USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 767 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 102 THR OG1 : rot -66:sc= 0.39 USER MOD Set 1.2: A 111 ASN : amide:sc= -3.16! C(o=-2.8!,f=-1.5!) USER MOD Set 1.3: A 113 MET CE :methyl -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 ASN : amide:sc= -3.18 K(o=-6.3,f=-0.69) USER MOD Set 2.2: A 105 ASN : amide:sc= -3.11! K(o=-6.3!,f=-0.69) USER MOD Set 3.1: A 73 THR OG1 : rot -76:sc= -0.354 USER MOD Set 3.2: A 75 THR OG1 : rot -36:sc= 0.54 USER MOD Set 4.1: A 22 MET CE :methyl 176:sc= -0.697 (180deg=-0.82) USER MOD Set 4.2: A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 12 GLN : amide:sc= -11.8! C(o=-22!,f=-19!) USER MOD Set 5.2: A 14 ASN : amide:sc= -10.1! C(o=-22!,f=-18!) USER MOD Single : A 4 SER OG : rot 26:sc= 0.233 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= -1.9 (180deg=-2.04) USER MOD Single : A 7 TYR OH : rot -136:sc= 0.556 USER MOD Single : A 8 GLN : amide:sc= -4.64! C(o=-4.6!,f=-3.8!) USER MOD Single : A 10 GLN : amide:sc= -0.886 X(o=-0.89,f=-0.81) USER MOD Single : A 11 SER OG : rot -12:sc= 0.86 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= -1.96! (180deg=-2.08!) USER MOD Single : A 30 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.15) USER MOD Single : A 31 LYS NZ :NH3+ 161:sc= -0.0783 (180deg=-0.409) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -3:sc= -0.4 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= -1.89 (180deg=-2.12) USER MOD Single : A 47 LYS NZ :NH3+ -165:sc= 0.0732 (180deg=-0.0804) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0138) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.0885 X(o=-0.089,f=-0.00072) USER MOD Single : A 61 ASN : amide:sc= -1.67 K(o=-1.7,f=-1.1) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 69 CYS SG : rot 158:sc= -0.455 USER MOD Single : A 78 LYS NZ :NH3+ -124:sc= 1.22 (180deg=-0.716) USER MOD Single : A 80 LYS NZ :NH3+ 166:sc= -0.0311 (180deg=-0.276) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= -1.48 (180deg=-3.82!) USER MOD Single : A 85 MET CE :methyl -142:sc= -0.585 (180deg=-3.87!) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= -0.0843 (180deg=-0.453) USER MOD Single : A 91 MET CE :methyl -166:sc= -0.602 (180deg=-1.31) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -135:sc= -0.165 (180deg=-0.681) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 64:sc= 0.424 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 78:sc= 0.517 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 155:sc= 0.459 USER MOD Single : A 121 LYS NZ :NH3+ 177:sc= -0.868 (180deg=-0.922) USER MOD Single : A 124 SER OG : rot -49:sc= 0.842 USER MOD Single : A 125 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 52 N SER A 4 11.464 8.694 -5.253 1.00 0.64 N ATOM 53 CA SER A 4 10.780 8.281 -6.472 1.00 0.56 C ATOM 54 C SER A 4 11.503 7.113 -7.133 1.00 0.52 C ATOM 55 O SER A 4 12.714 7.163 -7.350 1.00 0.75 O ATOM 56 CB SER A 4 10.679 9.453 -7.448 1.00 0.69 C ATOM 57 OG SER A 4 11.963 9.943 -7.794 1.00 1.53 O ATOM 0 HA SER A 4 9.775 7.956 -6.202 1.00 0.56 H new ATOM 0 HB2 SER A 4 10.153 9.136 -8.348 1.00 0.69 H new ATOM 0 HB3 SER A 4 10.090 10.253 -7.000 1.00 0.69 H new ATOM 0 HG SER A 4 12.624 9.225 -7.699 1.00 1.53 H new ATOM 63 N GLY A 5 10.751 6.063 -7.449 1.00 0.43 N ATOM 64 CA GLY A 5 11.338 4.895 -8.081 1.00 0.45 C ATOM 65 C GLY A 5 10.305 3.844 -8.435 1.00 0.40 C ATOM 66 O GLY A 5 9.159 3.910 -7.988 1.00 0.54 O ATOM 0 H GLY A 5 9.747 6.000 -7.279 1.00 0.43 H new ATOM 0 HA2 GLY A 5 11.864 5.201 -8.985 1.00 0.45 H new ATOM 0 HA3 GLY A 5 12.080 4.459 -7.412 1.00 0.45 H new ATOM 70 N LYS A 6 10.713 2.868 -9.241 1.00 0.36 N ATOM 71 CA LYS A 6 9.821 1.793 -9.660 1.00 0.35 C ATOM 72 C LYS A 6 10.187 0.489 -8.957 1.00 0.30 C ATOM 73 O LYS A 6 11.296 -0.023 -9.116 1.00 0.36 O ATOM 74 CB LYS A 6 9.888 1.620 -11.181 1.00 0.47 C ATOM 75 CG LYS A 6 8.795 0.730 -11.754 1.00 1.02 C ATOM 76 CD LYS A 6 9.162 -0.743 -11.664 1.00 1.43 C ATOM 77 CE LYS A 6 8.152 -1.613 -12.391 1.00 1.75 C ATOM 78 NZ LYS A 6 6.767 -1.390 -11.892 1.00 2.38 N ATOM 0 H LYS A 6 11.659 2.800 -9.618 1.00 0.36 H new ATOM 0 HA LYS A 6 8.801 2.056 -9.381 1.00 0.35 H new ATOM 0 HB2 LYS A 6 9.826 2.602 -11.651 1.00 0.47 H new ATOM 0 HB3 LYS A 6 10.859 1.201 -11.446 1.00 0.47 H new ATOM 0 HG2 LYS A 6 7.863 0.906 -11.216 1.00 1.02 H new ATOM 0 HG3 LYS A 6 8.617 0.997 -12.796 1.00 1.02 H new ATOM 0 HD2 LYS A 6 10.153 -0.899 -12.091 1.00 1.43 H new ATOM 0 HD3 LYS A 6 9.215 -1.043 -10.617 1.00 1.43 H new ATOM 0 HE2 LYS A 6 8.192 -1.400 -13.459 1.00 1.75 H new ATOM 0 HE3 LYS A 6 8.419 -2.662 -12.265 1.00 1.75 H new ATOM 0 HZ1 LYS A 6 6.099 -1.951 -12.458 1.00 2.38 H new ATOM 0 HZ2 LYS A 6 6.706 -1.681 -10.895 1.00 2.38 H new ATOM 0 HZ3 LYS A 6 6.527 -0.381 -11.973 1.00 2.38 H new ATOM 92 N TYR A 7 9.247 -0.042 -8.180 1.00 0.30 N ATOM 93 CA TYR A 7 9.466 -1.286 -7.450 1.00 0.29 C ATOM 94 C TYR A 7 8.460 -2.349 -7.880 1.00 0.30 C ATOM 95 O TYR A 7 7.340 -2.031 -8.280 1.00 0.42 O ATOM 96 CB TYR A 7 9.363 -1.026 -5.945 1.00 0.34 C ATOM 97 CG TYR A 7 9.935 0.312 -5.534 1.00 0.49 C ATOM 98 CD1 TYR A 7 11.262 0.634 -5.797 1.00 0.70 C ATOM 99 CD2 TYR A 7 9.152 1.250 -4.873 1.00 0.77 C ATOM 100 CE1 TYR A 7 11.789 1.852 -5.411 1.00 0.89 C ATOM 101 CE2 TYR A 7 9.673 2.468 -4.482 1.00 0.93 C ATOM 102 CZ TYR A 7 10.984 2.783 -4.807 1.00 0.91 C ATOM 103 OH TYR A 7 11.514 3.975 -4.365 1.00 1.13 O ATOM 0 H TYR A 7 8.325 0.371 -8.040 1.00 0.30 H new ATOM 0 HA TYR A 7 10.465 -1.657 -7.679 1.00 0.29 H new ATOM 0 HB2 TYR A 7 8.316 -1.075 -5.645 1.00 0.34 H new ATOM 0 HB3 TYR A 7 9.886 -1.818 -5.409 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.890 -0.079 -6.311 1.00 0.70 H new ATOM 0 HD2 TYR A 7 8.118 1.023 -4.661 1.00 0.77 H new ATOM 0 HE1 TYR A 7 12.832 2.070 -5.585 1.00 0.89 H new ATOM 0 HE2 TYR A 7 9.065 3.168 -3.928 1.00 0.93 H new ATOM 0 HH TYR A 7 11.162 4.179 -3.473 1.00 1.13 H new ATOM 113 N GLN A 8 8.865 -3.614 -7.798 1.00 0.31 N ATOM 114 CA GLN A 8 8.006 -4.721 -8.192 1.00 0.35 C ATOM 115 C GLN A 8 7.884 -5.739 -7.067 1.00 0.35 C ATOM 116 O GLN A 8 8.887 -6.185 -6.511 1.00 0.38 O ATOM 117 CB GLN A 8 8.563 -5.398 -9.446 1.00 0.44 C ATOM 118 CG GLN A 8 7.736 -6.576 -9.935 1.00 0.41 C ATOM 119 CD GLN A 8 6.306 -6.198 -10.266 1.00 0.92 C ATOM 120 OE1 GLN A 8 5.395 -7.019 -10.161 1.00 1.39 O ATOM 121 NE2 GLN A 8 6.101 -4.952 -10.675 1.00 1.23 N ATOM 0 H GLN A 8 9.786 -3.896 -7.461 1.00 0.31 H new ATOM 0 HA GLN A 8 7.014 -4.323 -8.408 1.00 0.35 H new ATOM 0 HB2 GLN A 8 8.631 -4.659 -10.245 1.00 0.44 H new ATOM 0 HB3 GLN A 8 9.577 -5.740 -9.241 1.00 0.44 H new ATOM 0 HG2 GLN A 8 8.208 -7.002 -10.821 1.00 0.41 H new ATOM 0 HG3 GLN A 8 7.733 -7.353 -9.171 1.00 0.41 H new ATOM 0 HE21 GLN A 8 6.885 -4.304 -10.748 1.00 1.23 H new ATOM 0 HE22 GLN A 8 5.159 -4.643 -10.916 1.00 1.23 H new ATOM 128 N VAL A 9 6.651 -6.109 -6.745 1.00 0.40 N ATOM 129 CA VAL A 9 6.396 -7.076 -5.688 1.00 0.45 C ATOM 130 C VAL A 9 6.870 -8.465 -6.105 1.00 0.52 C ATOM 131 O VAL A 9 6.643 -8.893 -7.237 1.00 0.67 O ATOM 132 CB VAL A 9 4.896 -7.128 -5.344 1.00 0.56 C ATOM 133 CG1 VAL A 9 4.603 -8.246 -4.354 1.00 1.18 C ATOM 134 CG2 VAL A 9 4.430 -5.786 -4.797 1.00 1.24 C ATOM 0 H VAL A 9 5.812 -5.753 -7.202 1.00 0.40 H new ATOM 0 HA VAL A 9 6.951 -6.758 -4.805 1.00 0.45 H new ATOM 0 HB VAL A 9 4.343 -7.338 -6.259 1.00 0.56 H new ATOM 0 HG11 VAL A 9 3.537 -8.261 -4.128 1.00 1.18 H new ATOM 0 HG12 VAL A 9 4.896 -9.202 -4.788 1.00 1.18 H new ATOM 0 HG13 VAL A 9 5.166 -8.076 -3.436 1.00 1.18 H new ATOM 0 HG21 VAL A 9 3.368 -5.839 -4.559 1.00 1.24 H new ATOM 0 HG22 VAL A 9 4.993 -5.546 -3.895 1.00 1.24 H new ATOM 0 HG23 VAL A 9 4.596 -5.011 -5.545 1.00 1.24 H new ATOM 138 N GLN A 10 7.529 -9.163 -5.187 1.00 0.50 N ATOM 139 CA GLN A 10 8.044 -10.496 -5.467 1.00 0.61 C ATOM 140 C GLN A 10 7.253 -11.565 -4.717 1.00 0.72 C ATOM 141 O GLN A 10 6.929 -12.613 -5.275 1.00 1.01 O ATOM 142 CB GLN A 10 9.524 -10.582 -5.091 1.00 0.71 C ATOM 143 CG GLN A 10 10.384 -9.505 -5.738 1.00 0.90 C ATOM 144 CD GLN A 10 11.857 -9.664 -5.416 1.00 1.52 C ATOM 145 OE1 GLN A 10 12.349 -9.131 -4.421 1.00 2.20 O ATOM 146 NE2 GLN A 10 12.571 -10.400 -6.261 1.00 2.11 N ATOM 0 H GLN A 10 7.719 -8.827 -4.243 1.00 0.50 H new ATOM 0 HA GLN A 10 7.934 -10.679 -6.536 1.00 0.61 H new ATOM 0 HB2 GLN A 10 9.619 -10.508 -4.008 1.00 0.71 H new ATOM 0 HB3 GLN A 10 9.906 -11.561 -5.379 1.00 0.71 H new ATOM 0 HG2 GLN A 10 10.247 -9.536 -6.819 1.00 0.90 H new ATOM 0 HG3 GLN A 10 10.046 -8.525 -5.402 1.00 0.90 H new ATOM 0 HE21 GLN A 10 12.122 -10.823 -7.073 1.00 2.11 H new ATOM 0 HE22 GLN A 10 13.568 -10.542 -6.097 1.00 2.11 H new ATOM 153 N SER A 11 6.939 -11.293 -3.451 1.00 0.56 N ATOM 154 CA SER A 11 6.192 -12.243 -2.629 1.00 0.70 C ATOM 155 C SER A 11 5.567 -11.561 -1.416 1.00 0.54 C ATOM 156 O SER A 11 5.952 -10.454 -1.042 1.00 0.54 O ATOM 157 CB SER A 11 7.107 -13.377 -2.163 1.00 0.97 C ATOM 158 OG SER A 11 7.611 -14.118 -3.262 1.00 1.72 O ATOM 0 H SER A 11 7.189 -10.427 -2.974 1.00 0.56 H new ATOM 0 HA SER A 11 5.390 -12.651 -3.245 1.00 0.70 H new ATOM 0 HB2 SER A 11 7.937 -12.965 -1.589 1.00 0.97 H new ATOM 0 HB3 SER A 11 6.556 -14.041 -1.496 1.00 0.97 H new ATOM 0 HG SER A 11 7.122 -13.872 -4.075 1.00 1.72 H new ATOM 164 N GLN A 12 4.597 -12.239 -0.808 1.00 0.56 N ATOM 165 CA GLN A 12 3.907 -11.718 0.368 1.00 0.50 C ATOM 166 C GLN A 12 3.536 -12.860 1.313 1.00 0.46 C ATOM 167 O GLN A 12 3.000 -13.880 0.880 1.00 0.59 O ATOM 