704 -20.764 1.00 63.41 C ATOM 825 CH2 TRP A 57 -6.671 -7.063 -21.733 1.00 54.01 C ATOM 0 H TRP A 57 -2.988 -6.363 -19.058 1.00 61.44 H new ATOM 0 HA TRP A 57 -2.474 -3.718 -18.464 1.00 41.14 H new ATOM 0 HB2 TRP A 57 -4.348 -5.724 -17.150 1.00 70.14 H new ATOM 0 HB3 TRP A 57 -4.413 -3.997 -16.855 1.00 70.14 H new ATOM 0 HD1 TRP A 57 -5.389 -2.435 -18.833 1.00 1.12 H new ATOM 0 HE1 TRP A 57 -6.793 -2.942 -20.945 1.00 73.53 H new ATOM 0 HE3 TRP A 57 -4.685 -7.494 -19.002 1.00 63.05 H new ATOM 0 HZ2 TRP A 57 -7.480 -5.218 -22.449 1.00 70.45 H new ATOM 0 HZ3 TRP A 57 -5.753 -8.774 -20.815 1.00 63.41 H new ATOM 0 HH2 TRP A 57 -7.124 -7.648 -22.520 1.00 54.01 H new ATOM 836 N LYS A 58 -1.606 -5.758 -16.031 1.00 15.12 N ATOM 837 CA LYS A 58 -0.849 -5.849 -14.789 1.00 40.22 C ATOM 838 C LYS A 58 0.518 -5.187 -14.935 1.00 52.41 C ATOM 839 O LYS A 58 0.879 -4.717 -16.014 1.00 45.13 O ATOM 840 CB LYS A 58 -0.679 -7.313 -14.377 1.00 14.04 C ATOM 841 CG LYS A 58 -0.943 -7.565 -12.902 1.00 42.14 C ATOM 842 CD LYS A 58 0.257 -8.204 -12.224 1.00 51.12 C ATOM 843 CE LYS A 58 0.080 -8.257 -10.713 1.00 20.51 C ATOM 844 NZ LYS A 58 -0.908 -9.296 -10.308 1.00 44.42 N ATOM 0 H LYS A 58 -1.919 -6.656 -16.399 1.00 15.12 H new ATOM 0 HA LYS A 58 -1.406 -5.323 -14.014 1.00 40.22 H new ATOM 0 HB2 LYS A 58 -1.356 -7.929 -14.969 1.00 14.04 H new ATOM 0 HB3 LYS A 58 0.335 -7.633 -14.616 1.00 14.04 H new ATOM 0 HG2 LYS A 58 -1.183 -6.623 -12.408 1.00 42.14 H new ATOM 0 HG3 LYS A 58 -1.812 -8.213 -12.792 1.00 42.14 H new ATOM 0 HD2 LYS A 58 0.400 -9.213 -12.610 1.00 51.12 H new ATOM 0 HD3 LYS A 58 1.157 -7.639 -12.467 1.00 51.12 H new ATOM 0 HE2 LYS A 58 1.040 -8.465 -10.242 1.00 20.51 H new ATOM 0 HE3 LYS A 58 -0.248 -7.283 -10.351 1.00 20.51 H new ATOM 0 HZ1 LYS A 58 -1.001 -9.302 -9.272 1.00 44.42 H new ATOM 0 HZ2 LYS A 58 -1.831 -9.083 -10.737 1.00 44.42 H new ATOM 0 HZ3 LYS A 58 -0.582 -10.229 -10.631 1.00 44.42 H new ATOM 858 N LYS A 59 1.274 -5.157 -13.843 1.00 74.41 N ATOM 859 CA LYS A 59 2.602 -4.556 -13.849 1.00 40.33 C ATOM 860 C LYS A 59 3.320 -4.809 -12.526 1.00 53.12 C ATOM 861 O LYS A 59 2.822 -5.540 -11.671 1.00 25.41 O ATOM 862 CB LYS A 59 2.504 -3.051 -14.107 1.00 52.20 C ATOM 863 CG LYS A 59 1.658 -2.312 -13.084 1.00 42.34 C ATOM 864 CD LYS A 59 2.234 -0.940 -12.772 1.00 34.02 C ATOM 865 CE LYS A 59 1.472 -0.260 -11.646 1.00 23.31 C ATOM 866 NZ LYS A 59 0.687 0.909 -12.132 1.00 31.33 N ATOM 0 H LYS A 59 0.989 -5.542 -12.942 1.00 74.41 H new ATOM 0 HA LYS A 59 3.178 -5.019 -14.650 1.00 40.33 H new ATOM 0 HB2 LYS A 59 3.508 -2.626 -14.112 1.00 52.20 H new ATOM 0 HB3 LYS A 59 2.084 -2.888 -15.099 1.00 52.20 H new ATOM 0 HG2 LYS A 59 0.641 -2.204 -13.461 1.00 42.34 H new ATOM 0 HG3 LYS A 59 1.597 -2.899 -12.168 1.00 42.34 H new ATOM 0 HD2 LYS A 59 3.283 -1.039 -12.495 1.00 34.02 H new ATOM 0 HD3 LYS A 59 2.198 -0.317 -13.666 1.00 34.02 H new ATOM 0 HE2 LYS A 59 0.800 -0.979 -11.177 1.00 23.31 H new ATOM 0 HE3 LYS A 59 2.174 0.068 -10.879 1.00 23.31 H new ATOM 0 HZ1 LYS A 59 0.182 1.344 -11.334 1.00 31.33 H new ATOM 0 HZ2 LYS A 59 1.331 1.607 -12.557 1.00 31.33 H new ATOM 0 HZ3 LYS A 59 -0.001 0.593 -12.845 1.00 31.33 H new ATOM 880 N GLU A 60 4.489 -4.198 -12.366 1.00 62.44 N ATOM 881 CA GLU A 60 5.274 -4.357 -11.148 1.00 3.41 C ATOM 882 C GLU A 60 5.710 -5.809 -10.968 1.00 40.31 C ATOM 883 O GLU A 60 5.559 -6.631 -11.871 1.00 51.34 O ATOM 884 CB GLU A 60 4.466 -3.902 -9.931 1.00 52.41 C ATOM 885 CG GLU A 60 5.195 -2.895 -9.058 1.00 1.31 C ATOM 886 CD GLU A 60 5.600 -3.474 -7.716 1.00 65.44 C ATOM 887 OE1 GLU A 60 6.647 -4.153 -7.654 1.00 10.33 O ATOM 888 OE2 GLU A 60 4.872 -3.248 -6.728 1.00 21.15 O ATOM 0 H GLU A 60 4.914 -3.588 -13.065 1.00 62.44 H new ATOM 0 HA GLU A 60 6.165 -3.736 -11.237 1.00 3.41 H new ATOM 0 HB2 GLU A 60 3.528 -3.463 -10.272 1.00 52.41 H new ATOM 0 HB3 GLU A 60 4.210 -4.774 -9.329 1.00 52.41 H new ATOM 0 HG2 GLU A 60 6.084 -2.542 -9.581 1.00 1.31 H new ATOM 0 HG3 GLU A 60 4.555 -2.028 -8.897 1.00 1.31 H new ATOM 895 N PHE A 61 6.252 -6.116 -9.793 1.00 31.31 N ATOM 896 CA PHE A 61 6.712 -7.467 -9.495 1.00 64.02 C ATOM 897 C PHE A 61 7.852 -7.872 -10.425 1.00 64.00 C ATOM 898 O PHE A 61 7.632 -8.188 -11.593 1.00 31.34 O ATOM 899 CB PHE A 61 5.557 -8.462 -9.622 1.00 65.21 C ATOM 900 CG PHE A 61 5.846 -9.798 -8.997 1.00 53.34 C ATOM 901 CD1 PHE A 61 6.005 -9.916 -7.626 1.00 33.23 C ATOM 902 CD2 PHE A 61 5.957 -10.934 -9.783 1.00 42.11 C ATOM 903 CE1 PHE A 61 6.270 -11.145 -7.051 1.00 45.41 C ATOM 904 CE2 PHE A 61 6.221 -12.165 -9.211 1.00 74.31 C ATOM 905 CZ PHE A 61 6.379 -12.270 -7.844 1.00 13.31 C ATOM 0 H PHE A 61 6.383 -5.448 -9.033 1.00 31.31 H new ATOM 0 HA PHE A 61 7.082 -7.479 -8.470 1.00 64.02 H new ATOM 0 HB2 PHE A 61 4.668 -8.036 -9.156 1.00 65.21 H new ATOM 0 HB3 PHE A 61 5.326 -8.606 -10.677 1.00 65.21 H new ATOM 0 HD1 PHE A 61 5.921 -9.040 -7.000 1.00 33.23 H new ATOM 0 HD2 PHE A 61 5.836 -10.857 -10.853 1.00 42.11 H new ATOM 0 HE1 PHE A 61 6.392 -11.225 -5.981 1.00 45.41 H new ATOM 0 HE2 PHE A 61 6.303 -13.044 -9.834 1.00 74.31 H new ATOM 0 HZ PHE A 61 6.587 -13.230 -7.396 1.00 13.31 H new ATOM 915 N GLY A 62 9.073 -7.859 -9.896 1.00 32.32 N ATOM 916 CA GLY A 62 10.230 -8.227 -10.693 1.00 42.11 C ATOM 917 C GLY A 62 11.523 -8.145 -9.907 1.00 73.21 C ATOM 918 O GLY A 62 12.349 -7.265 -10.148 1.00 31.41 O ATOM 0 H GLY A 62 9.281 -7.601 -8.931 1.00 32.32 H new ATOM 0 HA2 GLY A 62 10.101 -9.242 -11.069 1.00 42.11 H new ATOM 0 HA3 GLY A 62 10.293 -7.571 -11.561 1.00 42.11 H new ATOM 922 N ALA A 63 11.698 -9.064 -8.963 1.00 63.44 N ATOM 923 CA ALA A 63 12.901 -9.092 -8.140 1.00 11.13 C ATOM 924 C ALA A 63 12.946 -7.899 -7.191 1.00 2.13 C ATOM 925 O ALA A 63 12.669 -8.033 -5.999 1.00 44.14 O ATOM 926 CB ALA A 63 14.143 -9.117 -9.019 1.00 75.32 C ATOM 0 H ALA A 63 11.023 -9.798 -8.749 1.00 63.44 H new ATOM 0 HA ALA A 63 12.877 -10.001 -7.538 1.00 11.13 H new ATOM 0 HB1 ALA A 63 15.033 -9.138 -8.390 1.00 75.32 H new ATOM 0 HB2 ALA A 63 14.124 -10.005 -9.651 1.00 75.32 H new ATOM 0 HB3 ALA A 63 14.163 -8.226 -9.647 1.00 75.32 H new ATOM 932 N ASP A 64 13.296 -6.737 -7.727 1.00 54.40 N ATOM 933 CA ASP A 64 13.375 -5.519 -6.927 1.00 23.40 C ATOM 934 C ASP A 64 13.666 -4.309 -7.808 1.00 23.30 C ATOM 935 O ASP A 64 12.803 -3.454 -8.013 1.00 63.52 O ATOM 936 CB ASP A 64 14.458 -5.659 -5.855 1.00 75.22 C ATOM 937 CG ASP A 64 13.877 -5.811 -4.464 1.00 5.12 C ATOM 938 OD1 ASP A 64 13.365 -4.810 -3.921 1.00 12.33 O ATOM 939 OD2 ASP A 64 13.935 -6.933 -3.915 1.00 34.52 O ATOM 0 H ASP A 64 13.530 -6.611 -8.712 1.00 54.40 H new ATOM 0 HA ASP A 64 12.411 -5.368 -6.441 1.00 23.40 H new ATOM 0 HB2 ASP A 64 15.081 -6.524 -6.082 1.00 75.22 H new ATOM 0 HB3 ASP A 64 15.107 -4.784 -5.881 1.00 75.22 H new ATOM 944 N CYS A 65 14.889 -4.240 -8.326 1.00 25.12 N ATOM 945 CA CYS A 65 15.296 -3.133 -9.183 1.00 25.52 C ATOM 946 C CYS A 65 16.289 -3.603 -10.242 1.00 33.13 C ATOM 947 O CYS A 65 17.246 -4.317 -9.941 1.00 53.21 O ATOM 948 CB CYS A 65 15.918 -2.015 -8.346 1.00 65.41 C ATOM 949 SG CYS A 65 14.704 -0.977 -7.470 1.00 42.30 S ATOM 0 H CYS A 65 15.615 -4.938 -8.167 1.00 25.12 H new ATOM 0 HA CYS A 65 14.408 -2.750 -9.686 1.00 25.52 H new ATOM 0 HB2 CYS A 65 16.596 -2.457 -7.616 1.00 65.41 H new ATOM 0 HB3 CYS A 65 16.520 -1.381 -8.997 1.00 65.41 H new ATOM 955 N LYS A 66 16.054 -3.199 -11.486 1.00 45.21 N ATOM 956 CA LYS A 66 16.927 -3.577 -12.592 1.00 13.44 C ATOM 957 C LYS A 66 18.161 -2.680 -12.641 1.00 33.31 C ATOM 958 O LYS A 66 18.090 -1.494 -12.320 1.00 63.44 O ATOM 959 CB LYS A 66 16.168 -3.492 -13.918 1.00 64.41 C ATOM 960 CG LYS A 66 15.729 -4.842 -14.455 1.00 24.33 C ATOM 961 CD LYS A 66 15.198 -4.735 -15.875 1.00 42.20 C ATOM 962 CE LYS A 66 15.962 -5.639 -16.828 1.00 5.01 C ATOM 963 NZ LYS A 66 15.082 -6.197 -17.891 1.00 11.23 N ATOM 0 H LYS A 66 15.266 -2.609 -11.754 1.00 45.21 H new ATOM 0 HA LYS A 66 17.253 -4.605 -12.432 1.00 13.44 H new ATOM 0 HB2 LYS A 66 15.290 -2.861 -13.784 1.00 64.41 H new ATOM 0 HB3 LYS A 66 16.801 -3.004 -14.659 1.00 64.41 H new ATOM 0 HG2 LYS A 66 16.571 -5.534 -14.432 1.00 24.33 H new ATOM 0 HG3 LYS A 66 14.957 -5.258 -13.808 1.00 24.33 H new ATOM 0 HD2 LYS A 66 14.141 -5.001 -15.890 1.00 42.20 H new ATOM 0 HD3 LYS A 66 15.272 -3.702 -16.215 1.00 42.20 H new ATOM 0 HE2 LYS A 66 16.775 -5.077 -17.288 1.00 5.01 H new ATOM 0 HE3 LYS A 66 16.416 -6.456 -16.267 1.00 5.01 H new ATOM 0 HZ1 LYS A 66 15.642 -6.808 -18.520 1.00 11.23 H new ATOM 0 HZ2 LYS A 66 14.321 -6.755 -17.454 1.00 11.23 H new ATOM 0 HZ3 LYS A 66 14.668 -5.419 -18.443 1.00 11.23 H new ATOM 977 N TYR A 67 19.288 -3.255 -13.047 1.00 35.13 N ATOM 978 CA TYR A 67 20.536 -2.508 -13.137 1.00 33.22 C ATOM 979 C TYR A 67 21.310 -2.891 -14.395 1.00 13.03 C ATOM 980 O TYR A 67 20.950 -3.838 -15.096 1.00 34.12 O ATOM 981 CB TYR A 67 21.398 -2.762 -11.899 1.00 11.45 C ATOM 982 CG TYR A 67 20.931 -2.010 -10.673 1.00 23.30 C ATOM 983 CD1 TYR A 67 19.821 -2.435 -9.953 1.00 12.24 C ATOM 984 CD2 TYR A 67 21.602 -0.876 -10.233 1.00 52.21 C ATOM 985 CE1 TYR A 67 19.392 -1.752 -8.832 1.00 13.43 C ATOM 986 CE2 TYR A 67 21.180 -0.187 -9.113 1.00 52.32 C ATOM 987 CZ TYR A 67 20.074 -0.627 -8.416 1.00 74.52 C ATOM 988 OH TYR A 67 19.651 0.056 -7.299 1.00 34.43 O ATOM 0 H TYR A 67 19.362 -4.235 -13.319 1.00 35.13 H new ATOM 0 HA TYR A 67 20.291 -1.447 -13.190 1.00 33.22 H new ATOM 0 HB2 TYR A 67 21.401 -3.830 -11.681 1.00 11.45 H new ATOM 0 HB3 TYR A 67 22.427 -2.479 -12.119 1.00 11.45 H new ATOM 0 HD1 TYR A 67 19.284 -3.315 -10.276 1.00 12.24 H new ATOM 0 HD2 TYR A 67 22.468 -0.527 -10.776 1.00 52.21 H new ATOM 0 HE1 TYR A 67 18.527 -2.097 -8.284 1.00 13.43 H new ATOM 0 HE2 TYR A 67 21.714 0.693 -8.784 1.00 52.32 H new ATOM 0 HH TYR A 67 20.040 0.955 -7.298 1.00 34.43 H new ATOM 998 N LYS A 68 22.376 -2.148 -14.675 1.00 3.02 N ATOM 999 CA LYS A 68 23.203 -2.409 -15.847 1.00 73.43 C ATOM 1000 C LYS A 68 24.594 -2.883 -15.436 1.00 51.42 C ATOM 1001 O LYS A 68 25.457 -2.077 -15.089 1.00 41.34 O ATOM 1002 CB LYS A 68 23.315 -1.148 -16.708 1.00 30.02 C ATOM 1003 CG LYS A 68 22.971 -1.377 -18.169 1.00 22.41 C ATOM 1004 CD LYS A 68 23.889 -0.588 -19.087 1.00 20.43 C ATOM 1005 CE LYS A 68 23.709 -1.000 -20.542 1.00 54.05 C ATOM 1006 NZ LYS A 68 22.674 -0.176 -21.226 1.00 13.33 N ATOM 0 H LYS A 68 22.687 -1.361 -14.106 1.00 3.02 H new ATOM 0 HA LYS A 68 22.727 -3.198 -16.429 1.00 73.43 H new ATOM 0 HB2 LYS A 68 22.653 -0.382 -16.303 1.00 30.02 H new ATOM 0 HB3 LYS A 68 24.331 -0.760 -16.639 1.00 30.02 H new ATOM 0 HG2 LYS A 68 23.049 -2.439 -18.400 1.00 22.41 H new ATOM 0 HG3 LYS A 68 21.936 -1.087 -18.350 1.00 22.41 H new ATOM 0 HD2 LYS A 68 23.684 0.477 -18.981 1.00 20.43 H new ATOM 0 HD3 LYS A 68 24.926 -0.744 -18.789 1.00 20.43 H new ATOM 0 HE2 LYS A 68 24.659 -0.901 -21.068 1.00 54.05 H new ATOM 0 HE3 LYS A 68 23.426 -2.052 -20.590 1.00 54.05 H new ATOM 0 HZ1 LYS A 68 22.580 -0.486 -22.214 1.00 13.33 H new ATOM 0 HZ2 LYS A 68 21.762 -0.290 -20.739 1.00 13.33 H new ATOM 0 HZ3 LYS A 68 22.956 0.825 -21.203 1.00 13.33 H new ATOM 1020 N PHE A 69 24.804 -4.195 -15.480 1.00 74.14 N ATOM 1021 CA PHE A 69 26.091 -4.774 -15.114 1.00 60.31 C ATOM 1022 C PHE A 69 27.015 -4.857 -16.325 1.00 42.13 C ATOM 1023 O PHE A 69 26.621 -5.326 -17.390 1.00 33.50 O ATOM 1024 CB PHE A 69 25.893 -6.168 -14.515 1.00 64.12 C ATOM 1025 CG PHE A 69 24.985 -6.182 -13.317 1.00 32.53 C ATOM 1026 CD1 PHE A 69 25.281 -5.423 -12.198 1.00 2.41 C ATOM 1027 CD2 PHE A 69 23.836 -6.956 -13.314 1.00 4.52 C ATOM 1028 CE1 PHE A 69 24.447 -5.434 -11.095 1.00 63.52 C ATOM 1029 CE2 PHE A 69 22.997 -6.970 -12.214 1.00 62.40 C ATOM 1030 CZ PHE A 69 23.305 -6.209 -11.102 1.00 20.54 C ATOM 0 H PHE A 69 24.100 -4.876 -15.765 1.00 74.14 H new ATOM 0 HA PHE A 69 26.554 -4.126 -14.369 1.00 60.31 H new ATOM 0 HB2 PHE A 69 25.483 -6.828 -15.279 1.00 64.12 H new ATOM 0 HB3 PHE A 69 26.864 -6.574 -14.230 1.00 64.12 H new ATOM 0 HD1 PHE A 69 26.174 -4.815 -12.186 1.00 2.41 H new ATOM 0 HD2 PHE A 69 23.593 -7.555 -14.179 1.00 4.52 H new ATOM 0 HE1 PHE A 69 24.689 -4.836 -10.229 1.00 63.52 H new ATOM 0 HE2 PHE A 69 22.102 -7.575 -12.224 1.00 62.40 H new ATOM 0 HZ PHE A 69 22.654 -6.221 -10.241 1.00 20.54 H new ATOM 1040 N GLY A 70 28.250 -4.395 -16.152 1.00 60.42 N ATOM 1041 CA GLY A 70 29.212 -4.423 -17.237 1.00 33.50 C ATOM 1042 C GLY A 70 29.371 -5.807 -17.835 1.00 4.21 C ATOM 1043 O GLY A 70 28.758 -6.125 -18.854 1.00 42.32 O ATOM 0 H GLY A 70 28.601 -4.002 -15.279 1.00 60.42 H new ATOM 0 HA2 GLY A 70 28.897 -3.728 -18.016 1.00 33.50 H new ATOM 0 HA3 GLY A 70 30.178 -4.075 -16.871 1.00 33.50 H new ATOM 1047 N ASN A 71 30.198 -6.633 -17.201 1.00 51.23 N ATOM 1048 CA ASN A 71 30.436 -7.990 -17.678 1.00 61.13 C ATOM 1049 C ASN A 71 31.083 -8.842 -16.590 1.00 25.24 C ATOM 1050 O ASN A 71 31.846 -9.765 -16.881 1.00 52.41 O ATOM 1051 CB ASN A 71 31.330 -7.966 -18.920 1.00 4.32 C ATOM 1052 CG ASN A 71 31.297 -9.279 -19.680 1.00 45.23 C ATOM 1053 OD1 ASN A 71 32.275 -10.026 -19.693 1.00 44.15 O ATOM 1054 ND2 ASN A 71 30.169 -9.564 -20.319 1.00 72.14 N ATOM 0 H ASN A 71 30.714 -6.386 -16.356 1.00 51.23 H new ATOM 0 HA ASN A 71 29.474 -8.432 -17.938 1.00 61.13 H new ATOM 0 HB2 ASN A 71 31.010 -7.159 -19.579 1.00 4.32 H new ATOM 0 HB3 ASN A 71 32.355 -7.747 -18.622 1.00 4.32 H new ATOM 0 HD21 ASN A 71 30.088 -10.432 -20.848 1.00 72.14 H new ATOM 0 HD22 ASN A 71 29.383 -8.915 -20.281 1.00 72.14 H new ATOM 1061 N TRP A 72 30.771 -8.529 -15.338 1.00 45.21 N ATOM 1062 CA TRP A 72 31.321 -9.268 -14.206 1.00 45.54 C ATOM 1063 C TRP A 72 32.829 -9.064 -14.104 1.00 23.24 C ATOM 1064 O TRP A 72 33.568 -9.366 -15.040 1.00 61.33 O ATOM 1065 CB TRP A 72 31.001 -10.758 -14.339 1.00 52.21 C ATOM 1066 CG TRP A 72 29.602 -11.026 -14.803 1.00 52.44 C ATOM 1067 CD1 TRP A 72 29.190 -11.230 -16.089 1.00 71.32 C ATOM 1068 CD2 TRP A 72 28.431 -11.117 -13.985 1.00 5.45 C ATOM 1069 NE1 TRP A 72 27.833 -11.443 -16.119 1.00 42.05 N ATOM 1070 CE2 TRP A 72 27.344 -11.379 -14.842 1.00 14.34 C ATOM 1071 CE3 TRP A 72 28.194 -11.005 -12.611 1.00 74.15 C ATOM 1072 CZ2 TRP A 72 26.043 -11.529 -14.369 1.00 0.30 C ATOM 1073 CZ3 TRP A 72 26.902 -11.154 -12.144 1.00 73.35 C ATOM 1074 CH2 TRP A 72 25.840 -11.414 -13.020 1.00 50.02 C ATOM 0 H TRP A 72 30.141 -7.769 -15.080 1.00 45.21 H new ATOM 0 HA TRP A 72 30.860 -8.886 -13.295 1.00 45.54 H new ATOM 0 HB2 TRP A 72 31.702 -11.212 -15.040 1.00 52.21 H new ATOM 0 HB3 TRP A 72 31.156 -11.243 -13.375 1.00 52.21 H new ATOM 0 HD1 TRP A 72 29.836 -11.225 -16.955 1.00 71.32 H new ATOM 0 HE1 TRP A 72 27.279 -11.620 -16.957 1.00 42.05 H new ATOM 0 HE3 TRP A 72 29.006 -10.806 -11.927 1.00 74.15 H new ATOM 0 HZ2 TRP A 72 25.223 -11.729 -15.043 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 26.707 -11.069 -11.085 1.00 73.35 H new ATOM 0 HH2 TRP A 72 24.842 -11.526 -12.623 1.00 50.02 H new ATOM 1085 N GLY A 73 33.278 -8.554 -12.962 1.00 70.42 N ATOM 1086 CA GLY A 73 34.696 -8.320 -12.760 1.00 34.42 C ATOM 1087 C GLY A 73 35.504 -9.603 -12.791 1.00 40.02 C ATOM 1088 O GLY A 73 35.051 -10.617 -13.322 1.00 43.44 O ATOM 0 H GLY A 73 32.685 -8.298 -12.172 1.00 70.42 H new ATOM 0 HA2 GLY A 73 35.063 -7.644 -13.532 1.00 34.42 H new ATOM 0 HA3 GLY A 73 34.846 -7.822 -11.802 1.00 34.42 H new ATOM 1092 N GLU A 74 36.704 -9.557 -12.221 1.00 42.02 N ATOM 1093 CA GLU A 74 37.578 -10.724 -12.187 1.00 