USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 938 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 75 ASN : amide:sc= 0.157 K(o=0.4,f=1.4) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0.24 USER MOD Set 2.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 GLN : amide:sc= 0 K(o=-0.35,f=0.74) USER MOD Set 2.3: A 37 GLN : amide:sc= -0.348 X(o=-0.35,f=0.037) USER MOD Set 3.1: A 14 ASN : amide:sc= -0.27 K(o=2.4,f=-5.4!) USER MOD Set 3.2: A 31 ASN : amide:sc= 1.48 K(o=2.4,f=-6.3!) USER MOD Set 3.3: A 33 SER OG : rot 97:sc= 1.17 USER MOD Set 4.1: A 7 HIS : no HD1:sc=-0.000242 X(o=-0.00024,f=-0.1) USER MOD Set 4.2: A 8 HIS : no HD1:sc= 0 X(o=-0.00024,f=-0.1) USER MOD Single : A 1 MET CE :methyl -161:sc= -0.132 (180deg=-0.642) USER MOD Single : A 1 MET N :NH3+ 131:sc= 0.0406 (180deg=-0.0137) USER MOD Single : A 3 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0.0064) USER MOD Single : A 4 HIS : no HD1:sc= -0.0232 X(o=-0.023,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 44:sc= 0.565 USER MOD Single : A 10 HIS : no HD1:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 12 THR OG1 : rot 111:sc= 0.098 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.273 USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= -0.0574 (180deg=-0.747) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= 0.433 (180deg=0.0699) USER MOD Single : A 32 THR OG1 : rot -72:sc= 0.94 USER MOD Single : A 39 MET CE :methyl -133:sc= -1.99 (180deg=-6.08!) USER MOD Single : A 44 MET CE :methyl 141:sc= -0.87 (180deg=-3.93!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -1.52! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 150:sc= -0.144 USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.125 USER MOD Single : A 59 SER OG : rot -35:sc= 0.893 USER MOD Single : A 61 TYR OH : rot -23:sc= -0.693 USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= -0.0459 (180deg=-0.299) USER MOD Single : A 67 GLN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 68 THR OG1 : rot 28:sc= 0.589 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -1.24 X(o=-1.2,f=-1.6!) USER MOD Single : A 91 GLN : amide:sc= -0.0266 K(o=-0.027,f=-1.2) USER MOD Single : A 92 ASN : amide:sc=-0.000465 K(o=-0.00046,f=-3.5!) USER MOD Single : A 96 THR OG1 : rot -49:sc= 0.836 USER MOD Single : A 101 LYS NZ :NH3+ -140:sc= -0.641 (180deg=-2.29!) USER MOD Single : A 105 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.345) USER MOD Single : A 106 ASN : amide:sc= 0.0398 K(o=0.04,f=-5.5!) USER MOD Single : A 107 SER OG : rot -48:sc= 1.16 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.011) USER MOD Single : A 116 SER OG : rot 166:sc= 0.418 USER MOD Single : A 117 THR OG1 : rot 42:sc= -0.367 USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= 1.26 (180deg=1.14) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot -2:sc= 0.264 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.302 -4.008 -14.575 1.00 71.03 N ATOM 2 CA MET A 1 -10.011 -5.109 -15.532 1.00 20.34 C ATOM 3 C MET A 1 -11.019 -6.257 -15.390 1.00 50.41 C ATOM 4 O MET A 1 -11.583 -6.466 -14.317 1.00 11.04 O ATOM 5 CB MET A 1 -8.587 -5.643 -15.320 1.00 13.25 C ATOM 6 CG MET A 1 -8.352 -6.242 -13.940 1.00 35.32 C ATOM 7 SD MET A 1 -6.716 -6.980 -13.774 1.00 34.22 S ATOM 8 CE MET A 1 -6.818 -8.332 -14.946 1.00 23.24 C ATOM 0 H1 MET A 1 -9.429 -3.743 -14.075 1.00 71.03 H new ATOM 0 H2 MET A 1 -10.668 -3.184 -15.094 1.00 71.03 H new ATOM 0 H3 MET A 1 -11.013 -4.326 -13.886 1.00 71.03 H new ATOM 0 HA MET A 1 -10.097 -4.699 -16.538 1.00 20.34 H new ATOM 0 HB2 MET A 1 -8.378 -6.401 -16.075 1.00 13.25 H new ATOM 0 HB3 MET A 1 -7.878 -4.831 -15.478 1.00 13.25 H new ATOM 0 HG2 MET A 1 -8.474 -5.465 -13.185 1.00 35.32 H new ATOM 0 HG3 MET A 1 -9.110 -7.000 -13.743 1.00 35.32 H new ATOM 0 HE1 MET A 1 -6.043 -9.066 -14.723 1.00 23.24 H new ATOM 0 HE2 MET A 1 -7.797 -8.805 -14.872 1.00 23.24 H new ATOM 0 HE3 MET A 1 -6.675 -7.949 -15.957 1.00 23.24 H new ATOM 20 N GLY A 2 -11.227 -7.004 -16.474 1.00 34.42 N ATOM 21 CA GLY A 2 -12.172 -8.117 -16.459 1.00 74.44 C ATOM 22 C GLY A 2 -11.753 -9.258 -15.533 1.00 24.41 C ATOM 23 O GLY A 2 -10.727 -9.906 -15.753 1.00 51.04 O ATOM 0 H GLY A 2 -10.757 -6.859 -17.367 1.00 34.42 H new ATOM 0 HA2 GLY A 2 -13.150 -7.749 -16.150 1.00 74.44 H new ATOM 0 HA3 GLY A 2 -12.283 -8.503 -17.472 1.00 74.44 H new ATOM 27 N HIS A 3 -12.552 -9.515 -14.500 1.00 21.20 N ATOM 28 CA HIS A 3 -12.247 -10.570 -13.526 1.00 35.30 C ATOM 29 C HIS A 3 -13.503 -11.378 -13.158 1.00 52.01 C ATOM 30 O HIS A 3 -14.631 -10.947 -13.415 1.00 60.11 O ATOM 31 CB HIS A 3 -11.624 -9.963 -12.259 1.00 42.14 C ATOM 32 CG HIS A 3 -12.560 -9.078 -11.492 1.00 31.32 C ATOM 33 ND1 HIS A 3 -13.045 -9.399 -10.243 1.00 25.21 N ATOM 34 CD2 HIS A 3 -13.100 -7.874 -11.800 1.00 60.44 C ATOM 35 CE1 HIS A 3 -13.840 -8.438 -9.820 1.00 64.41 C ATOM 36 NE2 HIS A 3 -13.890 -7.501 -10.742 1.00 31.41 N ATOM 0 H HIS A 3 -13.417 -9.009 -14.312 1.00 21.20 H new ATOM 0 HA HIS A 3 -11.532 -11.250 -13.988 1.00 35.30 H new ATOM 0 HB2 HIS A 3 -11.286 -10.770 -11.609 1.00 42.14 H new ATOM 0 HB3 HIS A 3 -10.741 -9.388 -12.539 1.00 42.14 H new ATOM 0 HD2 HIS A 3 -12.939 -7.313 -12.709 1.00 60.44 H new ATOM 0 HE1 HIS A 3 -14.363 -8.422 -8.875 1.00 64.41 H new ATOM 0 HE2 HIS A 3 -14.429 -6.637 -10.680 1.00 31.41 H new ATOM 45 N HIS A 4 -13.296 -12.536 -12.535 1.00 10.22 N ATOM 46 CA HIS A 4 -14.402 -13.413 -12.130 1.00 31.50 C ATOM 47 C HIS A 4 -15.251 -12.757 -11.028 1.00 31.21 C ATOM 48 O HIS A 4 -14.948 -12.873 -9.839 1.00 43.12 O ATOM 49 CB HIS A 4 -13.864 -14.772 -11.652 1.00 25.54 C ATOM 50 CG HIS A 4 -13.173 -15.565 -12.726 1.00 3.20 C ATOM 51 ND1 HIS A 4 -13.672 -16.747 -13.222 1.00 13.10 N ATOM 52 CD2 HIS A 4 -12.016 -15.344 -13.397 1.00 34.22 C ATOM 53 CE1 HIS A 4 -12.862 -17.219 -14.145 1.00 4.10 C ATOM 54 NE2 HIS A 4 -11.848 -16.389 -14.274 1.00 11.35 N ATOM 0 H HIS A 4 -12.371 -12.893 -12.297 1.00 10.22 H new ATOM 0 HA HIS A 4 -15.039 -13.575 -12.999 1.00 31.50 H new ATOM 0 HB2 HIS A 4 -13.167 -14.607 -10.830 1.00 25.54 H new ATOM 0 HB3 HIS A 4 -14.691 -15.360 -11.255 1.00 25.54 H new ATOM 0 HD2 HIS A 4 -11.350 -14.504 -13.267 1.00 34.22 H new ATOM 0 HE1 HIS A 4 -13.005 -18.133 -14.703 1.00 4.10 H new ATOM 0 HE2 HIS A 4 -11.066 -16.503 -14.919 1.00 11.35 H new ATOM 63 N HIS A 5 -16.296 -12.040 -11.435 1.00 10.01 N ATOM 64 CA HIS A 5 -17.182 -11.352 -10.492 1.00 72.22 C ATOM 65 C HIS A 5 -18.233 -12.314 -9.918 1.00 42.44 C ATOM 66 O HIS A 5 -18.926 -13.010 -10.658 1.00 51.44 O ATOM 67 CB HIS A 5 -17.863 -10.162 -11.182 1.00 64.32 C ATOM 68 CG HIS A 5 -18.762 -9.366 -10.283 1.00 12.33 C ATOM 69 ND1 HIS A 5 -20.063 -9.057 -10.604 1.00 53.52 N ATOM 70 CD2 HIS A 5 -18.534 -8.800 -9.072 1.00 1.25 C ATOM 71 CE1 HIS A 5 -20.596 -8.340 -9.638 1.00 43.41 C ATOM 72 NE2 HIS A 5 -19.691 -8.170 -8.696 1.00 32.20 N ATOM 0 H HIS A 5 -16.553 -11.919 -12.415 1.00 10.01 H new ATOM 0 HA HIS A 5 -16.579 -10.983 -9.663 1.00 72.22 H new ATOM 0 HB2 HIS A 5 -17.095 -9.503 -11.587 1.00 64.32 H new ATOM 0 HB3 HIS A 5 -18.445 -10.530 -12.027 1.00 64.32 H new ATOM 0 HD2 HIS A 5 -17.613 -8.839 -8.509 1.00 1.25 H new ATOM 0 HE1 HIS A 5 -21.605 -7.956 -9.620 1.00 43.41 H new ATOM 0 HE2 HIS A 5 -19.829 -7.653 -7.828 1.00 32.20 H new ATOM 81 N HIS A 6 -18.339 -12.347 -8.592 1.00 12.11 N ATOM 82 CA HIS A 6 -19.285 -13.236 -7.907 1.00 52.12 C ATOM 83 C HIS A 6 -20.483 -12.447 -7.349 1.00 42.24 C ATOM 84 O HIS A 6 -20.518 -11.220 -7.433 1.00 71.13 O ATOM 85 CB HIS A 6 -18.568 -13.982 -6.772 1.00 20.40 C ATOM 86 CG HIS A 6 -17.344 -14.725 -7.226 1.00 45.32 C ATOM 87 ND1 HIS A 6 -17.379 -16.029 -7.664 1.00 53.51 N ATOM 88 CD2 HIS A 6 -16.047 -14.336 -7.318 1.00 12.32 C ATOM 89 CE1 HIS A 6 -16.165 -16.413 -8.005 1.00 73.43 C ATOM 90 NE2 HIS A 6 -15.341 -15.406 -7.807 1.00 33.04 N ATOM 0 H HIS A 6 -17.781 -11.768 -7.965 1.00 12.11 H new ATOM 0 HA HIS A 6 -19.665 -13.957 -8.631 1.00 52.12 H new ATOM 0 HB2 HIS A 6 -18.284 -13.267 -6.000 1.00 20.40 H new ATOM 0 HB3 HIS A 6 -19.263 -14.686 -6.315 1.00 20.40 H new ATOM 0 HD2 HIS A 6 -15.647 -13.368 -7.056 1.00 12.32 H new ATOM 0 HE1 HIS A 6 -15.893 -17.388 -8.382 1.00 73.43 H new ATOM 0 HE2 HIS A 6 -14.337 -15.419 -7.988 1.00 33.04 H new ATOM 99 N HIS A 7 -21.465 -13.155 -6.786 1.00 4.54 N ATOM 100 CA HIS A 7 -22.635 -12.503 -6.181 1.00 4.13 C ATOM 101 C HIS A 7 -22.593 -12.611 -4.648 1.00 51.10 C ATOM 102 O HIS A 7 -22.192 -13.641 -4.106 1.00 4.20 O ATOM 103 CB HIS A 7 -23.943 -13.086 -6.743 1.00 61.20 C ATOM 104 CG HIS A 7 -24.089 -14.575 -6.597 1.00 53.15 C ATOM 105 ND1 HIS A 7 -23.582 -15.477 -7.505 1.00 71.22 N ATOM 106 CD2 HIS A 7 -24.725 -15.316 -5.660 1.00 12.00 C ATOM 107 CE1 HIS A 7 -23.899 -16.700 -7.138 1.00 25.30 C ATOM 108 NE2 HIS A 7 -24.595 -16.634 -6.021 1.00 4.40 N ATOM 0 H HIS A 7 -21.476 -14.174 -6.735 1.00 4.54 H new ATOM 0 HA HIS A 7 -22.603 -11.445 -6.442 1.00 4.13 H new ATOM 0 HB2 HIS A 7 -24.783 -12.603 -6.243 1.00 61.20 H new ATOM 0 HB3 HIS A 7 -24.012 -12.831 -7.801 1.00 61.20 H new ATOM 0 HD2 HIS A 7 -25.240 -14.940 -4.789 1.00 12.00 H new ATOM 0 HE1 HIS A 7 -23.634 -17.605 -7.664 1.00 25.30 H new ATOM 0 HE2 HIS A 7 -24.974 -17.431 -5.509 1.00 4.40 H new ATOM 117 N HIS A 8 -23.014 -11.541 -3.963 1.00 24.50 N ATOM 118 CA HIS A 8 -22.891 -11.423 -2.497 1.00 13.33 C ATOM 119 C HIS A 8 -21.420 -11.276 -2.058 1.00 71.11 C ATOM 120 O HIS A 8 -21.107 -11.362 -0.870 1.00 33.43 O ATOM 121 CB HIS A 8 -23.535 -12.622 -1.776 1.00 70.31 C ATOM 122 CG HIS A 8 -25.009 -12.752 -2.006 1.00 32.42 C ATOM 123 ND1 HIS A 8 -25.602 -13.897 -2.492 1.00 30.30 N ATOM 124 CD2 HIS A 8 -26.019 -11.880 -1.780 1.00 44.00 C ATOM 125 CE1 HIS A 8 -26.906 -13.722 -2.557 1.00 1.25 C ATOM 126 NE2 HIS A 8 -27.185 -12.509 -2.131 1.00 50.24 N ATOM 0 H HIS A 8 -23.450 -10.731 -4.405 1.00 24.50 H new ATOM 0 HA HIS A 8 -23.427 -10.518 -2.212 1.00 13.33 H new ATOM 0 HB2 HIS A 8 -23.044 -13.538 -2.106 1.00 70.31 H new ATOM 0 HB3 HIS A 8 -23.352 -12.530 -0.705 1.00 70.31 H new ATOM 0 HD2 HIS A 8 -25.924 -10.876 -1.395 1.00 44.00 H new ATOM 0 HE1 HIS A 8 -27.624 -14.451 -2.902 1.00 1.25 H new ATOM 0 HE2 HIS A 8 -28.118 -12.102 -2.072 1.00 50.24 H new ATOM 135 N SER A 9 -20.528 -11.035 -3.020 1.00 44.32 N ATOM 136 CA SER A 9 -19.092 -10.887 -2.736 1.00 14.33 C ATOM 137 C SER A 9 -18.762 -9.483 -2.212 1.00 35.32 C ATOM 138 O SER A 9 -18.531 -8.555 -2.989 1.00 25.22 O ATOM 139 CB SER A 9 -18.258 -11.182 -3.995 1.00 3.02 C ATOM 140 OG SER A 9 -18.631 -10.342 -5.083 1.00 63.34 O ATOM 0 H SER A 9 -20.771 -10.937 -4.006 1.00 44.32 H new ATOM 0 HA SER A 9 -18.838 -11.609 -1.960 1.00 14.33 H new ATOM 0 HB2 SER A 9 -17.200 -11.041 -3.772 1.00 3.02 H new ATOM 0 HB3 SER A 9 -18.387 -12.226 -4.281 1.00 3.02 H new ATOM 0 HG SER A 9 -18.735 -9.421 -4.764 1.00 63.34 H new ATOM 146 N HIS A 10 -18.759 -9.327 -0.888 1.00 54.32 N ATOM 147 CA HIS A 10 -18.494 -8.027 -0.257 1.00 54.21 C ATOM 148 C HIS A 10 -17.679 -8.179 1.039 1.00 2.41 C ATOM 149 O HIS A 10 -18.083 -8.891 1.961 1.00 51.44 O ATOM 150 CB HIS A 10 -19.815 -7.297 0.045 1.00 51.01 C ATOM 151 CG HIS A 10 -20.622 -6.985 -1.178 1.00 63.34 C ATOM 152 ND1 HIS A 10 -20.270 -6.003 -2.078 1.00 52.21 N ATOM 153 CD2 HIS A 10 -21.760 -7.540 -1.661 1.00 51.05 C ATOM 154 CE1 HIS A 10 -21.149 -5.968 -3.055 1.00 2.24 C ATOM 155 NE2 HIS A 10 -22.063 -6.888 -2.829 1.00 45.55 N ATOM 0 H HIS A 10 -18.937 -10.084 -0.228 1.00 54.32 H new ATOM 0 HA HIS A 10 -17.906 -7.438 -0.961 1.00 54.21 H new ATOM 0 HB2 HIS A 10 -20.414 -7.911 0.718 1.00 51.01 H new ATOM 0 HB3 HIS A 10 -19.595 -6.368 0.571 1.00 51.01 H new ATOM 0 HD2 HIS A 10 -22.323 -8.345 -1.211 1.00 51.05 H new ATOM 0 HE1 HIS A 10 -21.125 -5.297 -3.901 1.00 2.24 H new ATOM 0 HE2 HIS A 10 -22.866 -7.084 -3.426 1.00 45.55 H new ATOM 164 N MET A 11 -16.530 -7.507 1.100 1.00 53.50 N ATOM 165 CA MET A 11 -15.689 -7.492 2.306 1.00 32.01 C ATOM 166 C MET A 11 -15.310 -6.053 2.689 1.00 63.14 C ATOM 167 O MET A 11 -15.093 -5.207 1.820 1.00 71.44 O ATOM 168 CB MET A 11 -14.421 -8.333 2.090 1.00 41.11 C ATOM 169 CG MET A 11 -14.690 -9.827 1.954 1.00 3.54 C ATOM 170 SD MET A 11 -15.486 -10.517 3.420 1.00 53.22 S ATOM 171 CE MET A 11 -15.620 -12.244 2.956 1.00 52.03 C ATOM 0 H MET A 11 -16.155 -6.961 0.325 1.00 53.50 H new ATOM 0 HA MET A 11 -16.263 -7.928 3.124 1.00 32.01 H new ATOM 0 HB2 MET A 11 -13.912 -7.982 1.193 1.00 41.11 H new ATOM 0 HB3 MET A 11 -13.741 -8.170 2.926 1.00 41.11 H new ATOM 0 HG2 MET A 11 -15.322 -10.002 1.084 1.00 3.54 H new ATOM 0 HG3 MET A 11 -13.750 -10.348 1.775 1.00 3.54 H new ATOM 0 HE1 MET A 11 -16.094 -12.802 3.764 1.00 52.03 H new ATOM 0 HE2 MET A 11 -16.222 -12.332 2.052 1.00 52.03 H new ATOM 0 HE3 MET A 11 -14.625 -12.649 2.770 1.00 52.03 H new ATOM 181 N THR A 12 -15.230 -5.785 3.990 1.00 43.31 N ATOM 182 CA THR A 12 -14.953 -4.431 4.492 1.00 42.14 C ATOM 183 C THR A 12 -13.482 -4.024 4.292 1.00 72.12 C ATOM 184 O THR A 12 -13.166 -3.222 3.413 1.00 63.45 O ATOM 185 CB THR A 12 -15.323 -4.302 5.992 1.00 13.20 C ATOM 186 OG1 THR A 12 -14.572 -5.246 6.776 1.00 53.10 O ATOM 187 CG2 THR A 12 -16.817 -4.540 6.206 1.00 3.22 C ATOM 0 H THR A 12 -15.353 -6.485 4.721 1.00 43.31 H new ATOM 0 HA THR A 12 -15.576 -3.755 3.907 1.00 42.14 H new ATOM 0 HB THR A 12 -15.077 -3.289 6.312 1.00 13.20 H new ATOM 0 HG1 THR A 12 -13.923 -4.766 7.332 1.00 53.10 H new ATOM 0 HG21 THR A 12 -17.053 -4.444 7.266 1.00 3.22 H new ATOM 0 HG22 THR A 12 -17.387 -3.804 5.640 1.00 3.22 H new ATOM 0 HG23 THR A 12 -17.078 -5.542 5.865 1.00 3.22 H new ATOM 195 N GLY A 13 -12.587 -4.581 5.103 1.00 52.10 N ATOM 196 CA GLY A 13 -11.168 -4.258 4.991 1.00 