168 CB GLN A 12 2.645 -10.960 -0.060 1.00 0.70 C ATOM 169 CG GLN A 12 2.209 -9.874 0.913 1.00 0.85 C ATOM 170 CD GLN A 12 1.809 -10.417 2.271 1.00 0.99 C ATOM 171 OE1 GLN A 12 1.317 -11.535 2.376 1.00 2.01 O ATOM 172 NE2 GLN A 12 2.015 -9.621 3.316 1.00 0.82 N ATOM 0 H GLN A 12 4.270 -13.156 -1.113 1.00 0.56 H new ATOM 0 HA GLN A 12 4.573 -11.033 0.892 1.00 0.50 H new ATOM 0 HB2 GLN A 12 2.820 -10.508 -1.037 1.00 0.70 H new ATOM 0 HB3 GLN A 12 1.830 -11.673 -0.180 1.00 0.70 H new ATOM 0 HG2 GLN A 12 3.023 -9.160 1.039 1.00 0.85 H new ATOM 0 HG3 GLN A 12 1.369 -9.327 0.485 1.00 0.85 H new ATOM 0 HE21 GLN A 12 2.427 -8.698 3.181 1.00 0.82 H new ATOM 0 HE22 GLN A 12 1.761 -9.933 4.253 1.00 0.82 H new ATOM 179 N GLU A 13 3.816 -12.685 2.602 1.00 0.47 N ATOM 180 CA GLU A 13 3.500 -13.711 3.592 1.00 0.52 C ATOM 181 C GLU A 13 2.141 -13.441 4.233 1.00 0.45 C ATOM 182 O GLU A 13 1.903 -12.350 4.746 1.00 0.47 O ATOM 183 CB GLU A 13 4.591 -13.775 4.668 1.00 0.71 C ATOM 184 CG GLU A 13 4.890 -12.435 5.324 1.00 1.16 C ATOM 185 CD GLU A 13 6.047 -12.511 6.301 1.00 1.72 C ATOM 186 OE1 GLU A 13 7.209 -12.412 5.856 1.00 2.39 O ATOM 187 OE2 GLU A 13 5.790 -12.670 7.514 1.00 2.07 O ATOM 0 H GLU A 13 4.258 -11.849 2.984 1.00 0.47 H new ATOM 0 HA GLU A 13 3.457 -14.674 3.082 1.00 0.52 H new ATOM 0 HB2 GLU A 13 4.288 -14.485 5.437 1.00 0.71 H new ATOM 0 HB3 GLU A 13 5.507 -14.162 4.220 1.00 0.71 H new ATOM 0 HG2 GLU A 13 5.118 -11.700 4.553 1.00 1.16 H new ATOM 0 HG3 GLU A 13 4.000 -12.083 5.846 1.00 1.16 H new ATOM 194 N ASN A 14 1.269 -14.455 4.198 1.00 0.47 N ATOM 195 CA ASN A 14 -0.088 -14.373 4.757 1.00 0.52 C ATOM 196 C ASN A 14 -1.036 -13.655 3.798 1.00 0.56 C ATOM 197 O ASN A 14 -0.626 -12.774 3.050 1.00 0.92 O ATOM 198 CB ASN A 14 -0.093 -13.688 6.134 1.00 0.62 C ATOM 199 CG ASN A 14 -0.588 -12.249 6.102 1.00 1.26 C ATOM 200 OD1 ASN A 14 -0.325 -11.496 5.165 1.00 1.88 O ATOM 201 ND2 ASN A 14 -1.310 -11.859 7.140 1.00 1.78 N ATOM 0 H ASN A 14 1.484 -15.360 3.780 1.00 0.47 H new ATOM 0 HA ASN A 14 -0.444 -15.395 4.891 1.00 0.52 H new ATOM 0 HB2 ASN A 14 -0.721 -14.264 6.814 1.00 0.62 H new ATOM 0 HB3 ASN A 14 0.918 -13.706 6.542 1.00 0.62 H new ATOM 0 HD21 ASN A 14 -1.669 -10.905 7.182 1.00 1.78 H new ATOM 0 HD22 ASN A 14 -1.507 -12.512 7.898 1.00 1.78 H new ATOM 206 N PHE A 15 -2.307 -14.047 3.815 1.00 0.52 N ATOM 207 CA PHE A 15 -3.301 -13.430 2.949 1.00 0.59 C ATOM 208 C PHE A 15 -4.719 -13.810 3.365 1.00 0.59 C ATOM 209 O PHE A 15 -5.604 -12.959 3.434 1.00 0.66 O ATOM 210 CB PHE A 15 -3.056 -13.855 1.504 1.00 0.73 C ATOM 211 CG PHE A 15 -2.466 -12.774 0.643 1.00 1.40 C ATOM 212 CD1 PHE A 15 -3.147 -11.586 0.434 1.00 1.85 C ATOM 213 CD2 PHE A 15 -1.232 -12.950 0.040 1.00 2.40 C ATOM 214 CE1 PHE A 15 -2.607 -10.593 -0.362 1.00 2.66 C ATOM 215 CE2 PHE A 15 -0.686 -11.961 -0.756 1.00 3.26 C ATOM 216 CZ PHE A 15 -1.375 -10.781 -0.956 1.00 3.24 C ATOM 0 H PHE A 15 -2.670 -14.786 4.417 1.00 0.52 H new ATOM 0 HA PHE A 15 -3.203 -12.348 3.039 1.00 0.59 H new ATOM 0 HB2 PHE A 15 -2.388 -14.716 1.497 1.00 0.73 H new ATOM 0 HB3 PHE A 15 -4.000 -14.180 1.066 1.00 0.73 H new ATOM 0 HD1 PHE A 15 -4.110 -11.434 0.898 1.00 1.85 H new ATOM 0 HD2 PHE A 15 -0.690 -13.871 0.194 1.00 2.40 H new ATOM 0 HE1 PHE A 15 -3.148 -9.672 -0.519 1.00 2.66 H new ATOM 0 HE2 PHE A 15 0.277 -12.111 -1.221 1.00 3.26 H new ATOM 0 HZ PHE A 15 -0.950 -10.006 -1.577 1.00 3.24 H new ATOM 226 N GLU A 16 -4.928 -15.093 3.643 1.00 0.65 N ATOM 227 CA GLU A 16 -6.244 -15.586 4.035 1.00 0.72 C ATOM 228 C GLU A 16 -6.723 -14.970 5.357 1.00 0.62 C ATOM 229 O GLU A 16 -7.844 -14.470 5.427 1.00 0.68 O ATOM 230 CB GLU A 16 -6.235 -17.115 4.133 1.00 0.86 C ATOM 231 CG GLU A 16 -5.791 -17.801 2.851 1.00 1.03 C ATOM 232 CD GLU A 16 -6.701 -17.490 1.677 1.00 1.53 C ATOM 233 OE1 GLU A 16 -6.444 -16.489 0.978 1.00 1.96 O ATOM 234 OE2 GLU A 16 -7.670 -18.247 1.461 1.00 1.92 O ATOM 0 H GLU A 16 -4.203 -15.810 3.604 1.00 0.65 H new ATOM 0 HA GLU A 16 -6.947 -15.281 3.260 1.00 0.72 H new ATOM 0 HB2 GLU A 16 -5.573 -17.415 4.945 1.00 0.86 H new ATOM 0 HB3 GLU A 16 -7.235 -17.461 4.393 1.00 0.86 H new ATOM 0 HG2 GLU A 16 -4.774 -17.490 2.610 1.00 1.03 H new ATOM 0 HG3 GLU A 16 -5.765 -18.879 3.010 1.00 1.03 H new ATOM 241 N PRO A 17 -5.893 -14.981 6.425 1.00 0.54 N ATOM 242 CA PRO A 17 -6.291 -14.425 7.726 1.00 0.52 C ATOM 243 C PRO A 17 -6.393 -12.901 7.709 1.00 0.45 C ATOM 244 O PRO A 17 -7.322 -12.328 8.276 1.00 0.50 O ATOM 245 CB PRO A 17 -5.168 -14.870 8.678 1.00 0.59 C ATOM 246 CG PRO A 17 -4.364 -15.873 7.915 1.00 0.72 C ATOM 247 CD PRO A 17 -4.525 -15.517 6.467 1.00 0.59 C ATOM 0 HA PRO A 17 -7.281 -14.775 8.020 1.00 0.52 H new ATOM 0 HB2 PRO A 17 -4.552 -14.023 8.980 1.00 0.59 H new ATOM 0 HB3 PRO A 17 -5.577 -15.307 9.589 1.00 0.59 H new ATOM 0 HG2 PRO A 17 -3.315 -15.839 8.211 1.00 0.72 H new ATOM 0 HG3 PRO A 17 -4.717 -16.886 8.109 1.00 0.72 H new ATOM 0 HD2 PRO A 17 -3.790 -14.780 6.146 1.00 0.59 H new ATOM 0 HD3 PRO A 17 -4.409 -16.386 5.819 1.00 0.59 H new ATOM 255 N PHE A 18 -5.436 -12.254 7.051 1.00 0.44 N ATOM 256 CA PHE A 18 -5.417 -10.797 6.957 1.00 0.54 C ATOM 257 C PHE A 18 -6.679 -10.275 6.276 1.00 0.62 C ATOM 258 O PHE A 18 -7.363 -9.396 6.803 1.00 0.68 O ATOM 259 CB PHE A 18 -4.176 -10.339 6.183 1.00 0.65 C ATOM 260 CG PHE A 18 -4.029 -8.845 6.101 1.00 0.90 C ATOM 261 CD1 PHE A 18 -3.501 -8.129 7.165 1.00 1.08 C ATOM 262 CD2 PHE A 18 -4.421 -8.157 4.965 1.00 1.08 C ATOM 263 CE1 PHE A 18 -3.367 -6.754 7.094 1.00 1.36 C ATOM 264 CE2 PHE A 18 -4.289 -6.783 4.890 1.00 1.35 C ATOM 265 CZ PHE A 18 -3.754 -6.082 5.947 1.00 1.46 C ATOM 0 H PHE A 18 -4.662 -12.716 6.574 1.00 0.44 H new ATOM 0 HA PHE A 18 -5.383 -10.390 7.968 1.00 0.54 H new ATOM 0 HB2 PHE A 18 -3.288 -10.756 6.658 1.00 0.65 H new ATOM 0 HB3 PHE A 18 -4.218 -10.747 5.173 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -3.191 -8.651 8.059 1.00 1.08 H new ATOM 0 HD2 PHE A 18 -4.835 -8.700 4.128 1.00 1.08 H new ATOM 0 HE1 PHE A 18 -2.961 -6.206 7.931 1.00 1.36 H new ATOM 0 HE2 PHE A 18 -4.606 -6.259 4.001 1.00 1.35 H new ATOM 0 HZ PHE A 18 -3.636 -5.010 5.882 1.00 1.46 H new ATOM 275 N MET A 19 -6.979 -10.820 5.103 1.00 0.68 N ATOM 276 CA MET A 19 -8.154 -10.414 4.340 1.00 0.83 C ATOM 277 C MET A 19 -9.447 -10.773 5.066 1.00 0.81 C ATOM 278 O MET A 19 -10.411 -10.009 5.037 1.00 0.90 O ATOM 279 CB MET A 19 -8.125 -11.065 2.964 1.00 0.96 C ATOM 280 CG MET A 19 -6.948 -10.622 2.110 1.00 1.91 C ATOM 281 SD MET A 19 -6.990 -8.859 1.734 1.00 3.37 S ATOM 282 CE MET A 19 -5.650 -8.732 0.552 1.00 4.48 C ATOM 0 H MET A 19 -6.421 -11.548 4.657 1.00 0.68 H new ATOM 0 HA MET A 19 -8.128 -9.330 4.230 1.00 0.83 H new ATOM 0 HB2 MET A 19 -8.090 -12.148 3.083 1.00 0.96 H new ATOM 0 HB3 MET A 19 -9.052 -10.832 2.440 1.00 0.96 H new ATOM 0 HG2 MET A 19 -6.019 -10.857 2.629 1.00 1.91 H new ATOM 0 HG3 MET A 19 -6.946 -11.189 1.179 1.00 1.91 H new ATOM 0 HE1 MET A 19 -5.551 -7.697 0.225 1.00 4.48 H new ATOM 0 HE2 MET A 19 -4.720 -9.056 1.020 1.00 4.48 H new ATOM 0 HE3 MET A 19 -5.863 -9.366 -0.309 1.00 4.48 H new ATOM 292 N LYS A 20 -9.468 -11.935 5.713 1.00 0.73 N ATOM 293 CA LYS A 20 -10.654 -12.377 6.444 1.00 0.79 C ATOM 294 C LYS A 20 -11.033 -11.357 7.507 1.00 0.72 C ATOM 295 O LYS A 20 -12.206 -11.022 7.678 1.00 0.79 O ATOM 296 CB LYS A 20 -10.392 -13.726 7.110 1.00 0.85 C ATOM 297 CG LYS A 20 -11.132 -14.887 6.462 1.00 1.02 C ATOM 298 CD LYS A 20 -10.834 -14.996 4.975 1.00 1.37 C ATOM 299 CE LYS A 20 -11.627 -16.120 4.329 1.00 1.63 C ATOM 300 NZ LYS A 20 -11.396 -16.190 2.862 1.00 2.27 N ATOM 0 H LYS A 20 -8.683 -12.585 5.747 1.00 0.73 H new ATOM 0 HA LYS A 20 -11.475 -12.477 5.734 1.00 0.79 H new ATOM 0 HB2 LYS A 20 -9.322 -13.931 7.085 1.00 0.85 H new ATOM 0 HB3 LYS A 20 -10.680 -13.664 8.159 1.00 0.85 H new ATOM 0 HG2 LYS A 20 -10.851 -15.817 6.957 1.00 1.02 H new ATOM 0 HG3 LYS A 20 -12.205 -14.760 6.608 1.00 1.02 H new ATOM 0 HD2 LYS A 20 -11.073 -14.052 4.485 1.00 1.37 H new ATOM 0 HD3 LYS A 20 -9.768 -15.170 4.828 1.00 1.37 H new ATOM 0 HE2 LYS A 20 -11.349 -17.070 4.786 1.00 1.63 H new ATOM 0 HE3 LYS A 20 -12.689 -15.972 4.522 1.00 1.63 H new ATOM 0 HZ1 LYS A 20 -12.030 -16.901 2.444 1.00 2.27 H new ATOM 0 HZ2 LYS A 20 -11.589 -15.261 2.436 1.00 2.27 H new ATOM 0 HZ3 LYS A 20 -10.408 -16.457 2.679 1.00 2.27 H new ATOM 314 N ALA A 21 -10.025 -10.869 8.216 1.00 0.64 N ATOM 315 CA ALA A 21 -10.232 -9.876 9.263 1.00 0.64 C ATOM 316 C ALA A 21 -10.658 -8.539 8.665 1.00 0.65 C ATOM 317 O ALA A 21 -11.181 -7.670 9.361 1.00 0.85 O ATOM 318 CB ALA A 21 -8.966 -9.706 10.090 1.00 0.67 C ATOM 0 H ALA A 21 -9.052 -11.145 8.085 1.00 0.64 H new ATOM 0 HA ALA A 21 -11.031 -10.229 9.915 1.00 0.64 H new ATOM 0 HB1 ALA A 21 -9.137 -8.961 10.867 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -8.702 -10.658 10.551 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -8.151 -9.377 9.445 1.00 0.67 H new ATOM 324 N MET A 22 -10.427 -8.387 7.363 1.00 0.66 N ATOM 325 CA MET A 22 -10.785 -7.163 6.656 1.00 0.72 C ATOM 326 C MET A 22 -12.168 -7.290 6.023 1.00 0.74 C ATOM 327 O MET A 22 -13.149 -6.746 6.533 1.00 0.90 O ATOM 328 CB MET A 22 -9.741 -6.853 5.579 1.00 0.75 C ATOM 329 CG MET A 22 -10.107 -5.676 4.691 1.00 0.88 C ATOM 330 SD MET A 22 -10.132 -4.109 5.584 1.00 1.45 S ATOM 331 CE MET A 22 -8.413 -3.961 6.065 1.00 2.05 C ATOM 0 H MET A 22 -9.992 -9.099 6.776 1.00 0.66 H new ATOM 0 HA MET A 22 -10.809 -6.344 7.375 1.00 0.72 H new ATOM 0 HB2 MET A 22 -8.785 -6.649 6.061 1.00 0.75 H