71.31 C ATOM 1094 C GLU A 74 37.157 -11.688 -11.082 1.00 1.11 C ATOM 1095 O GLU A 74 36.889 -11.276 -9.952 1.00 23.31 O ATOM 1096 CB GLU A 74 39.031 -10.295 -11.979 1.00 4.33 C ATOM 1097 CG GLU A 74 39.266 -9.553 -10.674 1.00 1.23 C ATOM 1098 CD GLU A 74 39.608 -10.484 -9.527 1.00 42.45 C ATOM 1099 OE1 GLU A 74 40.495 -11.345 -9.708 1.00 13.03 O ATOM 1100 OE2 GLU A 74 38.992 -10.351 -8.448 1.00 73.30 O ATOM 0 H GLU A 74 37.093 -8.725 -11.777 1.00 42.02 H new ATOM 0 HA GLU A 74 37.492 -11.238 -13.145 1.00 71.31 H new ATOM 0 HB2 GLU A 74 39.669 -11.178 -12.005 1.00 4.33 H new ATOM 0 HB3 GLU A 74 39.335 -9.658 -12.809 1.00 4.33 H new ATOM 0 HG2 GLU A 74 40.076 -8.836 -10.809 1.00 1.23 H new ATOM 0 HG3 GLU A 74 38.373 -8.982 -10.419 1.00 1.23 H new ATOM 1107 N CYS A 75 37.099 -12.973 -11.416 1.00 45.01 N ATOM 1108 CA CYS A 75 36.710 -13.997 -10.452 1.00 75.22 C ATOM 1109 C CYS A 75 37.902 -14.420 -9.598 1.00 12.02 C ATOM 1110 O CYS A 75 38.951 -14.796 -10.119 1.00 1.02 O ATOM 1111 CB CYS A 75 36.131 -15.214 -11.177 1.00 73.42 C ATOM 1112 SG CYS A 75 34.890 -14.801 -12.446 1.00 23.55 S ATOM 0 H CYS A 75 37.316 -13.330 -12.346 1.00 45.01 H new ATOM 0 HA CYS A 75 35.948 -13.575 -9.797 1.00 75.22 H new ATOM 0 HB2 CYS A 75 36.946 -15.766 -11.646 1.00 73.42 H new ATOM 0 HB3 CYS A 75 35.677 -15.879 -10.443 1.00 73.42 H new ATOM 1118 N ASP A 76 37.729 -14.355 -8.282 1.00 44.35 N ATOM 1119 CA ASP A 76 38.789 -14.733 -7.353 1.00 51.33 C ATOM 1120 C ASP A 76 38.657 -16.196 -6.944 1.00 72.03 C ATOM 1121 O ASP A 76 37.797 -16.550 -6.138 1.00 33.31 O ATOM 1122 CB ASP A 76 38.752 -13.837 -6.113 1.00 20.54 C ATOM 1123 CG ASP A 76 39.865 -12.810 -6.106 1.00 61.32 C ATOM 1124 OD1 ASP A 76 40.342 -12.446 -7.202 1.00 5.43 O ATOM 1125 OD2 ASP A 76 40.263 -12.370 -5.006 1.00 14.04 O ATOM 0 H ASP A 76 36.866 -14.045 -7.835 1.00 44.35 H new ATOM 0 HA ASP A 76 39.746 -14.602 -7.858 1.00 51.33 H new ATOM 0 HB2 ASP A 76 37.790 -13.326 -6.067 1.00 20.54 H new ATOM 0 HB3 ASP A 76 38.828 -14.456 -5.219 1.00 20.54 H new ATOM 1130 N ALA A 77 39.515 -17.041 -7.506 1.00 32.44 N ATOM 1131 CA ALA A 77 39.495 -18.466 -7.199 1.00 52.11 C ATOM 1132 C ALA A 77 39.706 -18.711 -5.708 1.00 52.32 C ATOM 1133 O ALA A 77 39.359 -19.770 -5.188 1.00 74.51 O ATOM 1134 CB ALA A 77 40.555 -19.196 -8.011 1.00 20.11 C ATOM 0 H ALA A 77 40.232 -16.764 -8.176 1.00 32.44 H new ATOM 0 HA ALA A 77 38.514 -18.856 -7.469 1.00 52.11 H new ATOM 0 HB1 ALA A 77 40.529 -20.259 -7.772 1.00 20.11 H new ATOM 0 HB2 ALA A 77 40.358 -19.058 -9.074 1.00 20.11 H new ATOM 0 HB3 ALA A 77 41.539 -18.794 -7.770 1.00 20.11 H new ATOM 1140 N ALA A 78 40.276 -17.723 -5.027 1.00 51.14 N ATOM 1141 CA ALA A 78 40.532 -17.829 -3.596 1.00 32.21 C ATOM 1142 C ALA A 78 39.227 -17.850 -2.806 1.00 24.52 C ATOM 1143 O ALA A 78 39.178 -18.351 -1.682 1.00 44.21 O ATOM 1144 CB ALA A 78 41.415 -16.681 -3.130 1.00 65.22 C ATOM 0 H ALA A 78 40.570 -16.839 -5.443 1.00 51.14 H new ATOM 0 HA ALA A 78 41.053 -18.769 -3.414 1.00 32.21 H new ATOM 0 HB1 ALA A 78 41.597 -16.774 -2.059 1.00 65.22 H new ATOM 0 HB2 ALA A 78 42.365 -16.713 -3.664 1.00 65.22 H new ATOM 0 HB3 ALA A 78 40.916 -15.733 -3.332 1.00 65.22 H new ATOM 1150 N THR A 79 38.172 -17.302 -3.399 1.00 72.25 N ATOM 1151 CA THR A 79 36.869 -17.254 -2.750 1.00 2.14 C ATOM 1152 C THR A 79 35.799 -17.905 -3.618 1.00 34.44 C ATOM 1153 O THR A 79 34.646 -18.037 -3.206 1.00 31.50 O ATOM 1154 CB THR A 79 36.449 -15.806 -2.435 1.00 1.11 C ATOM 1155 OG1 THR A 79 35.179 -15.798 -1.772 1.00 22.41 O ATOM 1156 CG2 THR A 79 36.368 -14.978 -3.708 1.00 1.24 C ATOM 0 H THR A 79 38.195 -16.885 -4.329 1.00 72.25 H new ATOM 0 HA THR A 79 36.961 -17.807 -1.815 1.00 2.14 H new ATOM 0 HB THR A 79 37.202 -15.366 -1.782 1.00 1.11 H new ATOM 0 HG1 THR A 79 34.526 -15.317 -2.322 1.00 22.41 H new ATOM 0 HG21 THR A 79 36.070 -13.959 -3.461 1.00 1.24 H new ATOM 0 HG22 THR A 79 37.343 -14.963 -4.195 1.00 1.24 H new ATOM 0 HG23 THR A 79 35.633 -15.418 -4.382 1.00 1.24 H new ATOM 1164 N SER A 80 36.187 -18.311 -4.823 1.00 15.02 N ATOM 1165 CA SER A 80 35.259 -18.944 -5.753 1.00 15.34 C ATOM 1166 C SER A 80 34.002 -18.097 -5.928 1.00 30.21 C ATOM 1167 O SER A 80 32.895 -18.623 -6.055 1.00 43.51 O ATOM 1168 CB SER A 80 34.880 -20.341 -5.255 1.00 1.45 C ATOM 1169 OG SER A 80 35.898 -20.880 -4.430 1.00 23.44 O ATOM 0 H SER A 80 37.138 -18.213 -5.178 1.00 15.02 H new ATOM 0 HA SER A 80 35.755 -19.031 -6.720 1.00 15.34 H new ATOM 0 HB2 SER A 80 33.944 -20.291 -4.698 1.00 1.45 H new ATOM 0 HB3 SER A 80 34.710 -21.000 -6.106 1.00 1.45 H new ATOM 0 HG SER A 80 35.632 -21.772 -4.123 1.00 23.44 H new ATOM 1175 N THR A 81 34.180 -16.779 -5.935 1.00 2.14 N ATOM 1176 CA THR A 81 33.062 -15.858 -6.094 1.00 61.14 C ATOM 1177 C THR A 81 33.498 -14.582 -6.806 1.00 4.11 C ATOM 1178 O THR A 81 34.589 -14.065 -6.564 1.00 63.11 O ATOM 1179 CB THR A 81 32.443 -15.486 -4.733 1.00 63.43 C ATOM 1180 OG1 THR A 81 33.456 -15.475 -3.721 1.00 64.41 O ATOM 1181 CG2 THR A 81 31.347 -16.469 -4.351 1.00 44.04 C ATOM 0 H THR A 81 35.088 -16.326 -5.832 1.00 2.14 H new ATOM 0 HA THR A 81 32.313 -16.371 -6.698 1.00 61.14 H new ATOM 0 HB THR A 81 32.004 -14.492 -4.817 1.00 63.43 H new ATOM 0 HG1 THR A 81 33.720 -16.395 -3.513 1.00 64.41 H new ATOM 0 HG21 THR A 81 30.925 -16.186 -3.387 1.00 44.04 H new ATOM 0 HG22 THR A 81 30.564 -16.453 -5.109 1.00 44.04 H new ATOM 0 HG23 THR A 81 31.766 -17.473 -4.283 1.00 44.04 H new ATOM 1189 N LYS A 82 32.640 -14.079 -7.687 1.00 64.11 N ATOM 1190 CA LYS A 82 32.935 -12.863 -8.434 1.00 55.33 C ATOM 1191 C LYS A 82 32.074 -11.702 -7.947 1.00 10.31 C ATOM 1192 O LYS A 82 31.010 -11.908 -7.364 1.00 1.04 O ATOM 1193 CB LYS A 82 32.703 -13.089 -9.930 1.00 61.10 C ATOM 1194 CG LYS A 82 31.307 -13.585 -10.261 1.00 73.12 C ATOM 1195 CD LYS A 82 30.878 -13.156 -11.654 1.00 71.44 C ATOM 1196 CE LYS A 82 30.395 -14.340 -12.478 1.00 1.03 C ATOM 1197 NZ LYS A 82 31.372 -14.713 -13.538 1.00 14.32 N ATOM 0 H LYS A 82 31.734 -14.496 -7.901 1.00 64.11 H new ATOM 0 HA LYS A 82 33.982 -12.611 -8.268 1.00 55.33 H new ATOM 0 HB2 LYS A 82 32.883 -12.155 -10.462 1.00 61.10 H new ATOM 0 HB3 LYS A 82 33.432 -13.811 -10.297 1.00 61.10 H new ATOM 0 HG2 LYS A 82 31.280 -14.672 -10.190 1.00 73.12 H new ATOM 0 HG3 LYS A 82 30.599 -13.200 -9.527 1.00 73.12 H new ATOM 0 HD2 LYS A 82 30.082 -12.415 -11.579 1.00 71.44 H new ATOM 0 HD3 LYS A 82 31.714 -12.675 -12.161 1.00 71.44 H new ATOM 0 HE2 LYS A 82 30.227 -15.194 -11.822 1.00 1.03 H new ATOM 0 HE3 LYS A 82 29.437 -14.097 -12.937 1.00 1.03 H new ATOM 0 HZ1 LYS A 82 30.991 -15.502 -14.099 1.00 14.32 H new ATOM 0 HZ2 LYS A 82 31.540 -13.896 -14.159 1.00 14.32 H new ATOM 0 HZ3 LYS A 82 32.268 -15.003 -13.097 1.00 14.32 H new ATOM 1211 N SER A 83 32.541 -10.481 -8.189 1.00 54.41 N ATOM 1212 CA SER A 83 31.814 -9.288 -7.771 1.00 14.20 C ATOM 1213 C SER A 83 31.510 -8.392 -8.968 1.00 12.20 C ATOM 1214 O SER A 83 32.287 -8.322 -9.919 1.00 34.33 O ATOM 1215 CB SER A 83 32.621 -8.511 -6.730 1.00 70.15 C ATOM 1216 OG SER A 83 32.297 -8.931 -5.416 1.00 74.44 O ATOM 0 H SER A 83 33.419 -10.292 -8.672 1.00 54.41 H new ATOM 0 HA SER A 83 30.871 -9.604 -7.326 1.00 14.20 H new ATOM 0 HB2 SER A 83 33.686 -8.656 -6.909 1.00 70.15 H new ATOM 0 HB3 SER A 83 32.422 -7.444 -6.834 1.00 70.15 H new ATOM 0 HG SER A 83 32.827 -8.420 -4.769 1.00 74.44 H new ATOM 1222 N ARG A 84 30.372 -7.705 -8.911 1.00 30.35 N ATOM 1223 CA ARG A 84 29.963 -6.814 -9.989 1.00 73.43 C ATOM 1224 C ARG A 84 29.001 -5.746 -9.477 1.00 61.34 C ATOM 1225 O ARG A 84 27.950 -6.058 -8.918 1.00 0.54 O ATOM 1226 CB ARG A 84 29.304 -7.612 -11.116 1.00 55.42 C ATOM 1227 CG ARG A 84 28.299 -6.806 -11.924 1.00 51.35 C ATOM 