23.42 C ATOM 197 C GLY A 13 -10.263 -5.313 5.617 1.00 3.44 C ATOM 198 O GLY A 13 -10.115 -5.369 6.838 1.00 53.25 O ATOM 0 H GLY A 13 -12.815 -5.251 5.837 1.00 52.10 H new ATOM 0 HA2 GLY A 13 -10.909 -4.145 3.938 1.00 23.42 H new ATOM 0 HA3 GLY A 13 -10.981 -3.297 5.470 1.00 23.42 H new ATOM 202 N ASN A 14 -9.663 -6.161 4.781 1.00 10.11 N ATOM 203 CA ASN A 14 -8.754 -7.211 5.262 1.00 11.44 C ATOM 204 C ASN A 14 -7.276 -6.842 5.031 1.00 0.42 C ATOM 205 O ASN A 14 -6.432 -7.049 5.902 1.00 13.41 O ATOM 206 CB ASN A 14 -9.073 -8.553 4.585 1.00 72.30 C ATOM 207 CG ASN A 14 -8.963 -8.495 3.070 1.00 11.45 C ATOM 208 OD1 ASN A 14 -9.242 -7.473 2.453 1.00 60.45 O ATOM 209 ND2 ASN A 14 -8.539 -9.583 2.458 1.00 14.33 N ATOM 0 H ASN A 14 -9.787 -6.144 3.769 1.00 10.11 H new ATOM 0 HA ASN A 14 -8.910 -7.305 6.337 1.00 11.44 H new ATOM 0 HB2 ASN A 14 -8.393 -9.316 4.964 1.00 72.30 H new ATOM 0 HB3 ASN A 14 -10.082 -8.861 4.859 1.00 72.30 H new ATOM 0 HD21 ASN A 14 -8.435 -9.590 1.443 1.00 14.33 H new ATOM 0 HD22 ASN A 14 -8.315 -10.418 2.999 1.00 14.33 H new ATOM 216 N VAL A 15 -6.965 -6.304 3.855 1.00 0.33 N ATOM 217 CA VAL A 15 -5.583 -5.946 3.513 1.00 64.04 C ATOM 218 C VAL A 15 -5.214 -4.551 4.043 1.00 0.11 C ATOM 219 O VAL A 15 -5.605 -3.535 3.472 1.00 32.43 O ATOM 220 CB VAL A 15 -5.356 -5.996 1.981 1.00 41.11 C ATOM 221 CG1 VAL A 15 -3.902 -5.682 1.626 1.00 24.21 C ATOM 222 CG2 VAL A 15 -5.770 -7.357 1.425 1.00 73.42 C ATOM 0 H VAL A 15 -7.646 -6.105 3.122 1.00 0.33 H new ATOM 0 HA VAL A 15 -4.937 -6.682 3.992 1.00 64.04 H new ATOM 0 HB VAL A 15 -5.981 -5.230 1.521 1.00 41.11 H new ATOM 0 HG11 VAL A 15 -3.774 -5.725 0.544 1.00 24.21 H new ATOM 0 HG12 VAL A 15 -3.648 -4.684 1.982 1.00 24.21 H new ATOM 0 HG13 VAL A 15 -3.246 -6.413 2.098 1.00 24.21 H new ATOM 0 HG21 VAL A 15 -5.604 -7.376 0.348 1.00 73.42 H new ATOM 0 HG22 VAL A 15 -5.175 -8.139 1.897 1.00 73.42 H new ATOM 0 HG23 VAL A 15 -6.826 -7.529 1.633 1.00 73.42 H new ATOM 232 N CYS A 16 -4.459 -4.512 5.140 1.00 21.51 N ATOM 233 CA CYS A 16 -4.043 -3.240 5.754 1.00 40.21 C ATOM 234 C CYS A 16 -2.515 -3.126 5.825 1.00 11.54 C ATOM 235 O CYS A 16 -1.813 -4.129 5.961 1.00 15.52 O ATOM 236 CB CYS A 16 -4.627 -3.105 7.165 1.00 32.34 C ATOM 237 SG CYS A 16 -4.177 -1.561 7.997 1.00 65.10 S ATOM 0 H CYS A 16 -4.120 -5.343 5.626 1.00 21.51 H new ATOM 0 HA CYS A 16 -4.424 -2.436 5.124 1.00 40.21 H new ATOM 0 HB2 CYS A 16 -5.713 -3.172 7.107 1.00 32.34 H new ATOM 0 HB3 CYS A 16 -4.288 -3.945 7.771 1.00 32.34 H new ATOM 0 HG CYS A 16 -4.715 -1.533 9.180 1.00 65.10 H new ATOM 243 N ILE A 17 -2.004 -1.896 5.755 1.00 2.34 N ATOM 244 CA ILE A 17 -0.554 -1.651 5.754 1.00 32.14 C ATOM 245 C ILE A 17 0.121 -2.128 7.056 1.00 22.31 C ATOM 246 O ILE A 17 -0.354 -1.842 8.156 1.00 24.41 O ATOM 247 CB ILE A 17 -0.240 -0.141 5.557 1.00 71.30 C ATOM 248 CG1 ILE A 17 -0.874 0.375 4.254 1.00 75.51 C ATOM 249 CG2 ILE A 17 1.273 0.102 5.553 1.00 44.20 C ATOM 250 CD1 ILE A 17 -0.645 1.852 4.001 1.00 31.33 C ATOM 0 H ILE A 17 -2.571 -1.050 5.698 1.00 2.34 H new ATOM 0 HA ILE A 17 -0.152 -2.226 4.920 1.00 32.14 H new ATOM 0 HB ILE A 17 -0.671 0.410 6.393 1.00 71.30 H new ATOM 0 HG12 ILE A 17 -0.471 -0.194 3.416 1.00 75.51 H new ATOM 0 HG13 ILE A 17 -1.947 0.184 4.283 1.00 75.51 H new ATOM 0 HG21 ILE A 17 1.470 1.165 5.414 1.00 44.20 H new ATOM 0 HG22 ILE A 17 1.696 -0.224 6.503 1.00 44.20 H new ATOM 0 HG23 ILE A 17 1.730 -0.461 4.739 1.00 44.20 H new ATOM 0 HD11 ILE A 17 -1.122 2.139 3.064 1.00 31.33 H new ATOM 0 HD12 ILE A 17 -1.073 2.432 4.819 1.00 31.33 H new ATOM 0 HD13 ILE A 17 0.425 2.049 3.938 1.00 31.33 H new ATOM 262 N GLU A 18 1.226 -2.862 6.925 1.00 44.01 N ATOM 263 CA GLU A 18 2.028 -3.256 8.087 1.00 63.14 C ATOM 264 C GLU A 18 3.009 -2.135 8.459 1.00 60.34 C ATOM 265 O GLU A 18 2.946 -1.563 9.545 1.00 11.33 O ATOM 266 CB GLU A 18 2.815 -4.542 7.798 1.00 1.21 C ATOM 267 CG GLU A 18 3.547 -5.090 9.022 1.00 60.23 C ATOM 268 CD GLU A 18 4.727 -5.982 8.668 1.00 74.11 C ATOM 269 OE1 GLU A 18 4.576 -6.877 7.814 1.00 3.15 O ATOM 270 OE2 GLU A 18 5.820 -5.773 9.235 1.00 20.41 O ATOM 0 H GLU A 18 1.586 -3.195 6.031 1.00 44.01 H new ATOM 0 HA GLU A 18 1.347 -3.438 8.919 1.00 63.14 H new ATOM 0 HB2 GLU A 18 2.130 -5.302 7.422 1.00 1.21 H new ATOM 0 HB3 GLU A 18 3.539 -4.347 7.007 1.00 1.21 H new ATOM 0 HG2 GLU A 18 3.900 -4.256 9.629 1.00 60.23 H new ATOM 0 HG3 GLU A 18 2.844 -5.655 9.634 1.00 60.23 H new ATOM 277 N GLU A 19 3.915 -1.826 7.534 1.00 4.22 N ATOM 278 CA GLU A 19 4.910 -0.770 7.735 1.00 72.33 C ATOM 279 C GLU A 19 5.284 -0.114 6.399 1.00 43.23 C ATOM 280 O GLU A 19 5.469 -0.798 5.389 1.00 25.33 O ATOM 281 CB GLU A 19 6.175 -1.344 8.401 1.00 13.34 C ATOM 282 CG GLU A 19 7.273 -0.306 8.634 1.00 70.04 C ATOM 283 CD GLU A 19 8.571 -0.909 9.161 1.00 33.52 C ATOM 284 OE1 GLU A 19 9.350 -1.459 8.349 1.00 42.43 O ATOM 285 OE2 GLU A 19 8.823 -0.832 10.381 1.00 44.14 O ATOM 0 H GLU A 19 3.982 -2.295 6.631 1.00 4.22 H new ATOM 0 HA GLU A 19 4.473 -0.015 8.388 1.00 72.33 H new ATOM 0 HB2 GLU A 19 5.901 -1.790 9.357 1.00 13.34 H new ATOM 0 HB3 GLU A 19 6.571 -2.145 7.777 1.00 13.34 H new ATOM 0 HG2 GLU A 19 7.476 0.214 7.698 1.00 70.04 H new ATOM 0 HG3 GLU A 19 6.913 0.440 9.342 1.00 70.04 H new ATOM 292 N ILE A 20 5.379 1.212 6.393 1.00 52.22 N ATOM 293 CA ILE A 20 5.841 1.948 5.213 1.00 53.15 C ATOM 294 C ILE A 20 7.352 2.214 5.319 1.00 35.03 C ATOM 295 O ILE A 20 7.878 2.396 6.418 1.00 22.15 O ATOM 296 CB ILE A 20 5.091 3.296 5.050 1.00 75.43 C ATOM 297 CG1 ILE A 20 3.569 3.072 5.096 1.00 61.24 C ATOM 298 CG2 ILE A 20 5.499 3.989 3.748 1.00 74.05 C ATOM 299 CD1 ILE A 20 2.754 4.342 4.957 1.00 41.11 C ATOM 0 H ILE A 20 5.143 1.802 7.191 1.00 52.22 H new ATOM 0 HA ILE A 20 5.632 1.333 4.337 1.00 53.15 H new ATOM 0 HB ILE A 20 5.368 3.947 5.879 1.00 75.43 H new ATOM 0 HG12 ILE A 20 3.289 2.384 4.298 1.00 61.24 H new ATOM 0 HG13 ILE A 20 3.312 2.589 6.039 1.00 61.24 H new ATOM 0 HG21 ILE A 20 4.961 4.932 3.654 1.00 74.05 H new ATOM 0 HG22 ILE A 20 6.572 4.182 3.759 1.00 74.05 H new ATOM 0 HG23 ILE A 20 5.255 3.346 2.902 1.00 74.05 H new ATOM 0 HD11 ILE A 20 1.692 4.099 4.999 1.00 41.11 H new ATOM 0 HD12 ILE A 20 3.003 5.025 5.769 1.00 41.11 H new ATOM 0 HD13 ILE A 20 2.980 4.817 4.002 1.00 41.11 H new ATOM 311 N ASP A 21 8.046 2.223 4.186 1.00 44.11 N ATOM 312 CA ASP A 21 9.498 2.424 4.178 1.00 2.44 C ATOM 313 C ASP A 21 9.889 3.836 4.650 1.00 73.15 C ATOM 314 O ASP A 21 9.365 4.839 4.162 1.00 4.22 O ATOM 315 CB ASP A 21 10.056 2.157 2.779 1.00 21.12 C ATOM 316 CG ASP A 21 11.559 2.357 2.697 1.00 40.41 C ATOM 317 OD1 ASP A 21 12.270 2.017 3.667 1.00 44.42 O ATOM 318 OD2 ASP A 21 12.033 2.849 1.657 1.00 20.43 O ATOM 0 H ASP A 21 7.632 2.094 3.263 1.00 44.11 H new ATOM 0 HA ASP A 21 9.933 1.715 4.883 1.00 2.44 H new ATOM 0 HB2 ASP A 21 9.813 1.136 2.485 1.00 21.12 H new ATOM 0 HB3 ASP A 21 9.566 2.819 2.065 1.00 21.12 H new ATOM 323 N VAL A 22 10.826 3.895 5.596 1.00 71.15 N ATOM 324 CA VAL A 22 11.307 5.167 6.143 1.00 64.24 C ATOM 325 C VAL A 22 12.253 5.885 5.161 1.00 15.21 C ATOM 326 O VAL A 22 12.421 7.104 5.222 1.00 63.12 O ATOM 327 CB VAL A 22 12.019 4.948 7.506 1.00 32.24 C ATOM 328 CG1 VAL A 22 13.235 4.036 7.348 1.00 32.33 C ATOM 329 CG2 VAL A 22 12.408 6.278 8.155 1.00 53.34 C ATOM 0 H VAL A 22 11.271 3.072 6.003 1.00 71.15 H new ATOM 0 HA VAL A 22 10.435 5.803 6.299 1.00 64.24 H new ATOM 0 HB VAL A 22 11.312 4.454 8.172 1.00 32.24 H new ATOM 0 HG11 VAL A 22 13.715 3.899 8.317 1.00 32.33 H new ATOM 0 HG12 VAL A 22 12.916 3.068 6.961 1.00 32.33 H new ATOM 0 HG13 VAL A 22 13.942 4.489 6.653 1.00 32.33 H new ATOM 0 HG21 VAL A 22 12.904 6.087 9.107 1.00 53.34 H new ATOM 0 HG22 VAL A 22 13.085 6.820 7.495 1.00 53.34 H new ATOM 0 HG23 VAL A 22 11.512 6.875 8.326 1.00 53.34 H new ATOM 339 N ASP A 23 12.873 5.121 4.259 1.00 74.12 N ATOM 340 CA ASP A 23 13.733 5.695 3.216 1.00 54.13 C ATOM 341 C ASP A 23 12.886 6.306 2.085 1.00 43.35 C ATOM 342 O ASP A 23 13.280 7.289 1.452 1.00 13.52 O ATOM 343 CB ASP A 23 14.684 4.622 2.672 1.00 43.22 C ATOM 344 CG ASP A 23 15.628 5.159 1.611 1.00 30.03 C ATOM 345 OD1 ASP A 23 16.537 5.942 1.959 1.00 22.52 O ATOM 346 OD2 ASP A 23 15.476 4.792 0.426 1.00 74.11 O ATOM 0 H ASP A 23 12.797 4.104 4.228 1.00 74.12 H new ATOM 0 HA ASP A 23 14.328 6.496 3.654 1.00 54.13 H new ATOM 0 HB2 ASP A 23 15.267 4.208 3.495 1.00 43.22 H new ATOM 0 HB3 ASP A 23 14.099 3.804 2.252 1.00 43.22 H new ATOM 351 N GLY A 24 11.722 5.706 1.835 1.00 73.12 N ATOM 352 CA GLY A 24 10.760 6.270 0.893 1.00 64.13 C ATOM 353 C GLY A 24 10.744 5.588 -0.474 1.00 34.53 C ATOM 354 O GLY A 24 10.642 6.261 -1.502 1.00 1.41 O ATOM 0 H GLY A 24 11.425 4.833 2.271 1.00 73.12 H new ATOM 0 HA2 GLY A 24 9.763 6.207 1.329 1.00 64.13 H new ATOM 0 HA3 GLY A 24 10.982 7.328 0.755 1.00 64.13 H new ATOM 358 N LYS A 25 10.821 4.254 -0.493 1.00 41.05 N ATOM 359 CA LYS A 25 10.845 3.501 -1.759 1.00 25.14 C ATOM 360 C LYS A 25 9.817 2.349 -1.824 1.00 23.31 C ATOM 361 O LYS A 25 9.659 1.736 -2.883 1.00 71.12 O ATOM 362 CB LYS A 25 12.264 2.966 -2.025 1.00 21.32 C ATOM 363 CG LYS A 25 13.208 4.012 -2.619 1.00 0.11 C ATOM 364 CD LYS A 25 14.668 3.546 -2.675 1.00 43.33 C ATOM 365 CE LYS A 25 14.827 2.131 -3.235 1.00 54.14 C ATOM 366 NZ LYS A 25 14.794 1.105 -2.158 1.00 25.14 N ATOM 0 H LYS A 25 10.868 3.674 0.344 1.00 41.05 H new ATOM 0 HA LYS A 25 10.554 4.205 -2.539 1.00 25.14 H new ATOM 0 HB2 LYS A 25 12.686 2.596 -1.090 1.00 21.32 H new ATOM 0 HB3 LYS A 25 12.202 2.116 -2.705 1.00 21.32 H new ATOM 0 HG2 LYS A 25 12.875 4.263 -3.626 1.00 0.11 H new ATOM 0 HG3 LYS A 25 13.147 4.925 -2.027 1.00 0.11 H new ATOM 0 HD2 LYS A 25 15.241 4.240 -3.290 1.00 43.33 H new ATOM 0 HD3 LYS A 25 15.093 3.583 -1.672 1.00 43.33 H new ATOM 0 HE2 LYS A 25 14.030 1.932 -3.952 1.00 54.14 H new ATOM 0 HE3 LYS A 25 15.769 2.058 -3.778 1.00 54.14 H new ATOM 0 HZ1 LYS A 25 15.701 0.597 -2.135 1.00 25.14 H new ATOM 0 HZ2 LYS A 25 14.634 1.569 -1.241 1.00 25.14 H new ATOM 0 HZ3 LYS A 25 14.024 0.431 -2.344 1.00 25.14 H new ATOM 380 N PHE A 26 9.113 2.049 -0.725 1.00 72.41 N ATOM 381 CA PHE A 26 8.096 0.976 -0.753 1.00 11.35 C ATOM 382 C PHE A 26 7.120 1.021 0.438 1.00 11.44 C ATOM 383 O PHE A 26 7.370 1.673 1.450 1.00 62.31 O ATOM 384 CB PHE A 26 8.766 -0.408 -0.831 1.00 50.43 C ATOM 385 CG PHE A 26 9.633 -0.765 0.355 1.00 41.01 C ATOM 386 CD1 PHE A 26 9.089 -1.391 1.472 1.00 33.24 C ATOM 387 CD2 PHE A 26 10.995 -0.494 0.347 1.00 62.01 C ATOM 388 CE1 PHE A 26 9.884 -1.730 2.552 1.00 23.31 C ATOM 389 CE2 PHE A 26 11.791 -0.834 1.423 1.00 35.33 C ATOM 390 CZ PHE A 26 11.237 -1.453 2.525 1.00 22.14 C ATOM 0 H PHE A 26 9.220 2.517 0.175 1.00 72.41 H new ATOM 0 HA PHE A 26 7.503 1.150 -1.651 1.00 11.35 H new ATOM 0 HB2 PHE A 26 7.989 -1.166 -0.936 1.00 50.43 H new ATOM 0 HB3 PHE A 26 9.376 -0.450 -1.734 1.00 50.43 H new ATOM 0 HD1 PHE A 26 8.033 -1.615 1.496 1.00 33.24 H new ATOM 0 HD2 PHE A 26 11.437 -0.011 -0.512 1.00 62.01 H new ATOM 0 HE1 PHE A 26 9.448 -2.211 3.415 1.00 23.31 H new ATOM 0 HE2 PHE A 26 12.848 -0.615 1.402 1.00 35.33 H new ATOM 0 HZ PHE A 26 11.861 -1.721 3.365 1.00 22.14 H new ATOM 400 N ILE A 27 5.996 0.315 0.284 1.00 21.43 N ATOM 401 CA ILE A 27 4.965 0.196 1.327 1.00 64.34 C ATOM 402 C ILE A 27 4.510 -1.271 1.466 1.00 60.45 C ATOM 403 O ILE A 27 3.934 -1.826 0.535 1.00 14.13 O ATOM 404 CB ILE A 27 3.720 1.065 0.986 1.00 14.13 C ATOM 405 CG1 ILE A 27 4.128 2.522 0.711 1.00 11.10 C ATOM 406 CG2 ILE A 27 2.688 0.997 2.115 1.00 33.32 C ATOM 407 CD1 ILE A 27 2.981 3.415 0.279 1.00 71.22 C ATOM 0 H ILE A 27 5.772 -0.194 -0.571 1.00 21.43 H new ATOM 0 HA ILE A 27 5.405 0.544 2.262 1.00 64.34 H new ATOM 0 HB ILE A 27 3.264 0.664 0.081 1.00 14.13 H new ATOM 0 HG12 ILE A 27 4.579 2.938 1.612 1.00 11.10 H new ATOM 0 HG13 ILE A 27 4.895 2.533 -0.064 1.00 11.10 H new ATOM 0 HG21 ILE A 27 1.825 1.611 1.857 1.00 33.32 H new ATOM 0 HG22 ILE A 27 2.369 -0.036 2.255 1.00 33.32 H new ATOM 0 HG23 ILE A 27 3.134 1.367 3.038 1.00 33.32 H new ATOM 0 HD11 ILE A 27 3.352 4.425 0.105 1.00 71.22 H new ATOM 0 HD12 ILE A 27 2.543 3.026 -0.640 1.00 71.22 H new ATOM 0 HD13 ILE A 27 2.222 3.437 1.061 1.00 71.22 H new ATOM 419 N ARG A 28 4.755 -1.903 2.615 1.00 51.53 N ATOM 420 CA ARG A 28 4.385 -3.319 2.786 1.00 45.41 C ATOM 421 C ARG A 28 3.008 -3.483 3.454 1.00 42.14 C ATOM 422 O ARG A 28 2.833 -3.187 4.640 1.00 34.14 O ATOM 423 CB ARG A 28 5.456 -4.080 3.589 1.00 43.22 C ATOM 424 CG ARG A 28 5.199 -5.588 3.664 1.00 44.21 C ATOM 425 CD ARG A 28 6.386 -6.357 4.245 1.00 43.30 C ATOM 426 NE ARG A 28 6.602 -6.084 5.667 1.00 62.32 N ATOM 427 CZ ARG A 28 7.749 -5.714 6.175 1.00 1.32 C ATOM 428 NH1 ARG A 28 8.764 -5.469 5.413 1.00 75.53 N ATOM 429 NH2 ARG A 28 7.884 -5.583 7.450 1.00 42.13 N ATOM 0 H ARG A 28 5.198 -1.474 3.427 1.00 51.53 H new ATOM 0 HA ARG A 28 4.323 -3.748 1.786 1.00 45.41 H new ATOM 0 HB2 ARG A 28 6.432 -3.907 3.135 1.00 43.22 H new ATOM 0 HB3 ARG A 28 5.498 -3.675 4.600 1.00 43.22 H new ATOM 0 HG2 ARG A 28 4.316 -5.773 4.276 1.00 44.21 H new ATOM 0 HG3 ARG A 28 4.979 -5.966 2.665 1.00 44.21 H new ATOM 0 HD2 ARG A 28 6.223 -7.426 4.106 1.00 43.30 H new ATOM 0 HD3 ARG A 28 7.287 -6.097 3.690 1.00 43.30 H new ATOM 0 HE ARG A 28 5.809 -6.189 6.300 1.00 62.32 H new ATOM 0 HH11 ARG A 28 8.677 -5.563 4.401 1.00 75.53 H new ATOM 0 HH12 ARG A 28 9.652 -5.181 5.824 1.00 75.53 H new ATOM 0 HH21 ARG A 28 7.094 -5.768 8.068 1.00 42.13 H new ATOM 0 HH22 ARG A 28 8.781 -5.294 7.841 1.00 42.13 H new ATOM 443 N LEU A 29 2.030 -3.954 2.675 1.00 22.43 N ATOM 444 CA LEU A 29 0.683 -4.246 3.185 1.00 63.44 C ATOM 445 C LEU A 29 0.563 -5.727 3.582 1.00 55.04 C ATOM 446 