new ATOM 0 HB3 MET A 22 -9.602 -7.737 4.956 1.00 0.75 H new ATOM 0 HG2 MET A 22 -9.393 -5.610 3.870 1.00 0.88 H new ATOM 0 HG3 MET A 22 -11.087 -5.852 4.248 1.00 0.88 H new ATOM 0 HE1 MET A 22 -8.256 -3.005 6.565 1.00 2.05 H new ATOM 0 HE2 MET A 22 -8.154 -4.773 6.745 1.00 2.05 H new ATOM 0 HE3 MET A 22 -7.781 -4.015 5.178 1.00 2.05 H new ATOM 341 N GLY A 23 -12.237 -8.014 4.908 1.00 0.79 N ATOM 342 CA GLY A 23 -13.497 -8.204 4.218 1.00 0.85 C ATOM 343 C GLY A 23 -13.306 -8.535 2.751 1.00 0.84 C ATOM 344 O GLY A 23 -14.054 -8.056 1.899 1.00 0.97 O ATOM 0 H GLY A 23 -11.438 -8.473 4.471 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -14.055 -9.007 4.700 1.00 0.85 H new ATOM 0 HA3 GLY A 23 -14.098 -7.299 4.309 1.00 0.85 H new ATOM 348 N LEU A 24 -12.299 -9.353 2.457 1.00 0.77 N ATOM 349 CA LEU A 24 -12.012 -9.746 1.081 1.00 0.78 C ATOM 350 C LEU A 24 -12.166 -11.254 0.903 1.00 0.71 C ATOM 351 O LEU A 24 -11.671 -12.034 1.717 1.00 0.68 O ATOM 352 CB LEU A 24 -10.596 -9.311 0.685 1.00 0.78 C ATOM 353 CG LEU A 24 -10.303 -9.342 -0.816 1.00 0.89 C ATOM 354 CD1 LEU A 24 -11.082 -8.251 -1.536 1.00 1.45 C ATOM 355 CD2 LEU A 24 -8.811 -9.190 -1.071 1.00 1.26 C ATOM 0 H LEU A 24 -11.670 -9.756 3.151 1.00 0.77 H new ATOM 0 HA LEU A 24 -12.730 -9.247 0.430 1.00 0.78 H new ATOM 0 HB2 LEU A 24 -10.428 -8.298 1.051 1.00 0.78 H new ATOM 0 HB3 LEU A 24 -9.879 -9.956 1.193 1.00 0.78 H new ATOM 0 HG LEU A 24 -10.623 -10.307 -1.209 1.00 0.89 H new ATOM 0 HD11 LEU A 24 -10.860 -8.289 -2.603 1.00 1.45 H new ATOM 0 HD12 LEU A 24 -12.150 -8.404 -1.382 1.00 1.45 H new ATOM 0 HD13 LEU A 24 -10.794 -7.277 -1.140 1.00 1.45 H new ATOM 0 HD21 LEU A 24 -8.621 -9.214 -2.144 1.00 1.26 H new ATOM 0 HD22 LEU A 24 -8.467 -8.240 -0.663 1.00 1.26 H new ATOM 0 HD23 LEU A 24 -8.274 -10.007 -0.589 1.00 1.26 H new ATOM 361 N PRO A 25 -12.860 -11.687 -0.167 1.00 0.76 N ATOM 362 CA PRO A 25 -13.078 -13.110 -0.441 1.00 0.74 C ATOM 363 C PRO A 25 -11.809 -13.815 -0.904 1.00 0.67 C ATOM 364 O PRO A 25 -11.060 -13.293 -1.730 1.00 0.67 O ATOM 365 CB PRO A 25 -14.116 -13.096 -1.563 1.00 0.85 C ATOM 366 CG PRO A 25 -13.884 -11.805 -2.261 1.00 0.94 C ATOM 367 CD PRO A 25 -13.484 -10.830 -1.194 1.00 0.89 C ATOM 0 HA PRO A 25 -13.395 -13.652 0.450 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -13.984 -13.942 -2.237 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -15.130 -13.158 -1.168 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -13.102 -11.903 -3.014 1.00 0.94 H new ATOM 0 HG3 PRO A 25 -14.784 -11.472 -2.777 1.00 0.94 H new ATOM 0 HD2 PRO A 25 -12.786 -10.083 -1.573 1.00 0.89 H new ATOM 0 HD3 PRO A 25 -14.345 -10.291 -0.799 1.00 0.89 H new ATOM 375 N GLU A 26 -11.582 -15.005 -0.364 1.00 0.64 N ATOM 376 CA GLU A 26 -10.408 -15.804 -0.710 1.00 0.60 C ATOM 377 C GLU A 26 -10.257 -15.965 -2.220 1.00 0.60 C ATOM 378 O GLU A 26 -9.139 -16.014 -2.731 1.00 0.59 O ATOM 379 CB GLU A 26 -10.487 -17.188 -0.058 1.00 0.64 C ATOM 380 CG GLU A 26 -11.687 -18.014 -0.501 1.00 1.42 C ATOM 381 CD GLU A 26 -13.000 -17.487 0.046 1.00 1.61 C ATOM 382 OE1 GLU A 26 -13.340 -17.822 1.200 1.00 1.99 O ATOM 383 OE2 GLU A 26 -13.688 -16.740 -0.681 1.00 1.74 O ATOM 0 H GLU A 26 -12.199 -15.443 0.320 1.00 0.64 H new ATOM 0 HA GLU A 26 -9.536 -15.270 -0.332 1.00 0.60 H new ATOM 0 HB2 GLU A 26 -9.575 -17.739 -0.288 1.00 0.64 H new ATOM 0 HB3 GLU A 26 -10.522 -17.067 1.025 1.00 0.64 H new ATOM 0 HG2 GLU A 26 -11.731 -18.026 -1.590 1.00 1.42 H new ATOM 0 HG3 GLU A 26 -11.552 -19.046 -0.176 1.00 1.42 H new ATOM 390 N ASP A 27 -11.375 -16.033 -2.933 1.00 0.65 N ATOM 391 CA ASP A 27 -11.340 -16.197 -4.383 1.00 0.70 C ATOM 392 C ASP A 27 -10.524 -15.086 -5.039 1.00 0.70 C ATOM 393 O ASP A 27 -9.668 -15.349 -5.881 1.00 0.71 O ATOM 394 CB ASP A 27 -12.764 -16.203 -4.945 1.00 0.80 C ATOM 395 CG ASP A 27 -12.791 -16.338 -6.455 1.00 1.44 C ATOM 396 OD1 ASP A 27 -12.793 -17.484 -6.949 1.00 1.62 O ATOM 397 OD2 ASP A 27 -12.814 -15.295 -7.144 1.00 2.29 O ATOM 0 H ASP A 27 -12.312 -15.978 -2.535 1.00 0.65 H new ATOM 0 HA ASP A 27 -10.862 -17.150 -4.607 1.00 0.70 H new ATOM 0 HB2 ASP A 27 -13.324 -17.026 -4.500 1.00 0.80 H new ATOM 0 HB3 ASP A 27 -13.269 -15.281 -4.657 1.00 0.80 H new ATOM 402 N LEU A 28 -10.795 -13.848 -4.644 1.00 0.73 N ATOM 403 CA LEU A 28 -10.081 -12.695 -5.184 1.00 0.78 C ATOM 404 C LEU A 28 -8.630 -12.665 -4.708 1.00 0.74 C ATOM 405 O LEU A 28 -7.729 -12.287 -5.457 1.00 0.77 O ATOM 406 CB LEU A 28 -10.789 -11.395 -4.792 1.00 0.90 C ATOM 407 CG LEU A 28 -11.930 -10.970 -5.723 1.00 1.08 C ATOM 408 CD1 LEU A 28 -13.011 -12.039 -5.775 1.00 1.65 C ATOM 409 CD2 LEU A 28 -12.515 -9.640 -5.271 1.00 1.60 C ATOM 0 H LEU A 28 -11.505 -13.615 -3.950 1.00 0.73 H new ATOM 0 HA LEU A 28 -10.079 -12.786 -6.270 1.00 0.78 H new ATOM 0 HB2 LEU A 28 -11.186 -11.506 -3.783 1.00 0.90 H new ATOM 0 HB3 LEU A 28 -10.051 -10.594 -4.758 1.00 0.90 H new ATOM 0 HG LEU A 28 -11.525 -10.848 -6.728 1.00 1.08 H new ATOM 0 HD11 LEU A 28 -13.811 -11.716 -6.442 1.00 1.65 H new ATOM 0 HD12 LEU A 28 -12.584 -12.971 -6.146 1.00 1.65 H new ATOM 0 HD13 LEU A 28 -13.414 -12.197 -4.775 1.00 1.65 H new ATOM 0 HD21 LEU A 28 -13.324 -9.352 -5.942 1.00 1.60 H new ATOM 0 HD22 LEU A 28 -12.902 -9.739 -4.257 1.00 1.60 H new ATOM 0 HD23 LEU A 28 -11.738 -8.876 -5.290 1.00 1.60 H new ATOM 415 N ILE A 29 -8.414 -13.067 -3.458 1.00 0.70 N ATOM 416 CA ILE A 29 -7.078 -13.075 -2.868 1.00 0.72 C ATOM 417 C ILE A 29 -6.116 -13.957 -3.653 1.00 0.66 C ATOM 418 O ILE A 29 -5.004 -13.545 -3.974 1.00 0.70 O ATOM 419 CB ILE A 29 -7.118 -13.583 -1.415 1.00 0.76 C ATOM 420 CG1 ILE A 29 -8.125 -12.786 -0.592 1.00 1.01 C ATOM 421 CG2 ILE A 29 -5.733 -13.506 -0.788 1.00 0.90 C ATOM 422 CD1 ILE A 29 -8.384 -13.382 0.774 1.00 1.27 C ATOM 0 H ILE A 29 -9.150 -13.393 -2.832 1.00 0.70 H new ATOM 0 HA ILE A 29 -6.725 -12.044 -2.896 1.00 0.72 H new ATOM 0 HB ILE A 29 -7.436 -14.625 -1.424 1.00 0.76 H new ATOM 0 HG12 ILE A 29 -7.760 -11.766 -0.473 1.00 1.01 H new ATOM 0 HG13 ILE A 29 -9.066 -12.726 -1.139 1.00 1.01 H new ATOM 0 HG21 ILE A 29 -5.778 -13.869 0.239 1.00 0.90 H new ATOM 0 HG22 ILE A 29 -5.040 -14.122 -1.360 1.00 0.90 H new ATOM 0 HG23 ILE A 29 -5.388 -12.472 -0.793 1.00 0.90 H new ATOM 0 HD11 ILE A 29 -9.109 -12.767 1.308 1.00 1.27 H new ATOM 0 HD12 ILE A 29 -8.778 -14.392 0.662 1.00 1.27 H new ATOM 0 HD13 ILE A 29 -7.452 -13.417 1.339 1.00 1.27 H new ATOM 426 N GLN A 30 -6.554 -15.174 -3.953 1.00 0.61 N ATOM 427 CA GLN A 30 -5.730 -16.128 -4.682 1.00 0.62 C ATOM 428 C GLN A 30 -5.282 -15.566 -6.029 1.00 0.62 C ATOM 429 O GLN A 30 -4.131 -15.739 -6.431 1.00 0.64 O ATOM 430 CB GLN A 30 -6.495 -17.438 -4.874 1.00 0.68 C ATOM 431 CG GLN A 30 -6.952 -18.069 -3.565 1.00 0.73 C ATOM 432 CD GLN A 30 -5.838 -18.173 -2.543 1.00 0.99 C ATOM 433 OE1 GLN A 30 -5.110 -19.164 -2.500 1.00 1.44 O ATOM 434 NE2 GLN A 30 -5.699 -17.147 -1.706 1.00 1.08 N ATOM 0 H GLN A 30 -7.479 -15.523 -3.701 1.00 0.61 H new ATOM 0 HA GLN A 30 -4.833 -16.321 -4.093 1.00 0.62 H new ATOM 0 HB2 GLN A 30 -7.366 -17.253 -5.503 1.00 0.68 H new ATOM 0 HB3 GLN A 30 -5.861 -18.146 -5.408 1.00 0.68 H new ATOM 0 HG2 GLN A 30 -7.768 -17.479 -3.148 1.00 0.73 H new ATOM 0 HG3 GLN A 30 -7.349 -19.064 -3.766 1.00 0.73 H new ATOM 0 HE21 GLN A 30 -6.324 -16.344 -1.775 1.00 1.08 H new ATOM 0 HE22 GLN A 30 -4.968 -17.164 -0.995 1.00 1.08 H new ATOM 441 N LYS A 31 -6.195 -14.891 -6.721 1.00 0.65 N ATOM 442 CA LYS A 31 -5.883 -14.300 -8.018 1.00 0.72 C ATOM 443 C LYS A 31 -4.910 -13.135 -7.874 1.00 0.72 C ATOM 444 O LYS A 31 -4.094 -12.880 -8.760 1.00 0.76 O ATOM 445 CB LYS A 31 -7.164 -13.828 -8.710 1.00 0.86 C ATOM 446 CG LYS A 31 -7.862 -14.913 -9.512 1.00 1.19 C ATOM 447 CD LYS A 31 -8.459 -15.974 -8.606 1.00 1.49 C ATOM 448 CE LYS A 31 -8.987 -17.156 -9.403 1.00 2.17 C ATOM 449 NZ LYS A 31 -7.908 -17.845 -10.161 1.00 2.84 N ATOM 0 H LYS A 31 -7.154 -14.740 -6.407 1.00 0.65 H new ATOM 0 HA LYS A 31 -5.408 -15.068 -8.629 1.00 0.72 H new ATOM 0 HB2 LYS A 31 -7.853 -13.445 -7.957 1.00 0.86 H new ATOM 0 HB3 LYS A 31 -6.923 -12.997 -9.373 1.00 0.86 H new ATOM 0 HG2 LYS A 31 -8.649 -14.468 -10.121 1.00 1.19 H new ATOM 0 HG3 LYS A 31 -7.151 -15.375 -10.197 1.00 1.19 H new ATOM 0 HD2 LYS A 31 -7.703 -16.318 -7.900 1.00 1.49 H new ATOM 0 HD3 LYS A 31 -9.268 -15.539 -8.019 1.00 1.49 H new ATOM 0 HE2 LYS A 31 -9.464 -17.865 -8.726 1.00 2.17 H new ATOM 0 HE3 LYS A 31 -9.754 -16.812 -10.097 1.00 2.17 H new ATOM 0 HZ1 LYS A 31 -8.223 -18.801 -10.421 1.00 2.84 H new ATOM 0 HZ2 LYS A 31 -7.690 -17.305 -11.023 1.00 2.84 H new ATOM 0 HZ3 LYS A 31 -7.055 -17.911 -9.569 1.00 2.84 H new ATOM 463 N GLY A 32 -5.001 -12.432 -6.749 1.00 0.73 N ATOM 464 CA GLY A 32 -4.129 -11.295 -6.506 1.00 0.81 C ATOM 465 C GLY A 32 -2.709 -11.705 -6.165 1.00 0.76 C ATOM 466 O GLY A 32 -1.753 -11.189 -6.744 1.00 0.83 O ATOM 0 H GLY A 32 -5.664 -12.629 -6.000 1.00 0.73 H new ATOM 0 HA2 GLY A 32 -4.116 -10.658 -7.390 1.00 0.81 H new ATOM 0 HA3 GLY A 32 -4.536 -10.699 -5.689 1.00 0.81 H new ATOM 470 N LYS A 33 -2.571 -12.633 -5.223 1.00 0.72 N ATOM 471 CA LYS A 33 -1.259 -13.106 -4.802 1.00 0.76 C ATOM 472 C LYS A 33 -0.550 -13.844 -5.934 1.00 0.70 C ATOM 473 O LYS A 33 0.676 -13.809 -6.037 1.00 0.77 O ATOM 474 CB LYS A 33 -1.394 -14.020 -3.583 1.00 0.83 C ATOM 475 CG LYS A 33 -2.221 -15.268 -3.846 1.00 0.79 C ATOM 476 CD LYS A 33 -2.459 -16.062 -2.571 1.00 0.92 C ATOM 477 CE LYS A 33 -1.162 -16.627 -2.011 1.00 1.16 C ATOM 478 NZ LYS A 33 -1.390 -17.397 -0.757 1.00 1.82 N ATOM 0 H