1228 CD ARG A 84 28.971 -5.665 -12.670 1.00 54.14 C ATOM 1229 NE ARG A 84 30.227 -6.079 -13.288 1.00 21.31 N ATOM 1230 CZ ARG A 84 31.191 -5.233 -13.636 1.00 31.45 C ATOM 1231 NH1 ARG A 84 31.042 -3.932 -13.426 1.00 35.45 N ATOM 1232 NH2 ARG A 84 32.306 -5.687 -14.194 1.00 1.35 N ATOM 0 H ARG A 84 29.718 -7.749 -8.129 1.00 30.35 H new ATOM 0 HA ARG A 84 30.854 -6.320 -10.376 1.00 73.43 H new ATOM 0 HB2 ARG A 84 30.078 -7.988 -11.785 1.00 55.42 H new ATOM 0 HB3 ARG A 84 28.802 -8.481 -10.690 1.00 55.42 H new ATOM 0 HG2 ARG A 84 27.794 -7.460 -12.635 1.00 51.35 H new ATOM 0 HG3 ARG A 84 27.533 -6.406 -11.259 1.00 51.35 H new ATOM 0 HD2 ARG A 84 28.296 -5.287 -13.438 1.00 54.14 H new ATOM 0 HD3 ARG A 84 29.160 -4.843 -11.980 1.00 54.14 H new ATOM 0 HE ARG A 84 30.373 -7.073 -13.463 1.00 21.31 H new ATOM 0 HH11 ARG A 84 30.187 -3.579 -12.997 1.00 35.45 H new ATOM 0 HH12 ARG A 84 31.783 -3.284 -13.694 1.00 35.45 H new ATOM 0 HH21 ARG A 84 32.424 -6.687 -14.357 1.00 1.35 H new ATOM 0 HH22 ARG A 84 33.045 -5.036 -14.460 1.00 1.35 H new ATOM 1246 N THR A 85 29.370 -4.483 -9.670 1.00 70.10 N ATOM 1247 CA THR A 85 28.542 -3.368 -9.227 1.00 20.04 C ATOM 1248 C THR A 85 27.739 -2.785 -10.384 1.00 64.05 C ATOM 1249 O THR A 85 28.303 -2.374 -11.397 1.00 50.44 O ATOM 1250 CB THR A 85 29.395 -2.253 -8.594 1.00 5.31 C ATOM 1251 OG1 THR A 85 30.705 -2.248 -9.172 1.00 35.14 O ATOM 1252 CG2 THR A 85 29.501 -2.443 -7.087 1.00 51.34 C ATOM 0 H THR A 85 30.237 -4.207 -10.130 1.00 70.10 H new ATOM 0 HA THR A 85 27.857 -3.761 -8.476 1.00 20.04 H new ATOM 0 HB THR A 85 28.908 -1.298 -8.792 1.00 5.31 H new ATOM 0 HG1 THR A 85 31.240 -1.535 -8.765 1.00 35.14 H new ATOM 0 HG21 THR A 85 30.108 -1.644 -6.661 1.00 51.34 H new ATOM 0 HG22 THR A 85 28.505 -2.416 -6.646 1.00 51.34 H new ATOM 0 HG23 THR A 85 29.966 -3.405 -6.873 1.00 51.34 H new ATOM 1260 N GLY A 86 26.420 -2.751 -10.225 1.00 32.40 N ATOM 1261 CA GLY A 86 25.562 -2.214 -11.265 1.00 31.33 C ATOM 1262 C GLY A 86 25.034 -0.833 -10.927 1.00 21.43 C ATOM 1263 O GLY A 86 24.629 -0.576 -9.794 1.00 41.40 O ATOM 0 H GLY A 86 25.930 -3.085 -9.395 1.00 32.40 H new ATOM 0 HA2 GLY A 86 26.117 -2.168 -12.202 1.00 31.33 H new ATOM 0 HA3 GLY A 86 24.723 -2.891 -11.425 1.00 31.33 H new ATOM 1267 N THR A 87 25.041 0.058 -11.913 1.00 41.41 N ATOM 1268 CA THR A 87 24.563 1.422 -11.714 1.00 21.54 C ATOM 1269 C THR A 87 23.080 1.537 -12.042 1.00 33.23 C ATOM 1270 O THR A 87 22.556 0.788 -12.868 1.00 12.25 O ATOM 1271 CB THR A 87 25.350 2.424 -12.580 1.00 11.21 C ATOM 1272 OG1 THR A 87 25.147 3.755 -12.093 1.00 42.44 O ATOM 1273 CG2 THR A 87 24.914 2.339 -14.035 1.00 42.34 C ATOM 0 H THR A 87 25.372 -0.139 -12.857 1.00 41.41 H new ATOM 0 HA THR A 87 24.719 1.663 -10.662 1.00 21.54 H new ATOM 0 HB THR A 87 26.409 2.172 -12.519 1.00 11.21 H new ATOM 0 HG1 THR A 87 25.652 4.387 -12.647 1.00 42.44 H new ATOM 0 HG21 THR A 87 25.483 3.055 -14.628 1.00 42.34 H new ATOM 0 HG22 THR A 87 25.095 1.332 -14.411 1.00 42.34 H new ATOM 0 HG23 THR A 87 23.851 2.569 -14.110 1.00 42.34 H new ATOM 1281 N LEU A 88 22.407 2.479 -11.395 1.00 52.43 N ATOM 1282 CA LEU A 88 20.981 2.695 -11.618 1.00 24.45 C ATOM 1283 C LEU A 88 20.742 3.450 -12.923 1.00 1.13 C ATOM 1284 O LEU A 88 21.536 4.309 -13.306 1.00 34.25 O ATOM 1285 CB LEU A 88 20.371 3.469 -10.449 1.00 4.32 C ATOM 1286 CG LEU A 88 18.849 3.609 -10.457 1.00 63.00 C ATOM 1287 CD1 LEU A 88 18.225 2.710 -9.401 1.00 22.24 C ATOM 1288 CD2 LEU A 88 18.445 5.059 -10.230 1.00 2.22 C ATOM 0 H LEU A 88 22.826 3.108 -10.710 1.00 52.43 H new ATOM 0 HA LEU A 88 20.499 1.720 -11.689 1.00 24.45 H new ATOM 0 HB2 LEU A 88 20.666 2.978 -9.521 1.00 4.32 H new ATOM 0 HB3 LEU A 88 20.807 4.468 -10.434 1.00 4.32 H new ATOM 0 HG LEU A 88 18.480 3.298 -11.435 1.00 63.00 H new ATOM 0 HD11 LEU A 88 17.141 2.823 -9.421 1.00 22.24 H new ATOM 0 HD12 LEU A 88 18.486 1.672 -9.607 1.00 22.24 H new ATOM 0 HD13 LEU A 88 18.601 2.990 -8.417 1.00 22.24 H new ATOM 0 HD21 LEU A 88 17.358 5.140 -10.239 1.00 2.22 H new ATOM 0 HD22 LEU A 88 18.826 5.396 -9.266 1.00 2.22 H new ATOM 0 HD23 LEU A 88 18.861 5.681 -11.022 1.00 2.22 H new ATOM 1300 N GLN A 89 19.644 3.124 -13.596 1.00 24.33 N ATOM 1301 CA GLN A 89 19.301 3.772 -14.856 1.00 52.15 C ATOM 1302 C GLN A 89 18.050 4.631 -14.703 1.00 74.43 C ATOM 1303 O GLN A 89 18.128 5.858 -14.661 1.00 44.31 O ATOM 1304 CB GLN A 89 19.085 2.726 -15.950 1.00 20.34 C ATOM 1305 CG GLN A 89 20.328 1.912 -16.268 1.00 64.43 C ATOM 1306 CD GLN A 89 20.245 0.490 -15.747 1.00 73.43 C ATOM 1307 OE1 GLN A 89 20.858 0.152 -14.735 1.00 3.32 O ATOM 1308 NE2 GLN A 89 19.484 -0.350 -16.438 1.00 31.43 N ATOM 0 H GLN A 89 18.977 2.416 -13.290 1.00 24.33 H new ATOM 0 HA GLN A 89 20.131 4.418 -15.141 1.00 52.15 H new ATOM 0 HB2 GLN A 89 18.287 2.050 -15.642 1.00 20.34 H new ATOM 0 HB3 GLN A 89 18.747 3.226 -16.857 1.00 20.34 H new ATOM 0 HG2 GLN A 89 20.477 1.891 -17.348 1.00 64.43 H new ATOM 0 HG3 GLN A 89 21.200 2.403 -15.835 1.00 64.43 H new ATOM 0 HE21 GLN A 89 18.994 -0.026 -17.272 1.00 31.43 H new ATOM 0 HE22 GLN A 89 19.390 -1.319 -16.135 1.00 31.43 H new ATOM 1317 N LYS A 90 16.896 3.977 -14.621 1.00 62.11 N ATOM 1318 CA LYS A 90 15.627 4.680 -14.472 1.00 23.11 C ATOM 1319 C LYS A 90 14.669 3.891 -13.586 1.00 0.12 C ATOM 1320 O LYS A 90 14.560 2.672 -13.705 1.00 62.24 O ATOM 1321 CB LYS A 90 14.990 4.920 -15.843 1.00 24.20 C ATOM 1322 CG LYS A 90 14.258 3.709 -16.393 1.00 52.34 C ATOM 1323 CD LYS A 90 15.206 2.548 -16.640 1.00 45.01 C ATOM 1324 CE LYS A 90 14.817 1.765 -17.883 1.00 23.45 C ATOM 1325 NZ LYS A 90 14.920 2.593 -19.116 1.00 31.53 N ATOM 0 H LYS A 90 16.813 2.961 -14.655 1.00 62.11 H new ATOM 0 HA LYS A 90 15.826 5.641 -13.997 1.00 23.11 H new ATOM 0 HB2 LYS A 90 14.292 5.754 -15.769 1.00 24.20 H new ATOM 0 HB3 LYS A 90 15.766 5.216 -16.548 1.00 24.20 H new ATOM 0 HG2 LYS A 90 13.482 3.403 -15.692 1.00 52.34 H new ATOM 0 HG3 LYS A 90 13.759 3.977 -17.324 1.00 52.34 H new ATOM 0 HD2 LYS A 90 16.223 2.925 -16.750 1.00 45.01 H new ATOM 0 HD3 LYS A 90 15.203 1.884 -15.775 1.00 45.01 H new ATOM 0 HE2 LYS A 90 15.461 0.891 -17.978 1.00 23.45 H new ATOM 0 HE3 LYS A 90 13.796 1.398 -17.776 1.00 23.45 H new ATOM 0 HZ1 LYS A 90 15.118 1.979 -19.931 1.00 31.53 H new ATOM 0 HZ2 LYS A 90 14.023 3.096 -19.272 1.00 31.53 H new ATOM 0 HZ3 LYS A 90 15.690 3.283 -19.007 1.00 31.53 H new ATOM 1339 N ALA A 91 13.976 4.596 -12.697 1.00 72.05 N ATOM 1340 CA ALA A 91 13.025 3.961 -11.793 1.00 0.02 C ATOM 1341 C ALA A 91 11.666 3.786 -12.461 1.00 53.11 C ATOM 1342 O ALA A 91 11.004 4.764 -12.812 1.00 74.34 O ATOM 1343 CB ALA A 91 12.886 4.777 -10.516 1.00 21.54 C ATOM 0 H ALA A 91 14.056 5.607 -12.584 1.00 72.05 H new ATOM 0 HA ALA A 91 13.406 2.972 -11.540 1.00 0.02 H new ATOM 0 HB1 ALA A 91 12.173 4.292 -9.850 1.00 21.54 H new ATOM 0 HB2 ALA A 91 13.855 4.847 -10.022 1.00 21.54 H new ATOM 0 HB3 ALA A 91 12.531 5.778 -10.761 1.00 21.54 H new ATOM 1349 N LEU A 92 11.254 2.535 -12.635 1.00 20.14 N ATOM 1350 CA LEU A 92 9.973 2.231 -13.262 1.00 72.24 C ATOM 1351 C LEU A 92 9.292 1.056 -12.570 1.00 62.22 C ATOM 1352 O LEU A 92 8.363 0.455 -13.111 1.00 54.50 O ATOM 1353 CB LEU A 92 10.170 1.918 -14.747 1.00 43.22 C ATOM 1354 CG LEU A 92 9.424 2.822 -15.729 1.00 11.50 C ATOM 1355 CD1 LEU A 92 9.888 4.263 -15.587 1.00 41.23 C ATOM 1356 CD2 LEU A 92 9.622 2.336 -17.157 1.00 34.33 C ATOM 0 H LEU A 92 11.789 1.715 -12.350 1.00 20.14 H new ATOM 0 HA LEU A 92 9.333 3.107 -13.163 1.00 72.24 H new ATOM 0 HB2 LEU A 92 11.235 1.973 -14.971 1.00 43.22 H new ATOM 0 HB3 LEU A 92 9.860 0.888 -14.925 1.00 43.22 H new ATOM 0 HG LEU A 92 8.360 2.779 -15.495 1.00 11.50 H new ATOM 0 HD11 LEU A 92 9.346 