O LEU A 29 1.152 -6.599 2.943 1.00 62.23 O ATOM 447 CB LEU A 29 -0.393 -3.911 2.132 1.00 53.44 C ATOM 448 CG LEU A 29 -0.545 -2.422 1.763 1.00 31.23 C ATOM 449 CD1 LEU A 29 0.665 -1.915 0.987 1.00 43.12 C ATOM 450 CD2 LEU A 29 -1.830 -2.193 0.969 1.00 53.23 C ATOM 0 H LEU A 29 2.146 -4.143 1.679 1.00 22.43 H new ATOM 0 HA LEU A 29 0.522 -3.622 4.064 1.00 63.44 H new ATOM 0 HB2 LEU A 29 -0.167 -4.468 1.223 1.00 53.44 H new ATOM 0 HB3 LEU A 29 -1.354 -4.273 2.497 1.00 53.44 H new ATOM 0 HG LEU A 29 -0.605 -1.854 2.691 1.00 31.23 H new ATOM 0 HD11 LEU A 29 0.525 -0.862 0.743 1.00 43.12 H new ATOM 0 HD12 LEU A 29 1.562 -2.030 1.595 1.00 43.12 H new ATOM 0 HD13 LEU A 29 0.774 -2.490 0.067 1.00 43.12 H new ATOM 0 HD21 LEU A 29 -1.919 -1.136 0.718 1.00 53.23 H new ATOM 0 HD22 LEU A 29 -1.801 -2.782 0.053 1.00 53.23 H new ATOM 0 HD23 LEU A 29 -2.688 -2.497 1.569 1.00 53.23 H new ATOM 462 N LYS A 30 -0.206 -6.007 4.629 1.00 71.34 N ATOM 463 CA LYS A 30 -0.390 -7.383 5.104 1.00 11.04 C ATOM 464 C LYS A 30 -1.879 -7.746 5.183 1.00 54.03 C ATOM 465 O LYS A 30 -2.667 -7.048 5.827 1.00 23.02 O ATOM 466 CB LYS A 30 0.259 -7.554 6.487 1.00 24.11 C ATOM 467 CG LYS A 30 0.389 -9.009 6.934 1.00 21.42 C ATOM 468 CD LYS A 30 0.948 -9.122 8.353 1.00 34.24 C ATOM 469 CE LYS A 30 1.435 -10.536 8.658 1.00 70.31 C ATOM 470 NZ LYS A 30 0.418 -11.570 8.333 1.00 3.15 N ATOM 0 H LYS A 30 -0.713 -5.304 5.167 1.00 71.34 H new ATOM 0 HA LYS A 30 0.090 -8.053 4.391 1.00 11.04 H new ATOM 0 HB2 LYS A 30 1.249 -7.099 6.471 1.00 24.11 H new ATOM 0 HB3 LYS A 30 -0.331 -7.009 7.224 1.00 24.11 H new ATOM 0 HG2 LYS A 30 -0.588 -9.491 6.889 1.00 21.42 H new ATOM 0 HG3 LYS A 30 1.041 -9.544 6.243 1.00 21.42 H new ATOM 0 HD2 LYS A 30 1.772 -8.419 8.476 1.00 34.24 H new ATOM 0 HD3 LYS A 30 0.178 -8.840 9.071 1.00 34.24 H new ATOM 0 HE2 LYS A 30 2.344 -10.734 8.090 1.00 70.31 H new ATOM 0 HE3 LYS A 30 1.696 -10.607 9.714 1.00 70.31 H new ATOM 0 HZ1 LYS A 30 0.596 -12.423 8.901 1.00 3.15 H new ATOM 0 HZ2 LYS A 30 -0.531 -11.203 8.547 1.00 3.15 H new ATOM 0 HZ3 LYS A 30 0.477 -11.809 7.323 1.00 3.15 H new ATOM 484 N ASN A 31 -2.261 -8.837 4.526 1.00 61.12 N ATOM 485 CA ASN A 31 -3.642 -9.323 4.573 1.00 31.03 C ATOM 486 C ASN A 31 -3.962 -9.933 5.946 1.00 53.40 C ATOM 487 O ASN A 31 -3.241 -10.804 6.430 1.00 24.31 O ATOM 488 CB ASN A 31 -3.879 -10.360 3.468 1.00 21.24 C ATOM 489 CG ASN A 31 -5.295 -10.901 3.483 1.00 71.43 C ATOM 490 OD1 ASN A 31 -6.230 -10.221 3.893 1.00 65.04 O ATOM 491 ND2 ASN A 31 -5.469 -12.126 3.035 1.00 42.43 N ATOM 0 H ASN A 31 -1.635 -9.404 3.954 1.00 61.12 H new ATOM 0 HA ASN A 31 -4.306 -8.474 4.411 1.00 31.03 H new ATOM 0 HB2 ASN A 31 -3.675 -9.907 2.498 1.00 21.24 H new ATOM 0 HB3 ASN A 31 -3.176 -11.184 3.589 1.00 21.24 H new ATOM 0 HD21 ASN A 31 -6.403 -12.536 3.022 1.00 42.43 H new ATOM 0 HD22 ASN A 31 -4.670 -12.665 2.701 1.00 42.43 H new ATOM 498 N THR A 32 -5.048 -9.471 6.563 1.00 74.35 N ATOM 499 CA THR A 32 -5.442 -9.942 7.900 1.00 2.25 C ATOM 500 C THR A 32 -6.435 -11.109 7.837 1.00 23.34 C ATOM 501 O THR A 32 -6.635 -11.811 8.828 1.00 70.54 O ATOM 502 CB THR A 32 -6.076 -8.811 8.746 1.00 14.01 C ATOM 503 OG1 THR A 32 -7.340 -8.412 8.183 1.00 61.15 O ATOM 504 CG2 THR A 32 -5.149 -7.601 8.829 1.00 52.22 C ATOM 0 H THR A 32 -5.674 -8.772 6.163 1.00 74.35 H new ATOM 0 HA THR A 32 -4.519 -10.281 8.372 1.00 2.25 H new ATOM 0 HB THR A 32 -6.235 -9.198 9.753 1.00 14.01 H new ATOM 0 HG1 THR A 32 -7.186 -7.909 7.356 1.00 61.15 H new ATOM 0 HG21 THR A 32 -5.620 -6.822 9.429 1.00 52.22 H new ATOM 0 HG22 THR A 32 -4.207 -7.895 9.291 1.00 52.22 H new ATOM 0 HG23 THR A 32 -4.957 -7.220 7.826 1.00 52.22 H new ATOM 512 N SER A 33 -7.053 -11.325 6.675 1.00 11.03 N ATOM 513 CA SER A 33 -8.054 -12.395 6.529 1.00 32.10 C ATOM 514 C SER A 33 -7.396 -13.779 6.589 1.00 33.24 C ATOM 515 O SER A 33 -6.367 -14.020 5.957 1.00 4.31 O ATOM 516 CB SER A 33 -8.845 -12.253 5.214 1.00 72.32 C ATOM 517 OG SER A 33 -8.022 -12.449 4.072 1.00 42.43 O ATOM 0 H SER A 33 -6.884 -10.783 5.828 1.00 11.03 H new ATOM 0 HA SER A 33 -8.749 -12.297 7.363 1.00 32.10 H new ATOM 0 HB2 SER A 33 -9.660 -12.977 5.202 1.00 72.32 H new ATOM 0 HB3 SER A 33 -9.298 -11.262 5.169 1.00 72.32 H new ATOM 0 HG SER A 33 -8.106 -13.375 3.763 1.00 42.43 H new ATOM 523 N GLU A 34 -7.994 -14.692 7.351 1.00 24.40 N ATOM 524 CA GLU A 34 -7.478 -16.063 7.483 1.00 32.32 C ATOM 525 C GLU A 34 -7.895 -16.940 6.284 1.00 41.25 C ATOM 526 O GLU A 34 -7.959 -18.168 6.384 1.00 1.03 O ATOM 527 CB GLU A 34 -7.983 -16.678 8.797 1.00 32.01 C ATOM 528 CG GLU A 34 -7.610 -15.861 10.031 1.00 13.20 C ATOM 529 CD GLU A 34 -8.100 -16.481 11.331 1.00 3.45 C ATOM 530 OE1 GLU A 34 -9.325 -16.466 11.579 1.00 1.30 O ATOM 531 OE2 GLU A 34 -7.260 -16.974 12.115 1.00 25.22 O ATOM 0 H GLU A 34 -8.840 -14.511 7.891 1.00 24.40 H new ATOM 0 HA GLU A 34 -6.389 -16.021 7.496 1.00 32.32 H new ATOM 0 HB2 GLU A 34 -9.067 -16.777 8.750 1.00 32.01 H new ATOM 0 HB3 GLU A 34 -7.575 -17.684 8.899 1.00 32.01 H new ATOM 0 HG2 GLU A 34 -6.526 -15.753 10.073 1.00 13.20 H new ATOM 0 HG3 GLU A 34 -8.027 -14.858 9.935 1.00 13.20 H new ATOM 538 N GLN A 35 -8.155 -16.295 5.146 1.00 63.23 N ATOM 539 CA GLN A 35 -8.591 -16.983 3.927 1.00 44.34 C ATOM 540 C GLN A 35 -8.071 -16.258 2.672 1.00 52.40 C ATOM 541 O GLN A 35 -7.987 -15.025 2.644 1.00 43.25 O ATOM 542 CB GLN A 35 -10.125 -17.064 3.894 1.00 42.10 C ATOM 543 CG GLN A 35 -10.691 -17.776 2.670 1.00 64.12 C ATOM 544 CD GLN A 35 -12.210 -17.788 2.654 1.00 53.52 C ATOM 545 OE1 GLN A 35 -12.847 -16.893 2.109 1.00 14.31 O ATOM 546 NE2 GLN A 35 -12.803 -18.794 3.261 1.00 71.44 N ATOM 0 H GLN A 35 -8.070 -15.284 5.042 1.00 63.23 H new ATOM 0 HA GLN A 35 -8.178 -17.992 3.933 1.00 44.34 H new ATOM 0 HB2 GLN A 35 -10.469 -17.579 4.791 1.00 42.10 H new ATOM 0 HB3 GLN A 35 -10.531 -16.053 3.932 1.00 42.10 H new ATOM 0 HG2 GLN A 35 -10.325 -17.286 1.767 1.00 64.12 H new ATOM 0 HG3 GLN A 35 -10.323 -18.802 2.648 1.00 64.12 H new ATOM 0 HE21 GLN A 35 -12.244 -19.523 3.705 1.00 71.44 H new ATOM 0 HE22 GLN A 35 -13.821 -18.845 3.287 1.00 71.44 H new ATOM 555 N ASP A 36 -7.716 -17.029 1.645 1.00 4.20 N ATOM 556 CA ASP A 36 -7.218 -16.482 0.377 1.00 64.40 C ATOM 557 C ASP A 36 -8.280 -15.614 -0.331 1.00 74.02 C ATOM 558 O ASP A 36 -9.236 -16.133 -0.915 1.00 34.00 O ATOM 559 CB ASP A 36 -6.787 -17.631 -0.542 1.00 40.25 C ATOM 560 CG ASP A 36 -5.696 -18.491 0.074 1.00 3.44 C ATOM 561 OD1 ASP A 36 -5.936 -19.091 1.141 1.00 41.13 O ATOM 562 OD2 ASP A 36 -4.597 -18.582 -0.511 1.00 51.14 O ATOM 0 H ASP A 36 -7.764 -18.048 1.665 1.00 4.20 H new ATOM 0 HA ASP A 36 -6.364 -15.842 0.599 1.00 64.40 H new ATOM 0 HB2 ASP A 36 -7.652 -18.254 -0.769 1.00 40.25 H new ATOM 0 HB3 ASP A 36 -6.432 -17.222 -1.488 1.00 40.25 H new ATOM 567 N GLN A 37 -8.104 -14.294 -0.277 1.00 53.03 N ATOM 568 CA GLN A 37 -9.048 -13.352 -0.901 1.00 40.24 C ATOM 569 C GLN A 37 -8.522 -12.826 -2.250 1.00 41.02 C ATOM 570 O GLN A 37 -7.359 -12.441 -2.363 1.00 64.21 O ATOM 571 CB GLN A 37 -9.314 -12.164 0.038 1.00 24.01 C ATOM 572 CG GLN A 37 -9.949 -12.542 1.372 1.00 61.03 C ATOM 573 CD GLN A 37 -11.270 -13.276 1.218 1.00 40.25 C ATOM 574 OE1 GLN A 37 -11.316 -14.499 1.181 1.00 1.43 O ATOM 575 NE2 GLN A 37 -12.352 -12.536 1.111 1.00 40.12 N ATOM 0 H GLN A 37 -7.316 -13.847 0.192 1.00 53.03 H new ATOM 0 HA GLN A 37 -9.975 -13.895 -1.083 1.00 40.24 H new ATOM 0 HB2 GLN A 37 -8.371 -11.652 0.231 1.00 24.01 H new ATOM 0 HB3 GLN A 37 -9.965 -11.453 -0.471 1.00 24.01 H new ATOM 0 HG2 GLN A 37 -9.256 -13.169 1.933 1.00 61.03 H new ATOM 0 HG3 GLN A 37 -10.109 -11.638 1.960 1.00 61.03 H new ATOM 0 HE21 GLN A 37 -12.280 -11.519 1.146 1.00 40.12 H new ATOM 0 HE22 GLN A 37 -13.263 -12.979 0.993 1.00 40.12 H new ATOM 584 N PRO A 38 -9.377 -12.782 -3.293 1.00 62.43 N ATOM 585 CA PRO A 38 -8.991 -12.258 -4.621 1.00 10.44 C ATOM 586 C PRO A 38 -8.965 -10.713 -4.674 1.00 34.43 C ATOM 587 O PRO A 38 -9.504 -10.105 -5.603 1.00 54.43 O ATOM 588 CB PRO A 38 -10.092 -12.822 -5.531 1.00 31.12 C ATOM 589 CG PRO A 38 -11.293 -12.914 -4.652 1.00 10.53 C ATOM 590 CD PRO A 38 -10.779 -13.252 -3.273 1.00 13.44 C ATOM 0 HA PRO A 38 -7.980 -12.550 -4.906 1.00 10.44 H new ATOM 0 HB2 PRO A 38 -10.274 -12.169 -6.385 1.00 31.12 H new ATOM 0 HB3 PRO A 38 -9.816 -13.798 -5.929 1.00 31.12 H new ATOM 0 HG2 PRO A 38 -11.842 -11.973 -4.643 1.00 10.53 H new ATOM 0 HG3 PRO A 38 -11.980 -13.680 -5.010 1.00 10.53 H new ATOM 0 HD2 PRO A 38 -11.358 -12.751 -2.497 1.00 13.44 H new ATOM 0 HD3 PRO A 38 -10.839 -14.322 -3.075 1.00 13.44 H new ATOM 598 N MET A 39 -8.318 -10.097 -3.676 1.00 72.21 N ATOM 599 CA MET A 39 -8.192 -8.630 -3.572 1.00 62.32 C ATOM 600 C MET A 39 -9.551 -7.949 -3.303 1.00 60.50 C ATOM 601 O MET A 39 -9.783 -7.414 -2.218 1.00 65.02 O ATOM 602 CB MET A 39 -7.534 -8.045 -4.836 1.00 25.54 C ATOM 603 CG MET A 39 -7.263 -6.539 -4.786 1.00 72.31 C ATOM 604 SD MET A 39 -5.752 -6.091 -3.892 1.00 3.02 S ATOM 605 CE MET A 39 -6.212 -6.348 -2.179 1.00 4.41 C ATOM 0 H MET A 39 -7.864 -10.600 -2.913 1.00 72.21 H new ATOM 0 HA MET A 39 -7.549 -8.424 -2.716 1.00 62.32 H new ATOM 0 HB2 MET A 39 -6.591 -8.563 -5.009 1.00 25.54 H new ATOM 0 HB3 MET A 39 -8.175 -8.255 -5.692 1.00 25.54 H new ATOM 0 HG2 MET A 39 -7.196 -6.158 -5.805 1.00 72.31 H new ATOM 0 HG3 MET A 39 -8.112 -6.043 -4.315 1.00 72.31 H new ATOM 0 HE1 MET A 39 -5.902 -5.488 -1.586 1.00 4.41 H new ATOM 0 HE2 MET A 39 -7.293 -6.468 -2.107 1.00 4.41 H new ATOM 0 HE3 MET A 39 -5.721 -7.245 -1.801 1.00 4.41 H new ATOM 615 N GLY A 40 -10.441 -7.964 -4.296 1.00 44.42 N ATOM 616 CA GLY A 40 -11.757 -7.343 -4.142 1.00 4.52 C ATOM 617 C GLY A 40 -11.820 -5.911 -4.673 1.00 63.12 C ATOM 618 O GLY A 40 -12.847 -5.240 -4.549 1.00 43.33 O ATOM 0 H GLY A 40 -10.278 -8.394 -5.206 1.00 44.42 H new ATOM 0 HA2 GLY A 40 -12.499 -7.948 -4.663 1.00 4.52 H new ATOM 0 HA3 GLY A 40 -12.029 -7.343 -3.087 1.00 4.52 H new ATOM 622 N GLY A 41 -10.723 -5.444 -5.272 1.00 70.33 N ATOM 623 CA GLY A 41 -10.682 -4.092 -5.832 1.00 5.34 C ATOM 624 C GLY A 41 -10.493 -3.003 -4.774 1.00 61.05 C ATOM 625 O GLY A 41 -11.439 -2.627 -4.084 1.00 40.24 O ATOM 0 H GLY A 41 -9.859 -5.976 -5.381 1.00 70.33 H new ATOM 0 HA2 GLY A 41 -9.869 -4.031 -6.555 1.00 5.34 H new ATOM 0 HA3 GLY A 41 -11.608 -3.903 -6.376 1.00 5.34 H new ATOM 629 N TRP A 42 -9.267 -2.502 -4.644 1.00 41.52 N ATOM 630 CA TRP A 42 -8.949 -1.442 -3.671 1.00 32.12 C ATOM 631 C TRP A 42 -8.381 -0.196 -4.365 1.00 20.32 C ATOM 632 O TRP A 42 -8.159 -0.194 -5.578 1.00 42.20 O ATOM 633 CB TRP A 42 -7.929 -1.956 -2.643 1.00 65.23 C ATOM 634 CG TRP A 42 -8.463 -3.012 -1.715 1.00 64.54 C ATOM 635 CD1 TRP A 42 -8.997 -4.224 -2.057 1.00 74.33 C ATOM 636 CD2 TRP A 42 -8.491 -2.954 -0.284 1.00 53.31 C ATOM 637 NE1 TRP A 42 -9.362 -4.914 -0.929 1.00 12.44 N ATOM 638 CE2 TRP A 42 -9.060 -4.157 0.173 1.00 45.22 C ATOM 639 CE3 TRP A 42 -8.089 -1.999 0.654 1.00 45.23 C ATOM 640 CZ2 TRP A 42 -9.239 -4.429 1.527 1.00 60.30 C ATOM 641 CZ3 TRP A 42 -8.266 -2.271 1.998 1.00 0.51 C ATOM 642 CH2 TRP A 42 -8.834 -3.478 2.423 1.00 10.04 C ATOM 0 H TRP A 42 -8.469 -2.810 -5.200 1.00 41.52 H new ATOM 0 HA TRP A 42 -9.876 -1.167 -3.168 1.00 32.12 H new ATOM 0 HB2 TRP A 42 -7.067 -2.359 -3.174 1.00 65.23 H new ATOM 0 HB3 TRP A 42 -7.573 -1.114 -2.050 1.00 65.23 H new ATOM 0 HD1 TRP A 42 -9.114 -4.585 -3.068 1.00 74.33 H new ATOM 0 HE1 TRP A 42 -9.789 -5.840 -0.913 1.00 12.44 H new ATOM 0 HE3 TRP A 42 -7.648 -1.066 0.335 1.00 45.23 H new ATOM 0 HZ2 TRP A 42 -9.681 -5.357 1.858 1.00 60.30 H new ATOM 0 HZ3 TRP A 42 -7.961 -1.540 2.732 1.00 0.51 H new ATOM 0 HH2 TRP A 42 -8.955 -3.662 3.480 1.00 10.04 H new ATOM 653 N GLU A 43 -8.137 0.858 -3.589 1.00 35.21 N ATOM 654 CA GLU A 43 -7.517 2.079 -4.116 1.00 72.42 C ATOM 655 C GLU A 43 -6.597 2.737 -3.072 1.00 25.34 C ATOM 656 O GLU A 43 -7.025 3.056 -1.959 1.00 65.54 O ATOM 657 CB GLU A 43 -8.592 3.073 -4.576 1.00 33.13 C ATOM 658 CG GLU A 43 -8.028 4.354 -5.186 1.00 54.13 C ATOM 659 CD GLU A 43 -9.113 5.322 -5.630 1.00 74.32 C ATOM 660 OE1 GLU A 43 -9.819 5.866 -4.756 1.00 13.34 O ATOM 661 OE2 GLU A 43 -9.256 5.554 -6.851 1.00 35.21 O ATOM 0 H GLU A 43 -8.358 0.894 -2.594 1.00 35.21 H new ATOM 0 HA GLU A 43 -6.906 1.796 -4.974 1.00 72.42 H new ATOM 0 HB2 GLU A 43 -9.234 2.585 -5.309 1.00 33.13 H new ATOM 0 HB3 GLU A 43 -9.221 3.334 -3.724 1.00 33.13 H new ATOM 0 HG2 GLU A 43 -7.385 4.846 -4.456 1.00 54.13 H new ATOM 0 HG3 GLU A 43 -7.403 4.099 -6.042 1.00 54.13 H new ATOM 668 N MET A 44 -5.329 2.923 -3.441 1.00 4.33 N ATOM 669 CA MET A 44 -4.331 3.552 -2.562 1.00 54.34 C ATOM 670 C MET A 44 -4.117 5.032 -2.927 1.00 71.23 C ATOM 671 O MET A 44 -3.670 5.346 -4.028 1.00 12.42 O ATOM 672 CB MET A 44 -2.992 2.806 -2.671 1.00 52.01 C ATOM 673 CG MET A 44 -1.871 3.422 -1.841 1.00 70.44 C ATOM 674 SD MET A 44 -0.282 2.609 -2.097 1.00 2.02 S ATOM 675 CE MET A 44 -0.024 2.906 -3.845 1.00 73.15 C ATOM 0 H MET A 44 -4.962 2.645 -4.351 1.00 4.33 H new ATOM 0 HA MET A 44 -4.706 3.497 -1.540 1.00 54.34 H new ATOM 0 HB2 MET A 44 -3.137 1.772 -2.357 1.00 52.01 H new ATOM 0 HB3 MET A 44 -2.685 2.782 -3.717 1.00 52.01 H new ATOM 0 HG2 MET A 44 -1.778 4.479 -2.092 1.00 70.44 H new ATOM 0 HG3 MET A 44 -2.135 3.368 -0.785 1.00 70.44 H new ATOM 0 HE1 MET A 44 1.028 3.127 -4.025 1.00 73.15 H new ATOM 0 HE2 MET A 44 -0.311 2.020 -4.411 1.00 73.15 H new ATOM 0 HE3 MET A 44 -0.632 3.753 -4.164 1.00 73.15 H new ATOM 685 N ILE A 45 -4.431 5.933 -2.000 1.00 33.15 N ATOM 686 CA ILE A 45 -4.238 7.372 -2.222 1.00 73.20 C ATOM 687 C ILE A 45 -3.008 7.890 -1.453 1.00 0.13 C ATOM 688 O ILE A 45 -3.040 8.040 -0.231 1.00 12.00 O