LYS A 33 -3.353 -13.072 -4.737 1.00 0.72 H new ATOM 0 HA LYS A 33 -0.657 -12.238 -4.534 1.00 0.76 H new ATOM 0 HB2 LYS A 33 -0.399 -14.317 -3.250 1.00 0.83 H new ATOM 0 HB3 LYS A 33 -1.849 -13.458 -2.767 1.00 0.83 H new ATOM 0 HG2 LYS A 33 -3.179 -14.985 -4.283 1.00 0.79 H new ATOM 0 HG3 LYS A 33 -1.711 -15.896 -4.576 1.00 0.79 H new ATOM 0 HD2 LYS A 33 -2.929 -15.421 -1.825 1.00 0.92 H new ATOM 0 HD3 LYS A 33 -3.154 -16.877 -2.774 1.00 0.92 H new ATOM 0 HE2 LYS A 33 -0.696 -17.273 -2.755 1.00 1.16 H new ATOM 0 HE3 LYS A 33 -0.465 -15.812 -1.815 1.00 1.16 H new ATOM 0 HZ1 LYS A 33 -0.483 -17.766 -0.406 1.00 1.82 H new ATOM 0 HZ2 LYS A 33 -1.811 -16.774 -0.039 1.00 1.82 H new ATOM 0 HZ3 LYS A 33 -2.035 -18.190 -0.949 1.00 1.82 H new ATOM 492 N ASP A 34 -1.330 -14.512 -6.779 1.00 0.64 N ATOM 493 CA ASP A 34 -0.776 -15.257 -7.904 1.00 0.65 C ATOM 494 C ASP A 34 -0.077 -14.322 -8.886 1.00 0.57 C ATOM 495 O ASP A 34 0.750 -14.756 -9.689 1.00 0.60 O ATOM 496 CB ASP A 34 -1.880 -16.035 -8.622 1.00 0.74 C ATOM 497 CG ASP A 34 -1.341 -16.896 -9.747 1.00 1.17 C ATOM 498 OD1 ASP A 34 -1.252 -16.397 -10.889 1.00 1.89 O ATOM 499 OD2 ASP A 34 -1.008 -18.072 -9.486 1.00 1.17 O ATOM 0 H ASP A 34 -2.347 -14.552 -6.706 1.00 0.64 H new ATOM 0 HA ASP A 34 -0.040 -15.960 -7.513 1.00 0.65 H new ATOM 0 HB2 ASP A 34 -2.403 -16.666 -7.903 1.00 0.74 H new ATOM 0 HB3 ASP A 34 -2.613 -15.335 -9.023 1.00 0.74 H new ATOM 504 N ILE A 35 -0.416 -13.039 -8.816 1.00 0.52 N ATOM 505 CA ILE A 35 0.176 -12.043 -9.700 1.00 0.48 C ATOM 506 C ILE A 35 1.029 -11.049 -8.919 1.00 0.43 C ATOM 507 O ILE A 35 0.568 -10.452 -7.947 1.00 0.46 O ATOM 508 CB ILE A 35 -0.909 -11.270 -10.477 1.00 0.52 C ATOM 509 CG1 ILE A 35 -1.870 -12.250 -11.155 1.00 0.61 C ATOM 510 CG2 ILE A 35 -0.267 -10.348 -11.505 1.00 0.55 C ATOM 511 CD1 ILE A 35 -3.075 -11.584 -11.785 1.00 1.28 C ATOM 0 H ILE A 35 -1.098 -12.665 -8.156 1.00 0.52 H new ATOM 0 HA ILE A 35 0.808 -12.582 -10.406 1.00 0.48 H new ATOM 0 HB ILE A 35 -1.477 -10.658 -9.776 1.00 0.52 H new ATOM 0 HG12 ILE A 35 -1.329 -12.803 -11.923 1.00 0.61 H new ATOM 0 HG13 ILE A 35 -2.212 -12.978 -10.419 1.00 0.61 H new ATOM 0 HG21 ILE A 35 -1.045 -9.809 -12.046 1.00 0.55 H new ATOM 0 HG22 ILE A 35 0.384 -9.635 -10.998 1.00 0.55 H new ATOM 0 HG23 ILE A 35 0.320 -10.939 -12.208 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -3.710 -12.341 -12.246 1.00 1.28 H new ATOM 0 HD12 ILE A 35 -3.640 -11.054 -11.018 1.00 1.28 H new ATOM 0 HD13 ILE A 35 -2.744 -10.877 -12.545 1.00 1.28 H new ATOM 515 N LYS A 36 2.275 -10.880 -9.349 1.00 0.40 N ATOM 516 CA LYS A 36 3.193 -9.952 -8.695 1.00 0.38 C ATOM 517 C LYS A 36 2.649 -8.528 -8.754 1.00 0.38 C ATOM 518 O LYS A 36 2.347 -8.012 -9.830 1.00 0.51 O ATOM 519 CB LYS A 36 4.570 -10.014 -9.357 1.00 0.41 C ATOM 520 CG LYS A 36 5.243 -11.372 -9.233 1.00 1.03 C ATOM 521 CD LYS A 36 6.493 -11.456 -10.093 1.00 1.53 C ATOM 522 CE LYS A 36 7.205 -12.786 -9.909 1.00 2.02 C ATOM 523 NZ LYS A 36 8.377 -12.922 -10.819 1.00 2.58 N ATOM 0 H LYS A 36 2.673 -11.373 -10.148 1.00 0.40 H new ATOM 0 HA LYS A 36 3.289 -10.245 -7.649 1.00 0.38 H new ATOM 0 HB2 LYS A 36 4.468 -9.763 -10.413 1.00 0.41 H new ATOM 0 HB3 LYS A 36 5.214 -9.256 -8.910 1.00 0.41 H new ATOM 0 HG2 LYS A 36 5.504 -11.556 -8.191 1.00 1.03 H new ATOM 0 HG3 LYS A 36 4.544 -12.154 -9.529 1.00 1.03 H new ATOM 0 HD2 LYS A 36 6.224 -11.328 -11.142 1.00 1.53 H new ATOM 0 HD3 LYS A 36 7.169 -10.641 -9.835 1.00 1.53 H new ATOM 0 HE2 LYS A 36 7.536 -12.880 -8.875 1.00 2.02 H new ATOM 0 HE3 LYS A 36 6.505 -13.601 -10.095 1.00 2.02 H new ATOM 0 HZ1 LYS A 36 8.834 -13.843 -10.661 1.00 2.58 H new ATOM 0 HZ2 LYS A 36 8.059 -12.858 -11.807 1.00 2.58 H new ATOM 0 HZ3 LYS A 36 9.058 -12.160 -10.625 1.00 2.58 H new ATOM 537 N GLY A 37 2.528 -7.897 -7.589 1.00 0.45 N ATOM 538 CA GLY A 37 2.017 -6.541 -7.530 1.00 0.49 C ATOM 539 C GLY A 37 2.983 -5.530 -8.112 1.00 0.40 C ATOM 540 O GLY A 37 4.181 -5.791 -8.209 1.00 0.39 O ATOM 0 H GLY A 37 2.775 -8.302 -6.686 1.00 0.45 H new ATOM 0 HA2 GLY A 37 1.072 -6.489 -8.071 1.00 0.49 H new ATOM 0 HA3 GLY A 37 1.805 -6.281 -6.493 1.00 0.49 H new ATOM 544 N VAL A 38 2.460 -4.371 -8.497 1.00 0.42 N ATOM 545 CA VAL A 38 3.280 -3.314 -9.077 1.00 0.40 C ATOM 546 C VAL A 38 3.158 -2.032 -8.261 1.00 0.40 C ATOM 547 O VAL A 38 2.054 -1.617 -7.909 1.00 0.48 O ATOM 548 CB VAL A 38 2.871 -3.028 -10.533 1.00 0.51 C ATOM 549 CG1 VAL A 38 3.873 -2.099 -11.201 1.00 0.67 C ATOM 550 CG2 VAL A 38 2.735 -4.326 -11.314 1.00 0.80 C ATOM 0 H VAL A 38 1.470 -4.140 -8.418 1.00 0.42 H new ATOM 0 HA VAL A 38 4.314 -3.658 -9.062 1.00 0.40 H new ATOM 0 HB VAL A 38 1.901 -2.530 -10.525 1.00 0.51 H new ATOM 0 HG11 VAL A 38 3.565 -1.910 -12.229 1.00 0.67 H new ATOM 0 HG12 VAL A 38 3.915 -1.156 -10.656 1.00 0.67 H new ATOM 0 HG13 VAL A 38 4.859 -2.564 -11.197 1.00 0.67 H new ATOM 0 HG21 VAL A 38 2.445 -4.104 -12.341 1.00 0.80 H new ATOM 0 HG22 VAL A 38 3.689 -4.854 -11.312 1.00 0.80 H new ATOM 0 HG23 VAL A 38 1.973 -4.952 -10.849 1.00 0.80 H new ATOM 554 N SER A 39 4.294 -1.407 -7.965 1.00 0.37 N ATOM 555 CA SER A 39 4.299 -0.177 -7.179 1.00 0.40 C ATOM 556 C SER A 39 5.226 0.878 -7.778 1.00 0.39 C ATOM 557 O SER A 39 6.396 0.612 -8.052 1.00 0.44 O ATOM 558 CB SER A 39 4.718 -0.476 -5.738 1.00 0.47 C ATOM 559 OG SER A 39 6.018 -1.041 -5.692 1.00 1.40 O ATOM 0 H SER A 39 5.217 -1.729 -8.255 1.00 0.37 H new ATOM 0 HA SER A 39 3.285 0.224 -7.192 1.00 0.40 H new ATOM 0 HB2 SER A 39 4.696 0.442 -5.151 1.00 0.47 H new ATOM 0 HB3 SER A 39 4.003 -1.162 -5.283 1.00 0.47 H new ATOM 0 HG SER A 39 6.356 -1.158 -6.604 1.00 1.40 H new ATOM 565 N GLU A 40 4.683 2.076 -7.977 1.00 0.38 N ATOM 566 CA GLU A 40 5.444 3.195 -8.521 1.00 0.39 C ATOM 567 C GLU A 40 5.153 4.456 -7.712 1.00 0.39 C ATOM 568 O GLU A 40 3.994 4.773 -7.445 1.00 0.45 O ATOM 569 CB GLU A 40 5.096 3.419 -9.994 1.00 0.43 C ATOM 570 CG GLU A 40 5.944 4.483 -10.663 1.00 1.21 C ATOM 571 CD GLU A 40 5.471 4.813 -12.065 1.00 1.54 C ATOM 572 OE1 GLU A 40 5.916 4.138 -13.016 1.00 1.57 O ATOM 573 OE2 GLU A 40 4.658 5.750 -12.213 1.00 2.16 O ATOM 0 H GLU A 40 3.710 2.297 -7.767 1.00 0.38 H new ATOM 0 HA GLU A 40 6.507 2.963 -8.454 1.00 0.39 H new ATOM 0 HB2 GLU A 40 5.215 2.479 -10.534 1.00 0.43 H new ATOM 0 HB3 GLU A 40 4.046 3.701 -10.072 1.00 0.43 H new ATOM 0 HG2 GLU A 40 5.929 5.388 -10.056 1.00 1.21 H new ATOM 0 HG3 GLU A 40 6.979 4.144 -10.704 1.00 1.21 H new ATOM 580 N ILE A 41 6.201 5.176 -7.320 1.00 0.39 N ATOM 581 CA ILE A 41 6.026 6.385 -6.522 1.00 0.41 C ATOM 582 C ILE A 41 6.690 7.599 -7.161 1.00 0.40 C ATOM 583 O ILE A 41 7.892 7.599 -7.422 1.00 0.43 O ATOM 584 CB ILE A 41 6.599 6.208 -5.102 1.00 0.48 C ATOM 585 CG1 ILE A 41 6.204 4.841 -4.534 1.00 0.57 C ATOM 586 CG2 ILE A 41 6.109 7.326 -4.194 1.00 0.55 C ATOM 587 CD1 ILE A 41 6.817 4.542 -3.184 1.00 1.16 C ATOM 0 H ILE A 41 7.170 4.946 -7.539 1.00 0.39 H new ATOM 0 HA ILE A 41 4.951 6.555 -6.470 1.00 0.41 H new ATOM 0 HB ILE A 41 7.687 6.257 -5.155 1.00 0.48 H new ATOM 0 HG12 ILE A 41 5.118 4.793 -4.449 1.00 0.57 H new ATOM 0 HG13 ILE A 41 6.503 4.065 -5.239 1.00 0.57 H new ATOM 0 HG21 ILE A 41 6.521 7.189 -3.194 1.00 0.55 H new ATOM 0 HG22 ILE A 41 6.434 8.287 -4.592 1.00 0.55 H new ATOM 0 HG23 ILE A 41 5.020 7.304 -4.144 1.00 0.55 H new ATOM 0 HD11 ILE A 41 6.492 3.558 -2.847 1.00 1.16 H new ATOM 0 HD12 ILE A 41 7.904 4.556 -3.267 1.00 1.16 H new ATOM 0 HD13 ILE A 41 6.498 5.296 -2.464 1.00 1.16 H new ATOM 591 N VAL A 42 5.891 8.631 -7.416 1.00 0.39 N ATOM 592 CA VAL A 42 6.395 9.867 -7.998 1.00 0.41 C ATOM 593 C VAL A 42 6.422 10.969 -6.943 1.00 0.41 C ATOM 594 O VAL A 42 5.378 11.391 -6.452 1.00 0.42 O ATOM 595 CB VAL A 42 5.529 10.327 -9.187 1.00 0.45 C ATOM 596 CG1 VAL A 42 6.110 11.582 -9.822 1.00 0.52 C ATOM 597 CG2 VAL A 42 5.401 9.214 -10.215 1.00 0.50 C ATOM 0 H VAL A 42 4.889 8.634 -7.227 1.00 0.39 H new ATOM 0 HA VAL A 42 7.404 9.672 -8.360 1.00 0.41 H new ATOM 0 HB VAL A 42 4.533 10.565 -8.814 1.00 0.45 H new ATOM 0 HG11 VAL A 42 5.483 11.890 -10.659 1.00 0.52 H new ATOM 0 HG12 VAL A 42 6.145 12.381 -9.082 1.00 0.52 H new ATOM 0 HG13 VAL A 42 7.118 11.375 -10.180 1.00 0.52 H new ATOM 0 HG21 VAL A 42 4.786 9.556 -11.047 1.00 0.50 H new ATOM 0 HG22 VAL A 42 6.391 8.942 -10.582 1.00 0.50 H new ATOM 0 HG23 VAL A 42 4.934 8.344 -9.753 1.00 0.50 H new ATOM 601 N HIS A 43 7.619 11.429 -6.599 1.00 0.45 N ATOM 602 CA HIS A 43 7.768 12.473 -5.592 1.00 0.48 C ATOM 603 C HIS A 43 8.079 13.824 -6.229 1.00 0.51 C ATOM 604 O HIS A 43 9.099 13.987 -6.902 1.00 0.58 O ATOM 605 CB HIS A 43 8.864 12.093 -4.595 1.00 0.57 C ATOM 606 CG HIS A 43 9.118 13.138 -3.551 1.00 0.72 C ATOM 607 ND1 HIS A 43 10.297 13.848 -3.466 1.00 1.30 N ATOM 608 CD2 HIS A 43 8.336 13.589 -2.540 1.00 0.78 C ATOM 609 CE1 HIS A 43 10.229 14.690 -2.449 1.00 1.31 C ATOM 610 NE2 HIS A 43 9.051 14.552 -1.872 1.00 0.87 N ATOM 0 H HIS A 43 8.496 11.098 -7.000 1.00 0.45 H new ATOM 0 HA HIS A 43 6.819 12.564 -5.063 1.00 0.48 H new ATOM 0 HB2 HIS A 43 8.588 11.160 -4.103 1.00 0.57 H new ATOM 0 HB3 HIS A 43 9.789 11.904 -5.140 1.00 0.57 H new ATOM 0 HD2 HIS A 43 7.337 13.253 -2.304 1.00 0.78 H new ATOM 0 HE1 HIS A 43 11.006 15.375 -2.143 1.00 1.31 H new ATOM 0 HE2 HIS A 43 8.724 15.076 -1.060 1.00 0.87 H new ATOM 619 N GLU A 44 7.189 14.788 -6.012 1.00 0.51 N ATOM 620 CA GLU A 44 7.358 16.133 -6.554 1.00 0.58 C ATOM 621 C GLU A 44 7.013 17.181 -5.501 1.00 0.61 C ATOM 622 O GLU A 44 5.839 17.421 -5.214 1.00 0.64 O ATOM 623 CB GLU A 44 6.474 