4.891 -16.294 1.00 41.23 H new ATOM 0 HD12 LEU A 92 9.695 4.609 -14.572 1.00 41.23 H new ATOM 0 HD13 LEU A 92 10.957 4.323 -15.794 1.00 41.23 H new ATOM 0 HD21 LEU A 92 9.084 2.991 -17.842 1.00 34.33 H new ATOM 0 HD22 LEU A 92 10.684 2.349 -17.402 1.00 34.33 H new ATOM 0 HD23 LEU A 92 9.240 1.320 -17.252 1.00 34.33 H new ATOM 1368 N PHE A 93 9.759 0.733 -11.368 1.00 54.03 N ATOM 1369 CA PHE A 93 9.194 -0.371 -10.599 1.00 73.24 C ATOM 1370 C PHE A 93 8.039 0.110 -9.728 1.00 4.12 C ATOM 1371 O PHE A 93 6.873 -0.145 -10.027 1.00 62.11 O ATOM 1372 CB PHE A 93 10.273 -1.017 -9.728 1.00 4.13 C ATOM 1373 CG PHE A 93 10.815 -2.298 -10.296 1.00 41.34 C ATOM 1374 CD1 PHE A 93 11.875 -2.280 -11.188 1.00 22.01 C ATOM 1375 CD2 PHE A 93 10.266 -3.518 -9.938 1.00 40.44 C ATOM 1376 CE1 PHE A 93 12.376 -3.457 -11.713 1.00 25.30 C ATOM 1377 CE2 PHE A 93 10.764 -4.697 -10.458 1.00 60.13 C ATOM 1378 CZ PHE A 93 11.820 -4.667 -11.348 1.00 72.22 C ATOM 0 H PHE A 93 10.527 1.220 -10.905 1.00 54.03 H new ATOM 0 HA PHE A 93 8.812 -1.113 -11.300 1.00 73.24 H new ATOM 0 HB2 PHE A 93 11.093 -0.311 -9.597 1.00 4.13 H new ATOM 0 HB3 PHE A 93 9.860 -1.214 -8.738 1.00 4.13 H new ATOM 0 HD1 PHE A 93 12.315 -1.337 -11.476 1.00 22.01 H new ATOM 0 HD2 PHE A 93 9.439 -3.548 -9.244 1.00 40.44 H new ATOM 0 HE1 PHE A 93 13.202 -3.430 -12.408 1.00 25.30 H new ATOM 0 HE2 PHE A 93 10.328 -5.642 -10.169 1.00 60.13 H new ATOM 0 HZ PHE A 93 12.210 -5.587 -11.757 1.00 72.22 H new ATOM 1388 N ASN A 94 8.372 0.805 -8.645 1.00 43.32 N ATOM 1389 CA ASN A 94 7.363 1.320 -7.726 1.00 11.33 C ATOM 1390 C ASN A 94 8.012 2.089 -6.580 1.00 5.42 C ATOM 1391 O ASN A 94 7.607 3.206 -6.258 1.00 71.25 O ATOM 1392 CB ASN A 94 6.515 0.174 -7.171 1.00 21.53 C ATOM 1393 CG ASN A 94 5.028 0.425 -7.329 1.00 52.21 C ATOM 1394 OD1 ASN A 94 4.569 0.857 -8.386 1.00 1.32 O ATOM 1395 ND2 ASN A 94 4.267 0.156 -6.273 1.00 64.34 N ATOM 0 H ASN A 94 9.333 1.025 -8.382 1.00 43.32 H new ATOM 0 HA ASN A 94 6.719 2.004 -8.280 1.00 11.33 H new ATOM 0 HB2 ASN A 94 6.781 -0.751 -7.682 1.00 21.53 H new ATOM 0 HB3 ASN A 94 6.747 0.033 -6.115 1.00 21.53 H new ATOM 0 HD21 ASN A 94 3.259 0.306 -6.319 1.00 64.34 H new ATOM 0 HD22 ASN A 94 4.691 -0.201 -5.417 1.00 64.34 H new ATOM 1402 N VAL A 95 9.023 1.481 -5.966 1.00 40.54 N ATOM 1403 CA VAL A 95 9.731 2.109 -4.855 1.00 34.14 C ATOM 1404 C VAL A 95 11.058 2.702 -5.314 1.00 32.03 C ATOM 1405 O VAL A 95 11.414 2.614 -6.489 1.00 41.31 O ATOM 1406 CB VAL A 95 9.995 1.103 -3.718 1.00 51.05 C ATOM 1407 CG1 VAL A 95 8.708 0.792 -2.972 1.00 1.50 C ATOM 1408 CG2 VAL A 95 10.623 -0.167 -4.268 1.00 2.14 C ATOM 0 H VAL A 95 9.370 0.556 -6.219 1.00 40.54 H new ATOM 0 HA VAL A 95 9.090 2.908 -4.482 1.00 34.14 H new ATOM 0 HB VAL A 95 10.695 1.551 -3.013 1.00 51.05 H new ATOM 0 HG11 VAL A 95 8.914 0.080 -2.173 1.00 1.50 H new ATOM 0 HG12 VAL A 95 8.304 1.710 -2.545 1.00 1.50 H new ATOM 0 HG13 VAL A 95 7.982 0.363 -3.662 1.00 1.50 H new ATOM 0 HG21 VAL A 95 10.803 -0.867 -3.452 1.00 2.14 H new ATOM 0 HG22 VAL A 95 9.949 -0.622 -4.994 1.00 2.14 H new ATOM 0 HG23 VAL A 95 11.568 0.075 -4.753 1.00 2.14 H new ATOM 1418 N GLU A 96 11.786 3.304 -4.379 1.00 53.23 N ATOM 1419 CA GLU A 96 13.075 3.913 -4.689 1.00 31.53 C ATOM 1420 C GLU A 96 14.220 2.971 -4.329 1.00 11.21 C ATOM 1421 O GLU A 96 14.161 2.255 -3.327 1.00 54.54 O ATOM 1422 CB GLU A 96 13.232 5.236 -3.939 1.00 64.33 C ATOM 1423 CG GLU A 96 13.288 5.078 -2.429 1.00 12.50 C ATOM 1424 CD GLU A 96 14.557 5.649 -1.828 1.00 64.42 C ATOM 1425 OE1 GLU A 96 14.840 6.842 -2.063 1.00 71.14 O ATOM 1426 OE2 GLU A 96 15.269 4.903 -1.124 1.00 13.21 O ATOM 0 H GLU A 96 11.506 3.383 -3.401 1.00 53.23 H new ATOM 0 HA GLU A 96 13.110 4.107 -5.761 1.00 31.53 H new ATOM 0 HB2 GLU A 96 14.143 5.730 -4.278 1.00 64.33 H new ATOM 0 HB3 GLU A 96 12.399 5.891 -4.197 1.00 64.33 H new ATOM 0 HG2 GLU A 96 12.425 5.573 -1.984 1.00 12.50 H new ATOM 0 HG3 GLU A 96 13.215 4.020 -2.175 1.00 12.50 H new ATOM 1433 N CYS A 97 15.264 2.976 -5.151 1.00 21.33 N ATOM 1434 CA CYS A 97 16.424 2.123 -4.921 1.00 32.24 C ATOM 1435 C CYS A 97 17.703 2.949 -4.864 1.00 61.25 C ATOM 1436 O CYS A 97 17.725 4.107 -5.282 1.00 24.51 O ATOM 1437 CB CYS A 97 16.533 1.068 -6.025 1.00 24.44 C ATOM 1438 SG CYS A 97 15.582 -0.451 -5.699 1.00 74.20 S ATOM 0 H CYS A 97 15.330 3.562 -5.983 1.00 21.33 H new ATOM 0 HA CYS A 97 16.293 1.623 -3.961 1.00 32.24 H new ATOM 0 HB2 CYS A 97 16.191 1.503 -6.964 1.00 24.44 H new ATOM 0 HB3 CYS A 97 17.582 0.805 -6.159 1.00 24.44 H new ATOM 1444 N GLN A 98 18.769 2.348 -4.344 1.00 22.35 N ATOM 1445 CA GLN A 98 20.054 3.029 -4.232 1.00 12.54 C ATOM 1446 C GLN A 98 20.623 3.346 -5.610 1.00 54.42 C ATOM 1447 O GLN A 98 20.321 2.664 -6.589 1.00 33.45 O ATOM 1448 CB GLN A 98 21.043 2.169 -3.442 1.00 73.12 C ATOM 1449 CG GLN A 98 21.253 2.643 -2.013 1.00 24.34 C ATOM 1450 CD GLN A 98 22.280 1.812 -1.269 1.00 45.14 C ATOM 1451 OE1 GLN A 98 23.407 1.637 -1.732 1.00 70.41 O ATOM 1452 NE2 GLN A 98 21.895 1.295 -0.108 1.00 20.04 N ATOM 0 H GLN A 98 18.768 1.390 -3.993 1.00 22.35 H new ATOM 0 HA GLN A 98 19.896 3.968 -3.701 1.00 12.54 H new ATOM 0 HB2 GLN A 98 20.685 1.140 -3.426 1.00 73.12 H new ATOM 0 HB3 GLN A 98 22.002 2.165 -3.959 1.00 73.12 H new ATOM 0 HG2 GLN A 98 21.572 3.685 -2.023 1.00 24.34 H new ATOM 0 HG3 GLN A 98 20.304 2.605 -1.478 1.00 24.34 H new ATOM 0 HE21 GLN A 98 20.951 1.466 0.238 1.00 20.04 H new ATOM 0 HE22 GLN A 98 22.543 0.727 0.438 1.00 20.04 H new ATOM 1461 N GLN A 99 21.449 4.385 -5.679 1.00 2.35 N ATOM 1462 CA GLN A 99 22.061 4.792 -6.938 1.00 32.12 C ATOM 1463 C GLN A 99 22.750 3.613 -7.614 1.00 61.43 C ATOM 1464 O GLN A 99 22.769 3.511 -8.842 1.00 63.41 O ATOM 1465 CB GLN A 99 23.067 5.918 -6.699 1.00 61.52 C ATOM 1466 CG GLN A 99 23.723 6.428 -7.972 1.00 70.25 C ATOM 1467 CD GLN A 99 23.017 7.640 -8.548 1.00 62.12 C ATOM 1468 OE1 GLN A 99 23.278 8.774 -8.146 1.00 22.02 O ATOM 1469 NE2 GLN A 99 22.116 7.406 -9.494 1.00 12.44 N ATOM 0 H GLN A 99 21.710 4.960 -4.878 1.00 2.35 H new ATOM 0 HA GLN A 99 21.272 5.154 -7.597 1.00 32.12 H new ATOM 0 HB2 GLN A 99 22.561 6.747 -6.204 1.00 61.52 H new ATOM 0 HB3 GLN A 99 23.841 5.564 -6.018 1.00 61.52 H new ATOM 0 HG2 GLN A 99 24.762 6.683 -7.764 1.00 70.25 H new ATOM 0 HG3 GLN A 99 23.733 5.631 -8.715 1.00 70.25 H new ATOM 0 HE21 GLN A 99 21.931 6.450 -9.797 1.00 12.44 H new ATOM 0 HE22 GLN A 99 21.608 8.182 -9.918 1.00 12.44 H new ATOM 1478 N THR A 100 23.318 2.722 -6.807 1.00 21.51 N ATOM 1479 CA THR A 100 24.011 1.550 -7.328 1.00 11.05 C ATOM 1480 C THR A 100 23.895 0.373 -6.368 1.00 22.43 C ATOM 1481 O THR A 100 23.518 0.538 -5.208 1.00 13.43 O ATOM 1482 CB THR A 100 25.501 1.846 -7.584 1.00 11.31 C ATOM 1483 OG1 THR A 100 26.150 0.678 -8.099 1.00 70.15 O ATOM 1484 CG2 THR A 100 26.191 2.292 -6.303 1.00 34.33 C ATOM 0 H THR A 100 23.312 2.790 -5.789 1.00 21.51 H new ATOM 0 HA THR A 100 23.533 1.293 -8.273 1.00 11.05 H new ATOM 0 HB THR A 100 25.569 2.652 -8.315 1.00 11.31 H new ATOM 0 HG1 THR A 100 25.710 0.399 -8.929 1.00 70.15 H new ATOM 0 HG21 THR A 100 27.242 2.495 -6.508 1.00 34.33 H new ATOM 0 HG22 THR A 100 25.713 3.197 -5.928 1.00 34.33 H new ATOM 0 HG23 THR A 100 26.113 1.504 -5.554 1.00 34.33 H new ATOM 1492 N VAL A 101 24.224 -0.820 -6.858 1.00 42.14 N ATOM 1493 CA VAL A 101 24.160 -2.026 -6.042 1.00 2.14 C ATOM 1494 C VAL A 101 25.188 -3.054 -6.500 1.00 12.25 C ATOM 1495 O VAL A 101 25.475 -3.173 -7.690 1.00 75.21 O ATOM 1496 CB VAL A 101 22.757 -2.661 -6.091 1.00 4.00 C ATOM 1497 CG1 VAL A 101 21.697 -1.649 -5.685 1.00 12.14 C ATOM 1498 CG2 VAL A 101 22.473 -3.217 -7.478 1.00 13.23 C ATOM 0 H VAL A 101 24.537 -0.976 -7.816 1.00 42.14 H new ATOM 0 HA