ATOM 689 CB ILE A 45 -5.484 8.206 -1.805 1.00 3.01 C ATOM 690 CG1 ILE A 45 -6.753 7.750 -2.558 1.00 55.13 C ATOM 691 CG2 ILE A 45 -5.234 9.699 -2.042 1.00 44.51 C ATOM 692 CD1 ILE A 45 -7.315 6.419 -2.098 1.00 32.45 C ATOM 0 H ILE A 45 -4.820 5.697 -1.087 1.00 33.15 H new ATOM 0 HA ILE A 45 -4.082 7.497 -3.293 1.00 73.20 H new ATOM 0 HB ILE A 45 -5.650 8.039 -0.741 1.00 3.01 H new ATOM 0 HG12 ILE A 45 -7.522 8.514 -2.443 1.00 55.13 H new ATOM 0 HG13 ILE A 45 -6.525 7.685 -3.622 1.00 55.13 H new ATOM 0 HG21 ILE A 45 -6.116 10.267 -1.745 1.00 44.51 H new ATOM 0 HG22 ILE A 45 -4.377 10.023 -1.451 1.00 44.51 H new ATOM 0 HG23 ILE A 45 -5.031 9.871 -3.099 1.00 44.51 H new ATOM 0 HD11 ILE A 45 -8.204 6.178 -2.681 1.00 32.45 H new ATOM 0 HD12 ILE A 45 -6.566 5.640 -2.240 1.00 32.45 H new ATOM 0 HD13 ILE A 45 -7.579 6.481 -1.042 1.00 32.45 H new ATOM 704 N ARG A 46 -1.924 8.153 -2.176 1.00 25.44 N ATOM 705 CA ARG A 46 -0.685 8.668 -1.580 1.00 2.43 C ATOM 706 C ARG A 46 -0.750 10.191 -1.379 1.00 74.42 C ATOM 707 O ARG A 46 -0.725 10.956 -2.346 1.00 45.31 O ATOM 708 CB ARG A 46 0.512 8.299 -2.476 1.00 53.53 C ATOM 709 CG ARG A 46 1.811 9.041 -2.146 1.00 11.41 C ATOM 710 CD ARG A 46 2.942 8.648 -3.096 1.00 1.22 C ATOM 711 NE ARG A 46 4.094 9.550 -3.002 1.00 33.10 N ATOM 712 CZ ARG A 46 5.194 9.404 -3.697 1.00 51.24 C ATOM 713 NH1 ARG A 46 5.358 8.369 -4.454 1.00 44.22 N ATOM 714 NH2 ARG A 46 6.136 10.286 -3.619 1.00 25.35 N ATOM 0 H ARG A 46 -1.874 8.018 -3.186 1.00 25.44 H new ATOM 0 HA ARG A 46 -0.560 8.210 -0.599 1.00 2.43 H new ATOM 0 HB2 ARG A 46 0.692 7.227 -2.396 1.00 53.53 H new ATOM 0 HB3 ARG A 46 0.248 8.501 -3.514 1.00 53.53 H new ATOM 0 HG2 ARG A 46 1.642 10.116 -2.206 1.00 11.41 H new ATOM 0 HG3 ARG A 46 2.105 8.822 -1.120 1.00 11.41 H new ATOM 0 HD2 ARG A 46 3.262 7.630 -2.873 1.00 1.22 H new ATOM 0 HD3 ARG A 46 2.568 8.647 -4.120 1.00 1.22 H new ATOM 0 HE ARG A 46 4.035 10.338 -2.357 1.00 33.10 H new ATOM 0 HH11 ARG A 46 4.628 7.659 -4.513 1.00 44.22 H new ATOM 0 HH12 ARG A 46 6.218 8.262 -4.993 1.00 44.22 H new ATOM 0 HH21 ARG A 46 6.024 11.100 -3.014 1.00 25.35 H new ATOM 0 HH22 ARG A 46 6.991 10.168 -4.162 1.00 25.35 H new ATOM 728 N LYS A 47 -0.848 10.626 -0.122 1.00 43.52 N ATOM 729 CA LYS A 47 -0.815 12.056 0.212 1.00 31.31 C ATOM 730 C LYS A 47 0.403 12.392 1.089 1.00 2.25 C ATOM 731 O LYS A 47 0.777 11.621 1.973 1.00 31.10 O ATOM 732 CB LYS A 47 -2.103 12.481 0.934 1.00 45.22 C ATOM 733 CG LYS A 47 -3.382 12.140 0.178 1.00 23.14 C ATOM 734 CD LYS A 47 -4.579 12.941 0.694 1.00 74.00 C ATOM 735 CE LYS A 47 -4.835 12.719 2.183 1.00 62.10 C ATOM 736 NZ LYS A 47 -5.917 13.602 2.699 1.00 75.41 N ATOM 0 H LYS A 47 -0.951 10.010 0.684 1.00 43.52 H new ATOM 0 HA LYS A 47 -0.736 12.608 -0.725 1.00 31.31 H new ATOM 0 HB2 LYS A 47 -2.133 12.002 1.912 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -2.072 13.557 1.107 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -3.241 12.341 -0.884 1.00 23.14 H new ATOM 0 HG3 LYS A 47 -3.589 11.074 0.276 1.00 23.14 H new ATOM 0 HD2 LYS A 47 -4.407 14.002 0.513 1.00 74.00 H new ATOM 0 HD3 LYS A 47 -5.469 12.661 0.130 1.00 74.00 H new ATOM 0 HE2 LYS A 47 -5.105 11.677 2.353 1.00 62.10 H new ATOM 0 HE3 LYS A 47 -3.917 12.906 2.741 1.00 62.10 H new ATOM 0 HZ1 LYS A 47 -6.060 13.420 3.713 1.00 75.41 H new ATOM 0 HZ2 LYS A 47 -5.649 14.597 2.560 1.00 75.41 H new ATOM 0 HZ3 LYS A 47 -6.800 13.406 2.185 1.00 75.41 H new ATOM 750 N ILE A 48 1.012 13.551 0.846 1.00 53.50 N ATOM 751 CA ILE A 48 2.213 13.964 1.585 1.00 61.33 C ATOM 752 C ILE A 48 2.527 15.460 1.377 1.00 45.33 C ATOM 753 O ILE A 48 2.797 16.187 2.338 1.00 41.23 O ATOM 754 CB ILE A 48 3.442 13.096 1.186 1.00 44.42 C ATOM 755 CG1 ILE A 48 4.702 13.538 1.955 1.00 73.22 C ATOM 756 CG2 ILE A 48 3.680 13.138 -0.326 1.00 73.52 C ATOM 757 CD1 ILE A 48 5.912 12.662 1.697 1.00 3.31 C ATOM 0 H ILE A 48 0.698 14.222 0.145 1.00 53.50 H new ATOM 0 HA ILE A 48 2.005 13.809 2.644 1.00 61.33 H new ATOM 0 HB ILE A 48 3.225 12.064 1.461 1.00 44.42 H new ATOM 0 HG12 ILE A 48 4.943 14.565 1.680 1.00 73.22 H new ATOM 0 HG13 ILE A 48 4.484 13.536 3.023 1.00 73.22 H new ATOM 0 HG21 ILE A 48 4.545 12.523 -0.575 1.00 73.52 H new ATOM 0 HG22 ILE A 48 2.801 12.755 -0.844 1.00 73.52 H new ATOM 0 HG23 ILE A 48 3.865 14.166 -0.637 1.00 73.52 H new ATOM 0 HD11 ILE A 48 6.760 13.034 2.272 1.00 3.31 H new ATOM 0 HD12 ILE A 48 5.691 11.638 1.998 1.00 3.31 H new ATOM 0 HD13 ILE A 48 6.156 12.683 0.635 1.00 3.31 H new ATOM 769 N GLY A 49 2.483 15.915 0.123 1.00 13.24 N ATOM 770 CA GLY A 49 2.739 17.322 -0.181 1.00 11.10 C ATOM 771 C GLY A 49 1.464 18.122 -0.430 1.00 42.51 C ATOM 772 O GLY A 49 0.412 17.824 0.138 1.00 13.11 O ATOM 0 H GLY A 49 2.275 15.335 -0.690 1.00 13.24 H new ATOM 0 HA2 GLY A 49 3.288 17.772 0.646 1.00 11.10 H new ATOM 0 HA3 GLY A 49 3.379 17.387 -1.061 1.00 11.10 H new ATOM 776 N ASP A 50 1.550 19.132 -1.297 1.00 33.51 N ATOM 777 CA ASP A 50 0.402 20.001 -1.604 1.00 42.44 C ATOM 778 C ASP A 50 -0.572 19.338 -2.596 1.00 34.50 C ATOM 779 O ASP A 50 -1.515 19.971 -3.076 1.00 21.02 O ATOM 780 CB ASP A 50 0.902 21.330 -2.180 1.00 31.03 C ATOM 781 CG ASP A 50 1.883 22.025 -1.255 1.00 11.20 C ATOM 782 OD1 ASP A 50 3.085 21.684 -1.288 1.00 74.32 O ATOM 783 OD2 ASP A 50 1.462 22.911 -0.483 1.00 73.43 O ATOM 0 H ASP A 50 2.403 19.373 -1.802 1.00 33.51 H new ATOM 0 HA ASP A 50 -0.140 20.177 -0.675 1.00 42.44 H new ATOM 0 HB2 ASP A 50 1.380 21.149 -3.143 1.00 31.03 H new ATOM 0 HB3 ASP A 50 0.052 21.987 -2.364 1.00 31.03 H new ATOM 788 N THR A 51 -0.348 18.059 -2.884 1.00 44.05 N ATOM 789 CA THR A 51 -1.153 17.325 -3.869 1.00 52.51 C ATOM 790 C THR A 51 -1.250 15.836 -3.508 1.00 12.01 C ATOM 791 O THR A 51 -0.493 15.337 -2.671 1.00 33.43 O ATOM 792 CB THR A 51 -0.554 17.465 -5.290 1.00 41.01 C ATOM 793 OG1 THR A 51 -1.378 16.790 -6.256 1.00 5.22 O ATOM 794 CG2 THR A 51 0.865 16.903 -5.346 1.00 41.33 C ATOM 0 H THR A 51 0.388 17.502 -2.449 1.00 44.05 H new ATOM 0 HA THR A 51 -2.152 17.760 -3.855 1.00 52.51 H new ATOM 0 HB THR A 51 -0.519 18.528 -5.530 1.00 41.01 H new ATOM 0 HG1 THR A 51 -0.985 16.890 -7.148 1.00 5.22 H new ATOM 0 HG21 THR A 51 1.261 17.014 -6.355 1.00 41.33 H new ATOM 0 HG22 THR A 51 1.499 17.446 -4.645 1.00 41.33 H new ATOM 0 HG23 THR A 51 0.849 15.847 -5.077 1.00 41.33 H new ATOM 802 N SER A 52 -2.175 15.127 -4.151 1.00 50.43 N ATOM 803 CA SER A 52 -2.388 13.696 -3.885 1.00 22.15 C ATOM 804 C SER A 52 -2.364 12.881 -5.181 1.00 5.43 C ATOM 805 O SER A 52 -2.465 13.433 -6.280 1.00 25.24 O ATOM 806 CB SER A 52 -3.727 13.476 -3.169 1.00 32.32 C ATOM 807 OG SER A 52 -4.819 13.886 -3.979 1.00 74.15 O ATOM 0 H SER A 52 -2.793 15.516 -4.863 1.00 50.43 H new ATOM 0 HA SER A 52 -1.574 13.356 -3.244 1.00 22.15 H new ATOM 0 HB2 SER A 52 -3.836 12.422 -2.914 1.00 32.32 H new ATOM 0 HB3 SER A 52 -3.737 14.033 -2.232 1.00 32.32 H new ATOM 0 HG SER A 52 -5.659 13.733 -3.498 1.00 74.15 H new ATOM 813 N VAL A 53 -2.224 11.567 -5.053 1.00 24.42 N ATOM 814 CA VAL A 53 -2.227 10.668 -6.213 1.00 42.24 C ATOM 815 C VAL A 53 -2.751 9.273 -5.827 1.00 5.44 C ATOM 816 O VAL A 53 -2.340 8.706 -4.816 1.00 44.14 O ATOM 817 CB VAL A 53 -0.809 10.557 -6.836 1.00 4.13 C ATOM 818 CG1 VAL A 53 0.218 10.127 -5.790 1.00 12.13 C ATOM 819 CG2 VAL A 53 -0.808 9.610 -8.037 1.00 12.42 C ATOM 0 H VAL A 53 -2.106 11.094 -4.157 1.00 24.42 H new ATOM 0 HA VAL A 53 -2.897 11.094 -6.959 1.00 42.24 H new ATOM 0 HB VAL A 53 -0.523 11.546 -7.195 1.00 4.13 H new ATOM 0 HG11 VAL A 53 1.202 10.057 -6.254 1.00 12.13 H new ATOM 0 HG12 VAL A 53 0.247 10.862 -4.985 1.00 12.13 H new ATOM 0 HG13 VAL A 53 -0.061 9.155 -5.384 1.00 12.13 H new ATOM 0 HG21 VAL A 53 0.198 9.551 -8.453 1.00 12.42 H new ATOM 0 HG22 VAL A 53 -1.127 8.618 -7.718 1.00 12.42 H new ATOM 0 HG23 VAL A 53 -1.494 9.985 -8.797 1.00 12.42 H new ATOM 829 N SER A 54 -3.667 8.730 -6.629 1.00 61.45 N ATOM 830 CA SER A 54 -4.317 7.448 -6.309 1.00 65.14 C ATOM 831 C SER A 54 -3.783 6.290 -7.163 1.00 64.25 C ATOM 832 O SER A 54 -3.162 6.498 -8.204 1.00 61.52 O ATOM 833 CB SER A 54 -5.837 7.554 -6.510 1.00 23.25 C ATOM 834 OG SER A 54 -6.420 8.487 -5.613 1.00 25.13 O ATOM 0 H SER A 54 -3.979 9.152 -7.504 1.00 61.45 H new ATOM 0 HA SER A 54 -4.087 7.234 -5.265 1.00 65.14 H new ATOM 0 HB2 SER A 54 -6.049 7.854 -7.536 1.00 23.25 H new ATOM 0 HB3 SER A 54 -6.293 6.575 -6.364 1.00 23.25 H new ATOM 0 HG SER A 54 -7.386 8.531 -5.769 1.00 25.13 H new ATOM 840 N TYR A 55 -4.029 5.067 -6.704 1.00 65.30 N ATOM 841 CA TYR A 55 -3.731 3.858 -7.480 1.00 34.00 C ATOM 842 C TYR A 55 -4.813 2.794 -7.260 1.00 62.02 C ATOM 843 O TYR A 55 -5.022 2.333 -6.140 1.00 70.33 O ATOM 844 CB TYR A 55 -2.358 3.284 -7.103 1.00 63.41 C ATOM 845 CG TYR A 55 -2.076 1.943 -7.762 1.00 22.02 C ATOM 846 CD1 TYR A 55 -1.824 1.859 -9.129 1.00 74.22 C ATOM 847 CD2 TYR A 55 -2.087 0.761 -7.024 1.00 3.23 C ATOM 848 CE1 TYR A 55 -1.590 0.642 -9.737 1.00 34.21 C ATOM 849 CE2 TYR A 55 -1.848 -0.459 -7.626 1.00 73.33 C ATOM 850 CZ TYR A 55 -1.604 -0.513 -8.984 1.00 0.25 C ATOM 851 OH TYR A 55 -1.380 -1.728 -9.592 1.00 22.41 O ATOM 0 H TYR A 55 -4.439 4.881 -5.788 1.00 65.30 H new ATOM 0 HA TYR A 55 -3.715 4.138 -8.533 1.00 34.00 H new ATOM 0 HB2 TYR A 55 -1.582 3.994 -7.389 1.00 63.41 H new ATOM 0 HB3 TYR A 55 -2.302 3.170 -6.020 1.00 63.41 H new ATOM 0 HD1 TYR A 55 -1.811 2.761 -9.723 1.00 74.22 H new ATOM 0 HD2 TYR A 55 -2.286 0.799 -5.963 1.00 3.23 H new ATOM 0 HE1 TYR A 55 -1.397 0.595 -10.799 1.00 34.21 H new ATOM 0 HE2 TYR A 55 -1.852 -1.365 -7.038 1.00 73.33 H new ATOM 0 HH TYR A 55 -1.422 -2.442 -8.922 1.00 22.41 H new ATOM 861 N LYS A 56 -5.496 2.404 -8.328 1.00 3.35 N ATOM 862 CA LYS A 56 -6.552 1.396 -8.236 1.00 64.40 C ATOM 863 C LYS A 56 -5.978 -0.013 -8.485 1.00 70.23 C ATOM 864 O LYS A 56 -5.361 -0.269 -9.518 1.00 52.02 O ATOM 865 CB LYS A 56 -7.671 1.736 -9.232 1.00 23.20 C ATOM 866 CG LYS A 56 -8.972 0.973 -8.995 1.00 65.31 C ATOM 867 CD LYS A 56 -10.148 1.633 -9.717 1.00 53.10 C ATOM 868 CE LYS A 56 -10.430 3.037 -9.181 1.00 3.13 C ATOM 869 NZ LYS A 56 -11.548 3.704 -9.901 1.00 51.10 N ATOM 0 H LYS A 56 -5.341 2.768 -9.268 1.00 3.35 H new ATOM 0 HA LYS A 56 -6.973 1.400 -7.231 1.00 64.40 H new ATOM 0 HB2 LYS A 56 -7.875 2.805 -9.181 1.00 23.20 H new ATOM 0 HB3 LYS A 56 -7.319 1.527 -10.242 1.00 23.20 H new ATOM 0 HG2 LYS A 56 -8.861 -0.054 -9.342 1.00 65.31 H new ATOM 0 HG3 LYS A 56 -9.179 0.928 -7.926 1.00 65.31 H new ATOM 0 HD2 LYS A 56 -9.934 1.688 -10.784 1.00 53.10 H new ATOM 0 HD3 LYS A 56 -11.038 1.015 -9.602 1.00 53.10 H new ATOM 0 HE2 LYS A 56 -10.670 2.976 -8.119 1.00 3.13 H new ATOM 0 HE3 LYS A 56 -9.530 3.645 -9.270 1.00 3.13 H new ATOM 0 HZ1 LYS A 56 -11.701 4.652 -9.502 1.00 51.10 H new ATOM 0 HZ2 LYS A 56 -11.310 3.787 -10.910 1.00 51.10 H new ATOM 0 HZ3 LYS A 56 -12.415 3.140 -9.795 1.00 51.10 H new ATOM 883 N TYR A 57 -6.176 -0.913 -7.520 1.00 33.33 N ATOM 884 CA TYR A 57 -5.560 -2.253 -7.549 1.00 0.11 C ATOM 885 C TYR A 57 -6.219 -3.212 -8.561 1.00 32.12 C ATOM 886 O TYR A 57 -7.212 -2.882 -9.209 1.00 44.02 O ATOM 887 CB TYR A 57 -5.596 -2.878 -6.147 1.00 42.13 C ATOM 888 CG TYR A 57 -4.653 -2.217 -5.153 1.00 60.21 C ATOM 889 CD1 TYR A 57 -4.973 -1.003 -4.552 1.00 64.03 C ATOM 890 CD2 TYR A 57 -3.439 -2.809 -4.820 1.00 21.24 C ATOM 891 CE1 TYR A 57 -4.114 -0.404 -3.652 1.00 33.15 C ATOM 892 CE2 TYR A 57 -2.576 -2.216 -3.919 1.00 44.13 C ATOM 893 CZ TYR A 57 -2.918 -1.014 -3.339 1.00 43.45 C ATOM 894 OH TYR A 57 -2.062 -0.421 -2.441 1.00 23.33 O ATOM 0 H TYR A 57 -6.761 -0.742 -6.702 1.00 33.33 H new ATOM 0 HA TYR A 57 -4.530 -2.110 -7.877 1.00 0.11 H new ATOM 0 HB2 TYR A 57 -6.614 -2.821 -5.761 1.00 42.13 H new ATOM 0 HB3 TYR A 57 -5.343 -3.935 -6.225 1.00 42.13 H new ATOM 0 HD1 TYR A 57 -5.909 -0.521 -4.794 1.00 64.03 H new ATOM 0 HD2 TYR A 57 -3.166 -3.750 -5.274 1.00 21.24 H new ATOM 0 HE1 TYR A 57 -4.378 0.538 -3.195 1.00 33.15 H new ATOM 0 HE2 TYR A 57 -1.639 -2.692 -3.671 1.00 44.13 H new ATOM 0 HH TYR A 57 -1.551 -1.112 -1.971 1.00 23.33 H new ATOM 904 N THR A 58 -5.653 -4.418 -8.664 1.00 44.33 N ATOM 905 CA THR A 58 -6.126 -5.436 -9.617 1.00 14.23 C ATOM 906 C THR A 58 -6.452 -6.770 -8.924 1.00 52.35 C ATOM 907 O THR A 58 -6.076 -7.001 -7.777 1.00 32.43 O ATOM 908 CB THR A 58 -5.086 -5.686 -10.739 1.00 14.25 C ATOM 909 OG1 THR A 58 -5.366 -6.918 -11.424 1.00 71.33 O ATOM 910 CG2 THR A 58 -3.669 -5.722 -10.180 1.00 14.35 C ATOM 0 H THR A 58 -4.861 -4.718 -8.096 1.00 44.33 H new ATOM 0 HA THR A 58 -7.042 -5.040 -10.056 1.00 14.23 H new ATOM 0 HB THR A 58 -5.160 -4.859 -11.445 1.00 14.25 H new ATOM 0 HG1 THR A 58 -6.086 -6.775 -12.073 1.00 71.33 H new ATOM 0 HG21 THR A 58 -2.962 -5.899 -10.991 1.00 14.35 H new ATOM 0 HG22 THR A 58 -3.442 -4.769 -9.702 1.00 14.35 H new ATOM 0 HG23 THR A 58 -3.588 -6.524 -9.446 1.00 14.35 H new ATOM 918 N SER A 59 -7.155 -7.650 -9.640 1.00 15.44 N ATOM 919 CA SER A 59 -7.594 -8.947 -9.089 1.00 52.11 C ATOM 920 C SER A 59 -6.775 -10.119 -9.660 1.00 42.45 C ATOM 921 O SER A 59 -7.121 -11.287 -9.461 1.00 14.21 O ATOM 922 CB SER A 59 -9.087 -9.163 -9.393 1.00 35.42 C ATOM 923 OG SER A 59 -9.575 -10.375 -8.828 1.00 54.41 O ATOM 0 H SER A 59 -7.437 -7.493 -10.608 1.00 15.44 H new ATOM 0 HA SER A 59 -7.433 -8.921 -8.011 1.00 52.11 H new ATOM 0 HB2 SER A 59 -9.662 -8.323 -9.002 1.00 35.42 H new ATOM 0 HB3 SER A 59 -9.239 -9.179 -10.472 1.00 35.42 H new ATOM 0 HG SER A 59 -8.872 -11.057 -8.860 1.00 54.41 H new ATOM 929 N ARG A 60 -5.688 -9.806 -10.368 1.00 14.21 N ATOM 930 CA ARG A 60 -4.839 -10.841 -10.982 1.00 74.23 C ATOM 931 C ARG A 60 -4.139 -11.721 -9.928 1.00 40.45 C ATOM 932 O ARG A 60 -3.958 -12.923 -10.129 1.00 2.24 O ATOM 933 CB ARG A 60 -3.798 -10.203 -11.918 1.00 32.24 C ATOM 934 CG ARG A 60 -2.866 -9.206 -11.234 1.00 73.14 C ATOM 935 CD ARG A 60 -1.823 -8.652 -12.200 1.00 50.24 C ATOM 936 NE ARG A 60 -0.934 -9.691 -12.714 1.00 52.14 N ATOM 937 CZ ARG A 60 0.160 -9.458 -13.392 1.00 34.42 C ATOM 938 NH1 ARG A 60 0.513 -8.250 -13.706 1.00 23.12 N ATOM 939 NH2 ARG A 60 0.895 -10.447 -13.775 1.00 3.33 N ATOM 0 H ARG A 60 -5.372 -8.850 -10.533 1.00 14.21 H new ATOM 0 HA ARG A 60 -5.495 -11.488 -11.565 1.00 74.23 H new ATOM 0 HB2 ARG A 60 -3.198 -10.994 -12.368 1.00 32.24 H new ATOM 0 HB3 ARG A 60 -4.319 -9.697 -12.731 1.00 32.24 H new ATOM 0 HG2 ARG A 60 -3.452 -8.385 -10.821 1.00 73.14 H new ATOM 0 HG3 ARG A 60 -2.365 -9.692 -10.397 1.00 73.14 H new ATOM 0 HD2 ARG A 60 -2.327 -8.163 -13.034 1.00 50.24 H new ATOM 0 HD3 ARG A 60 -1.232 -7.889 -11.694 1.00 50.24 H new ATOM 0 HE ARG A 60 -1.183 -10.663 -12.532 1.00 52.14 H new ATOM 0 HH11 ARG A 60 -0.067 -7.460 -13.424 1.00 23.12 H new ATOM 0 HH12 ARG A 60 1.370 -8.090 -14.235 1.00 23.12 H new ATOM 0 HH21 ARG A 60 0.622 -11.403 -13.549 1.00 3.33 H new ATOM 0 HH22 ARG A 60 1.749 -10.273 -14.304 1.00 3.33 H new ATOM 953 N TYR A 61 -3.756 -11.119 -8.805 1.00 4.50 N ATOM 954 CA TYR A 61 -3.082 -11.846 -7.718 1.00 63.21 C ATOM 955 C TYR A 61 -4.053 -12.179 -6.574 1.00 65.13 C ATOM 956 O TYR A 61 -5.010 -11.448 -6.319 1.00 2.33 O ATOM 957 CB TYR A 61 -1.891 -11.026 -7.186 1.00 72.43 C ATOM 958 CG TYR A 61 -2.225 -9.571 -6.901 1.00 4.12 C ATOM 959 CD1 TYR A 61 -2.875 -9.194 -5.729 1.00 43.20 C ATOM 960 CD2 TYR A 61 -1.895 -8.575 -7.813 1.00 41.24 C ATOM 961 CE1 TYR A 61 -3.191 -7.872 -5.484 1.00 55.50 C ATOM 962 CE2 TYR A 61 -2.203 -7.253 -7.570 1.00 4.22 C ATOM 963 CZ TYR A 61 -2.851 -6.906 -6.406 1.00 1.31 C ATOM 964 OH TYR A 61 -3.170 -5.590 -6.172 1.00 52.11 O ATOM 0 H TYR A 61 -3.899 -10.127 -8.618 1.00 4.50 H new ATOM 0 HA TYR A 61 -2.714 -12.787 -8.126 1.00 63.21 H new ATOM 0 HB2 TYR A 61 -1.522 -11.490 -6.271 1.00 72.43 H new ATOM 0 HB3 TYR A 61 -1.080 -11.067 -7.913 1.00 72.43 H new ATOM 0 HD1 TYR A 61 -3.136 -9.947 -5.000 1.00 43.20 H new ATOM 0 HD2 TYR A 61 -1.388 -8.842 -8.729 1.00 41.24 H new ATOM 0 HE1 TYR A 61 -3.702 -7.596 -4.574 1.00 55.50 H new ATOM 0 HE2 TYR A 61 -1.937 -6.493 -8.290 1.00 4.22 H new ATOM 0 HH TYR A 61 -3.918 -5.542 -5.541 1.00 52.11 H new ATOM 974 N VAL A 62 -3.803 -13.294 -5.893 1.00 30.55 N ATOM 975 CA VAL A 62 -4.632 -13.715 -4.758 1.00 43.52 C ATOM 976 C VAL A 62 -3.946 -13.410 -3.415 1.00 52.43 C ATOM 977 O VAL A 62 -2.802 -13.806 -3.180 1.00 4.45 O ATOM 978 CB VAL A 62 -4.964 -15.229 -4.833 1.00 70.22 C ATOM 979 CG1 VAL A 62 -5.848 -15.657 -3.660 1.00 24.23 C ATOM 980 CG2 VAL A 62 -5.630 -15.567 -6.167 1.00 44.21 C ATOM 0 H VAL A 62 -3.032 -13.927 -6.105 1.00 30.55 H new ATOM 0 HA VAL A 62 -5.559 -13.145 -4.817 1.00 43.52 H new ATOM 0 HB VAL A 62 -4.029 -15.785 -4.766 1.00 70.22 H new ATOM 0 HG11 VAL A 62 -6.065 -16.722 -3.738 1.00 24.23 H new ATOM 0 HG12 VAL A 62 -5.329 -15.460 -2.722 1.00 24.23 H new ATOM 0 HG13 VAL A 62 -6.781 -15.094 -3.683 1.00 24.23 H new ATOM 0 HG21 VAL A 62 -5.855 -16.633 -6.201 1.00 44.21 H new ATOM 0 HG22 VAL A 62 -6.554 -14.997 -6.267 1.00 44.21 H new ATOM 0 HG23 VAL A 62 -4.956 -15.312 -6.985 1.00 44.21 H new ATOM 990 N LEU A 63 -4.650 -12.697 -2.540 1.00 21.31 N ATOM 991 CA LEU A 63 -4.135 -12.372 -1.206 1.00 50.20 C ATOM 992 C LEU A 63 -4.314 -13.555 -0.246 1.00 11.14 C ATOM 993 O LEU A 63 -5.386 -13.749 0.329 1.00 50.41 O ATOM 994 CB LEU A 63 -4.835 -11.125 -0.634 1.00 34.13 C ATOM 995 CG LEU A 63 -4.457 -9.779 -1.285 1.00 51.32 C ATOM 996 CD1 LEU A 63 -2.966 -9.498 -1.126 1.00 21.10 C ATOM 997 CD2 LEU A 63 -4.851 -9.751 -2.760 1.00 44.31 C ATOM 0 H LEU A 63 -5.583 -12.330 -2.729 1.00 21.31 H new ATOM 0 HA LEU A 63 -3.070 -12.161 -1.307 1.00 50.20 H new ATOM 0 HB2 LEU A 63 -5.912 -11.262 -0.729 1.00 34.13 H new ATOM 0 HB3 LEU A 63 -4.614 -11.065 0.432 1.00 34.13 H new ATOM 0 HG LEU A 63 -5.012 -8.995 -0.770 1.00 51.32 H new ATOM 0 HD11 LEU A 63 -2.724 -8.543 -1.593 1.00 21.10 H new ATOM 0 HD12 LEU A 63 -2.714 -9.458 -0.066 1.00 21.10 H new ATOM 0 HD13 LEU A 63 -2.393 -10.292 -1.605 1.00 21.10 H new ATOM 0 HD21 LEU A 63 -4.572 -8.790 -3.193 1.00 44.31 H new ATOM 0 HD22 LEU A 63 -4.334 -10.551 -3.290 1.00 44.31 H new ATOM 0 HD23 LEU A 63 -5.928 -9.892 -2.852 1.00 44.31 H new ATOM 1009 N LYS A 64 -3.261 -14.348 -0.095 1.00 33.10 N ATOM 1010 CA LYS A 64 -3.287 -15.523 0.782 1.00 12.20 C ATOM 1011 C LYS A 64 -3.403 -15.131 2.266 1.00 34.11 C ATOM 1012 O LYS A 64 -3.258 -13.959 2.632 1.00 10.44 O ATOM 1013 CB LYS A 64 -2.020 -16.362 0.557 1.00 2.11 C ATOM 1014 CG LYS A 64 -1.855 -16.848 -0.881 1.00 15.14 C ATOM 1015 CD LYS A 64 -0.554 -17.622 -1.075 1.00 63.33 C ATOM 1016 CE LYS A 64 -0.448 -18.198 -2.483 1.00 40.23 C ATOM 1017 NZ LYS A 64 -1.530 -19.179 -2.765 1.00 41.43 N ATOM 0 H LYS A 64 -2.370 -14.201 -0.570 1.00 33.10 H new ATOM 0 HA LYS A 64 -4.170 -16.110 0.529 1.00 12.20 H new ATOM 0 HB2 LYS A 64 -1.148 -15.769 0.833 1.00 2.11 H new ATOM 0 HB3 LYS A 64 -2.043 -17.225 1.223 1.00 2.11 H new ATOM 0 HG2 LYS A 64 -2.699 -17.484 -1.148 1.00 15.14 H new ATOM 0 HG3 LYS A 64 -1.873 -15.993 -1.557 1.00 15.14 H new ATOM 0 HD2 LYS A 64 0.294 -16.963 -0.886 1.00 63.33 H new ATOM 0 HD3 LYS A 64 -0.498 -18.430 -0.346 1.00 63.33 H new ATOM 0 HE2 LYS A 64 -0.494 -17.388 -3.211 1.00 40.23 H new ATOM 0 HE3 LYS A 64 0.521 -18.682 -2.605 1.00 40.23 H new ATOM 0 HZ1 LYS A 64 -1.287 -19.729 -3.613 1.00 41.43 H new ATOM 0 HZ2 LYS A 64 -1.636 -19.821 -1.954 1.00 41.43 H new ATOM 0 HZ3 LYS A 64 -2.424 -18.673 -2.925 1.00 41.43 H new ATOM 1031 N ALA A 65 -3.669 -16.120 3.114 1.00 11.32 N ATOM 1032 CA ALA A 65 -3.781 -15.892 4.559 1.00 61.30 C ATOM 1033 C ALA A 65 -2.478 -15.319 5.145 1.00 50.21 C ATOM 1034 O ALA A 65 -1.472 -16.026 5.265 1.00 15.23 O ATOM 1035 CB ALA A 65 -4.162 -17.190 5.267 1.00 13.43 C ATOM 0 H ALA A 65 -3.812 -17.089 2.830 1.00 11.32 H new ATOM 0 HA ALA A 65 -4.566 -15.154 4.723 1.00 61.30 H new ATOM 0 HB1 ALA A 65 -4.242 -17.010 6.339 1.00 13.43 H new ATOM 0 HB2 ALA A 65 -5.120 -17.545 4.886 1.00 13.43 H new ATOM 0 HB3 ALA A 65 -3.396 -17.943 5.082 1.00 13.43 H new ATOM 1041 N GLY A 66 -2.502 -14.032 5.496 1.00 23.14 N ATOM 1042 CA GLY A 66 -1.325 -13.373 6.056 1.00 74.44 C ATOM 1043 C GLY A 66 -0.383 -12.797 4.996 1.00 32.11 C ATOM 1044 O GLY A 66 0.662 -12.237 5.335 1.00 31.31 O ATOM 0 H GLY A 66 -3.320 -13.430 5.402 1.00 23.14 H new ATOM 0 HA2 GLY A 66 -1.649 -12.569 6.717 1.00 74.44 H new ATOM 0 HA3 GLY A 66 -0.776 -14.088 6.668 1.00 74.44 H new ATOM 1048 N GLN A 67 -0.769 -12.914 3.723 1.00 22.13 N ATOM 1049 CA GLN A 67 0.070 -12.477 2.594 1.00 41.14 C ATOM 1050 C GLN A 67 0.514 -11.009 2.713 1.00 11.24 C ATOM 1051 O GLN A 67 -0.312 -10.096 2.784 1.00 2.42 O ATOM 1052 CB GLN A 67 -0.693 -12.675 1.274 1.00 45.34 C ATOM 1053 CG GLN A 67 0.044 -12.191 0.023 1.00 72.24 C ATOM 1054 CD GLN A 67 1.337 -12.947 -0.249 1.00 22.23 C ATOM 1055 OE1 GLN A 67 1.338 -13.976 -0.915 1.00 33.35 O ATOM 1056 NE2 GLN A 67 2.446 -12.433 0.243 1.00 42.25 N ATOM 0 H GLN A 67 -1.666 -13.311 3.442 1.00 22.13 H new ATOM 0 HA GLN A 67 0.971 -13.090 2.611 1.00 41.14 H new ATOM 0 HB2 GLN A 67 -0.918 -13.735 1.157 1.00 45.34 H new ATOM 0 HB3 GLN A 67 -1.647 -12.152 1.341 1.00 45.34 H new ATOM 0 HG2 GLN A 67 -0.615 -12.292 -0.839 1.00 72.24 H new ATOM 0 HG3 GLN A 67 0.268 -11.130 0.131 1.00 72.24 H new ATOM 0 HE21 GLN A 67 2.410 -11.575 0.793 1.00 42.25 H new ATOM 0 HE22 GLN A 67 3.340 -12.893 0.074 1.00 42.25 H new ATOM 1065 N THR A 68 1.827 -10.796 2.736 1.00 5.31 N ATOM 1066 CA THR A 68 2.403 -9.449 2.712 1.00 23.33 C ATOM 1067 C THR A 68 2.751 -9.026 1.279 1.00 63.11 C ATOM 1068 O THR A 68 3.634 -9.609 0.647 1.00 53.44 O ATOM 1069 CB THR A 68 3.685 -9.360 3.579 1.00 12.31 C ATOM 1070 OG1 THR A 68 4.666 -10.306 3.120 1.00 35.24 O ATOM 1071 CG2 THR A 68 3.377 -9.626 5.046 1.00 63.33 C ATOM 0 H THR A 68 2.519 -11.544 2.772 1.00 5.31 H new ATOM 0 HA THR A 68 1.647 -8.779 3.122 1.00 23.33 H new ATOM 0 HB THR A 68 4.080 -8.349 3.482 1.00 12.31 H new ATOM 0 HG1 THR A 68 4.532 -10.479 2.165 1.00 35.24 H new ATOM 0 HG21 THR A 68 4.295 -9.557 5.629 1.00 63.33 H new ATOM 0 HG22 THR A 68 2.661 -8.888 5.407 1.00 63.33 H new ATOM 0 HG23 THR A 68 2.953 -10.625 5.154 1.00 63.33 H new ATOM 1079 N VAL A 69 2.041 -8.030 0.762 1.00 42.12 N ATOM 1080 CA VAL A 69 2.318 -7.486 -0.572 1.00 12.10 C ATOM 1081 C VAL A 69 2.923 -6.079 -0.470 1.00 52.34 C ATOM 1082 O VAL A 69 2.386 -5.205 0.212 1.00 60.42 O ATOM 1083 CB VAL A 69 1.041 -7.448 -1.456 1.00 24.05 C ATOM 1084 CG1 VAL A 69 0.578 -8.865 -1.796 1.00 71.22 C ATOM 1085 CG2 VAL A 69 -0.083 -6.667 -0.771 1.00 75.24 C ATOM 0 H VAL A 69 1.265 -7.578 1.245 1.00 42.12 H new ATOM 0 HA VAL A 69 3.038 -8.152 -1.047 1.00 12.10 H new ATOM 0 HB VAL A 69 1.292 -6.933 -2.383 1.00 24.05 H new ATOM 0 HG11 VAL A 69 -0.317 -8.816 -2.416 1.00 71.22 H new ATOM 0 HG12 VAL A 69 1.367 -9.385 -2.339 1.00 71.22 H new ATOM 0 HG13 VAL A 69 0.354 -9.405 -0.876 1.00 71.22 H new ATOM 0 HG21 VAL A 69 -0.963 -6.658 -1.413 1.00 75.24 H new ATOM 0 HG22 VAL A 69 -0.331 -7.143 0.178 1.00 75.24 H new ATOM 0 HG23 VAL A 69 0.244 -5.643 -0.589 1.00 75.24 H new ATOM 1095 N THR A 70 4.047 -5.864 -1.139 1.00 41.03 N ATOM 1096 CA THR A 70 4.783 -4.602 -1.016 1.00 23.13 C ATOM 1097 C THR A 70 4.643 -3.727 -2.270 1.00 11.31 C ATOM 1098 O THR A 70 5.030 -4.123 -3.371 1.00 52.21 O ATOM 1099 CB THR A 70 6.284 -4.859 -0.734 1.00 23.13 C ATOM 1100 OG1 THR A 70 6.428 -5.655 0.455 1.00 20.21 O ATOM 1101 CG2 THR A 70 7.045 -3.550 -0.555 1.00 13.04 C ATOM 0 H THR A 70 4.473 -6.541 -1.772 1.00 41.03 H new ATOM 0 HA THR A 70 4.343 -4.067 -0.175 1.00 23.13 H new ATOM 0 HB THR A 70 6.700 -5.389 -1.591 1.00 23.13 H new ATOM 0 HG1 THR A 70 7.379 -5.816 0.628 1.00 20.21 H new ATOM 0 HG21 THR A 70 8.096 -3.764 -0.358 1.00 13.04 H new ATOM 0 HG22 THR A 70 6.960 -2.953 -1.463 1.00 13.04 H new ATOM 0 HG23 THR A 70 6.624 -2.996 0.284 1.00 13.04 H new ATOM 1109 N ILE A 71 4.070 -2.539 -2.092 1.00 3.25 N ATOM 1110 CA ILE A 71 3.954 -1.555 -3.169 1.00 51.10 C ATOM 1111 C ILE A 71 5.222 -0.692 -3.253 1.00 65.14 C ATOM 1112 O ILE A 71 5.448 0.182 -2.415 1.00 11.12 O ATOM 1113 CB ILE A 71 2.730 -0.624 -2.955 1.00 22.32 C ATOM 1114 CG1 ILE A 71 1.460 -1.444 -2.671 1.00 12.34 C ATOM 1115 CG2 ILE A 71 2.527 0.284 -4.168 1.00 61.42 C ATOM 1116 CD1 ILE A 71 1.091 -2.414 -3.771 1.00 54.23 C ATOM 0 H ILE A 71 3.675 -2.231 -1.203 1.00 3.25 H new ATOM 0 HA ILE A 71 3.822 -2.110 -4.098 1.00 51.10 H new ATOM 0 HB ILE A 71 2.928 0.003 -2.086 1.00 22.32 H new ATOM 0 HG12 ILE A 71 1.599 -1.999 -1.743 1.00 12.34 H new ATOM 0 HG13 ILE A 71 0.627 -0.759 -2.511 1.00 12.34 H new ATOM 0 HG21 ILE A 71 1.665 0.929 -3.999 1.00 61.42 H new ATOM 0 HG22 ILE A 71 3.416 0.898 -4.316 1.00 61.42 H new ATOM 0 HG23 ILE A 71 2.356 -0.326 -5.055 1.00 61.42 H new ATOM 0 HD11 ILE A 71 0.185 -2.952 -3.493 1.00 54.23 H new ATOM 0 HD12 ILE A 71 0.917 -1.865 -4.697 1.00 54.23 H new ATOM 0 HD13 ILE A 71 1.904 -3.125 -3.918 1.00 54.23 H new ATOM 1128 N TRP A 72 6.054 -0.955 -4.253 1.00 62.10 N ATOM 1129 CA TRP A 72 7.296 -0.200 -4.452 1.00 44.21 C ATOM 1130 C TRP A 72 7.055 1.053 -5.305 1.00 53.21 C ATOM 1131 O TRP A 72 6.073 1.140 -6.035 1.00 2.32 O ATOM 1132 CB TRP A 72 8.349 -1.085 -5.133 1.00 74.05 C ATOM 1133 CG TRP A 72 8.813 -2.241 -4.295 1.00 61.13 C ATOM 1134 CD1 TRP A 72 8.130 -3.395 -4.038 1.00 73.54 C ATOM 1135 CD2 TRP A 72 10.071 -2.360 -3.620 1.00 63.22 C ATOM 1136 NE1 TRP A 72 8.884 -4.218 -3.236 1.00 74.13 N ATOM 1137 CE2 TRP A 72 10.078 -3.606 -2.966 1.00 44.22 C ATOM 1138 CE3 TRP A 72 11.190 -1.529 -3.501 1.00 41.01 C ATOM 1139 CZ2 TRP A 72 11.163 -4.043 -2.209 1.00 74.34 C ATOM 1140 CZ3 TRP A 72 12.266 -1.963 -2.751 1.00 71.11 C ATOM 1141 CH2 TRP A 72 12.246 -3.211 -2.112 1.00 72.31 C ATOM 0 H TRP A 72 5.895 -1.688 -4.944 1.00 62.10 H new ATOM 0 HA TRP A 72 7.656 0.112 -3.472 1.00 44.21 H new ATOM 0 HB2 TRP A 72 7.937 -1.469 -6.066 1.00 74.05 H new ATOM 0 HB3 TRP A 72 9.211 -0.471 -5.394 1.00 74.05 H new ATOM 0 HD1 TRP A 72 7.143 -3.627 -4.410 1.00 73.54 H new ATOM 0 HE1 TRP A 72 8.600 -5.137 -2.897 1.00 74.13 H new ATOM 0 HE3 TRP A 72 11.212 -0.565 -3.987 1.00 41.01 H new ATOM 0 HZ2 TRP A 72 11.150 -5.004 -1.716 1.00 74.34 H new ATOM 0 HZ3 TRP A 72 13.136 -1.331 -2.655 1.00 71.11 H new ATOM 0 HH2 TRP A 72 13.102 -3.522 -1.532 1.00 72.31 H new ATOM 1152 N ALA A 73 7.959 2.021 -5.207 1.00 1.34 N ATOM 1153 CA ALA A 73 7.886 3.231 -6.033 1.00 70.34 C ATOM 1154 C ALA A 73 8.546 3.014 -7.404 1.00 22.34 C ATOM 1155 O ALA A 73 9.126 1.958 -7.668 1.00 12.41 O ATOM 1156 CB ALA A 73 8.537 4.407 -5.307 1.00 33.51 C ATOM 0 H ALA A 73 8.752 1.996 -4.566 1.00 1.34 H new ATOM 0 HA ALA A 73 6.834 3.459 -6.203 1.00 70.34 H new ATOM 0 HB1 ALA A 73 8.476 5.299 -5.931 1.00 33.51 H new ATOM 0 HB2 ALA A 73 8.017 4.586 -4.366 1.00 33.51 H new ATOM 0 HB3 ALA A 73 9.583 4.176 -5.105 1.00 33.51 H new ATOM 1162 N ALA A 74 8.464 4.023 -8.275 1.00 55.43 N ATOM 1163 CA ALA A 74 9.083 3.955 -9.608 1.00 30.32 C ATOM 1164 C ALA A 74 10.592 3.637 -9.538 1.00 34.50 C ATOM 1165 O ALA A 74 11.180 3.144 -10.502 1.00 44.44 O ATOM 1166 CB ALA A 74 8.851 5.264 -10.359 1.00 60.12 C ATOM 0 H ALA A 74 7.976 4.898 -8.084 1.00 55.43 H new ATOM 0 HA ALA A 74 8.608 3.136 -10.148 1.00 30.32 H new ATOM 0 HB1 ALA A 74 9.313 5.205 -11.345 1.00 60.12 H new ATOM 0 HB2 ALA A 74 7.780 5.435 -10.469 1.00 60.12 H new ATOM 0 HB3 ALA A 74 9.294 6.088 -9.800 1.00 60.12 H new ATOM 1172 N ASN A 75 11.212 3.924 -8.391 1.00 73.14 N ATOM 1173 CA