16.325 -7.788 1.00 0.63 C ATOM 624 CG GLU A 44 6.755 15.331 -8.902 1.00 1.32 C ATOM 625 CD GLU A 44 5.911 15.585 -10.137 1.00 1.93 C ATOM 626 OE1 GLU A 44 4.781 15.060 -10.199 1.00 2.45 O ATOM 627 OE2 GLU A 44 6.383 16.308 -11.039 1.00 2.53 O ATOM 0 H GLU A 44 6.339 14.662 -5.462 1.00 0.51 H new ATOM 0 HA GLU A 44 8.402 16.256 -6.844 1.00 0.58 H new ATOM 0 HB2 GLU A 44 5.429 16.239 -7.492 1.00 0.63 H new ATOM 0 HB3 GLU A 44 6.615 17.336 -8.171 1.00 0.63 H new ATOM 0 HG2 GLU A 44 7.810 15.381 -9.171 1.00 1.32 H new ATOM 0 HG3 GLU A 44 6.566 14.321 -8.539 1.00 1.32 H new ATOM 634 N GLY A 45 8.039 17.801 -4.924 1.00 0.65 N ATOM 635 CA GLY A 45 7.818 18.811 -3.905 1.00 0.70 C ATOM 636 C GLY A 45 7.181 18.235 -2.654 1.00 0.81 C ATOM 637 O GLY A 45 7.877 17.729 -1.773 1.00 1.77 O ATOM 0 H GLY A 45 9.019 17.622 -5.144 1.00 0.65 H new ATOM 0 HA2 GLY A 45 8.769 19.276 -3.645 1.00 0.70 H new ATOM 0 HA3 GLY A 45 7.178 19.596 -4.307 1.00 0.70 H new ATOM 641 N LYS A 46 5.856 18.316 -2.577 1.00 0.68 N ATOM 642 CA LYS A 46 5.123 17.790 -1.430 1.00 0.64 C ATOM 643 C LYS A 46 4.007 16.858 -1.886 1.00 0.57 C ATOM 644 O LYS A 46 3.486 16.066 -1.101 1.00 0.60 O ATOM 645 CB LYS A 46 4.545 18.932 -0.591 1.00 0.69 C ATOM 646 CG LYS A 46 5.605 19.787 0.089 1.00 1.50 C ATOM 647 CD LYS A 46 6.344 19.014 1.173 1.00 1.65 C ATOM 648 CE LYS A 46 5.451 18.734 2.372 1.00 2.57 C ATOM 649 NZ LYS A 46 6.170 17.975 3.433 1.00 3.15 N ATOM 0 H LYS A 46 5.268 18.740 -3.295 1.00 0.68 H new ATOM 0 HA LYS A 46 5.820 17.222 -0.814 1.00 0.64 H new ATOM 0 HB2 LYS A 46 3.933 19.568 -1.231 1.00 0.69 H new ATOM 0 HB3 LYS A 46 3.884 18.515 0.169 1.00 0.69 H new ATOM 0 HG2 LYS A 46 6.318 20.142 -0.655 1.00 1.50 H new ATOM 0 HG3 LYS A 46 5.136 20.668 0.526 1.00 1.50 H new ATOM 0 HD2 LYS A 46 6.709 18.072 0.764 1.00 1.65 H new ATOM 0 HD3 LYS A 46 7.217 19.582 1.494 1.00 1.65 H new ATOM 0 HE2 LYS A 46 5.088 19.676 2.782 1.00 2.57 H new ATOM 0 HE3 LYS A 46 4.577 18.168 2.050 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 5.491 17.657 4.153 1.00 3.15 H new ATOM 0 HZ2 LYS A 46 6.639 17.148 3.011 1.00 3.15 H new ATOM 0 HZ3 LYS A 46 6.883 18.589 3.876 1.00 3.15 H new ATOM 663 N LYS A 47 3.647 16.957 -3.164 1.00 0.55 N ATOM 664 CA LYS A 47 2.596 16.119 -3.730 1.00 0.52 C ATOM 665 C LYS A 47 3.182 14.843 -4.317 1.00 0.47 C ATOM 666 O LYS A 47 3.915 14.880 -5.306 1.00 0.53 O ATOM 667 CB LYS A 47 1.827 16.884 -4.810 1.00 0.61 C ATOM 668 CG LYS A 47 0.907 17.959 -4.254 1.00 1.25 C ATOM 669 CD LYS A 47 -0.296 17.358 -3.544 1.00 1.65 C ATOM 670 CE LYS A 47 -1.280 16.749 -4.530 1.00 2.25 C ATOM 671 NZ LYS A 47 -1.857 17.774 -5.442 1.00 2.71 N ATOM 0 H LYS A 47 4.068 17.609 -3.826 1.00 0.55 H new ATOM 0 HA LYS A 47 1.908 15.850 -2.928 1.00 0.52 H new ATOM 0 HB2 LYS A 47 2.539 17.345 -5.494 1.00 0.61 H new ATOM 0 HB3 LYS A 47 1.236 16.178 -5.393 1.00 0.61 H new ATOM 0 HG2 LYS A 47 1.462 18.589 -3.559 1.00 1.25 H new ATOM 0 HG3 LYS A 47 0.567 18.602 -5.066 1.00 1.25 H new ATOM 0 HD2 LYS A 47 0.039 16.593 -2.843 1.00 1.65 H new ATOM 0 HD3 LYS A 47 -0.797 18.129 -2.959 1.00 1.65 H new ATOM 0 HE2 LYS A 47 -0.777 15.982 -5.118 1.00 2.25 H new ATOM 0 HE3 LYS A 47 -2.084 16.256 -3.983 1.00 2.25 H new ATOM 0 HZ1 LYS A 47 -2.694 17.382 -5.919 1.00 2.71 H new ATOM 0 HZ2 LYS A 47 -2.133 18.612 -4.892 1.00 2.71 H new ATOM 0 HZ3 LYS A 47 -1.148 18.044 -6.153 1.00 2.71 H new ATOM 685 N VAL A 48 2.858 13.715 -3.698 1.00 0.44 N ATOM 686 CA VAL A 48 3.353 12.423 -4.154 1.00 0.44 C ATOM 687 C VAL A 48 2.231 11.592 -4.764 1.00 0.43 C ATOM 688 O VAL A 48 1.099 11.616 -4.283 1.00 0.52 O ATOM 689 CB VAL A 48 4.002 11.632 -3.001 1.00 0.50 C ATOM 690 CG1 VAL A 48 2.962 11.223 -1.969 1.00 1.36 C ATOM 691 CG2 VAL A 48 4.745 10.417 -3.533 1.00 1.31 C ATOM 0 H VAL A 48 2.254 13.669 -2.878 1.00 0.44 H new ATOM 0 HA VAL A 48 4.108 12.621 -4.915 1.00 0.44 H new ATOM 0 HB VAL A 48 4.725 12.283 -2.509 1.00 0.50 H new ATOM 0 HG11 VAL A 48 3.445 10.666 -1.166 1.00 1.36 H new ATOM 0 HG12 VAL A 48 2.487 12.114 -1.558 1.00 1.36 H new ATOM 0 HG13 VAL A 48 2.207 10.595 -2.442 1.00 1.36 H new ATOM 0 HG21 VAL A 48 5.195 9.873 -2.702 1.00 1.31 H new ATOM 0 HG22 VAL A 48 4.047 9.765 -4.058 1.00 1.31 H new ATOM 0 HG23 VAL A 48 5.526 10.741 -4.221 1.00 1.31 H new ATOM 695 N LYS A 49 2.549 10.866 -5.827 1.00 0.43 N ATOM 696 CA LYS A 49 1.562 10.029 -6.496 1.00 0.44 C ATOM 697 C LYS A 49 1.945 8.557 -6.400 1.00 0.42 C ATOM 698 O LYS A 49 3.035 8.159 -6.810 1.00 0.44 O ATOM 699 CB LYS A 49 1.419 10.444 -7.960 1.00 0.51 C ATOM 700 CG LYS A 49 0.950 11.879 -8.133 1.00 1.22 C ATOM 701 CD LYS A 49 0.596 12.181 -9.579 1.00 1.35 C ATOM 702 CE LYS A 49 -0.065 13.542 -9.711 1.00 1.95 C ATOM 703 NZ LYS A 49 0.865 14.649 -9.355 1.00 2.54 N ATOM 0 H LYS A 49 3.480 10.839 -6.244 1.00 0.43 H new ATOM 0 HA LYS A 49 0.603 10.166 -5.996 1.00 0.44 H new ATOM 0 HB2 LYS A 49 2.379 10.319 -8.462 1.00 0.51 H new ATOM 0 HB3 LYS A 49 0.713 9.776 -8.453 1.00 0.51 H new ATOM 0 HG2 LYS A 49 0.081 12.057 -7.500 1.00 1.22 H new ATOM 0 HG3 LYS A 49 1.732 12.561 -7.799 1.00 1.22 H new ATOM 0 HD2 LYS A 49 1.498 12.151 -10.191 1.00 1.35 H new ATOM 0 HD3 LYS A 49 -0.074 11.410 -9.961 1.00 1.35 H new ATOM 0 HE2 LYS A 49 -0.415 13.677 -10.734 1.00 1.95 H new ATOM 0 HE3 LYS A 49 -0.942 13.583 -9.065 1.00 1.95 H new ATOM 0 HZ1 LYS A 49 0.398 15.563 -9.523 1.00 2.54 H new ATOM 0 HZ2 LYS A 49 1.127 14.573 -8.351 1.00 2.54 H new ATOM 0 HZ3 LYS A 49 1.721 14.585 -9.942 1.00 2.54 H new ATOM 717 N LEU A 50 1.037 7.755 -5.857 1.00 0.40 N ATOM 718 CA LEU A 50 1.273 6.327 -5.700 1.00 0.40 C ATOM 719 C LEU A 50 0.384 5.526 -6.642 1.00 0.36 C ATOM 720 O LEU A 50 -0.842 5.653 -6.612 1.00 0.38 O ATOM 721 CB LEU A 50 1.015 5.903 -4.253 1.00 0.48 C ATOM 722 CG LEU A 50 1.198 4.411 -3.970 1.00 0.74 C ATOM 723 CD1 LEU A 50 2.643 3.997 -4.197 1.00 1.34 C ATOM 724 CD2 LEU A 50 0.765 4.082 -2.550 1.00 1.69 C ATOM 0 H LEU A 50 0.129 8.071 -5.518 1.00 0.40 H new ATOM 0 HA LEU A 50 2.314 6.125 -5.950 1.00 0.40 H new ATOM 0 HB2 LEU A 50 1.684 6.465 -3.602 1.00 0.48 H new ATOM 0 HB3 LEU A 50 -0.003 6.185 -3.984 1.00 0.48 H new ATOM 0 HG LEU A 50 0.569 3.850 -4.661 1.00 0.74 H new ATOM 0 HD11 LEU A 50 2.753 2.932 -3.991 1.00 1.34 H new ATOM 0 HD12 LEU A 50 2.920 4.197 -5.232 1.00 1.34 H new ATOM 0 HD13 LEU A 50 3.293 4.565 -3.531 1.00 1.34 H new ATOM 0 HD21 LEU A 50 0.902 3.016 -2.366 1.00 1.69 H new ATOM 0 HD22 LEU A 50 1.368 4.653 -1.844 1.00 1.69 H new ATOM 0 HD23 LEU A 50 -0.286 4.341 -2.421 1.00 1.69 H new ATOM 730 N THR A 51 1.005 4.699 -7.474 1.00 0.36 N ATOM 731 CA THR A 51 0.268 3.878 -8.424 1.00 0.37 C ATOM 732 C THR A 51 0.491 2.393 -8.157 1.00 0.39 C ATOM 733 O THR A 51 1.627 1.925 -8.088 1.00 0.45 O ATOM 734 CB THR A 51 0.672 4.199 -9.875 1.00 0.47 C ATOM 735 OG1 THR A 51 0.443 5.584 -10.151 1.00 0.61 O ATOM 736 CG2 THR A 51 -0.117 3.346 -10.859 1.00 0.63 C ATOM 0 H THR A 51 2.017 4.580 -7.509 1.00 0.36 H new ATOM 0 HA THR A 51 -0.789 4.111 -8.292 1.00 0.37 H new ATOM 0 HB THR A 51 1.732 3.974 -9.991 1.00 0.47 H new ATOM 0 HG1 THR A 51 0.704 5.781 -11.075 1.00 0.61 H new ATOM 0 HG21 THR A 51 0.186 3.591 -11.877 1.00 0.63 H new ATOM 0 HG22 THR A 51 0.080 2.291 -10.666 1.00 0.63 H new ATOM 0 HG23 THR A 51 -1.182 3.544 -10.740 1.00 0.63 H new ATOM 741 N ILE A 52 -0.606 1.660 -8.013 1.00 0.41 N ATOM 742 CA ILE A 52 -0.554 0.226 -7.765 1.00 0.47 C ATOM 743 C ILE A 52 -1.482 -0.505 -8.728 1.00 0.56 C ATOM 744 O ILE A 52 -2.668 -0.186 -8.812 1.00 0.63 O ATOM 745 CB ILE A 52 -0.965 -0.108 -6.316 1.00 0.55 C ATOM 746 CG1 ILE A 52 -0.146 0.717 -5.319 1.00 1.02 C ATOM 747 CG2 ILE A 52 -0.802 -1.597 -6.047 1.00 1.10 C ATOM 748 CD1 ILE A 52 1.334 0.388 -5.315 1.00 1.76 C ATOM 0 H ILE A 52 -1.551 2.040 -8.065 1.00 0.41 H new ATOM 0 HA ILE A 52 0.475 -0.100 -7.920 1.00 0.47 H new ATOM 0 HB ILE A 52 -2.016 0.150 -6.187 1.00 0.55 H new ATOM 0 HG12 ILE A 52 -0.272 1.775 -5.549 1.00 1.02 H new ATOM 0 HG13 ILE A 52 -0.546 0.559 -4.317 1.00 1.02 H new ATOM 0 HG21 ILE A 52 -1.096 -1.816 -5.020 1.00 1.10 H new ATOM 0 HG22 ILE A 52 -1.433 -2.162 -6.733 1.00 1.10 H new ATOM 0 HG23 ILE A 52 0.240 -1.881 -6.194 1.00 1.10 H new ATOM 0 HD11 ILE A 52 1.844 1.014 -4.583 1.00 1.76 H new ATOM 0 HD12 ILE A 52 1.473 -0.661 -5.054 1.00 1.76 H new ATOM 0 HD13 ILE A 52 1.751 0.574 -6.305 1.00 1.76 H new ATOM 752 N THR A 53 -0.948 -1.485 -9.453 1.00 0.63 N ATOM 753 CA THR A 53 -1.759 -2.228 -10.411 1.00 0.76 C ATOM 754 C THR A 53 -2.107 -3.625 -9.904 1.00 0.81 C ATOM 755 O THR A 53 -1.233 -4.387 -9.494 1.00 0.80 O ATOM 756 CB THR A 53 -1.036 -2.353 -11.768 1.00 0.85 C ATOM 757 OG1 THR A 53 -0.727 -1.053 -12.280 1.00 0.87 O ATOM 758 CG2 THR A 53 -1.888 -3.108 -12.777 1.00 1.00 C ATOM 0 H THR A 53 0.027 -1.779 -9.397 1.00 0.63 H new ATOM 0 HA THR A 53 -2.683 -1.663 -10.538 1.00 0.76 H new ATOM 0 HB THR A 53 -0.114 -2.912 -11.608 1.00 0.85 H new ATOM 0 HG1 THR A 53 -0.267 -1.141 -13.141 1.00 0.87 H new ATOM 0 HG21 THR A 53 -1.352 -3.180 -13.724 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.096 -4.109 -12.400 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.827 -2.576 -12.931 1.00 1.00 H new ATOM 763 N TYR A 54 -3.399 -3.943 -9.937 1.00 0.93 N ATOM 764 CA TYR A 54 -3.887 -5.251 -9.512 1.00 1.04 C ATOM 765 C TYR A 54 -4.686 -5.919 -10.627 1.00 1.18 C ATOM 766 O TYR A 54 -5.800 -5.498 -10.933 1.00 1.53 O ATOM 767 CB TYR A 54 -4.754 -5.123 -8.257 1.00 1.11 C ATOM 768 CG TYR A 54 -3.961 -4.902 -6.988 1.00 1.63 C ATOM 769 CD1 TYR A 54 -3.019 -5.831 -6.566 1.00 