VAL A 101 24.381 -1.728 -5.017 1.00 2.14 H new ATOM 0 HB VAL A 101 22.726 -3.487 -5.380 1.00 4.00 H new ATOM 0 HG11 VAL A 101 20.713 -2.116 -5.726 1.00 12.14 H new ATOM 0 HG12 VAL A 101 21.893 -1.304 -4.670 1.00 12.14 H new ATOM 0 HG13 VAL A 101 21.724 -0.800 -6.368 1.00 12.14 H new ATOM 0 HG21 VAL A 101 21.478 -3.662 -7.495 1.00 13.23 H new ATOM 0 HG22 VAL A 101 22.523 -2.411 -8.210 1.00 13.23 H new ATOM 0 HG23 VAL A 101 23.214 -3.977 -7.724 1.00 13.23 H new ATOM 1508 N SER A 102 25.739 -3.796 -5.544 1.00 34.15 N ATOM 1509 CA SER A 102 26.739 -4.814 -5.848 1.00 71.33 C ATOM 1510 C SER A 102 26.093 -6.191 -5.966 1.00 32.53 C ATOM 1511 O SER A 102 25.016 -6.434 -5.422 1.00 23.44 O ATOM 1512 CB SER A 102 27.819 -4.837 -4.766 1.00 74.32 C ATOM 1513 OG SER A 102 27.244 -4.850 -3.471 1.00 43.44 O ATOM 0 H SER A 102 25.510 -3.712 -4.554 1.00 34.15 H new ATOM 0 HA SER A 102 27.198 -4.563 -6.804 1.00 71.33 H new ATOM 0 HB2 SER A 102 28.450 -5.717 -4.896 1.00 74.32 H new ATOM 0 HB3 SER A 102 28.463 -3.964 -4.872 1.00 74.32 H new ATOM 0 HG SER A 102 27.956 -4.866 -2.797 1.00 43.44 H new ATOM 1519 N VAL A 103 26.760 -7.090 -6.685 1.00 2.21 N ATOM 1520 CA VAL A 103 26.253 -8.444 -6.876 1.00 4.30 C ATOM 1521 C VAL A 103 27.371 -9.473 -6.738 1.00 0.45 C ATOM 1522 O VAL A 103 28.553 -9.130 -6.763 1.00 34.43 O ATOM 1523 CB VAL A 103 25.589 -8.606 -8.256 1.00 43.44 C ATOM 1524 CG1 VAL A 103 24.545 -7.522 -8.475 1.00 70.01 C ATOM 1525 CG2 VAL A 103 26.637 -8.578 -9.357 1.00 1.01 C ATOM 0 H VAL A 103 27.652 -6.905 -7.144 1.00 2.21 H new ATOM 0 HA VAL A 103 25.507 -8.615 -6.100 1.00 4.30 H new ATOM 0 HB VAL A 103 25.087 -9.573 -8.288 1.00 43.44 H new ATOM 0 HG11 VAL A 103 24.086 -7.652 -9.455 1.00 70.01 H new ATOM 0 HG12 VAL A 103 23.779 -7.593 -7.703 1.00 70.01 H new ATOM 0 HG13 VAL A 103 25.021 -6.543 -8.424 1.00 70.01 H new ATOM 0 HG21 VAL A 103 26.150 -8.694 -10.325 1.00 1.01 H new ATOM 0 HG22 VAL A 103 27.168 -7.627 -9.329 1.00 1.01 H new ATOM 0 HG23 VAL A 103 27.345 -9.393 -9.207 1.00 1.01 H new ATOM 1535 N THR A 104 26.988 -10.739 -6.592 1.00 52.43 N ATOM 1536 CA THR A 104 27.955 -11.818 -6.449 1.00 64.24 C ATOM 1537 C THR A 104 27.535 -13.043 -7.255 1.00 45.35 C ATOM 1538 O THR A 104 26.347 -13.287 -7.458 1.00 13.32 O ATOM 1539 CB THR A 104 28.133 -12.223 -4.975 1.00 1.25 C ATOM 1540 OG1 THR A 104 27.961 -11.080 -4.129 1.00 30.15 O ATOM 1541 CG2 THR A 104 29.506 -12.833 -4.741 1.00 71.34 C ATOM 0 H THR A 104 26.014 -11.040 -6.570 1.00 52.43 H new ATOM 0 HA THR A 104 28.905 -11.443 -6.831 1.00 64.24 H new ATOM 0 HB THR A 104 27.377 -12.970 -4.733 1.00 1.25 H new ATOM 0 HG1 THR A 104 28.074 -11.346 -3.193 1.00 30.15 H new ATOM 0 HG21 THR A 104 29.607 -13.111 -3.692 1.00 71.34 H new ATOM 0 HG22 THR A 104 29.621 -13.720 -5.364 1.00 71.34 H new ATOM 0 HG23 THR A 104 30.276 -12.106 -4.999 1.00 71.34 H new ATOM 1549 N LYS A 105 28.520 -13.810 -7.711 1.00 71.11 N ATOM 1550 CA LYS A 105 28.253 -15.013 -8.493 1.00 41.34 C ATOM 1551 C LYS A 105 29.308 -16.081 -8.224 1.00 52.31 C ATOM 1552 O LYS A 105 30.477 -15.785 -7.979 1.00 22.15 O ATOM 1553 CB LYS A 105 28.220 -14.677 -9.986 1.00 30.02 C ATOM 1554 CG LYS A 105 26.816 -14.581 -10.557 1.00 30.23 C ATOM 1555 CD LYS A 105 26.837 -14.437 -12.069 1.00 21.42 C ATOM 1556 CE LYS A 105 27.206 -15.747 -12.748 1.00 34.44 C ATOM 1557 NZ LYS A 105 26.000 -16.495 -13.200 1.00 33.01 N ATOM 0 H LYS A 105 29.510 -13.621 -7.553 1.00 71.11 H new ATOM 0 HA LYS A 105 27.281 -15.404 -8.193 1.00 41.34 H new ATOM 0 HB2 LYS A 105 28.735 -13.730 -10.148 1.00 30.02 H new ATOM 0 HB3 LYS A 105 28.775 -15.439 -10.534 1.00 30.02 H new ATOM 0 HG2 LYS A 105 26.249 -15.471 -10.283 1.00 30.23 H new ATOM 0 HG3 LYS A 105 26.301 -13.727 -10.117 1.00 30.23 H new ATOM 0 HD2 LYS A 105 25.858 -14.108 -12.418 1.00 21.42 H new ATOM 0 HD3 LYS A 105 27.552 -13.665 -12.352 1.00 21.42 H new ATOM 0 HE2 LYS A 105 27.850 -15.544 -13.604 1.00 34.44 H new ATOM 0 HE3 LYS A 105 27.780 -16.365 -12.057 1.00 34.44 H new ATOM 0 HZ1 LYS A 105 26.293 -17.382 -13.658 1.00 33.01 H new ATOM 0 HZ2 LYS A 105 25.398 -16.711 -12.380 1.00 33.01 H new ATOM 0 HZ3 LYS A 105 25.466 -15.915 -13.878 1.00 33.01 H new ATOM 1571 N PRO A 106 28.886 -17.353 -8.271 1.00 34.23 N ATOM 1572 CA PRO A 106 29.779 -18.492 -8.037 1.00 32.23 C ATOM 1573 C PRO A 106 30.786 -18.681 -9.166 1.00 70.45 C ATOM 1574 O PRO A 106 30.686 -19.625 -9.951 1.00 43.45 O ATOM 1575 CB PRO A 106 28.823 -19.685 -7.970 1.00 1.22 C ATOM 1576 CG PRO A 106 27.634 -19.263 -8.762 1.00 13.20 C ATOM 1577 CD PRO A 106 27.505 -17.779 -8.557 1.00 60.13 C ATOM 0 HA PRO A 106 30.381 -18.359 -7.138 1.00 32.23 H new ATOM 0 HB2 PRO A 106 29.279 -20.582 -8.389 1.00 1.22 H new ATOM 0 HB3 PRO A 106 28.551 -19.917 -6.940 1.00 1.22 H new ATOM 0 HG2 PRO A 106 27.764 -19.501 -9.818 1.00 13.20 H new ATOM 0 HG3 PRO A 106 26.737 -19.783 -8.426 1.00 13.20 H new ATOM 0 HD2 PRO A 106 27.107 -17.284 -9.443 1.00 60.13 H new ATOM 0 HD3 PRO A 106 26.833 -17.544 -7.732 1.00 60.13 H new ATOM 1585 N CYS A 107 31.757 -17.777 -9.245 1.00 50.22 N ATOM 1586 CA CYS A 107 32.783 -17.842 -10.278 1.00 30.50 C ATOM 1587 C CYS A 107 34.174 -17.949 -9.658 1.00 30.13 C ATOM 1588 O CYS A 107 34.439 -17.381 -8.598 1.00 71.35 O ATOM 1589 CB CYS A 107 32.709 -16.608 -11.180 1.00 31.15 C ATOM 1590 SG CYS A 107 33.869 -16.642 -12.584 1.00 22.44 S ATOM 0 H CYS A 107 31.854 -16.989 -8.604 1.00 50.22 H new ATOM 0 HA CYS A 107 32.602 -18.734 -10.878 1.00 30.50 H new ATOM 0 HB2 CYS A 107 31.693 -16.512 -11.564 1.00 31.15 H new ATOM 0 HB3 CYS A 107 32.908 -15.720 -10.580 1.00 31.15 H new ATOM 1596 N THR A 108 35.059 -18.683 -10.327 1.00 44.53 N ATOM 1597 CA THR A 108 36.421 -18.866 -9.841 1.00 71.45 C ATOM 1598 C THR A 108 37.433 -18.706 -10.972 1.00 13.42 C ATOM 1599 O THR A 108 37.245 -19.236 -12.067 1.00 1.11 O ATOM 1600 CB THR A 108 36.606 -20.251 -9.194 1.00 22.42 C ATOM 1601 OG1 THR A 108 37.998 -20.513 -8.988 1.00 5.24 O ATOM 1602 CG2 THR A 108 36.004 -21.341 -10.069 1.00 3.41 C ATOM 0 H THR A 108 34.857 -19.160 -11.206 1.00 44.53 H new ATOM 0 HA THR A 108 36.595 -18.097 -9.089 1.00 71.45 H new ATOM 0 HB THR A 108 36.091 -20.251 -8.234 1.00 22.42 H new ATOM 0 HG1 THR A 108 38.107 -21.395 -8.575 1.00 5.24 H new ATOM 0 HG21 THR A 108 36.147 -22.311 -9.592 1.00 3.41 H new ATOM 0 HG22 THR A 108 34.938 -21.155 -10.201 1.00 3.41 H new ATOM 0 HG23 THR A 108 36.496 -21.340 -11.042 1.00 3.41 H new ATOM 1610 N THR A 109 38.507 -17.971 -10.698 1.00 20.33 N ATOM 1611 CA THR A 109 39.548 -17.742 -11.692 1.00 3.01 C ATOM 1612 C THR A 109 40.847 -17.294 -11.033 1.00 3.51 C ATOM 1613 O THR A 109 40.833 -16.583 -10.027 1.00 54.12 O ATOM 1614 CB THR A 109 39.117 -16.683 -12.722 1.00 71.13 C ATOM 1615 OG1 THR A 109 37.922 -17.106 -13.388 1.00 75.04 O ATOM 1616 CG2 THR A 109 40.217 -16.443 -13.745 1.00 41.14 C ATOM 0 H THR A 109 38.678 -17.525 -9.797 1.00 20.33 H new ATOM 0 HA THR A 109 39.711 -18.690 -12.204 1.00 3.01 H new ATOM 0 HB THR A 109 38.926 -15.749 -12.193 1.00 71.13 H new ATOM 0 HG1 THR A 109 37.790 -18.067 -13.245 1.00 75.04 H new ATOM 0 HG21 THR A 109 39.889 -15.691 -14.462 1.00 41.14 H new ATOM 0 HG22 THR A 109 41.116 -16.093 -13.237 1.00 41.14 H new ATOM 0 HG23 THR A 109 40.436 -17.373 -14.269 1.00 41.14 H new ATOM 1624 N LYS A 110 41.971 -17.714 -11.603 1.00 63.41 N ATOM 1625 CA LYS A 110 43.281 -17.355 -11.074 1.00 51.43 C ATOM 1626 C LYS A 110 44.274 -17.100 -12.203 1.00 22.25 C ATOM 1627 O LYS A 110 44.211 -17.739 -13.252 1.00 74.52 O ATOM 1628 CB LYS A 110 43.805 -18.463 -10.159 1.00 11.13 C ATOM 1629 CG LYS A 110 45.005 -18.048 -9.325 1.00 70.12 C ATOM 1630 CD LYS A 110 44.623 -17.802 -7.876 1.00 15.35 C ATOM 1631 CE LYS A 