ASN A 75 12.641 3.648 -8.181 1.00 53.52 C ATOM 1174 C ASN A 75 12.853 2.345 -7.388 1.00 20.10 C ATOM 1175 O ASN A 75 13.848 2.198 -6.672 1.00 30.22 O ATOM 1176 CB ASN A 75 13.296 4.819 -7.439 1.00 15.42 C ATOM 1177 CG ASN A 75 13.133 6.131 -8.178 1.00 11.03 C ATOM 1178 OD1 ASN A 75 13.890 6.442 -9.088 1.00 74.11 O ATOM 1179 ND2 ASN A 75 12.165 6.925 -7.775 1.00 32.55 N ATOM 0 H ASN A 75 10.747 4.349 -7.589 1.00 73.14 H new ATOM 0 HA ASN A 75 13.106 3.528 -9.159 1.00 53.52 H new ATOM 0 HB2 ASN A 75 12.857 4.907 -6.445 1.00 15.42 H new ATOM 0 HB3 ASN A 75 14.357 4.611 -7.302 1.00 15.42 H new ATOM 0 HD21 ASN A 75 12.028 7.830 -8.224 1.00 32.55 H new ATOM 0 HD22 ASN A 75 11.551 6.635 -7.013 1.00 32.55 H new ATOM 1186 N ALA A 76 11.921 1.406 -7.539 1.00 23.43 N ATOM 1187 CA ALA A 76 11.956 0.120 -6.828 1.00 73.20 C ATOM 1188 C ALA A 76 13.314 -0.591 -6.936 1.00 32.22 C ATOM 1189 O ALA A 76 13.986 -0.830 -5.931 1.00 50.22 O ATOM 1190 CB ALA A 76 10.864 -0.793 -7.372 1.00 61.23 C ATOM 0 H ALA A 76 11.117 1.511 -8.158 1.00 23.43 H new ATOM 0 HA ALA A 76 11.790 0.337 -5.773 1.00 73.20 H new ATOM 0 HB1 ALA A 76 10.891 -1.746 -6.844 1.00 61.23 H new ATOM 0 HB2 ALA A 76 9.891 -0.324 -7.225 1.00 61.23 H new ATOM 0 HB3 ALA A 76 11.028 -0.963 -8.436 1.00 61.23 H new ATOM 1196 N GLY A 77 13.698 -0.934 -8.161 1.00 73.54 N ATOM 1197 CA GLY A 77 14.925 -1.691 -8.393 1.00 64.42 C ATOM 1198 C GLY A 77 14.650 -3.088 -8.940 1.00 1.02 C ATOM 1199 O GLY A 77 15.385 -3.585 -9.795 1.00 15.01 O ATOM 0 H GLY A 77 13.179 -0.701 -9.008 1.00 73.54 H new ATOM 0 HA2 GLY A 77 15.558 -1.147 -9.094 1.00 64.42 H new ATOM 0 HA3 GLY A 77 15.481 -1.772 -7.459 1.00 64.42 H new ATOM 1203 N VAL A 78 13.583 -3.718 -8.448 1.00 2.12 N ATOM 1204 CA VAL A 78 13.179 -5.052 -8.911 1.00 73.13 C ATOM 1205 C VAL A 78 12.483 -4.992 -10.284 1.00 63.41 C ATOM 1206 O VAL A 78 12.099 -3.917 -10.752 1.00 32.50 O ATOM 1207 CB VAL A 78 12.239 -5.740 -7.887 1.00 62.01 C ATOM 1208 CG1 VAL A 78 12.962 -5.970 -6.561 1.00 71.42 C ATOM 1209 CG2 VAL A 78 10.965 -4.921 -7.676 1.00 3.04 C ATOM 0 H VAL A 78 12.979 -3.326 -7.726 1.00 2.12 H new ATOM 0 HA VAL A 78 14.092 -5.639 -9.009 1.00 73.13 H new ATOM 0 HB VAL A 78 11.951 -6.710 -8.292 1.00 62.01 H new ATOM 0 HG11 VAL A 78 12.285 -6.454 -5.857 1.00 71.42 H new ATOM 0 HG12 VAL A 78 13.830 -6.608 -6.726 1.00 71.42 H new ATOM 0 HG13 VAL A 78 13.287 -5.013 -6.153 1.00 71.42 H new ATOM 0 HG21 VAL A 78 10.323 -5.426 -6.954 1.00 3.04 H new ATOM 0 HG22 VAL A 78 11.226 -3.932 -7.300 1.00 3.04 H new ATOM 0 HG23 VAL A 78 10.436 -4.821 -8.624 1.00 3.04 H new ATOM 1219 N THR A 79 12.322 -6.148 -10.924 1.00 55.41 N ATOM 1220 CA THR A 79 11.709 -6.218 -12.260 1.00 43.21 C ATOM 1221 C THR A 79 10.218 -5.837 -12.246 1.00 42.13 C ATOM 1222 O THR A 79 9.599 -5.716 -11.187 1.00 35.33 O ATOM 1223 CB THR A 79 11.859 -7.623 -12.890 1.00 51.30 C ATOM 1224 OG1 THR A 79 11.365 -7.606 -14.240 1.00 24.13 O ATOM 1225 CG2 THR A 79 11.109 -8.677 -12.080 1.00 23.41 C ATOM 0 H THR A 79 12.605 -7.051 -10.544 1.00 55.41 H new ATOM 0 HA THR A 79 12.250 -5.490 -12.865 1.00 43.21 H new ATOM 0 HB THR A 79 12.917 -7.884 -12.889 1.00 51.30 H new ATOM 0 HG1 THR A 79 11.464 -8.497 -14.636 1.00 24.13 H new ATOM 0 HG21 THR A 79 11.234 -9.653 -12.549 1.00 23.41 H new ATOM 0 HG22 THR A 79 11.507 -8.708 -11.066 1.00 23.41 H new ATOM 0 HG23 THR A 79 10.049 -8.424 -12.046 1.00 23.41 H new ATOM 1233 N ALA A 80 9.641 -5.677 -13.436 1.00 2.04 N ATOM 1234 CA ALA A 80 8.264 -5.196 -13.582 1.00 43.01 C ATOM 1235 C ALA A 80 7.215 -6.267 -13.223 1.00 52.50 C ATOM 1236 O ALA A 80 6.814 -7.070 -14.067 1.00 2.41 O ATOM 1237 CB ALA A 80 8.043 -4.687 -15.000 1.00 61.23 C ATOM 0 H ALA A 80 10.109 -5.875 -14.321 1.00 2.04 H new ATOM 0 HA ALA A 80 8.129 -4.380 -12.872 1.00 43.01 H new ATOM 0 HB1 ALA A 80 7.018 -4.331 -15.103 1.00 61.23 H new ATOM 0 HB2 ALA A 80 8.734 -3.869 -15.205 1.00 61.23 H new ATOM 0 HB3 ALA A 80 8.219 -5.496 -15.709 1.00 61.23 H new ATOM 1243 N SER A 81 6.794 -6.270 -11.959 1.00 24.04 N ATOM 1244 CA SER A 81 5.679 -7.112 -11.478 1.00 65.45 C ATOM 1245 C SER A 81 5.927 -8.624 -11.671 1.00 1.34 C ATOM 1246 O SER A 81 5.652 -9.185 -12.737 1.00 31.21 O ATOM 1247 CB SER A 81 4.359 -6.705 -12.156 1.00 52.24 C ATOM 1248 OG SER A 81 4.008 -5.368 -11.832 1.00 62.32 O ATOM 0 H SER A 81 7.212 -5.690 -11.231 1.00 24.04 H new ATOM 0 HA SER A 81 5.610 -6.938 -10.404 1.00 65.45 H new ATOM 0 HB2 SER A 81 4.455 -6.807 -13.237 1.00 52.24 H new ATOM 0 HB3 SER A 81 3.562 -7.380 -11.842 1.00 52.24 H new ATOM 0 HG SER A 81 3.167 -5.134 -12.277 1.00 62.32 H new ATOM 1254 N PRO A 82 6.451 -9.301 -10.623 1.00 3.42 N ATOM 1255 CA PRO A 82 6.683 -10.768 -10.627 1.00 24.45 C ATOM 1256 C PRO A 82 5.461 -11.658 -11.010 1.00 60.42 C ATOM 1257 O PRO A 82 5.637 -12.634 -11.743 1.00 15.31 O ATOM 1258 CB PRO A 82 7.138 -11.052 -9.189 1.00 50.43 C ATOM 1259 CG PRO A 82 7.743 -9.768 -8.730 1.00 62.02 C ATOM 1260 CD PRO A 82 6.923 -8.680 -9.366 1.00 35.10 C ATOM 0 HA PRO A 82 7.403 -11.028 -11.403 1.00 24.45 H new ATOM 0 HB2 PRO A 82 6.299 -11.344 -8.557 1.00 50.43 H new ATOM 0 HB3 PRO A 82 7.861 -11.867 -9.155 1.00 50.43 H new ATOM 0 HG2 PRO A 82 7.720 -9.691 -7.643 1.00 62.02 H new ATOM 0 HG3 PRO A 82 8.788 -9.698 -9.032 1.00 62.02 H new ATOM 0 HD2 PRO A 82 6.091 -8.378 -8.729 1.00 35.10 H new ATOM 0 HD3 PRO A 82 7.518 -7.787 -9.557 1.00 35.10 H new ATOM 1268 N PRO A 83 4.206 -11.381 -10.547 1.00 3.34 N ATOM 1269 CA PRO A 83 3.840 -10.279 -9.648 1.00 33.32 C ATOM 1270 C PRO A 83 3.712 -10.677 -8.159 1.00 43.50 C ATOM 1271 O PRO A 83 3.129 -11.706 -7.816 1.00 64.32 O ATOM 1272 CB PRO A 83 2.474 -9.883 -10.206 1.00 71.42 C ATOM 1273 CG PRO A 83 1.857 -11.180 -10.641 1.00 42.50 C ATOM 1274 CD PRO A 83 2.999 -12.141 -10.933 1.00 22.11 C ATOM 0 HA PRO A 83 4.600 -9.497 -9.633 1.00 33.32 H new ATOM 0 HB2 PRO A 83 1.865 -9.387 -9.450 1.00 71.42 H new ATOM 0 HB3 PRO A 83 2.572 -9.190 -11.041 1.00 71.42 H new ATOM 0 HG2 PRO A 83 1.208 -11.579 -9.861 1.00 42.50 H new ATOM 0 HG3 PRO A 83 1.239 -11.035 -11.527 1.00 42.50 H new ATOM 0 HD2 PRO A 83 2.905 -13.061 -10.357 1.00 22.11 H new ATOM 0 HD3 PRO A 83 3.024 -12.425 -11.985 1.00 22.11 H new ATOM 1282 N THR A 84 4.267 -9.839 -7.288 1.00 64.34 N ATOM 1283 CA THR A 84 4.080 -9.947 -5.831 1.00 62.20 C ATOM 1284 C THR A 84 4.503 -8.627 -5.176 1.00 11.34 C ATOM 1285 O THR A 84 3.779 -8.053 -4.360 1.00 53.25 O ATOM 1286 CB THR A 84 4.850 -11.142 -5.201 1.00 3.44 C ATOM 1287 OG1 THR A 84 4.665 -11.154 -3.777 1.00 75.22 O ATOM 1288 CG2 THR A 84 6.341 -11.102 -5.526 1.00 42.34 C ATOM 0 H THR A 84 4.863 -9.060 -7.567 1.00 64.34 H new ATOM 0 HA THR A 84 3.024 -10.142 -5.647 1.00 62.20 H new ATOM 0 HB THR A 84 4.441 -12.055 -5.634 1.00 3.44 H new ATOM 0 HG1 THR A 84 5.153 -11.911 -3.390 1.00 75.22 H new ATOM 0 HG21 THR A 84 6.837 -11.956 -5.065 1.00 42.34 H new ATOM 0 HG22 THR A 84 6.479 -11.142 -6.606 1.00 42.34 H new ATOM 0 HG23 THR A 84 6.773 -10.179 -5.139 1.00 42.34 H new ATOM 1296 N ASP A 85 5.683 -8.143 -5.565 1.00 13.43 N ATOM 1297 CA ASP A 85 6.081 -6.763 -5.312 1.00 13.22 C ATOM 1298 C ASP A 85 5.552 -5.873 -6.450 1.00 3.43 C ATOM 1299 O ASP A 85 5.950 -6.041 -7.606 1.00 40.33 O ATOM 1300 CB ASP A 85 7.609 -6.660 -5.234 1.00 54.11 C ATOM 1301 CG ASP A 85 8.201 -7.569 -4.171 1.00 61.33 C ATOM 1302 OD1 ASP A 85 8.497 -8.744 -4.485 1.00 62.12 O ATOM 1303 OD2 ASP A 85 8.388 -7.110 -3.023 1.00 33.12 O ATOM 0 H ASP A 85 6.384 -8.694 -6.061 1.00 13.43 H new ATOM 0 HA ASP A 85 5.663 -6.432 -4.362 1.00 13.22 H new ATOM 0 HB2 ASP A 85 8.037 -6.914 -6.204 1.00 54.11 H new ATOM 0 HB3 ASP A 85 7.890 -5.628 -5.022 1.00 54.11 H new ATOM 1308 N LEU A 86 4.641 -4.956 -6.140 1.00 24.04 N ATOM 1309 CA LEU A 86 4.022 -4.113 -7.174 1.00 1.41 C ATOM 1310 C LEU A 86 4.780 -2.792 -7.356 1.00 11.34 C ATOM 1311 O LEU A 86 4.783 -1.937 -6.470 1.00 50.23 O ATOM 1312 CB LEU A 86 2.550 -3.835 -6.833 1.00 22.54 C ATOM 1313 CG LEU A 86 1.646 -5.081 -6.756 1.00 45.22 C ATOM 1314 CD1 LEU A 86 0.202 -4.686 -6.451 1.00 21.45 C ATOM 1315 CD2 LEU A 86 1.724 -5.889 -8.053 1.00 25.41 C ATOM 0 H LEU A 86 4.313 -4.773 -5.192 1.00 24.04 H new ATOM 0 HA LEU A 86 4.072 -4.660 -8.115 1.00 1.41 H new ATOM 0 HB2 LEU A 86 2.508 -3.316 -5.876 1.00 22.54 H new ATOM 0 HB3 LEU A 86 2.142 -3.156 -7.582 1.00 22.54 H new ATOM 0 HG LEU A 86 2.005 -5.710 -5.941 1.00 45.22 H new ATOM 0 HD11 LEU A 86 -0.417 -5.582 -6.401 1.00 21.45 H new ATOM 0 HD12 LEU A 86 0.162 -4.164 -5.495 1.00 21.45 H new ATOM 0 HD13 LEU A 86 -0.170 -4.031 -7.239 1.00 21.45 H new ATOM 0 HD21 LEU A 86 1.078 -6.764 -7.976 1.00 25.41 H new ATOM 0 HD22 LEU A 86 1.398 -5.269 -8.888 1.00 25.41 H new ATOM 0 HD23 LEU A 86 2.752 -6.211 -8.220 1.00 25.41 H new ATOM 1327 N ILE A 87 5.421 -2.631 -8.514 1.00 3.30 N ATOM 1328 CA ILE A 87 6.183 -1.417 -8.816 1.00 52.44 C ATOM 1329 C ILE A 87 5.250 -0.301 -9.310 1.00 11.21 C ATOM 1330 O ILE A 87 4.874 -0.245 -10.486 1.00 61.23 O ATOM 1331 CB ILE A 87 7.305 -1.667 -9.868 1.00 10.22 C ATOM 1332 CG1 ILE A 87 8.317 -2.722 -9.374 1.00 14.40 C ATOM 1333 CG2 ILE A 87 8.033 -0.364 -10.199 1.00 42.52 C ATOM 1334 CD1 ILE A 87 7.774 -4.133 -9.303 1.00 21.14 C ATOM 0 H ILE A 87 5.428 -3.327 -9.260 1.00 3.30 H new ATOM 0 HA ILE A 87 6.662 -1.108 -7.887 1.00 52.44 H new ATOM 0 HB ILE A 87 6.828 -2.048 -10.771 1.00 10.22 H new ATOM 0 HG12 ILE A 87 9.183 -2.713 -10.036 1.00 14.40 H new ATOM 0 HG13 ILE A 87 8.669 -2.432 -8.384 1.00 14.40 H new ATOM 0 HG21 ILE A 87 8.813 -0.560 -10.935 1.00 42.52 H new ATOM 0 HG22 ILE A 87 7.323 0.356 -10.605 1.00 42.52 H new ATOM 0 HG23 ILE A 87 8.483 0.042 -9.293 1.00 42.52 H new ATOM 0 HD11 ILE A 87 8.554 -4.806 -8.946 1.00 21.14 H new ATOM 0 HD12 ILE A 87 6.927 -4.163 -8.617 1.00 21.14 H new ATOM 0 HD13 ILE A 87 7.449 -4.448 -10.295 1.00 21.14 H new ATOM 1346 N TRP A 88 4.859 0.569 -8.391 1.00 54.25 N ATOM 1347 CA TRP A 88 3.971 1.688 -8.692 1.00 73.12 C ATOM 1348 C TRP A 88 4.697 2.763 -9.525 1.00 44.01 C ATOM 1349 O TRP A 88 5.258 3.720 -8.990 1.00 61.42 O ATOM 1350 CB TRP A 88 3.433 2.269 -7.377 1.00 63.11 C ATOM 1351 CG TRP A 88 2.424 3.358 -7.554 1.00 70.42 C ATOM 1352 CD1 TRP A 88 1.196 3.257 -8.137 1.00 34.44 C ATOM 1353 CD2 TRP A 88 2.553 4.713 -7.123 1.00 11.35 C ATOM 1354 NE1 TRP A 88 0.558 4.471 -8.103 1.00 24.10 N ATOM 1355 CE2 TRP A 88 1.370 5.381 -7.484 1.00 35.13 C ATOM 1356 CE3 TRP A 88 3.559 5.430 -6.471 1.00 40.15 C ATOM 1357 CZ2 TRP A 88 1.163 6.727 -7.210 1.00 31.40 C ATOM 1358 CZ3 TRP A 88 3.352 6.765 -6.201 1.00 25.12 C ATOM 1359 CH2 TRP A 88 2.163 7.402 -6.571 1.00 44.51 C ATOM 0 H TRP A 88 5.147 0.521 -7.414 1.00 54.25 H new ATOM 0 HA TRP A 88 3.134 1.333 -9.292 1.00 73.12 H new ATOM 0 HB2 TRP A 88 2.984 1.465 -6.795 1.00 63.11 H new ATOM 0 HB3 TRP A 88 4.269 2.656 -6.795 1.00 63.11 H new ATOM 0 HD1 TRP A 88 0.785 2.354 -8.563 1.00 34.44 H new ATOM 0 HE1 TRP A 88 -0.371 4.664 -8.478 1.00 24.10 H new ATOM 0 HE3 TRP A 88 4.481 4.947 -6.184 1.00 40.15 H new ATOM 0 HZ2 TRP A 88 0.245 7.221 -7.492 1.00 31.40 H new ATOM 0 HZ3 TRP A 88 4.121 7.329 -5.695 1.00 25.12 H new ATOM 0 HH2 TRP A 88 2.033 8.450 -6.346 1.00 44.51 H new ATOM 1370 N LYS A 89 4.690 2.581 -10.847 1.00 24.14 N ATOM 1371 CA LYS A 89 5.422 3.465 -11.771 1.00 45.41 C ATOM 1372 C LYS A 89 4.671 4.777 -12.066 1.00 34.22 C ATOM 1373 O LYS A 89 5.097 5.560 -12.917 1.00 72.32 O ATOM 1374 CB LYS A 89 5.700 2.726 -13.090 1.00 64.13 C ATOM 1375 CG LYS A 89 6.548 1.468 -12.925 1.00 54.32 C ATOM 1376 CD LYS A 89 6.854 0.801 -14.266 1.00 51.33 C ATOM 1377 CE LYS A 89 5.592 0.302 -14.971 1.00 53.13 C ATOM 1378 NZ LYS A 89 5.900 -0.323 -16.287 1.00 53.24 N ATOM 0 H LYS A 89 4.183 1.826 -11.309 1.00 24.14 H new ATOM 0 HA LYS A 89 6.358 3.731 -11.279 1.00 45.41 H new ATOM 0 HB2 LYS A 89 4.750 2.455 -13.551 1.00 64.13 H new ATOM 0 HB3 LYS A 89 6.205 3.405 -13.777 1.00 64.13 H new ATOM 0 HG2 LYS A 89 7.483 1.724 -12.426 1.00 54.32 H new ATOM 0 HG3 LYS A 89 6.026 0.761 -12.280 1.00 54.32 H new ATOM 0 HD2 LYS A 89 7.371 1.511 -14.912 1.00 51.33 H new ATOM 0 HD3 LYS A 89 7.532 -0.037 -14.105 1.00 51.33 H new ATOM 0 HE2 LYS A 89 5.084 -0.423 -14.335 1.00 53.13 H new ATOM 0 HE3 LYS A 89 4.905 1.135 -15.117 1.00 53.13 H new ATOM 0 HZ1 LYS A 89 5.018 -0.648 -16.732 1.00 53.24 H new ATOM 0 HZ2 LYS A 89 6.362 0.376 -16.903 1.00 53.24 H new ATOM 0 HZ3 LYS A 89 6.536 -1.134 -16.146 1.00 53.24 H new ATOM 1392 N ASN A 90 3.567 5.023 -11.365 1.00 41.45 N ATOM 1393 CA ASN A 90 2.772 6.239 -11.588 1.00 1.14 C ATOM 1394 C ASN A 90 3.505 7.500 -11.098 1.00 51.22 C ATOM 1395 O ASN A 90 3.281 8.596 -11.615 1.00 14.44 O ATOM 1396 CB ASN A 90 1.404 6.126 -10.902 1.00 24.14 C ATOM 1397 CG ASN A 90 0.545 5.006 -11.469 1.00 21.33 C ATOM 1398 OD1 ASN A 90 -0.249 4.397 -10.763 1.00 72.24 O ATOM 1399 ND2 ASN A 90 0.689 4.726 -12.750 1.00 34.14 N ATOM 0 H ASN A 90 3.200 4.405 -10.642 1.00 41.45 H new ATOM 0 HA ASN A 90 2.624 6.334 -12.664 1.00 1.14 H new ATOM 0 HB2 ASN A 90 1.552 5.959 -9.835 1.00 24.14 H new ATOM 0 HB3 ASN A 90 0.873 7.072 -11.006 1.00 24.14 H new ATOM 0 HD21 ASN A 90 0.131 3.986 -13.176 1.00 34.14 H new ATOM 0 HD22 ASN A 90 1.358 5.250 -13.314 1.00 34.14 H new ATOM 1406 N GLN A 91 4.383 7.344 -10.106 1.00 21.35 N ATOM 1407 CA GLN A 91 5.151 8.476 -9.572 1.00 24.21 C ATOM 1408 C GLN A 91 6.416 7.998 -8.831 1.00 75.43 C ATOM 1409 O GLN A 91 6.485 6.856 -8.368 1.00 1.33 O ATOM 1410 CB GLN A 91 4.262 9.325 -8.643 1.00 11.43 C ATOM 1411 CG GLN A 91 4.904 10.632 -8.182 1.00 41.25 C ATOM 1412 CD GLN A 91 3.940 11.526 -7.416 1.00 15.33 C ATOM 1413 OE1 GLN A 91 2.736 11.502 -7.642 1.00 61.11 O ATOM 1414 NE2 GLN A 91 4.459 12.334 -6.513 1.00 53.00 N ATOM 