1.53 C ATOM 770 CD2 TYR A 54 -4.150 -3.763 -6.216 1.00 2.57 C ATOM 771 CE1 TYR A 54 -2.289 -5.632 -5.411 1.00 2.31 C ATOM 772 CE2 TYR A 54 -3.423 -3.555 -5.060 1.00 3.42 C ATOM 773 CZ TYR A 54 -2.514 -4.501 -4.648 1.00 3.28 C ATOM 774 OH TYR A 54 -1.768 -4.292 -3.510 1.00 4.18 O ATOM 0 H TYR A 54 -4.130 -3.308 -10.256 1.00 0.93 H new ATOM 0 HA TYR A 54 -3.022 -5.872 -9.280 1.00 1.04 H new ATOM 0 HB2 TYR A 54 -5.449 -4.294 -8.390 1.00 1.11 H new ATOM 0 HB3 TYR A 54 -5.354 -6.027 -8.147 1.00 1.11 H new ATOM 0 HD1 TYR A 54 -2.855 -6.724 -7.151 1.00 1.53 H new ATOM 0 HD2 TYR A 54 -4.878 -3.027 -6.525 1.00 2.57 H new ATOM 0 HE1 TYR A 54 -1.547 -6.355 -5.106 1.00 2.31 H new ATOM 0 HE2 TYR A 54 -3.568 -2.654 -4.483 1.00 3.42 H new ATOM 0 HH TYR A 54 -2.046 -3.453 -3.086 1.00 4.18 H new ATOM 784 N GLY A 55 -4.120 -6.959 -11.227 1.00 1.09 N ATOM 785 CA GLY A 55 -4.809 -7.663 -12.294 1.00 1.20 C ATOM 786 C GLY A 55 -5.368 -6.734 -13.361 1.00 1.22 C ATOM 787 O GLY A 55 -6.584 -6.611 -13.505 1.00 2.00 O ATOM 0 H GLY A 55 -3.198 -7.328 -10.995 1.00 1.09 H new ATOM 0 HA2 GLY A 55 -4.120 -8.368 -12.760 1.00 1.20 H new ATOM 0 HA3 GLY A 55 -5.624 -8.248 -11.868 1.00 1.20 H new ATOM 791 N SER A 56 -4.474 -6.074 -14.094 1.00 0.89 N ATOM 792 CA SER A 56 -4.860 -5.161 -15.172 1.00 1.23 C ATOM 793 C SER A 56 -5.587 -3.914 -14.661 1.00 1.14 C ATOM 794 O SER A 56 -5.973 -3.054 -15.455 1.00 1.30 O ATOM 795 CB SER A 56 -5.735 -5.886 -16.198 1.00 1.66 C ATOM 796 OG SER A 56 -5.067 -7.019 -16.727 1.00 2.20 O ATOM 0 H SER A 56 -3.466 -6.155 -13.960 1.00 0.89 H new ATOM 0 HA SER A 56 -3.936 -4.827 -15.644 1.00 1.23 H new ATOM 0 HB2 SER A 56 -6.669 -6.196 -15.730 1.00 1.66 H new ATOM 0 HB3 SER A 56 -5.995 -5.203 -17.006 1.00 1.66 H new ATOM 0 HG SER A 56 -5.647 -7.466 -17.378 1.00 2.20 H new ATOM 802 N LYS A 57 -5.778 -3.807 -13.348 1.00 0.92 N ATOM 803 CA LYS A 57 -6.456 -2.643 -12.777 1.00 0.86 C ATOM 804 C LYS A 57 -5.442 -1.618 -12.290 1.00 0.77 C ATOM 805 O LYS A 57 -4.454 -1.967 -11.654 1.00 0.77 O ATOM 806 CB LYS A 57 -7.370 -3.050 -11.618 1.00 0.89 C ATOM 807 CG LYS A 57 -8.029 -1.869 -10.918 1.00 0.91 C ATOM 808 CD LYS A 57 -8.951 -2.327 -9.799 1.00 1.02 C ATOM 809 CE LYS A 57 -8.172 -2.945 -8.648 1.00 1.79 C ATOM 810 NZ LYS A 57 -9.067 -3.375 -7.538 1.00 2.51 N ATOM 0 H LYS A 57 -5.477 -4.503 -12.665 1.00 0.92 H new ATOM 0 HA LYS A 57 -7.066 -2.199 -13.563 1.00 0.86 H new ATOM 0 HB2 LYS A 57 -8.145 -3.717 -11.995 1.00 0.89 H new ATOM 0 HB3 LYS A 57 -6.789 -3.616 -10.889 1.00 0.89 H new ATOM 0 HG2 LYS A 57 -7.261 -1.211 -10.511 1.00 0.91 H new ATOM 0 HG3 LYS A 57 -8.597 -1.286 -11.643 1.00 0.91 H new ATOM 0 HD2 LYS A 57 -9.529 -1.479 -9.433 1.00 1.02 H new ATOM 0 HD3 LYS A 57 -9.663 -3.054 -10.189 1.00 1.02 H new ATOM 0 HE2 LYS A 57 -7.607 -3.803 -9.012 1.00 1.79 H new ATOM 0 HE3 LYS A 57 -7.448 -2.223 -8.271 1.00 1.79 H new ATOM 0 HZ1 LYS A 57 -8.497 -3.791 -6.774 1.00 2.51 H new ATOM 0 HZ2 LYS A 57 -9.588 -2.552 -7.173 1.00 2.51 H new ATOM 0 HZ3 LYS A 57 -9.742 -4.083 -7.891 1.00 2.51 H new ATOM 824 N VAL A 58 -5.696 -0.349 -12.588 1.00 0.75 N ATOM 825 CA VAL A 58 -4.796 0.721 -12.182 1.00 0.70 C ATOM 826 C VAL A 58 -5.369 1.519 -11.014 1.00 0.63 C ATOM 827 O VAL A 58 -6.494 2.013 -11.079 1.00 0.66 O ATOM 828 CB VAL A 58 -4.502 1.675 -13.356 1.00 0.76 C ATOM 829 CG1 VAL A 58 -3.613 2.828 -12.912 1.00 1.38 C ATOM 830 CG2 VAL A 58 -3.860 0.913 -14.507 1.00 1.31 C ATOM 0 H VAL A 58 -6.516 -0.038 -13.108 1.00 0.75 H new ATOM 0 HA VAL A 58 -3.866 0.250 -11.863 1.00 0.70 H new ATOM 0 HB VAL A 58 -5.447 2.095 -13.701 1.00 0.76 H new ATOM 0 HG11 VAL A 58 -3.421 3.486 -13.759 1.00 1.38 H new ATOM 0 HG12 VAL A 58 -4.112 3.389 -12.122 1.00 1.38 H new ATOM 0 HG13 VAL A 58 -2.668 2.435 -12.536 1.00 1.38 H new ATOM 0 HG21 VAL A 58 -3.658 1.599 -15.330 1.00 1.31 H new ATOM 0 HG22 VAL A 58 -2.925 0.465 -14.170 1.00 1.31 H new ATOM 0 HG23 VAL A 58 -4.537 0.129 -14.847 1.00 1.31 H new ATOM 834 N ILE A 59 -4.581 1.641 -9.950 1.00 0.59 N ATOM 835 CA ILE A 59 -4.996 2.384 -8.767 1.00 0.56 C ATOM 836 C ILE A 59 -4.084 3.584 -8.544 1.00 0.50 C ATOM 837 O ILE A 59 -2.890 3.429 -8.290 1.00 0.48 O ATOM 838 CB ILE A 59 -4.983 1.497 -7.506 1.00 0.62 C ATOM 839 CG1 ILE A 59 -5.845 0.251 -7.726 1.00 0.89 C ATOM 840 CG2 ILE A 59 -5.476 2.285 -6.299 1.00 0.79 C ATOM 841 CD1 ILE A 59 -5.888 -0.680 -6.533 1.00 1.60 C ATOM 0 H ILE A 59 -3.649 1.233 -9.884 1.00 0.59 H new ATOM 0 HA ILE A 59 -6.017 2.725 -8.942 1.00 0.56 H new ATOM 0 HB ILE A 59 -3.959 1.178 -7.312 1.00 0.62 H new ATOM 0 HG12 ILE A 59 -6.861 0.562 -7.969 1.00 0.89 H new ATOM 0 HG13 ILE A 59 -5.464 -0.296 -8.588 1.00 0.89 H new ATOM 0 HG21 ILE A 59 -5.461 1.646 -5.416 1.00 0.79 H new ATOM 0 HG22 ILE A 59 -4.826 3.145 -6.135 1.00 0.79 H new ATOM 0 HG23 ILE A 59 -6.494 2.629 -6.480 1.00 0.79 H new ATOM 0 HD11 ILE A 59 -6.518 -1.539 -6.764 1.00 1.60 H new ATOM 0 HD12 ILE A 59 -4.879 -1.021 -6.301 1.00 1.60 H new ATOM 0 HD13 ILE A 59 -6.298 -0.151 -5.673 1.00 1.60 H new ATOM 845 N HIS A 60 -4.652 4.781 -8.635 1.00 0.50 N ATOM 846 CA HIS A 60 -3.880 6.008 -8.451 1.00 0.48 C ATOM 847 C HIS A 60 -4.386 6.822 -7.261 1.00 0.49 C ATOM 848 O HIS A 60 -5.592 6.935 -7.041 1.00 0.57 O ATOM 849 CB HIS A 60 -3.938 6.860 -9.720 1.00 0.55 C ATOM 850 CG HIS A 60 -5.333 7.159 -10.172 1.00 1.14 C ATOM 851 ND1 HIS A 60 -5.985 8.339 -9.880 1.00 1.39 N ATOM 852 CD2 HIS A 60 -6.206 6.421 -10.901 1.00 2.15 C ATOM 853 CE1 HIS A 60 -7.197 8.315 -10.408 1.00 2.24 C ATOM 854 NE2 HIS A 60 -7.354 7.164 -11.033 1.00 2.74 N ATOM 0 H HIS A 60 -5.641 4.930 -8.834 1.00 0.50 H new ATOM 0 HA HIS A 60 -2.848 5.721 -8.248 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -3.412 7.798 -9.543 1.00 0.55 H new ATOM 0 HB3 HIS A 60 -3.408 6.344 -10.520 1.00 0.55 H new ATOM 0 HD2 HIS A 60 -6.032 5.434 -11.303 1.00 2.15 H new ATOM 0 HE1 HIS A 60 -7.932 9.103 -10.339 1.00 2.24 H new ATOM 0 HE2 HIS A 60 -8.193 6.872 -11.534 1.00 2.74 H new ATOM 863 N ASN A 61 -3.451 7.398 -6.505 1.00 0.45 N ATOM 864 CA ASN A 61 -3.793 8.209 -5.339 1.00 0.50 C ATOM 865 C ASN A 61 -2.651 9.154 -4.973 1.00 0.47 C ATOM 866 O ASN A 61 -1.544 8.714 -4.664 1.00 0.69 O ATOM 867 CB ASN A 61 -4.124 7.314 -4.142 1.00 0.58 C ATOM 868 CG ASN A 61 -5.530 6.752 -4.204 1.00 0.86 C ATOM 869 OD1 ASN A 61 -6.486 7.386 -3.758 1.00 1.79 O ATOM 870 ND2 ASN A 61 -5.662 5.551 -4.754 1.00 1.01 N ATOM 0 H ASN A 61 -2.450 7.317 -6.681 1.00 0.45 H new ATOM 0 HA ASN A 61 -4.669 8.805 -5.595 1.00 0.50 H new ATOM 0 HB2 ASN A 61 -3.410 6.492 -4.100 1.00 0.58 H new ATOM 0 HB3 ASN A 61 -4.006 7.886 -3.222 1.00 0.58 H new ATOM 0 HD21 ASN A 61 -6.583 5.119 -4.819 1.00 1.01 H new ATOM 0 HD22 ASN A 61 -4.842 5.061 -5.111 1.00 1.01 H new ATOM 875 N GLU A 62 -2.926 10.456 -5.010 1.00 0.49 N ATOM 876 CA GLU A 62 -1.924 11.463 -4.672 1.00 0.50 C ATOM 877 C GLU A 62 -2.219 12.072 -3.302 1.00 0.49 C ATOM 878 O GLU A 62 -3.379 12.312 -2.962 1.00 0.57 O ATOM 879 CB GLU A 62 -1.887 12.560 -5.741 1.00 0.69 C ATOM 880 CG GLU A 62 -3.244 13.185 -6.020 1.00 1.45 C ATOM 881 CD GLU A 62 -3.186 14.234 -7.115 1.00 1.63 C ATOM 882 OE1 GLU A 62 -3.188 13.852 -8.304 1.00 2.01 O ATOM 883 OE2 GLU A 62 -3.136 15.436 -6.782 1.00 1.80 O ATOM 0 H GLU A 62 -3.835 10.838 -5.271 1.00 0.49 H new ATOM 0 HA GLU A 62 -0.948 10.978 -4.635 1.00 0.50 H new ATOM 0 HB2 GLU A 62 -1.195 13.341 -5.425 1.00 0.69 H new ATOM 0 HB3 GLU A 62 -1.493 12.140 -6.666 1.00 0.69 H new ATOM 0 HG2 GLU A 62 -3.948 12.404 -6.306 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -3.626 13.639 -5.106 1.00 1.45 H new ATOM 890 N PHE A 63 -1.171 12.319 -2.516 1.00 0.44 N ATOM 891 CA PHE A 63 -1.344 12.888 -1.179 1.00 0.45 C ATOM 892 C PHE A 63 -0.157 13.759 -0.783 1.00 0.44 C ATOM 893 O PHE A 63 0.964 13.552 -1.246 1.00 0.45 O ATOM 894 CB PHE A 63 -1.556 11.777 -0.144 1.00 0.49 C ATOM 895 CG PHE A 63 -0.788 10.516 -0.427 1.00 0.70 C ATOM 896 CD1 PHE A 63 -1.304 9.553 -1.280 1.00 1.10 C ATOM 897 CD2 PHE A 63 0.446 10.292 0.160 1.00 0.98 C ATOM 898 CE1 PHE A 63 -0.603 8.392 -1.541 1.00 1.54 C ATOM 899 CE2 PHE A 63 1.151 9.130 -0.098 1.00 1.45 C ATOM 900 CZ PHE A 63 0.626 8.179 -0.949 1.00 1.66 C ATOM 0 H PHE A 63 -0.202 12.136 -2.778 1.00 0.44 H new ATOM 0 HA PHE A 63 -2.231 13.522 -1.204 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -1.268 12.151 0.838 1.00 0.49 H new ATOM 0 HB3 PHE A 63 -2.619 11.539 -0.096 1.00 0.49 H new ATOM 0 HD1 PHE A 63 -2.265 9.712 -1.746 1.00 1.10 H new ATOM 0 HD2 PHE A 63 0.863 11.033 0.827 1.00 0.98 H new ATOM 0 HE1 PHE A 63 -1.016 7.650 -2.208 1.00 1.54 H new ATOM 0 HE2 PHE A 63 2.112 8.967 0.367 1.00 1.45 H new ATOM 0 HZ PHE A 63 1.175 7.271 -1.151 1.00 1.66 H new ATOM 910 N THR A 64 -0.417 14.739 0.079 1.00 0.47 N ATOM 911 CA THR A 64 0.622 15.652 0.538 1.00 0.49 C ATOM 912 C THR A 64 1.194 15.208 1.880 1.00 0.49 C ATOM 913 O THR A 64 0.454 14.911 2.817 1.00 0.55 O ATOM 914 CB THR A 64 0.087 17.090 0.677 1.00 0.57 C ATOM 915 OG1 THR A 64 -0.513 17.514 -0.551 1.00 0.62 O ATOM 916 CG2 THR A 64 1.208 18.048 1.054 1.00 0.62 C ATOM 0 H THR A 64 -1.340 14.920 0.473 1.00 0.47 H new ATOM 0 HA THR A 64 1.410 15.634 -0.215 1.00 0.49 H new ATOM 0 HB THR A 64 -0.663 17.099 1.468 1.00 0.57 H new ATOM 0 HG1 THR A 64 -0.851 18.428 -0.451 1.00 0.62 H new ATOM 0 HG21 THR A 64 0.808 19.058 1.147 1.00 0.62 H new ATOM 0 HG22 THR A 64 1.644 17.742 2.005 1.00 0.62 H new ATOM 0 HG23 THR A 64 1.976 18.032 0.281 1.00 0.62 H new ATOM 921 N LEU A 65 2.519 15.168 1.957 1.00 0.47 N ATOM 922 CA LEU A 65 3.216 