110 43.816 -16.521 -7.723 1.00 64.10 C ATOM 1632 NZ LYS A 110 43.685 -16.116 -6.295 1.00 24.10 N ATOM 0 H LYS A 110 42.001 -18.305 -12.434 1.00 63.41 H new ATOM 0 HA LYS A 110 43.172 -16.437 -10.497 1.00 51.43 H new ATOM 0 HB2 LYS A 110 43.003 -18.782 -9.493 1.00 11.13 H new ATOM 0 HB3 LYS A 110 44.077 -19.326 -10.767 1.00 11.13 H new ATOM 0 HG2 LYS A 110 45.768 -18.825 -9.373 1.00 70.12 H new ATOM 0 HG3 LYS A 110 45.444 -17.143 -9.744 1.00 70.12 H new ATOM 0 HD2 LYS A 110 44.043 -18.646 -7.503 1.00 15.35 H new ATOM 0 HD3 LYS A 110 45.524 -17.741 -7.266 1.00 15.35 H new ATOM 0 HE2 LYS A 110 44.296 -15.720 -8.285 1.00 64.10 H new ATOM 0 HE3 LYS A 110 42.824 -16.663 -8.153 1.00 64.10 H new ATOM 0 HZ1 LYS A 110 43.129 -15.239 -6.232 1.00 24.10 H new ATOM 0 HZ2 LYS A 110 43.204 -16.870 -5.763 1.00 24.10 H new ATOM 0 HZ3 LYS A 110 44.630 -15.956 -5.891 1.00 24.10 H new ATOM 1646 N VAL A 111 45.192 -16.164 -11.979 1.00 14.45 N ATOM 1647 CA VAL A 111 46.200 -15.829 -12.976 1.00 10.11 C ATOM 1648 C VAL A 111 46.951 -17.073 -13.438 1.00 60.25 C ATOM 1649 O VAL A 111 47.255 -17.960 -12.642 1.00 62.32 O ATOM 1650 CB VAL A 111 47.213 -14.805 -12.429 1.00 32.33 C ATOM 1651 CG1 VAL A 111 48.255 -14.467 -13.483 1.00 32.44 C ATOM 1652 CG2 VAL A 111 46.495 -13.550 -11.956 1.00 62.31 C ATOM 0 H VAL A 111 45.257 -15.625 -11.116 1.00 14.45 H new ATOM 0 HA VAL A 111 45.673 -15.390 -13.823 1.00 10.11 H new ATOM 0 HB VAL A 111 47.727 -15.248 -11.576 1.00 32.33 H new ATOM 0 HG11 VAL A 111 48.961 -13.742 -13.077 1.00 32.44 H new ATOM 0 HG12 VAL A 111 48.789 -15.373 -13.770 1.00 32.44 H new ATOM 0 HG13 VAL A 111 47.763 -14.043 -14.358 1.00 32.44 H new ATOM 0 HG21 VAL A 111 47.224 -12.836 -11.572 1.00 62.31 H new ATOM 0 HG22 VAL A 111 45.955 -13.103 -12.791 1.00 62.31 H new ATOM 0 HG23 VAL A 111 45.791 -13.810 -11.165 1.00 62.31 H new ATOM 1662 N LYS A 112 47.250 -17.130 -14.732 1.00 75.12 N ATOM 1663 CA LYS A 112 47.968 -18.264 -15.303 1.00 65.02 C ATOM 1664 C LYS A 112 49.420 -17.898 -15.590 1.00 21.41 C ATOM 1665 O LYS A 112 49.743 -16.734 -15.820 1.00 72.02 O ATOM 1666 CB LYS A 112 47.284 -18.731 -16.589 1.00 30.44 C ATOM 1667 CG LYS A 112 46.402 -19.954 -16.399 1.00 43.32 C ATOM 1668 CD LYS A 112 44.955 -19.658 -16.755 1.00 73.23 C ATOM 1669 CE LYS A 112 44.015 -20.706 -16.182 1.00 11.34 C ATOM 1670 NZ LYS A 112 42.603 -20.228 -16.151 1.00 22.43 N ATOM 0 H LYS A 112 47.006 -16.404 -15.405 1.00 75.12 H new ATOM 0 HA LYS A 112 47.953 -19.076 -14.576 1.00 65.02 H new ATOM 0 HB2 LYS A 112 46.679 -17.915 -16.986 1.00 30.44 H new ATOM 0 HB3 LYS A 112 48.046 -18.955 -17.335 1.00 30.44 H new ATOM 0 HG2 LYS A 112 46.771 -20.770 -17.020 1.00 43.32 H new ATOM 0 HG3 LYS A 112 46.462 -20.290 -15.364 1.00 43.32 H new ATOM 0 HD2 LYS A 112 44.680 -18.674 -16.375 1.00 73.23 H new ATOM 0 HD3 LYS A 112 44.846 -19.623 -17.839 1.00 73.23 H new ATOM 0 HE2 LYS A 112 44.077 -21.615 -16.780 1.00 11.34 H new ATOM 0 HE3 LYS A 112 44.333 -20.966 -15.172 1.00 11.34 H new ATOM 0 HZ1 LYS A 112 41.994 -20.971 -15.754 1.00 22.43 H new ATOM 0 HZ2 LYS A 112 42.538 -19.375 -15.560 1.00 22.43 H new ATOM 0 HZ3 LYS A 112 42.291 -20.004 -17.118 1.00 22.43 H new ATOM 1684 N ASN A 113 50.292 -18.901 -15.577 1.00 21.54 N ATOM 1685 CA ASN A 113 51.711 -18.687 -15.838 1.00 52.53 C ATOM 1686 C ASN A 113 52.128 -19.340 -17.151 1.00 73.32 C ATOM 1687 O ASN A 113 51.673 -20.435 -17.485 1.00 61.42 O ATOM 1688 CB ASN A 113 52.552 -19.241 -14.688 1.00 25.32 C ATOM 1689 CG ASN A 113 52.732 -20.745 -14.777 1.00 71.24 C ATOM 1690 OD1 ASN A 113 51.785 -21.507 -14.582 1.00 3.12 O ATOM 1691 ND2 ASN A 113 53.952 -21.179 -15.075 1.00 40.50 N ATOM 0 H ASN A 113 50.040 -19.871 -15.388 1.00 21.54 H new ATOM 0 HA ASN A 113 51.882 -17.613 -15.918 1.00 52.53 H new ATOM 0 HB2 ASN A 113 53.530 -18.760 -14.692 1.00 25.32 H new ATOM 0 HB3 ASN A 113 52.077 -18.990 -13.740 1.00 25.32 H new ATOM 0 HD21 ASN A 113 54.133 -22.180 -15.150 1.00 40.50 H new ATOM 0 HD22 ASN A 113 54.708 -20.511 -15.229 1.00 40.50 H new ATOM 1698 N LYS A 114 52.998 -18.661 -17.894 1.00 24.44 N ATOM 1699 CA LYS A 114 53.479 -19.177 -19.169 1.00 40.04 C ATOM 1700 C LYS A 114 54.877 -19.771 -19.025 1.00 3.03 C ATOM 1701 O LYS A 114 55.602 -19.485 -18.072 1.00 41.12 O ATOM 1702 CB LYS A 114 53.494 -18.063 -20.219 1.00 64.12 C ATOM 1703 CG LYS A 114 52.350 -18.150 -21.214 1.00 42.14 C ATOM 1704 CD LYS A 114 52.708 -17.487 -22.534 1.00 51.45 C ATOM 1705 CE LYS A 114 52.276 -18.336 -23.719 1.00 23.44 C ATOM 1706 NZ LYS A 114 53.440 -18.982 -24.390 1.00 22.03 N ATOM 0 H LYS A 114 53.383 -17.753 -17.634 1.00 24.44 H new ATOM 0 HA LYS A 114 52.800 -19.966 -19.492 1.00 40.04 H new ATOM 0 HB2 LYS A 114 53.452 -17.098 -19.714 1.00 64.12 H new ATOM 0 HB3 LYS A 114 54.439 -18.098 -20.761 1.00 64.12 H new ATOM 0 HG2 LYS A 114 52.096 -19.196 -21.388 1.00 42.14 H new ATOM 0 HG3 LYS A 114 51.464 -17.673 -20.794 1.00 42.14 H new ATOM 0 HD2 LYS A 114 52.230 -16.509 -22.592 1.00 51.45 H new ATOM 0 HD3 LYS A 114 53.784 -17.319 -22.578 1.00 51.45 H new ATOM 0 HE2 LYS A 114 51.579 -19.103 -23.382 1.00 23.44 H new ATOM 0 HE3 LYS A 114 51.742 -17.713 -24.437 1.00 23.44 H new ATOM 0 HZ1 LYS A 114 53.104 -19.750 -25.005 1.00 22.03 H new ATOM 0 HZ2 LYS A 114 53.946 -18.277 -24.962 1.00 22.03 H new ATOM 0 HZ3 LYS A 114 54.083 -19.371 -23.671 1.00 22.03 H new ATOM 1720 N PRO A 115 55.264 -20.617 -19.990 1.00 51.12 N ATOM 1721 CA PRO A 115 56.578 -21.269 -19.993 1.00 54.24 C ATOM 1722 C PRO A 115 57.711 -20.285 -20.264 1.00 4.41 C ATOM 1723 O PRO A 115 57.687 -19.550 -21.250 1.00 61.14 O ATOM 1724 CB PRO A 115 56.468 -22.284 -21.132 1.00 43.03 C ATOM 1725 CG PRO A 115 55.429 -21.726 -22.040 1.00 52.51 C ATOM 1726 CD PRO A 115 54.450 -21.003 -21.155 1.00 63.50 C ATOM 0 HA PRO A 115 56.814 -21.716 -19.027 1.00 54.24 H new ATOM 0 HB2 PRO A 115 57.421 -22.404 -21.648 1.00 43.03 H new ATOM 0 HB3 PRO A 115 56.181 -23.267 -20.759 1.00 43.03 H new ATOM 0 HG2 PRO A 115 55.872 -21.047 -22.769 1.00 52.51 H new ATOM 0 HG3 PRO A 115 54.935 -22.519 -22.602 1.00 52.51 H new ATOM 0 HD2 PRO A 115 54.024 -20.132 -21.654 1.00 63.50 H new ATOM 0 HD3 PRO A 115 53.617 -21.645 -20.868 1.00 63.50 H new ATOM 1734 N LYS A 116 58.705 -20.276 -19.382 1.00 44.01 N ATOM 1735 CA LYS A 116 59.849 -19.385 -19.525 1.00 50.32 C ATOM 1736 C LYS A 116 61.094 -19.988 -18.882 1.00 1.23 C ATOM 1737 O LYS A 116 61.038 -20.506 -17.768 1.00 22.25 O ATOM 1738 CB LYS A 116 59.544 -18.024 -18.894 1.00 23.44 C ATOM 1739 CG LYS A 116 58.306 -17.353 -19.463 1.00 64.45 C ATOM 1740 CD LYS A 116 58.047 -16.010 -18.802 1.00 73.52 C ATOM 1741 CE LYS A 116 58.614 -14.863 -19.626 1.00 13.13 C ATOM 1742 NZ LYS A 116 60.026 -14.563 -19.261 1.00 63.20 N ATOM 0 H LYS A 116 58.741 -20.878 -18.559 1.00 44.01 H new ATOM 0 HA LYS A 116 60.041 -19.251 -20.589 1.00 50.32 H new ATOM 0 HB2 LYS A 116 59.416 -18.152 -17.819 1.00 23.44 H new ATOM 0 HB3 LYS A 116 60.401 -17.366 -19.037 1.00 23.44 H new ATOM 0 HG2 LYS A 116 58.428 -17.214 -20.537 1.00 64.45 H new ATOM 0 HG3 LYS A 116 57.442 -18.002 -19.322 1.00 64.45 H new ATOM 0 HD2 LYS A 116 56.974 -15.869 -18.671 1.00 73.52 H new ATOM 0 HD3 LYS A 116 58.494 -16.001 -17.808 1.00 73.52 H new ATOM 0 HE2 LYS A 116 58.558 -15.114 -20.685 1.00 13.13 H new ATOM 0 HE3 LYS A 116 58.003 -13.972 -19.477 1.00 13.13 H new ATOM 0 HZ1 LYS A 116 60.085 -13.605 -18.862 1.00 63.20 H new ATOM 0 HZ2 LYS A 116 60.356 -15.253 -18.556 1.00 63.20 H new ATOM 0 HZ3 LYS A 116 60.624 -14.622 -20.110 1.00 63.20 H new ATOM 1756 N GLY A 117 62.216 -19.916 -19.591 1.00 12.31 N ATOM 1757 CA GLY A 117 63.458 -20.457 -19.072 1.00 21.35 C ATOM 1758 C GLY A 117 64.223 -21.252 -20.112 1.00 0.12 C ATOM 1759 