0 H GLN A 91 4.581 6.450 -9.656 1.00 21.35 H new ATOM 0 HA GLN A 91 5.476 9.093 -10.410 1.00 24.21 H new ATOM 0 HB2 GLN A 91 3.330 9.554 -9.160 1.00 11.43 H new ATOM 0 HB3 GLN A 91 4.002 8.732 -7.766 1.00 11.43 H new ATOM 0 HG2 GLN A 91 5.763 10.406 -7.550 1.00 41.25 H new ATOM 0 HG3 GLN A 91 5.281 11.172 -9.050 1.00 41.25 H new ATOM 0 HE21 GLN A 91 5.465 12.333 -6.346 1.00 53.00 H new ATOM 0 HE22 GLN A 91 3.854 12.960 -5.982 1.00 53.00 H new ATOM 1423 N ASN A 92 7.412 8.878 -8.721 1.00 64.15 N ATOM 1424 CA ASN A 92 8.704 8.530 -8.112 1.00 12.11 C ATOM 1425 C ASN A 92 8.638 8.414 -6.574 1.00 61.51 C ATOM 1426 O ASN A 92 7.561 8.427 -5.976 1.00 21.41 O ATOM 1427 CB ASN A 92 9.763 9.560 -8.525 1.00 12.23 C ATOM 1428 CG ASN A 92 10.103 9.469 -10.001 1.00 34.22 C ATOM 1429 OD1 ASN A 92 10.052 8.398 -10.596 1.00 43.53 O ATOM 1430 ND2 ASN A 92 10.458 10.584 -10.603 1.00 70.20 N ATOM 0 H ASN A 92 7.351 9.843 -9.046 1.00 64.15 H new ATOM 0 HA ASN A 92 8.978 7.542 -8.483 1.00 12.11 H new ATOM 0 HB2 ASN A 92 9.401 10.563 -8.298 1.00 12.23 H new ATOM 0 HB3 ASN A 92 10.667 9.407 -7.935 1.00 12.23 H new ATOM 0 HD21 ASN A 92 10.701 10.574 -11.594 1.00 70.20 H new ATOM 0 HD22 ASN A 92 10.490 11.459 -10.079 1.00 70.20 H new ATOM 1437 N SER A 93 9.811 8.300 -5.949 1.00 12.32 N ATOM 1438 CA SER A 93 9.924 8.045 -4.501 1.00 13.31 C ATOM 1439 C SER A 93 9.429 9.231 -3.651 1.00 61.24 C ATOM 1440 O SER A 93 8.866 10.197 -4.173 1.00 21.33 O ATOM 1441 CB SER A 93 11.386 7.732 -4.153 1.00 75.52 C ATOM 1442 OG SER A 93 11.879 6.652 -4.935 1.00 32.42 O ATOM 0 H SER A 93 10.710 8.381 -6.425 1.00 12.32 H new ATOM 0 HA SER A 93 9.285 7.194 -4.266 1.00 13.31 H new ATOM 0 HB2 SER A 93 12.000 8.617 -4.321 1.00 75.52 H new ATOM 0 HB3 SER A 93 11.466 7.485 -3.094 1.00 75.52 H new ATOM 0 HG SER A 93 12.812 6.474 -4.695 1.00 32.42 H new ATOM 1448 N TRP A 94 9.627 9.147 -2.334 1.00 34.20 N ATOM 1449 CA TRP A 94 9.242 10.234 -1.421 1.00 64.03 C ATOM 1450 C TRP A 94 10.275 10.418 -0.297 1.00 22.04 C ATOM 1451 O TRP A 94 10.904 9.461 0.149 1.00 32.12 O ATOM 1452 CB TRP A 94 7.844 9.975 -0.824 1.00 13.13 C ATOM 1453 CG TRP A 94 7.725 8.684 -0.059 1.00 32.32 C ATOM 1454 CD1 TRP A 94 7.936 8.501 1.279 1.00 51.10 C ATOM 1455 CD2 TRP A 94 7.355 7.401 -0.584 1.00 13.42 C ATOM 1456 NE1 TRP A 94 7.723 7.186 1.615 1.00 75.33 N ATOM 1457 CE2 TRP A 94 7.366 6.490 0.489 1.00 1.14 C ATOM 1458 CE3 TRP A 94 7.018 6.934 -1.860 1.00 35.42 C ATOM 1459 CZ2 TRP A 94 7.052 5.143 0.327 1.00 31.00 C ATOM 1460 CZ3 TRP A 94 6.706 5.597 -2.020 1.00 34.41 C ATOM 1461 CH2 TRP A 94 6.725 4.714 -0.932 1.00 2.31 C ATOM 0 H TRP A 94 10.050 8.341 -1.873 1.00 34.20 H new ATOM 0 HA TRP A 94 9.210 11.155 -2.003 1.00 64.03 H new ATOM 0 HB2 TRP A 94 7.586 10.801 -0.161 1.00 13.13 H new ATOM 0 HB3 TRP A 94 7.112 9.974 -1.631 1.00 13.13 H new ATOM 0 HD1 TRP A 94 8.228 9.277 1.971 1.00 51.10 H new ATOM 0 HE1 TRP A 94 7.816 6.791 2.551 1.00 75.33 H new ATOM 0 HE3 TRP A 94 7.002 7.607 -2.705 1.00 35.42 H new ATOM 0 HZ2 TRP A 94 7.066 4.461 1.164 1.00 31.00 H new ATOM 0 HZ3 TRP A 94 6.443 5.227 -3.000 1.00 34.41 H new ATOM 0 HH2 TRP A 94 6.477 3.675 -1.089 1.00 2.31 H new ATOM 1472 N GLY A 95 10.451 11.663 0.146 1.00 13.12 N ATOM 1473 CA GLY A 95 11.383 11.959 1.230 1.00 44.14 C ATOM 1474 C GLY A 95 11.488 13.456 1.522 1.00 55.05 C ATOM 1475 O GLY A 95 12.578 13.984 1.731 1.00 75.41 O ATOM 0 H GLY A 95 9.963 12.477 -0.227 1.00 13.12 H new ATOM 0 HA2 GLY A 95 11.063 11.438 2.132 1.00 44.14 H new ATOM 0 HA3 GLY A 95 12.369 11.573 0.972 1.00 44.14 H new ATOM 1479 N THR A 96 10.341 14.138 1.552 1.00 72.32 N ATOM 1480 CA THR A 96 10.299 15.604 1.747 1.00 1.23 C ATOM 1481 C THR A 96 10.370 16.003 3.233 1.00 74.22 C ATOM 1482 O THR A 96 10.011 17.121 3.599 1.00 21.24 O ATOM 1483 CB THR A 96 9.007 16.205 1.127 1.00 30.51 C ATOM 1484 OG1 THR A 96 9.034 17.643 1.167 1.00 14.43 O ATOM 1485 CG2 THR A 96 7.763 15.704 1.857 1.00 13.13 C ATOM 0 H THR A 96 9.424 13.705 1.444 1.00 72.32 H new ATOM 0 HA THR A 96 11.178 16.005 1.243 1.00 1.23 H new ATOM 0 HB THR A 96 8.966 15.878 0.088 1.00 30.51 H new ATOM 0 HG1 THR A 96 9.277 17.941 2.068 1.00 14.43 H new ATOM 0 HG21 THR A 96 6.874 16.140 1.402 1.00 13.13 H new ATOM 0 HG22 THR A 96 7.712 14.618 1.785 1.00 13.13 H new ATOM 0 HG23 THR A 96 7.814 15.996 2.906 1.00 13.13 H new ATOM 1493 N GLY A 97 10.832 15.092 4.089 1.00 22.03 N ATOM 1494 CA GLY A 97 10.915 15.379 5.524 1.00 34.52 C ATOM 1495 C GLY A 97 9.626 15.054 6.276 1.00 31.24 C ATOM 1496 O GLY A 97 9.660 14.591 7.420 1.00 21.43 O ATOM 0 H GLY A 97 11.151 14.161 3.821 1.00 22.03 H new ATOM 0 HA2 GLY A 97 11.735 14.806 5.956 1.00 34.52 H new ATOM 0 HA3 GLY A 97 11.154 16.433 5.664 1.00 34.52 H new ATOM 1500 N GLU A 98 8.482 15.314 5.645 1.00 34.23 N ATOM 1501 CA GLU A 98 7.181 14.976 6.234 1.00 65.51 C ATOM 1502 C GLU A 98 6.763 13.532 5.917 1.00 22.53 C ATOM 1503 O GLU A 98 7.152 12.961 4.896 1.00 44.25 O ATOM 1504 CB GLU A 98 6.097 15.965 5.768 1.00 61.24 C ATOM 1505 CG GLU A 98 6.096 17.285 6.538 1.00 53.02 C ATOM 1506 CD GLU A 98 5.736 17.100 8.008 1.00 71.45 C ATOM 1507 OE1 GLU A 98 6.644 16.804 8.819 1.00 11.44 O ATOM 1508 OE2 GLU A 98 4.539 17.230 8.357 1.00 51.44 O ATOM 0 H GLU A 98 8.426 15.757 4.728 1.00 34.23 H new ATOM 0 HA GLU A 98 7.288 15.056 7.316 1.00 65.51 H new ATOM 0 HB2 GLU A 98 6.240 16.173 4.708 1.00 61.24 H new ATOM 0 HB3 GLU A 98 5.120 15.494 5.871 1.00 61.24 H new ATOM 0 HG2 GLU A 98 7.080 17.747 6.463 1.00 53.02 H new ATOM 0 HG3 GLU A 98 5.386 17.971 6.076 1.00 53.02 H new ATOM 1515 N ASP A 99 5.977 12.958 6.818 1.00 1.23 N ATOM 1516 CA ASP A 99 5.498 11.580 6.693 1.00 71.03 C ATOM 1517 C ASP A 99 4.444 11.428 5.579 1.00 54.41 C ATOM 1518 O ASP A 99 3.475 12.187 5.514 1.00 40.21 O ATOM 1519 CB ASP A 99 4.922 11.123 8.042 1.00 70.03 C ATOM 1520 CG ASP A 99 3.830 12.052 8.560 1.00 53.12 C ATOM 1521 OD1 ASP A 99 4.102 13.256 8.742 1.00 54.21 O ATOM 1522 OD2 ASP A 99 2.700 11.581 8.805 1.00 52.22 O ATOM 0 H ASP A 99 5.650 13.433 7.660 1.00 1.23 H new ATOM 0 HA ASP A 99 6.343 10.950 6.415 1.00 71.03 H new ATOM 0 HB2 ASP A 99 4.518 10.116 7.937 1.00 70.03 H new ATOM 0 HB3 ASP A 99 5.726 11.069 8.776 1.00 70.03 H new ATOM 1527 N VAL A 100 4.639 10.441 4.705 1.00 33.34 N ATOM 1528 CA VAL A 100 3.661 10.149 3.654 1.00 5.03 C ATOM 1529 C VAL A 100 2.439 9.416 4.233 1.00 32.23 C ATOM 1530 O VAL A 100 2.519 8.253 4.636 1.00 14.11 O ATOM 1531 CB VAL A 100 4.282 9.326 2.487 1.00 33.11 C ATOM 1532 CG1 VAL A 100 4.875 8.009 2.984 1.00 22.40 C ATOM 1533 CG2 VAL A 100 3.249 9.078 1.387 1.00 55.13 C ATOM 0 H VAL A 100 5.458 9.833 4.702 1.00 33.34 H new ATOM 0 HA VAL A 100 3.338 11.106 3.245 1.00 5.03 H new ATOM 0 HB VAL A 100 5.097 9.915 2.065 1.00 33.11 H new ATOM 0 HG11 VAL A 100 5.299 7.461 2.143 1.00 22.40 H new ATOM 0 HG12 VAL A 100 5.657 8.215 3.715 1.00 22.40 H new ATOM 0 HG13 VAL A 100 4.092 7.410 3.449 1.00 22.40 H new ATOM 0 HG21 VAL A 100 3.705 8.501 0.582 1.00 55.13 H new ATOM 0 HG22 VAL A 100 2.406 8.523 1.798 1.00 55.13 H new ATOM 0 HG23 VAL A 100 2.898 10.033 0.995 1.00 55.13 H new ATOM 1543 N LYS A 101 1.312 10.113 4.297 1.00 75.31 N ATOM 1544 CA LYS A 101 0.088 9.545 4.860 1.00 15.03 C ATOM 1545 C LYS A 101 -0.745 8.853 3.771 1.00 13.42 C ATOM 1546 O LYS A 101 -1.408 9.502 2.956 1.00 62.40 O ATOM 1547 CB LYS A 101 -0.713 10.641 5.584 1.00 14.52 C ATOM 1548 CG LYS A 101 -2.054 10.174 6.145 1.00 22.12 C ATOM 1549 CD LYS A 101 -2.574 11.080 7.270 1.00 14.52 C ATOM 1550 CE LYS A 101 -2.539 12.571 6.910 1.00 24.23 C ATOM 1551 NZ LYS A 101 -1.200 13.189 7.161 1.00 44.33 N ATOM 0 H LYS A 101 1.217 11.073 3.967 1.00 75.31 H new ATOM 0 HA LYS A 101 0.353 8.782 5.592 1.00 15.03 H new ATOM 0 HB2 LYS A 101 -0.109 11.036 6.401 1.00 14.52 H new ATOM 0 HB3 LYS A 101 -0.889 11.463 4.891 1.00 14.52 H new ATOM 0 HG2 LYS A 101 -2.789 10.143 5.340 1.00 22.12 H new ATOM 0 HG3 LYS A 101 -1.951 9.156 6.522 1.00 22.12 H new ATOM 0 HD2 LYS A 101 -3.598 10.795 7.513 1.00 14.52 H new ATOM 0 HD3 LYS A 101 -1.976 10.915 8.166 1.00 14.52 H new ATOM 0 HE2 LYS A 101 -2.801 12.694 5.859 1.00 24.23 H new ATOM 0 HE3 LYS A 101 -3.294 13.100 7.491 1.00 24.23 H new ATOM 0 HZ1 LYS A 101 -1.326 14.140 7.563 1.00 44.33 H new ATOM 0 HZ2 LYS A 101 -0.665 12.599 7.829 1.00 44.33 H new ATOM 0 HZ3 LYS A 101 -0.677 13.259 6.265 1.00 44.33 H new ATOM 1565 N VAL A 102 -0.683 7.526 3.758 1.00 75.22 N ATOM 1566 CA VAL A 102 -1.333 6.723 2.722 1.00 34.34 C ATOM 1567 C VAL A 102 -2.782 6.367 3.093 1.00 23.44 C ATOM 1568 O VAL A 102 -3.053 5.826 4.170 1.00 53.52 O ATOM 1569 CB VAL A 102 -0.531 5.427 2.456 1.00 22.52 C ATOM 1570 CG1 VAL A 102 -1.200 4.582 1.372 1.00 64.11 C ATOM 1571 CG2 VAL A 102 0.912 5.761 2.076 1.00 11.21 C ATOM 0 H VAL A 102 -0.185 6.977 4.459 1.00 75.22 H new ATOM 0 HA VAL A 102 -1.357 7.329 1.816 1.00 34.34 H new ATOM 0 HB VAL A 102 -0.517 4.839 3.374 1.00 22.52 H new ATOM 0 HG11 VAL A 102 -0.616 3.677 1.204 1.00 64.11 H new ATOM 0 HG12 VAL A 102 -2.206 4.311 1.691 1.00 64.11 H new ATOM 0 HG13 VAL A 102 -1.255 5.155 0.446 1.00 64.11 H new ATOM 0 HG21 VAL A 102 1.463 4.838 1.892 1.00 11.21 H new ATOM 0 HG22 VAL A 102 0.918 6.373 1.174 1.00 11.21 H new ATOM 0 HG23 VAL A 102 1.385 6.310 2.890 1.00 11.21 H new ATOM 1581 N ILE A 103 -3.699 6.679 2.184 1.00 74.05 N ATOM 1582 CA ILE A 103 -5.125 6.413 2.369 1.00 1.35 C ATOM 1583 C ILE A 103 -5.551 5.109 1.667 1.00 33.20 C ATOM 1584 O ILE A 103 -5.222 4.885 0.499 1.00 55.32 O ATOM 1585 CB ILE A 103 -5.964 7.592 1.808 1.00 44.20 C ATOM 1586 CG1 ILE A 103 -5.647 8.899 2.560 1.00 23.53 C ATOM 1587 CG2 ILE A 103 -7.455 7.276 1.864 1.00 32.13 C ATOM 1588 CD1 ILE A 103 -5.951 8.851 4.045 1.00 51.23 C ATOM 0 H ILE A 103 -3.476 7.125 1.294 1.00 74.05 H new ATOM 0 HA ILE A 103 -5.304 6.305 3.439 1.00 1.35 H new ATOM 0 HB ILE A 103 -5.691 7.732 0.762 1.00 44.20 H new ATOM 0 HG12 ILE A 103 -4.592 9.137 2.424 1.00 23.53 H new ATOM 0 HG13 ILE A 103 -6.217 9.712 2.110 1.00 23.53 H new ATOM 0 HG21 ILE A 103 -8.021 8.118 1.465 1.00 32.13 H new ATOM 0 HG22 ILE A 103 -7.661 6.386 1.269 1.00 32.13 H new ATOM 0 HG23 ILE A 103 -7.751 7.098 2.898 1.00 32.13 H new ATOM 0 HD11 ILE A 103 -5.700 9.810 4.499 1.00 51.23 H new ATOM 0 HD12 ILE A 103 -7.011 8.646 4.193 1.00 51.23 H new ATOM 0 HD13 ILE A 103 -5.361 8.063 4.512 1.00 51.23 H new ATOM 1600 N LEU A 104 -6.288 4.255 2.379 1.00 1.25 N ATOM 1601 CA LEU A 104 -6.797 2.998 1.806 1.00 34.13 C ATOM 1602 C LEU A 104 -8.329 3.022 1.652 1.00 72.23 C ATOM 1603 O LEU A 104 -9.074 2.961 2.638 1.00 45.04 O ATOM 1604 CB LEU A 104 -6.374 1.798 2.670 1.00 53.24 C ATOM 1605 CG LEU A 104 -4.859 1.547 2.753 1.00 70.51 C ATOM 1606 CD1 LEU A 104 -4.565 0.311 3.600 1.00 12.22 C ATOM 1607 CD2 LEU A 104 -4.256 1.398 1.357 1.00 3.24 C ATOM 0 H LEU A 104 -6.548 4.407 3.354 1.00 1.25 H new ATOM 0 HA LEU A 104 -6.360 2.894 0.813 1.00 34.13 H new ATOM 0 HB2 LEU A 104 -6.757 1.946 3.680 1.00 53.24 H new ATOM 0 HB3 LEU A 104 -6.853 0.901 2.276 1.00 53.24 H new ATOM 0 HG LEU A 104 -4.397 2.410 3.232 1.00 70.51 H new ATOM 0 HD11 LEU A 104 -3.488 0.150 3.647 1.00 12.22 H new ATOM 0 HD12 LEU A 104 -4.954 0.459 4.607 1.00 12.22 H new ATOM 0 HD13 LEU A 104 -5.043 -0.560 3.151 1.00 12.22 H new ATOM 0 HD21 LEU A 104 -3.184 1.221 1.441 1.00 3.24 H new ATOM 0 HD22 LEU A 104 -4.724 0.556 0.847 1.00 3.24 H new ATOM 0 HD23 LEU A 104 -4.430 2.310 0.786 1.00 3.24 H new ATOM 1619 N LYS A 105 -8.789 3.116 0.404 1.00 25.05 N ATOM 1620 CA LYS A 105 -10.226 3.102 0.093 1.00 22.20 C ATOM 1621 C LYS A 105 -10.623 1.818 -0.659 1.00 41.23 C ATOM 1622 O LYS A 105 -9.775 1.129 -1.235 1.00 3.32 O ATOM 1623 CB LYS A 105 -10.607 4.324 -0.759 1.00 11.11 C ATOM 1624 CG LYS A 105 -10.328 5.674 -0.102 1.00 13.12 C ATOM 1625 CD LYS A 105 -10.747 6.825 -1.015 1.00 60.03 C ATOM 1626 CE LYS A 105 -10.362 8.186 -0.448 1.00 11.43 C ATOM 1627 NZ LYS A 105 -11.042 8.479 0.841 1.00 0.54 N ATOM 0 H LYS A 105 -8.187 3.203 -0.415 1.00 25.05 H new ATOM 0 HA LYS A 105 -10.764 3.136 1.040 1.00 22.20 H new ATOM 0 HB2 LYS A 105 -10.063 4.275 -1.702 1.00 11.11 H new ATOM 0 HB3 LYS A 105 -11.669 4.265 -1.000 1.00 11.11 H new ATOM 0 HG2 LYS A 105 -10.867 5.741 0.843 1.00 13.12 H new ATOM 0 HG3 LYS A 105 -9.266 5.757 0.130 1.00 13.12 H new ATOM 0 HD2 LYS A 105 -10.282 6.697 -1.993 1.00 60.03 H new ATOM 0 HD3 LYS A 105 -11.826 6.790 -1.168 1.00 60.03 H new ATOM 0 HE2 LYS A 105 -9.282 8.223 -0.302 1.00 11.43 H new ATOM 0 HE3 LYS A 105 -10.613 8.962 -1.172 1.00 11.43 H new ATOM 0 HZ1 LYS A 105 -11.164 9.507 0.943 1.00 0.54 H new ATOM 0 HZ2 LYS A 105 -11.973 8.016 0.855 1.00 0.54 H new ATOM 0 HZ3 LYS A 105 -10.465 8.119 1.628 1.00 0.54 H new ATOM 1641 N ASN A 106 -11.918 1.506 -0.654 1.00 72.51 N ATOM 1642 CA ASN A 106 -12.449 0.348 -1.391 1.00 61.10 C ATOM 1643 C ASN A 106 -12.776 0.714 -2.851 1.00 72.01 C ATOM 1644 O ASN A 106 -12.674 1.876 -3.253 1.00 31.11 O ATOM 1645 CB ASN A 106 -13.720 -0.177 -0.706 1.00 21.05 C ATOM 1646 CG ASN A 106 -13.502 -0.499 0.760 1.00 4.50 C ATOM 1647 OD1 ASN A 106 -13.697 0.346 1.627 1.00 51.50 O ATOM 1648 ND2 ASN A 106 -13.094 -1.717 1.050 1.00 1.43 N ATOM 0 H ASN A 106 -12.626 2.038 -0.147 1.00 72.51 H new ATOM 0 HA ASN A 106 -11.680 -0.425 -1.390 1.00 61.10 H new ATOM 0 HB2 ASN A 106 -14.511 0.567 -0.797 1.00 21.05 H new ATOM 0 HB3 ASN A 106 -14.064 -1.073 -1.224 1.00 21.05 H new ATOM 0 HD21 ASN A 106 -12.930 -1.982 2.021 1.00 1.43 H new ATOM 0 HD22 ASN A 106 -12.942 -2.395 0.303 1.00 1.43 H new ATOM 1655 N SER A 107 -13.214 -0.276 -3.632 1.00 0.42 N ATOM 1656 CA SER A 107 -13.651 -0.054 -5.029 1.00 44.14 C ATOM 1657 C SER A 107 -15.033 0.631 -5.096 1.00 33.51 C ATOM 1658 O SER A 107 -15.781 