14.767 3.173 1.00 0.50 C ATOM 923 C LEU A 65 2.735 15.580 4.372 1.00 0.53 C ATOM 924 O LEU A 65 2.605 16.802 4.291 1.00 0.99 O ATOM 925 CB LEU A 65 4.723 14.954 2.986 1.00 0.72 C ATOM 926 CG LEU A 65 5.267 14.488 1.635 1.00 1.05 C ATOM 927 CD1 LEU A 65 6.737 14.848 1.500 1.00 1.57 C ATOM 928 CD2 LEU A 65 5.064 12.989 1.464 1.00 1.42 C ATOM 0 H LEU A 65 3.137 15.411 1.183 1.00 0.47 H new ATOM 0 HA LEU A 65 2.999 13.716 3.366 1.00 0.50 H new ATOM 0 HB2 LEU A 65 4.962 16.010 3.113 1.00 0.72 H new ATOM 0 HB3 LEU A 65 5.242 14.413 3.777 1.00 0.72 H new ATOM 0 HG LEU A 65 4.715 15.000 0.847 1.00 1.05 H new ATOM 0 HD11 LEU A 65 7.107 14.509 0.533 1.00 1.57 H new ATOM 0 HD12 LEU A 65 6.855 15.929 1.575 1.00 1.57 H new ATOM 0 HD13 LEU A 65 7.304 14.365 2.295 1.00 1.57 H new ATOM 0 HD21 LEU A 65 5.457 12.677 0.497 1.00 1.42 H new ATOM 0 HD22 LEU A 65 5.589 12.458 2.258 1.00 1.42 H new ATOM 0 HD23 LEU A 65 4.000 12.758 1.515 1.00 1.42 H new ATOM 934 N GLY A 66 2.470 14.894 5.480 1.00 0.46 N ATOM 935 CA GLY A 66 2.006 15.569 6.678 1.00 0.60 C ATOM 936 C GLY A 66 0.673 16.262 6.471 1.00 0.61 C ATOM 937 O GLY A 66 0.485 17.401 6.900 1.00 0.80 O ATOM 0 H GLY A 66 2.568 13.883 5.569 1.00 0.46 H new ATOM 0 HA2 GLY A 66 1.914 14.845 7.487 1.00 0.60 H new ATOM 0 HA3 GLY A 66 2.749 16.303 6.990 1.00 0.60 H new ATOM 941 N GLU A 67 -0.254 15.571 5.813 1.00 0.54 N ATOM 942 CA GLU A 67 -1.576 16.126 5.545 1.00 0.57 C ATOM 943 C GLU A 67 -2.612 15.014 5.408 1.00 0.55 C ATOM 944 O GLU A 67 -2.295 13.910 4.963 1.00 0.55 O ATOM 945 CB GLU A 67 -1.545 16.972 4.269 1.00 0.60 C ATOM 946 CG GLU A 67 -2.873 17.636 3.943 1.00 1.30 C ATOM 947 CD GLU A 67 -2.848 18.373 2.618 1.00 1.85 C ATOM 948 OE1 GLU A 67 -2.483 19.567 2.609 1.00 2.66 O ATOM 949 OE2 GLU A 67 -3.191 17.755 1.588 1.00 2.14 O ATOM 0 H GLU A 67 -0.113 14.626 5.456 1.00 0.54 H new ATOM 0 HA GLU A 67 -1.858 16.759 6.386 1.00 0.57 H new ATOM 0 HB2 GLU A 67 -0.780 17.742 4.372 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -1.250 16.340 3.432 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -3.657 16.879 3.918 1.00 1.30 H new ATOM 0 HG3 GLU A 67 -3.130 18.335 4.739 1.00 1.30 H new ATOM 956 N GLU A 68 -3.849 15.312 5.794 1.00 0.60 N ATOM 957 CA GLU A 68 -4.932 14.340 5.710 1.00 0.61 C ATOM 958 C GLU A 68 -5.494 14.283 4.293 1.00 0.63 C ATOM 959 O GLU A 68 -6.003 15.277 3.776 1.00 0.71 O ATOM 960 CB GLU A 68 -6.040 14.702 6.702 1.00 0.71 C ATOM 961 CG GLU A 68 -7.192 13.710 6.723 1.00 0.74 C ATOM 962 CD GLU A 68 -8.213 14.025 7.799 1.00 1.01 C ATOM 963 OE1 GLU A 68 -8.988 14.986 7.621 1.00 1.05 O ATOM 964 OE2 GLU A 68 -8.236 13.307 8.821 1.00 1.32 O ATOM 0 H GLU A 68 -4.126 16.220 6.168 1.00 0.60 H new ATOM 0 HA GLU A 68 -4.535 13.357 5.963 1.00 0.61 H new ATOM 0 HB2 GLU A 68 -5.612 14.769 7.702 1.00 0.71 H new ATOM 0 HB3 GLU A 68 -6.428 15.690 6.455 1.00 0.71 H new ATOM 0 HG2 GLU A 68 -7.683 13.709 5.750 1.00 0.74 H new ATOM 0 HG3 GLU A 68 -6.799 12.706 6.883 1.00 0.74 H new ATOM 971 N CYS A 69 -5.401 13.112 3.674 1.00 0.61 N ATOM 972 CA CYS A 69 -5.894 12.916 2.315 1.00 0.67 C ATOM 973 C CYS A 69 -6.975 11.841 2.286 1.00 0.67 C ATOM 974 O CYS A 69 -7.054 11.007 3.185 1.00 0.64 O ATOM 975 CB CYS A 69 -4.746 12.526 1.382 1.00 0.73 C ATOM 976 SG CYS A 69 -5.206 12.455 -0.365 1.00 1.86 S ATOM 0 H CYS A 69 -4.987 12.280 4.094 1.00 0.61 H new ATOM 0 HA CYS A 69 -6.326 13.856 1.971 1.00 0.67 H new ATOM 0 HB2 CYS A 69 -3.934 13.242 1.504 1.00 0.73 H new ATOM 0 HB3 CYS A 69 -4.361 11.552 1.685 1.00 0.73 H new ATOM 0 HG CYS A 69 -4.141 12.580 -1.100 1.00 1.86 H new ATOM 982 N GLU A 70 -7.806 11.866 1.250 1.00 0.75 N ATOM 983 CA GLU A 70 -8.882 10.893 1.121 1.00 0.77 C ATOM 984 C GLU A 70 -8.456 9.717 0.245 1.00 0.81 C ATOM 985 O GLU A 70 -8.131 9.887 -0.930 1.00 0.87 O ATOM 986 CB GLU A 70 -10.131 11.557 0.538 1.00 0.84 C ATOM 987 CG GLU A 70 -11.330 10.628 0.442 1.00 0.91 C ATOM 988 CD GLU A 70 -12.578 11.335 -0.050 1.00 1.22 C ATOM 989 OE1 GLU A 70 -12.674 11.589 -1.270 1.00 1.71 O ATOM 990 OE2 GLU A 70 -13.459 11.634 0.782 1.00 1.25 O ATOM 0 H GLU A 70 -7.755 12.546 0.491 1.00 0.75 H new ATOM 0 HA GLU A 70 -9.113 10.512 2.116 1.00 0.77 H new ATOM 0 HB2 GLU A 70 -10.397 12.415 1.155 1.00 0.84 H new ATOM 0 HB3 GLU A 70 -9.898 11.939 -0.456 1.00 0.84 H new ATOM 0 HG2 GLU A 70 -11.094 9.805 -0.232 1.00 0.91 H new ATOM 0 HG3 GLU A 70 -11.526 10.192 1.421 1.00 0.91 H new ATOM 997 N LEU A 71 -8.465 8.525 0.835 1.00 0.83 N ATOM 998 CA LEU A 71 -8.087 7.305 0.129 1.00 0.91 C ATOM 999 C LEU A 71 -9.249 6.318 0.119 1.00 0.94 C ATOM 1000 O LEU A 71 -10.021 6.250 1.075 1.00 0.96 O ATOM 1001 CB LEU A 71 -6.864 6.654 0.790 1.00 0.99 C ATOM 1002 CG LEU A 71 -5.532 7.400 0.636 1.00 1.28 C ATOM 1003 CD1 LEU A 71 -5.231 7.681 -0.827 1.00 1.90 C ATOM 1004 CD2 LEU A 71 -5.534 8.690 1.444 1.00 1.91 C ATOM 0 H LEU A 71 -8.732 8.378 1.808 1.00 0.83 H new ATOM 0 HA LEU A 71 -7.833 7.571 -0.897 1.00 0.91 H new ATOM 0 HB2 LEU A 71 -7.071 6.539 1.854 1.00 0.99 H new ATOM 0 HB3 LEU A 71 -6.745 5.652 0.378 1.00 0.99 H new ATOM 0 HG LEU A 71 -4.742 6.758 1.026 1.00 1.28 H new ATOM 0 HD11 LEU A 71 -4.282 8.210 -0.908 1.00 1.90 H new ATOM 0 HD12 LEU A 71 -5.169 6.740 -1.373 1.00 1.90 H new ATOM 0 HD13 LEU A 71 -6.026 8.295 -1.251 1.00 1.90 H new ATOM 0 HD21 LEU A 71 -4.579 9.200 1.318 1.00 1.91 H new ATOM 0 HD22 LEU A 71 -6.339 9.337 1.095 1.00 1.91 H new ATOM 0 HD23 LEU A 71 -5.685 8.459 2.498 1.00 1.91 H new ATOM 1010 N GLU A 72 -9.373 5.553 -0.962 1.00 0.99 N ATOM 1011 CA GLU A 72 -10.448 4.574 -1.074 1.00 1.05 C ATOM 1012 C GLU A 72 -10.043 3.260 -0.411 1.00 1.11 C ATOM 1013 O GLU A 72 -8.867 2.896 -0.401 1.00 1.19 O ATOM 1014 CB GLU A 72 -10.807 4.334 -2.544 1.00 1.13 C ATOM 1015 CG GLU A 72 -9.868 3.373 -3.257 1.00 1.52 C ATOM 1016 CD GLU A 72 -10.103 3.328 -4.754 1.00 1.73 C ATOM 1017 OE1 GLU A 72 -10.924 2.500 -5.201 1.00 1.82 O ATOM 1018 OE2 GLU A 72 -9.462 4.118 -5.480 1.00 2.11 O ATOM 0 H GLU A 72 -8.747 5.592 -1.767 1.00 0.99 H new ATOM 0 HA GLU A 72 -11.325 4.969 -0.562 1.00 1.05 H new ATOM 0 HB2 GLU A 72 -11.823 3.944 -2.601 1.00 1.13 H new ATOM 0 HB3 GLU A 72 -10.802 5.289 -3.070 1.00 1.13 H new ATOM 0 HG2 GLU A 72 -8.837 3.669 -3.064 1.00 1.52 H new ATOM 0 HG3 GLU A 72 -9.995 2.373 -2.843 1.00 1.52 H new ATOM 1025 N THR A 73 -11.022 2.557 0.145 1.00 1.12 N ATOM 1026 CA THR A 73 -10.767 1.285 0.809 1.00 1.22 C ATOM 1027 C THR A 73 -11.011 0.117 -0.139 1.00 1.35 C ATOM 1028 O THR A 73 -11.406 0.312 -1.288 1.00 1.38 O ATOM 1029 CB THR A 73 -11.644 1.113 2.062 1.00 1.24 C ATOM 1030 OG1 THR A 73 -13.030 1.160 1.703 1.00 1.76 O ATOM 1031 CG2 THR A 73 -11.342 2.196 3.086 1.00 1.63 C ATOM 0 H THR A 73 -12.000 2.846 0.149 1.00 1.12 H new ATOM 0 HA THR A 73 -9.720 1.291 1.114 1.00 1.22 H new ATOM 0 HB THR A 73 -11.419 0.143 2.505 1.00 1.24 H new ATOM 0 HG1 THR A 73 -13.292 2.088 1.529 1.00 1.76 H new ATOM 0 HG21 THR A 73 -11.974 2.054 3.963 1.00 1.63 H new ATOM 0 HG22 THR A 73 -10.294 2.137 3.380 1.00 1.63 H new ATOM 0 HG23 THR A 73 -11.541 3.175 2.650 1.00 1.63 H new ATOM 1036 N MET A 74 -10.769 -1.095 0.347 1.00 1.45 N ATOM 1037 CA MET A 74 -10.968 -2.292 -0.459 1.00 1.60 C ATOM 1038 C MET A 74 -12.448 -2.480 -0.784 1.00 1.65 C ATOM 1039 O MET A 74 -12.809 -3.288 -1.639 1.00 1.81 O ATOM 1040 CB MET A 74 -10.434 -3.529 0.269 1.00 1.70 C ATOM 1041 CG MET A 74 -8.967 -3.432 0.659 1.00 2.32 C ATOM 1042 SD MET A 74 -8.695 -2.420 2.126 1.00 3.10 S ATOM 1043 CE MET A 74 -6.951 -2.705 2.416 1.00 3.79 C ATOM 0 H MET A 74 -10.435 -1.274 1.294 1.00 1.45 H new ATOM 0 HA MET A 74 -10.415 -2.167 -1.390 1.00 1.60 H new ATOM 0 HB2 MET A 74 -11.028 -3.694 1.168 1.00 1.70 H new ATOM 0 HB3 MET A 74 -10.573 -4.402 -0.369 1.00 1.70 H new ATOM 0 HG2 MET A 74 -8.577 -4.434 0.838 1.00 2.32 H new ATOM 0 HG3 MET A 74 -8.402 -3.014 -0.174 1.00 2.32 H new ATOM 0 HE1 MET A 74 -6.632 -2.144 3.294 1.00 3.79 H new ATOM 0 HE2 MET A 74 -6.779 -3.768 2.582 1.00 3.79 H new ATOM 0 HE3 MET A 74 -6.379 -2.376 1.548 1.00 3.79 H new ATOM 1053 N THR A 75 -13.295 -1.725 -0.090 1.00 1.57 N ATOM 1054 CA THR A 75 -14.737 -1.801 -0.293 1.00 1.67 C ATOM 1055 C THR A 75 -15.243 -0.613 -1.106 1.00 1.56 C ATOM 1056 O THR A 75 -16.433 -0.518 -1.407 1.00 1.74 O ATOM 1057 CB THR A 75 -15.486 -1.832 1.052 1.00 1.89 C ATOM 1058 OG1 THR A 75 -15.352 -0.570 1.715 1.00 2.23 O ATOM 1059 CG2 THR A 75 -14.945 -2.936 1.949 1.00 2.00 C ATOM 0 H THR A 75 -13.006 -1.052 0.620 1.00 1.57 H new ATOM 0 HA THR A 75 -14.932 -2.724 -0.839 1.00 1.67 H new ATOM 0 HB THR A 75 -16.539 -2.030 0.851 1.00 1.89 H new ATOM 0 HG1 THR A 75 -14.460 -0.203 1.542 1.00 2.23 H new ATOM 0 HG21 THR A 75 -15.490 -2.938 2.893 1.00 2.00 H new ATOM 0 HG22 THR A 75 -15.071 -3.900 1.456 1.00 2.00 H new ATOM 0 HG23 THR A 75 -13.886 -2.762 2.142 1.00 2.00 H new ATOM 1064 N GLY A 76 -14.335 0.291 -1.458 1.00 1.40 N ATOM 1065 CA GLY A 76 -14.715 1.463 -2.222 1.00 1.47 C ATOM 1066 C GLY A 76 -15.144 2.612 -1.331 1.00 1.35 C ATOM 1067 O GLY A 76 -15.559 3.664 -1.816 1.00 1.39 O ATOM 0 H GLY A 76 -13.343 0.232 -1.228 1.00 1.40 H new ATOM 0 HA2 GLY A 76 -13.875 1.779 -2.841 1.00 1.47 H new ATOM 0 HA3 GLY A 76 -15.530 1.205 -2.898 1.00 1.47 H new ATOM 1071 N GLU A 77 -15.043 2.405 -0.019 1.00 1.28 N ATOM 1072 CA GLU A 77 -15.420 3.427 0.952 1.00 1.22 C ATOM 1073 C GLU A 77 -14.322 4.477 1.088 1.00 1.12 C ATOM 1074 O GLU A 77 -13.139 4.145 1.163 1.00 1.11 O ATOM 1075 CB GLU A 77 -15.708 2.785 2.304 1.00 1.28 C ATOM 1076 CG GLU A 77 -16.105 3.780 3.383 1.00 1.30 C ATOM 