O GLY A 117 63.635 -22.019 -20.875 1.00 72.22 O ATOM 0 H GLY A 117 62.287 -19.492 -20.516 1.00 12.31 H new ATOM 0 HA2 GLY A 117 64.083 -19.641 -18.711 1.00 21.35 H new ATOM 0 HA3 GLY A 117 63.243 -21.097 -18.216 1.00 21.35 H new ATOM 1763 N LYS A 118 65.539 -21.070 -20.143 1.00 54.35 N ATOM 1764 CA LYS A 118 66.387 -21.775 -21.097 1.00 12.23 C ATOM 1765 C LYS A 118 67.714 -22.169 -20.458 1.00 44.43 C ATOM 1766 O LYS A 118 68.710 -21.455 -20.581 1.00 43.15 O ATOM 1767 CB LYS A 118 66.641 -20.902 -22.329 1.00 45.50 C ATOM 1768 CG LYS A 118 66.980 -21.696 -23.578 1.00 3.41 C ATOM 1769 CD LYS A 118 66.064 -21.333 -24.734 1.00 31.00 C ATOM 1770 CE LYS A 118 66.789 -21.425 -26.068 1.00 75.41 C ATOM 1771 NZ LYS A 118 67.428 -20.133 -26.442 1.00 32.20 N ATOM 0 H LYS A 118 66.042 -20.440 -19.518 1.00 54.35 H new ATOM 0 HA LYS A 118 65.868 -22.683 -21.404 1.00 12.23 H new ATOM 0 HB2 LYS A 118 65.756 -20.296 -22.523 1.00 45.50 H new ATOM 0 HB3 LYS A 118 67.458 -20.213 -22.114 1.00 45.50 H new ATOM 0 HG2 LYS A 118 68.016 -21.508 -23.860 1.00 3.41 H new ATOM 0 HG3 LYS A 118 66.896 -22.762 -23.367 1.00 3.41 H new ATOM 0 HD2 LYS A 118 65.202 -22.000 -24.740 1.00 31.00 H new ATOM 0 HD3 LYS A 118 65.683 -20.321 -24.594 1.00 31.00 H new ATOM 0 HE2 LYS A 118 67.549 -22.204 -26.015 1.00 75.41 H new ATOM 0 HE3 LYS A 118 66.084 -21.720 -26.845 1.00 75.41 H new ATOM 0 HZ1 LYS A 118 67.912 -20.237 -27.357 1.00 32.20 H new ATOM 0 HZ2 LYS A 118 66.700 -19.394 -26.517 1.00 32.20 H new ATOM 0 HZ3 LYS A 118 68.120 -19.864 -25.713 1.00 32.20 H new ATOM 1785 N LYS A 119 67.723 -23.307 -19.774 1.00 15.01 N ATOM 1786 CA LYS A 119 68.928 -23.798 -19.117 1.00 33.02 C ATOM 1787 C LYS A 119 69.501 -22.744 -18.176 1.00 45.23 C ATOM 1788 O LYS A 119 70.713 -22.663 -17.983 1.00 42.42 O ATOM 1789 CB LYS A 119 69.977 -24.191 -20.159 1.00 62.31 C ATOM 1790 CG LYS A 119 70.848 -25.360 -19.734 1.00 45.20 C ATOM 1791 CD LYS A 119 72.320 -24.984 -19.720 1.00 42.14 C ATOM 1792 CE LYS A 119 73.101 -25.820 -18.719 1.00 25.43 C ATOM 1793 NZ LYS A 119 74.342 -26.386 -19.317 1.00 61.33 N ATOM 0 H LYS A 119 66.907 -23.908 -19.660 1.00 15.01 H new ATOM 0 HA LYS A 119 68.660 -24.677 -18.531 1.00 33.02 H new ATOM 0 HB2 LYS A 119 69.473 -24.444 -21.092 1.00 62.31 H new ATOM 0 HB3 LYS A 119 70.613 -23.330 -20.364 1.00 62.31 H new ATOM 0 HG2 LYS A 119 70.548 -25.696 -18.741 1.00 45.20 H new ATOM 0 HG3 LYS A 119 70.692 -26.197 -20.414 1.00 45.20 H new ATOM 0 HD2 LYS A 119 72.741 -25.121 -20.716 1.00 42.14 H new ATOM 0 HD3 LYS A 119 72.424 -23.928 -19.473 1.00 42.14 H new ATOM 0 HE2 LYS A 119 73.361 -25.205 -17.857 1.00 25.43 H new ATOM 0 HE3 LYS A 119 72.471 -26.631 -18.354 1.00 25.43 H new ATOM 0 HZ1 LYS A 119 74.846 -26.949 -18.603 1.00 61.33 H new ATOM 0 HZ2 LYS A 119 74.093 -26.993 -20.124 1.00 61.33 H new ATOM 0 HZ3 LYS A 119 74.955 -25.611 -19.643 1.00 61.33 H new ATOM 1807 N GLY A 120 68.620 -21.939 -17.588 1.00 64.31 N ATOM 1808 CA GLY A 120 69.059 -20.902 -16.673 1.00 41.11 C ATOM 1809 C GLY A 120 70.128 -20.011 -17.273 1.00 15.22 C ATOM 1810 O GLY A 120 70.972 -19.473 -16.558 1.00 63.33 O ATOM 0 H GLY A 120 67.611 -21.987 -17.729 1.00 64.31 H new ATOM 0 HA2 GLY A 120 68.203 -20.292 -16.383 1.00 41.11 H new ATOM 0 HA3 GLY A 120 69.444 -21.364 -15.764 1.00 41.11 H new ATOM 1814 N LYS A 121 70.094 -19.857 -18.593 1.00 61.44 N ATOM 1815 CA LYS A 121 71.067 -19.026 -19.293 1.00 5.23 C ATOM 1816 C LYS A 121 72.489 -19.511 -19.024 1.00 13.11 C ATOM 1817 O LYS A 121 73.113 -19.123 -18.037 1.00 32.10 O ATOM 1818 CB LYS A 121 70.927 -17.566 -18.859 1.00 51.34 C ATOM 1819 CG LYS A 121 71.817 -16.611 -19.637 1.00 52.31 C ATOM 1820 CD LYS A 121 72.474 -15.592 -18.722 1.00 64.42 C ATOM 1821 CE LYS A 121 73.800 -15.106 -19.292 1.00 13.43 C ATOM 1822 NZ LYS A 121 74.921 -15.299 -18.332 1.00 11.44 N ATOM 0 H LYS A 121 69.402 -20.297 -19.200 1.00 61.44 H new ATOM 0 HA LYS A 121 70.870 -19.102 -20.362 1.00 5.23 H new ATOM 0 HB2 LYS A 121 69.888 -17.259 -18.977 1.00 51.34 H new ATOM 0 HB3 LYS A 121 71.164 -17.487 -17.798 1.00 51.34 H new ATOM 0 HG2 LYS A 121 72.585 -17.176 -20.165 1.00 52.31 H new ATOM 0 HG3 LYS A 121 71.225 -16.095 -20.393 1.00 52.31 H new ATOM 0 HD2 LYS A 121 71.805 -14.744 -18.580 1.00 64.42 H new ATOM 0 HD3 LYS A 121 72.639 -16.036 -17.740 1.00 64.42 H new ATOM 0 HE2 LYS A 121 74.017 -15.643 -20.216 1.00 13.43 H new ATOM 0 HE3 LYS A 121 73.720 -14.050 -19.549 1.00 13.43 H new ATOM 0 HZ1 LYS A 121 75.806 -14.956 -18.758 1.00 11.44 H new ATOM 0 HZ2 LYS A 121 74.727 -14.766 -17.460 1.00 11.44 H new ATOM 0 HZ3 LYS A 121 75.015 -16.310 -18.107 1.00 11.44 H new ATOM 1836 N GLY A 122 72.996 -20.363 -19.912 1.00 43.04 N ATOM 1837 CA GLY A 122 74.341 -20.886 -19.754 1.00 0.31 C ATOM 1838 C GLY A 122 75.125 -20.871 -21.051 1.00 13.40 C ATOM 1839 O GLY A 122 74.554 -20.696 -22.128 1.00 51.14 O ATOM 0 H GLY A 122 72.499 -20.700 -20.737 1.00 43.04 H new ATOM 0 HA2 GLY A 122 74.871 -20.297 -19.006 1.00 0.31 H new ATOM 0 HA3 GLY A 122 74.288 -21.907 -19.377 1.00 0.31 H new ATOM 1843 N LYS A 123 76.436 -21.054 -20.950 1.00 0.50 N ATOM 1844 CA LYS A 123 77.301 -21.061 -22.123 1.00 63.22 C ATOM 1845 C LYS A 123 78.327 -22.187 -22.037 1.00 15.24 C ATOM 1846 O LYS A 123 78.942 -22.400 -20.994 1.00 22.11 O ATOM 1847 CB LYS A 123 78.017 -19.715 -22.263 1.00 15.04 C ATOM 1848 CG LYS A 123 78.675 -19.515 -23.617 1.00 25.33 C ATOM 1849 CD LYS A 123 80.180 -19.350 -23.486 1.00 41.34 C ATOM 1850 CE LYS A 123 80.721 -18.351 -24.496 1.00 53.25 C ATOM 1851 NZ LYS A 123 81.630 -17.356 -23.861 1.00 54.40 N ATOM 0 H LYS A 123 76.924 -21.200 -20.066 1.00 0.50 H new ATOM 0 HA LYS A 123 76.677 -21.228 -23.001 1.00 63.22 H new ATOM 0 HB2 LYS A 123 77.299 -18.912 -22.095 1.00 15.04 H new ATOM 0 HB3 LYS A 123 78.775 -19.633 -21.484 1.00 15.04 H new ATOM 0 HG2 LYS A 123 78.456 -20.368 -24.259 1.00 25.33 H new ATOM 0 HG3 LYS A 123 78.252 -18.635 -24.102 1.00 25.33 H new ATOM 0 HD2 LYS A 123 80.424 -19.017 -22.477 1.00 41.34 H new ATOM 0 HD3 LYS A 123 80.667 -20.315 -23.630 1.00 41.34 H new ATOM 0 HE2 LYS A 123 81.257 -18.883 -25.282 1.00 53.25 H new ATOM 0 HE3 LYS A 123 79.890 -17.831 -24.973 1.00 53.25 H new ATOM 0 HZ1 LYS A 123 81.977 -16.693 -24.583 1.00 54.40 H new ATOM 0 HZ2 LYS A 123 81.112 -16.830 -23.129 1.00 54.40 H new ATOM 0 HZ3 LYS A 123 82.436 -17.849 -23.428 1.00 54.40 H new ATOM 1865 N GLY A 124 78.506 -22.904 -23.142 1.00 13.24 N ATOM 1866 CA GLY A 124 79.459 -23.999 -23.170 1.00 53.24 C ATOM 1867 C GLY A 124 80.767 -23.612 -23.829 1.00 50.31 C ATOM 1868 O GLY A 124 81.287 -22.521 -23.598 1.00 31.24 O ATOM 0 H GLY A 124 78.008 -22.746 -24.018 1.00 13.24 H new ATOM 0 HA2 GLY A 124 79.654 -24.333 -22.151 1.00 53.24 H new ATOM 0 HA3 GLY A 124 79.022 -24.843 -23.704 1.00 53.24 H new ATOM 1872 N ASN A 125 81.303 -24.509 -24.650 1.00 54.22 N ATOM 1873 CA ASN A 125 82.560 -24.256 -25.343 1.00 64.13 C ATOM 1874 C ASN A 125 82.363 -24.278 -26.856 1.00 51.10 C ATOM 1875 O ASN A 125 81.235 -24.352 -27.343 1.00 65.04 O ATOM 1876 CB ASN A 125 83.607 -25.297 -24.940 1.00 54.54 C ATOM 1877 CG ASN A 125 84.969 -24.680 -24.690 1.00 60.45 C ATOM 1878 OD1 ASN A 125 85.724 -24.413 -25.627 1.00 1.43 O ATOM 1879 ND2 ASN A 125 85.291 -24.449 -23.423 1.00 25.14 N ATOM 1880 OXT ASN A 125 83.341 -24.221 -27.598 1.00 0.00 O ATOM 0 H ASN A 125 80.886 -25.418 -24.851 1.00 54.22 H new ATOM 0 HA ASN A 125 82.911 -23.265 -25.055 1.00 64.13 H new ATOM 0 HB2 ASN A 125 83.274 -25.813 -24.040 1.00 54.54 H new ATOM 0 HB3 ASN A 125 83.690 -26.048 -25.726 1.00 54.54 H new ATOM 0 HD21 ASN A 125 86.194 -24.035 -23.194 1.00 25.14 H new ATOM 0 HD22 ASN A 125 84.635 -24.686 -22.679 1.00 25.14 H new TER 1887 ASN A 125