0.459 -6.061 1.00 24.12 O ATOM 1659 CB SER A 107 -13.704 -1.396 -5.783 1.00 54.54 C ATOM 1660 OG SER A 107 -14.177 -1.238 -7.115 1.00 24.34 O ATOM 0 H SER A 107 -13.279 -1.247 -3.327 1.00 0.42 H new ATOM 0 HA SER A 107 -12.924 0.608 -5.500 1.00 44.14 H new ATOM 0 HB2 SER A 107 -12.709 -1.841 -5.801 1.00 54.54 H new ATOM 0 HB3 SER A 107 -14.353 -2.088 -5.247 1.00 54.54 H new ATOM 0 HG SER A 107 -14.989 -0.690 -7.111 1.00 24.34 H new ATOM 1666 N GLN A 108 -15.353 1.429 -4.079 1.00 41.21 N ATOM 1667 CA GLN A 108 -16.660 2.090 -3.971 1.00 65.44 C ATOM 1668 C GLN A 108 -16.506 3.606 -3.766 1.00 64.51 C ATOM 1669 O GLN A 108 -17.250 4.404 -4.336 1.00 64.11 O ATOM 1670 CB GLN A 108 -17.446 1.494 -2.792 1.00 75.40 C ATOM 1671 CG GLN A 108 -17.674 -0.013 -2.890 1.00 41.21 C ATOM 1672 CD GLN A 108 -18.451 -0.561 -1.703 1.00 4.10 C ATOM 1673 OE1 GLN A 108 -19.674 -0.605 -1.715 1.00 62.13 O ATOM 1674 NE2 GLN A 108 -17.749 -0.986 -0.671 1.00 24.15 N ATOM 0 H GLN A 108 -14.719 1.637 -3.308 1.00 41.21 H new ATOM 0 HA GLN A 108 -17.200 1.923 -4.903 1.00 65.44 H new ATOM 0 HB2 GLN A 108 -16.911 1.710 -1.867 1.00 75.40 H new ATOM 0 HB3 GLN A 108 -18.413 1.993 -2.725 1.00 75.40 H new ATOM 0 HG2 GLN A 108 -18.215 -0.237 -3.809 1.00 41.21 H new ATOM 0 HG3 GLN A 108 -16.711 -0.520 -2.956 1.00 41.21 H new ATOM 0 HE21 GLN A 108 -16.730 -0.936 -0.692 1.00 24.15 H new ATOM 0 HE22 GLN A 108 -18.224 -1.365 0.148 1.00 24.15 H new ATOM 1683 N GLY A 109 -15.521 3.992 -2.961 1.00 5.41 N ATOM 1684 CA GLY A 109 -15.337 5.395 -2.597 1.00 64.25 C ATOM 1685 C GLY A 109 -15.109 5.569 -1.101 1.00 10.51 C ATOM 1686 O GLY A 109 -14.384 6.466 -0.668 1.00 54.31 O ATOM 0 H GLY A 109 -14.839 3.356 -2.549 1.00 5.41 H new ATOM 0 HA2 GLY A 109 -14.487 5.803 -3.144 1.00 64.25 H new ATOM 0 HA3 GLY A 109 -16.215 5.966 -2.899 1.00 64.25 H new ATOM 1690 N GLU A 110 -15.742 4.699 -0.315 1.00 52.41 N ATOM 1691 CA GLU A 110 -15.587 4.696 1.144 1.00 15.33 C ATOM 1692 C GLU A 110 -14.174 4.247 1.567 1.00 65.23 C ATOM 1693 O GLU A 110 -13.448 3.613 0.792 1.00 74.22 O ATOM 1694 CB GLU A 110 -16.663 3.801 1.780 1.00 61.10 C ATOM 1695 CG GLU A 110 -16.752 2.403 1.170 1.00 32.45 C ATOM 1696 CD GLU A 110 -17.935 1.604 1.695 1.00 51.13 C ATOM 1697 OE1 GLU A 110 -19.087 1.974 1.391 1.00 25.24 O ATOM 1698 OE2 GLU A 110 -17.722 0.606 2.413 1.00 54.03 O ATOM 0 H GLU A 110 -16.374 3.979 -0.666 1.00 52.41 H new ATOM 0 HA GLU A 110 -15.717 5.717 1.503 1.00 15.33 H new ATOM 0 HB2 GLU A 110 -16.459 3.708 2.847 1.00 61.10 H new ATOM 0 HB3 GLU A 110 -17.632 4.291 1.682 1.00 61.10 H new ATOM 0 HG2 GLU A 110 -16.830 2.489 0.086 1.00 32.45 H new ATOM 0 HG3 GLU A 110 -15.831 1.860 1.381 1.00 32.45 H new ATOM 1705 N GLU A 111 -13.799 4.568 2.806 1.00 1.04 N ATOM 1706 CA GLU A 111 -12.419 4.390 3.284 1.00 2.11 C ATOM 1707 C GLU A 111 -12.350 3.484 4.528 1.00 3.21 C ATOM 1708 O GLU A 111 -13.171 3.602 5.440 1.00 22.21 O ATOM 1709 CB GLU A 111 -11.835 5.772 3.598 1.00 4.33 C ATOM 1710 CG GLU A 111 -10.354 5.783 3.950 1.00 75.15 C ATOM 1711 CD GLU A 111 -9.842 7.191 4.192 1.00 0.33 C ATOM 1712 OE1 GLU A 111 -10.117 8.076 3.350 1.00 55.11 O ATOM 1713 OE2 GLU A 111 -9.189 7.429 5.228 1.00 31.54 O ATOM 0 H GLU A 111 -14.434 4.956 3.504 1.00 1.04 H new ATOM 0 HA GLU A 111 -11.838 3.897 2.504 1.00 2.11 H new ATOM 0 HB2 GLU A 111 -11.992 6.420 2.736 1.00 4.33 H new ATOM 0 HB3 GLU A 111 -12.393 6.205 4.428 1.00 4.33 H new ATOM 0 HG2 GLU A 111 -10.188 5.178 4.841 1.00 75.15 H new ATOM 0 HG3 GLU A 111 -9.785 5.323 3.142 1.00 75.15 H new ATOM 1720 N VAL A 112 -11.351 2.595 4.572 1.00 74.01 N ATOM 1721 CA VAL A 112 -11.229 1.620 5.669 1.00 71.52 C ATOM 1722 C VAL A 112 -9.982 1.834 6.552 1.00 3.25 C ATOM 1723 O VAL A 112 -10.018 1.555 7.754 1.00 20.21 O ATOM 1724 CB VAL A 112 -11.208 0.167 5.128 1.00 4.52 C ATOM 1725 CG1 VAL A 112 -12.554 -0.197 4.506 1.00 3.23 C ATOM 1726 CG2 VAL A 112 -10.074 -0.022 4.119 1.00 70.03 C ATOM 0 H VAL A 112 -10.618 2.528 3.866 1.00 74.01 H new ATOM 0 HA VAL A 112 -12.110 1.782 6.290 1.00 71.52 H new ATOM 0 HB VAL A 112 -11.028 -0.505 5.967 1.00 4.52 H new ATOM 0 HG11 VAL A 112 -12.517 -1.220 4.133 1.00 3.23 H new ATOM 0 HG12 VAL A 112 -13.337 -0.113 5.259 1.00 3.23 H new ATOM 0 HG13 VAL A 112 -12.769 0.482 3.681 1.00 3.23 H new ATOM 0 HG21 VAL A 112 -10.080 -1.049 3.754 1.00 70.03 H new ATOM 0 HG22 VAL A 112 -10.214 0.662 3.282 1.00 70.03 H new ATOM 0 HG23 VAL A 112 -9.119 0.186 4.602 1.00 70.03 H new ATOM 1736 N ALA A 113 -8.883 2.318 5.973 1.00 30.14 N ATOM 1737 CA ALA A 113 -7.624 2.446 6.725 1.00 63.00 C ATOM 1738 C ALA A 113 -6.761 3.622 6.248 1.00 34.43 C ATOM 1739 O ALA A 113 -6.942 4.139 5.144 1.00 42.32 O ATOM 1740 CB ALA A 113 -6.830 1.144 6.635 1.00 15.02 C ATOM 0 H ALA A 113 -8.833 2.625 5.002 1.00 30.14 H new ATOM 0 HA ALA A 113 -7.891 2.650 7.762 1.00 63.00 H new ATOM 0 HB1 ALA A 113 -5.900 1.246 7.194 1.00 15.02 H new ATOM 0 HB2 ALA A 113 -7.419 0.329 7.056 1.00 15.02 H new ATOM 0 HB3 ALA A 113 -6.604 0.927 5.591 1.00 15.02 H new ATOM 1746 N GLN A 114 -5.815 4.030 7.100 1.00 41.23 N ATOM 1747 CA GLN A 114 -4.881 5.120 6.783 1.00 22.33 C ATOM 1748 C GLN A 114 -3.700 5.139 7.776 1.00 43.35 C ATOM 1749 O GLN A 114 -3.898 4.991 8.986 1.00 55.34 O ATOM 1750 CB GLN A 114 -5.608 6.478 6.814 1.00 1.42 C ATOM 1751 CG GLN A 114 -6.134 6.877 8.194 1.00 13.22 C ATOM 1752 CD GLN A 114 -6.838 8.228 8.204 1.00 41.24 C ATOM 1753 OE1 GLN A 114 -6.790 8.961 9.189 1.00 43.50 O ATOM 1754 NE2 GLN A 114 -7.526 8.561 7.130 1.00 53.42 N ATOM 0 H GLN A 114 -5.674 3.619 8.023 1.00 41.23 H new ATOM 0 HA GLN A 114 -4.491 4.946 5.780 1.00 22.33 H new ATOM 0 HB2 GLN A 114 -4.925 7.251 6.460 1.00 1.42 H new ATOM 0 HB3 GLN A 114 -6.443 6.446 6.115 1.00 1.42 H new ATOM 0 HG2 GLN A 114 -6.826 6.112 8.546 1.00 13.22 H new ATOM 0 HG3 GLN A 114 -5.302 6.903 8.898 1.00 13.22 H new ATOM 0 HE21 GLN A 114 -7.550 7.935 6.325 1.00 53.42 H new ATOM 0 HE22 GLN A 114 -8.034 9.445 7.104 1.00 53.42 H new ATOM 1763 N ARG A 115 -2.476 5.312 7.272 1.00 62.24 N ATOM 1764 CA ARG A 115 -1.291 5.410 8.145 1.00 25.01 C ATOM 1765 C ARG A 115 -0.080 5.987 7.381 1.00 24.54 C ATOM 1766 O ARG A 115 -0.088 6.047 6.152 1.00 64.15 O ATOM 1767 CB ARG A 115 -0.949 4.038 8.758 1.00 40.13 C ATOM 1768 CG ARG A 115 -0.052 4.134 9.989 1.00 75.11 C ATOM 1769 CD ARG A 115 0.056 2.811 10.741 1.00 65.21 C ATOM 1770 NE ARG A 115 0.746 2.982 12.019 1.00 3.32 N ATOM 1771 CZ ARG A 115 0.479 2.309 13.104 1.00 3.02 C ATOM 1772 NH1 ARG A 115 -0.423 1.380 13.112 1.00 61.15 N ATOM 1773 NH2 ARG A 115 1.121 2.578 14.191 1.00 73.02 N ATOM 0 H ARG A 115 -2.274 5.387 6.275 1.00 62.24 H new ATOM 0 HA ARG A 115 -1.530 6.097 8.957 1.00 25.01 H new ATOM 0 HB2 ARG A 115 -1.874 3.528 9.029 1.00 40.13 H new ATOM 0 HB3 ARG A 115 -0.456 3.424 8.005 1.00 40.13 H new ATOM 0 HG2 ARG A 115 0.944 4.457 9.684 1.00 75.11 H new ATOM 0 HG3 ARG A 115 -0.443 4.898 10.660 1.00 75.11 H new ATOM 0 HD2 ARG A 115 -0.941 2.406 10.915 1.00 65.21 H new ATOM 0 HD3 ARG A 115 0.592 2.085 10.130 1.00 65.21 H new ATOM 0 HE ARG A 115 1.490 3.678 12.065 1.00 3.32 H new ATOM 0 HH11 ARG A 115 -0.939 1.163 12.260 1.00 61.15 H new ATOM 0 HH12 ARG A 115 -0.617 0.865 13.971 1.00 61.15 H new ATOM 0 HH21 ARG A 115 1.830 3.311 14.196 1.00 73.02 H new ATOM 0 HH22 ARG A 115 0.919 2.057 15.045 1.00 73.02 H new ATOM 1787 N SER A 116 0.957 6.410 8.113 1.00 2.22 N ATOM 1788 CA SER A 116 2.115 7.093 7.504 1.00 33.43 C ATOM 1789 C SER A 116 3.462 6.479 7.926 1.00 24.21 C ATOM 1790 O SER A 116 3.515 5.441 8.586 1.00 33.23 O ATOM 1791 CB SER A 116 2.095 8.575 7.887 1.00 30.21 C ATOM 1792 OG SER A 116 2.190 8.746 9.293 1.00 71.35 O ATOM 0 H SER A 116 1.023 6.294 9.124 1.00 2.22 H new ATOM 0 HA SER A 116 2.026 6.970 6.425 1.00 33.43 H new ATOM 0 HB2 SER A 116 2.923 9.090 7.399 1.00 30.21 H new ATOM 0 HB3 SER A 116 1.175 9.034 7.524 1.00 30.21 H new ATOM 0 HG SER A 116 2.393 9.683 9.496 1.00 71.35 H new ATOM 1798 N THR A 117 4.556 7.135 7.526 1.00 52.13 N ATOM 1799 CA THR A 117 5.919 6.681 7.855 1.00 5.20 C ATOM 1800 C THR A 117 6.348 7.095 9.269 1.00 20.51 C ATOM 1801 O THR A 117 6.276 8.269 9.640 1.00 23.35 O ATOM 1802 CB THR A 117 6.962 7.249 6.860 1.00 61.40 C ATOM 1803 OG1 THR A 117 6.811 8.672 6.749 1.00 22.20 O ATOM 1804 CG2 THR A 117 6.828 6.611 5.482 1.00 23.21 C ATOM 0 H THR A 117 4.527 7.989 6.969 1.00 52.13 H new ATOM 0 HA THR A 117 5.887 5.593 7.790 1.00 5.20 H new ATOM 0 HB THR A 117 7.953 7.013 7.248 1.00 61.40 H new ATOM 0 HG1 THR A 117 6.649 9.054 7.637 1.00 22.20 H new ATOM 0 HG21 THR A 117 7.576 7.034 4.811 1.00 23.21 H new ATOM 0 HG22 THR A 117 6.980 5.535 5.563 1.00 23.21 H new ATOM 0 HG23 THR A 117 5.832 6.807 5.085 1.00 23.21 H new ATOM 1812 N VAL A 118 6.812 6.122 10.048 1.00 13.21 N ATOM 1813 CA VAL A 118 7.375 6.391 11.373 1.00 42.11 C ATOM 1814 C VAL A 118 8.902 6.578 11.280 1.00 63.20 C ATOM 1815 O VAL A 118 9.649 5.608 11.124 1.00 40.42 O ATOM 1816 CB VAL A 118 7.051 5.245 12.368 1.00 25.43 C ATOM 1817 CG1 VAL A 118 7.577 5.569 13.767 1.00 62.14 C ATOM 1818 CG2 VAL A 118 5.548 4.967 12.399 1.00 33.14 C ATOM 0 H VAL A 118 6.810 5.136 9.786 1.00 13.21 H new ATOM 0 HA VAL A 118 6.919 7.309 11.744 1.00 42.11 H new ATOM 0 HB VAL A 118 7.556 4.343 12.023 1.00 25.43 H new ATOM 0 HG11 VAL A 118 7.337 4.750 14.445 1.00 62.14 H new ATOM 0 HG12 VAL A 118 8.658 5.702 13.727 1.00 62.14 H new ATOM 0 HG13 VAL A 118 7.112 6.486 14.127 1.00 62.14 H new ATOM 0 HG21 VAL A 118 5.342 4.160 13.102 1.00 33.14 H new ATOM 0 HG22 VAL A 118 5.018 5.866 12.713 1.00 33.14 H new ATOM 0 HG23 VAL A 118 5.211 4.676 11.404 1.00 33.14 H new ATOM 1828 N PHE A 119 9.357 7.829 11.344 1.00 52.04 N ATOM 1829 CA PHE A 119 10.789 8.135 11.251 1.00 72.41 C ATOM 1830 C PHE A 119 11.555 7.615 12.477 1.00 5.22 C ATOM 1831 O PHE A 119 11.465 8.180 13.568 1.00 12.30 O ATOM 1832 CB PHE A 119 11.004 9.647 11.086 1.00 73.11 C ATOM 1833 CG PHE A 119 10.472 10.188 9.782 1.00 41.13 C ATOM 1834 CD1 PHE A 119 11.257 10.174 8.637 1.00 31.25 C ATOM 1835 CD2 PHE A 119 9.185 10.702 9.698 1.00 61.33 C ATOM 1836 CE1 PHE A 119 10.774 10.665 7.440 1.00 0.12 C ATOM 1837 CE2 PHE A 119 8.698 11.193 8.502 1.00 43.12 C ATOM 1838 CZ PHE A 119 9.492 11.173 7.371 1.00 52.33 C ATOM 0 H PHE A 119 8.759 8.647 11.460 1.00 52.04 H new ATOM 0 HA PHE A 119 11.182 7.625 10.372 1.00 72.41 H new ATOM 0 HB2 PHE A 119 10.519 10.168 11.912 1.00 73.11 H new ATOM 0 HB3 PHE A 119 12.070 9.865 11.153 1.00 73.11 H new ATOM 0 HD1 PHE A 119 12.259 9.774 8.683 1.00 31.25 H new ATOM 0 HD2 PHE A 119 8.558 10.718 10.577 1.00 61.33 H new ATOM 0 HE1 PHE A 119 11.398 10.652 6.559 1.00 0.12 H new ATOM 0 HE2 PHE A 119 7.696 11.593 8.451 1.00 43.12 H new ATOM 0 HZ PHE A 119 9.110 11.554 6.435 1.00 52.33 H new ATOM 1848 N LYS A 120 12.301 6.532 12.282 1.00 62.23 N ATOM 1849 CA LYS A 120 13.025 5.870 13.370 1.00 62.24 C ATOM 1850 C LYS A 120 14.343 6.596 13.695 1.00 52.02 C ATOM 1851 O LYS A 120 15.320 6.511 12.945 1.00 33.10 O ATOM 1852 CB LYS A 120 13.288 4.404 12.991 1.00 64.30 C ATOM 1853 CG LYS A 120 12.011 3.626 12.671 1.00 71.14 C ATOM 1854 CD LYS A 120 12.294 2.194 12.222 1.00 74.55 C ATOM 1855 CE LYS A 120 11.004 1.446 11.887 1.00 3.02 C ATOM 1856 NZ LYS A 120 11.260 0.043 11.467 1.00 22.54 N ATOM 0 H LYS A 120 12.423 6.088 11.372 1.00 62.23 H new ATOM 0 HA LYS A 120 12.409 5.905 14.269 1.00 62.24 H new ATOM 0 HB2 LYS A 120 13.951 4.372 12.127 1.00 64.30 H new ATOM 0 HB3 LYS A 120 13.810 3.911 13.811 1.00 64.30 H new ATOM 0 HG2 LYS A 120 11.371 3.607 13.553 1.00 71.14 H new ATOM 0 HG3 LYS A 120 11.459 4.146 11.888 1.00 71.14 H new ATOM 0 HD2 LYS A 120 12.945 2.208 11.348 1.00 74.55 H new ATOM 0 HD3 LYS A 120 12.829 1.664 13.010 1.00 74.55 H new ATOM 0 HE2 LYS A 120 10.348 1.449 12.758 1.00 3.02 H new ATOM 0 HE3 LYS A 120 10.478 1.972 11.090 1.00 3.02 H new ATOM 0 HZ1 LYS A 120 10.380 -0.377 11.105 1.00 22.54 H new ATOM 0 HZ2 LYS A 120 11.982 0.031 10.719 1.00 22.54 H new ATOM 0 HZ3 LYS A 120 11.597 -0.508 12.282 1.00 22.54 H new ATOM 1870 N THR A 121 14.354 7.313 14.819 1.00 14.30 N ATOM 1871 CA THR A 121 15.529 8.084 15.255 1.00 24.11 C ATOM 1872 C THR A 121 16.641 7.166 15.781 1.00 33.13 C ATOM 1873 O THR A 121 16.513 6.577 16.857 1.00 54.14 O ATOM 1874 CB THR A 121 15.156 9.097 16.369 1.00 0.24 C ATOM 1875 OG1 THR A 121 14.065 9.929 15.940 1.00 32.50 O ATOM 1876 CG2 THR A 121 16.348 9.977 16.742 1.00 12.23 C ATOM 0 H THR A 121 13.557 7.379 15.452 1.00 14.30 H new ATOM 0 HA THR A 121 15.890 8.622 14.378 1.00 24.11 H new ATOM 0 HB THR A 121 14.858 8.526 17.248 1.00 0.24 H new ATOM 0 HG1 THR A 121 13.837 10.563 16.652 1.00 32.50 H new ATOM 0 HG21 THR A 121 16.053 10.676 17.525 1.00 12.23 H new ATOM 0 HG22 THR A 121 17.164 9.351 17.103 1.00 12.23 H new ATOM 0 HG23 THR A 121 16.678 10.533 15.865 1.00 12.23 H new ATOM 1884 N THR A 122 17.725 7.040 15.018 1.00 60.31 N ATOM 1885 CA THR A 122 18.869 6.192 15.412 1.00 61.41 C ATOM 1886 C THR A 122 20.184 6.687 14.783 1.00 34.04 C ATOM 1887 O THR A 122 21.006 7.292 15.507 1.00 37.91 O ATOM 1888 CB THR A 122 18.648 4.704 15.025 1.00 10.11 C ATOM 1889 OG1 THR A 122 17.483 4.182 15.686 1.00 53.35 O ATOM 1890 CG2 THR A 122 19.860 3.844 15.388 1.00 63.25 C ATOM 1891 OXT THR A 122 20.385 6.481 13.563 1.00 37.91 O ATOM 0 H THR A 122 17.844 7.511 14.121 1.00 60.31 H new ATOM 0 HA THR A 122 18.942 6.265 16.497 1.00 61.41 H new ATOM 0 HB THR A 122 18.506 4.667 13.945 1.00 10.11 H new ATOM 0 HG1 THR A 122 17.102 4.871 16.269 1.00 53.35 H new ATOM 0 HG21 THR A 122 19.670 2.809 15.103 1.00 63.25 H new ATOM 0 HG22 THR A 122 20.739 4.211 14.858 1.00 63.25 H new ATOM 0 HG23 THR A 122 20.036 3.898 16.462 1.00 63.25 H new TER 1899 THR A 122