1077 CD GLU A 77 -16.575 3.102 4.656 1.00 1.60 C ATOM 1078 OE1 GLU A 77 -17.760 2.714 4.719 1.00 1.66 O ATOM 1079 OE2 GLU A 77 -15.756 2.958 5.588 1.00 1.94 O ATOM 0 H GLU A 77 -14.703 1.537 0.395 1.00 1.28 H new ATOM 0 HA GLU A 77 -16.323 3.923 0.596 1.00 1.22 H new ATOM 0 HB2 GLU A 77 -16.507 2.053 2.186 1.00 1.28 H new ATOM 0 HB3 GLU A 77 -14.823 2.240 2.633 1.00 1.28 H new ATOM 0 HG2 GLU A 77 -15.254 4.423 3.610 1.00 1.30 H new ATOM 0 HG3 GLU A 77 -16.899 4.424 3.004 1.00 1.30 H new ATOM 1086 N LYS A 78 -14.720 5.744 1.120 1.00 1.12 N ATOM 1087 CA LYS A 78 -13.766 6.841 1.238 1.00 1.06 C ATOM 1088 C LYS A 78 -13.416 7.117 2.698 1.00 0.97 C ATOM 1089 O LYS A 78 -14.297 7.360 3.523 1.00 1.03 O ATOM 1090 CB LYS A 78 -14.330 8.105 0.584 1.00 1.19 C ATOM 1091 CG LYS A 78 -14.897 7.869 -0.809 1.00 1.29 C ATOM 1092 CD LYS A 78 -13.847 7.310 -1.760 1.00 1.78 C ATOM 1093 CE LYS A 78 -12.774 8.337 -2.078 1.00 2.39 C ATOM 1094 NZ LYS A 78 -13.314 9.481 -2.865 1.00 2.94 N ATOM 0 H LYS A 78 -15.696 6.037 1.066 1.00 1.12 H new ATOM 0 HA LYS A 78 -12.852 6.548 0.721 1.00 1.06 H new ATOM 0 HB2 LYS A 78 -15.113 8.515 1.221 1.00 1.19 H new ATOM 0 HB3 LYS A 78 -13.542 8.856 0.524 1.00 1.19 H new ATOM 0 HG2 LYS A 78 -15.737 7.177 -0.747 1.00 1.29 H new ATOM 0 HG3 LYS A 78 -15.285 8.806 -1.207 1.00 1.29 H new ATOM 0 HD2 LYS A 78 -13.386 6.428 -1.316 1.00 1.78 H new ATOM 0 HD3 LYS A 78 -14.327 6.988 -2.684 1.00 1.78 H new ATOM 0 HE2 LYS A 78 -12.340 8.708 -1.149 1.00 2.39 H new ATOM 0 HE3 LYS A 78 -11.969 7.860 -2.637 1.00 2.39 H new ATOM 0 HZ1 LYS A 78 -12.770 9.584 -3.746 1.00 2.94 H new ATOM 0 HZ2 LYS A 78 -14.313 9.304 -3.094 1.00 2.94 H new ATOM 0 HZ3 LYS A 78 -13.236 10.354 -2.306 1.00 2.94 H new ATOM 1108 N VAL A 79 -12.123 7.079 3.003 1.00 0.89 N ATOM 1109 CA VAL A 79 -11.643 7.327 4.357 1.00 0.86 C ATOM 1110 C VAL A 79 -10.521 8.360 4.357 1.00 0.81 C ATOM 1111 O VAL A 79 -9.940 8.655 3.314 1.00 0.84 O ATOM 1112 CB VAL A 79 -11.144 6.031 5.026 1.00 0.90 C ATOM 1113 CG1 VAL A 79 -12.304 5.079 5.267 1.00 1.06 C ATOM 1114 CG2 VAL A 79 -10.068 5.369 4.179 1.00 1.05 C ATOM 0 H VAL A 79 -11.386 6.878 2.327 1.00 0.89 H new ATOM 0 HA VAL A 79 -12.487 7.713 4.929 1.00 0.86 H new ATOM 0 HB VAL A 79 -10.704 6.287 5.990 1.00 0.90 H new ATOM 0 HG11 VAL A 79 -11.935 4.169 5.740 1.00 1.06 H new ATOM 0 HG12 VAL A 79 -13.036 5.555 5.919 1.00 1.06 H new ATOM 0 HG13 VAL A 79 -12.773 4.829 4.315 1.00 1.06 H new ATOM 0 HG21 VAL A 79 -9.730 4.456 4.669 1.00 1.05 H new ATOM 0 HG22 VAL A 79 -10.476 5.124 3.198 1.00 1.05 H new ATOM 0 HG23 VAL A 79 -9.226 6.051 4.062 1.00 1.05 H new ATOM 1118 N LYS A 80 -10.220 8.905 5.532 1.00 0.79 N ATOM 1119 CA LYS A 80 -9.174 9.914 5.658 1.00 0.76 C ATOM 1120 C LYS A 80 -7.929 9.346 6.334 1.00 0.68 C ATOM 1121 O LYS A 80 -8.018 8.689 7.372 1.00 0.72 O ATOM 1122 CB LYS A 80 -9.697 11.114 6.446 1.00 0.84 C ATOM 1123 CG LYS A 80 -10.873 11.811 5.779 1.00 1.48 C ATOM 1124 CD LYS A 80 -11.391 12.967 6.619 1.00 1.82 C ATOM 1125 CE LYS A 80 -12.562 13.664 5.947 1.00 2.54 C ATOM 1126 NZ LYS A 80 -13.703 12.735 5.713 1.00 3.13 N ATOM 0 H LYS A 80 -10.684 8.666 6.408 1.00 0.79 H new ATOM 0 HA LYS A 80 -8.894 10.234 4.655 1.00 0.76 H new ATOM 0 HB2 LYS A 80 -9.997 10.783 7.440 1.00 0.84 H new ATOM 0 HB3 LYS A 80 -8.888 11.832 6.580 1.00 0.84 H new ATOM 0 HG2 LYS A 80 -10.569 12.180 4.799 1.00 1.48 H new ATOM 0 HG3 LYS A 80 -11.676 11.093 5.614 1.00 1.48 H new ATOM 0 HD2 LYS A 80 -11.699 12.598 7.597 1.00 1.82 H new ATOM 0 HD3 LYS A 80 -10.588 13.684 6.787 1.00 1.82 H new ATOM 0 HE2 LYS A 80 -12.893 14.497 6.568 1.00 2.54 H new ATOM 0 HE3 LYS A 80 -12.236 14.085 4.996 1.00 2.54 H new ATOM 0 HZ1 LYS A 80 -14.555 13.284 5.478 1.00 3.13 H new ATOM 0 HZ2 LYS A 80 -13.474 12.096 4.925 1.00 3.13 H new ATOM 0 HZ3 LYS A 80 -13.878 12.176 6.573 1.00 3.13 H new ATOM 1140 N ALA A 81 -6.768 9.602 5.733 1.00 0.64 N ATOM 1141 CA ALA A 81 -5.502 9.119 6.273 1.00 0.62 C ATOM 1142 C ALA A 81 -4.359 10.093 5.996 1.00 0.58 C ATOM 1143 O ALA A 81 -4.288 10.696 4.927 1.00 0.60 O ATOM 1144 CB ALA A 81 -5.177 7.756 5.686 1.00 0.69 C ATOM 0 H ALA A 81 -6.680 10.141 4.872 1.00 0.64 H new ATOM 0 HA ALA A 81 -5.611 9.036 7.354 1.00 0.62 H new ATOM 0 HB1 ALA A 81 -4.230 7.401 6.093 1.00 0.69 H new ATOM 0 HB2 ALA A 81 -5.969 7.052 5.941 1.00 0.69 H new ATOM 0 HB3 ALA A 81 -5.098 7.836 4.602 1.00 0.69 H new ATOM 1150 N VAL A 82 -3.462 10.234 6.970 1.00 0.58 N ATOM 1151 CA VAL A 82 -2.308 11.116 6.833 1.00 0.56 C ATOM 1152 C VAL A 82 -1.038 10.313 6.570 1.00 0.50 C ATOM 1153 O VAL A 82 -0.644 9.473 7.382 1.00 0.48 O ATOM 1154 CB VAL A 82 -2.090 11.977 8.094 1.00 0.59 C ATOM 1155 CG1 VAL A 82 -0.874 12.881 7.923 1.00 1.40 C ATOM 1156 CG2 VAL A 82 -3.330 12.797 8.408 1.00 1.34 C ATOM 0 H VAL A 82 -3.514 9.747 7.865 1.00 0.58 H new ATOM 0 HA VAL A 82 -2.517 11.771 5.987 1.00 0.56 H new ATOM 0 HB VAL A 82 -1.904 11.309 8.935 1.00 0.59 H new ATOM 0 HG11 VAL A 82 -0.737 13.480 8.823 1.00 1.40 H new ATOM 0 HG12 VAL A 82 0.013 12.270 7.755 1.00 1.40 H new ATOM 0 HG13 VAL A 82 -1.028 13.540 7.068 1.00 1.40 H new ATOM 0 HG21 VAL A 82 -3.153 13.396 9.301 1.00 1.34 H new ATOM 0 HG22 VAL A 82 -3.554 13.455 7.568 1.00 1.34 H new ATOM 0 HG23 VAL A 82 -4.174 12.129 8.580 1.00 1.34 H new ATOM 1160 N VAL A 83 -0.402 10.575 5.433 1.00 0.50 N ATOM 1161 CA VAL A 83 0.830 9.887 5.073 1.00 0.47 C ATOM 1162 C VAL A 83 2.034 10.771 5.375 1.00 0.45 C ATOM 1163 O VAL A 83 2.184 11.846 4.795 1.00 0.53 O ATOM 1164 CB VAL A 83 0.851 9.497 3.584 1.00 0.55 C ATOM 1165 CG1 VAL A 83 2.079 8.655 3.272 1.00 1.26 C ATOM 1166 CG2 VAL A 83 -0.423 8.756 3.211 1.00 1.11 C ATOM 0 H VAL A 83 -0.720 11.259 4.746 1.00 0.50 H new ATOM 0 HA VAL A 83 0.878 8.975 5.668 1.00 0.47 H new ATOM 0 HB VAL A 83 0.902 10.407 2.987 1.00 0.55 H new ATOM 0 HG11 VAL A 83 2.078 8.388 2.215 1.00 1.26 H new ATOM 0 HG12 VAL A 83 2.979 9.225 3.501 1.00 1.26 H new ATOM 0 HG13 VAL A 83 2.061 7.748 3.876 1.00 1.26 H new ATOM 0 HG21 VAL A 83 -0.392 8.488 2.155 1.00 1.11 H new ATOM 0 HG22 VAL A 83 -0.507 7.851 3.813 1.00 1.11 H new ATOM 0 HG23 VAL A 83 -1.285 9.397 3.397 1.00 1.11 H new ATOM 1170 N LYS A 84 2.885 10.314 6.284 1.00 0.41 N ATOM 1171 CA LYS A 84 4.064 11.077 6.671 1.00 0.43 C ATOM 1172 C LYS A 84 5.331 10.236 6.555 1.00 0.42 C ATOM 1173 O LYS A 84 5.295 9.013 6.692 1.00 0.44 O ATOM 1174 CB LYS A 84 3.907 11.584 8.104 1.00 0.48 C ATOM 1175 CG LYS A 84 4.712 12.837 8.395 1.00 0.78 C ATOM 1176 CD LYS A 84 4.726 13.168 9.880 1.00 0.91 C ATOM 1177 CE LYS A 84 3.423 13.812 10.330 1.00 1.51 C ATOM 1178 NZ LYS A 84 2.288 12.847 10.320 1.00 2.11 N ATOM 0 H LYS A 84 2.781 9.421 6.766 1.00 0.41 H new ATOM 0 HA LYS A 84 4.157 11.924 5.992 1.00 0.43 H new ATOM 0 HB2 LYS A 84 2.853 11.786 8.296 1.00 0.48 H new ATOM 0 HB3 LYS A 84 4.212 10.798 8.795 1.00 0.48 H new ATOM 0 HG2 LYS A 84 5.735 12.702 8.043 1.00 0.78 H new ATOM 0 HG3 LYS A 84 4.292 13.676 7.840 1.00 0.78 H new ATOM 0 HD2 LYS A 84 4.898 12.257 10.453 1.00 0.91 H new ATOM 0 HD3 LYS A 84 5.556 13.841 10.094 1.00 0.91 H new ATOM 0 HE2 LYS A 84 3.547 14.215 11.335 1.00 1.51 H new ATOM 0 HE3 LYS A 84 3.190 14.652 9.676 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 1.653 13.049 11.119 1.00 2.11 H new ATOM 0 HZ2 LYS A 84 1.762 12.939 9.428 1.00 2.11 H new ATOM 0 HZ3 LYS A 84 2.655 11.878 10.407 1.00 2.11 H new ATOM 1192 N MET A 85 6.452 10.901 6.297 1.00 0.48 N ATOM 1193 CA MET A 85 7.736 10.222 6.171 1.00 0.52 C ATOM 1194 C MET A 85 8.648 10.567 7.344 1.00 0.57 C ATOM 1195 O MET A 85 8.968 11.735 7.572 1.00 0.67 O ATOM 1196 CB MET A 85 8.413 10.613 4.857 1.00 0.68 C ATOM 1197 CG MET A 85 7.476 10.592 3.660 1.00 1.26 C ATOM 1198 SD MET A 85 8.340 10.830 2.095 1.00 1.83 S ATOM 1199 CE MET A 85 9.163 12.392 2.392 1.00 2.62 C ATOM 0 H MET A 85 6.497 11.912 6.171 1.00 0.48 H new ATOM 0 HA MET A 85 7.555 9.147 6.175 1.00 0.52 H new ATOM 0 HB2 MET A 85 8.836 11.612 4.959 1.00 0.68 H new ATOM 0 HB3 MET A 85 9.244 9.933 4.670 1.00 0.68 H new ATOM 0 HG2 MET A 85 6.945 9.640 3.636 1.00 1.26 H new ATOM 0 HG3 MET A 85 6.725 11.373 3.778 1.00 1.26 H new ATOM 0 HE1 MET A 85 9.151 12.989 1.480 1.00 2.62 H new ATOM 0 HE2 MET A 85 8.645 12.931 3.185 1.00 2.62 H new ATOM 0 HE3 MET A 85 10.195 12.208 2.692 1.00 2.62 H new ATOM 1209 N GLU A 86 9.065 9.546 8.086 1.00 0.60 N ATOM 1210 CA GLU A 86 9.943 9.740 9.234 1.00 0.73 C ATOM 1211 C GLU A 86 11.351 10.102 8.771 1.00 0.84 C ATOM 1212 O GLU A 86 12.197 10.508 9.568 1.00 1.00 O ATOM 1213 CB GLU A 86 9.980 8.474 10.096 1.00 0.77 C ATOM 1214 CG GLU A 86 10.736 8.639 11.406 1.00 1.07 C ATOM 1215 CD GLU A 86 10.091 9.652 12.332 1.00 1.44 C ATOM 1216 OE1 GLU A 86 10.436 10.847 12.237 1.00 2.06 O ATOM 1217 OE2 GLU A 86 9.241 9.247 13.153 1.00 1.48 O ATOM 0 H GLU A 86 8.808 8.574 7.912 1.00 0.60 H new ATOM 0 HA GLU A 86 9.551 10.561 9.834 1.00 0.73 H new ATOM 0 HB2 GLU A 86 8.958 8.166 10.315 1.00 0.77 H new ATOM 0 HB3 GLU A 86 10.440 7.669 9.522 1.00 0.77 H new ATOM 0 HG2 GLU A 86 10.792 7.675 11.912 1.00 1.07 H new ATOM 0 HG3 GLU A 86 11.760 8.948 11.193 1.00 1.07 H new ATOM 1224 N GLY A 87 11.585 9.958 7.471 1.00 0.80 N ATOM 1225 CA GLY A 87 12.883 10.270 6.908 1.00 0.95 C ATOM 1226 C GLY A 87 13.395 9.190 5.981 1.00 0.81 C ATOM 1227 O GLY A 87 12.719 8.813 5.023 1.00 1.62 O ATOM 0 H GLY A 87 10.895 9.629 6.796 1.00 0.80 H new ATOM 0 HA2 GLY A 87 12.820 11.211 6.362 1.00 0.95 H new ATOM 0 HA3 GLY A 87 13.599 10.418 7.717 1.00 0.95 H new ATOM 1231 N ASP A 88 14.590 8.690 6.267 1.00 0.89 N ATOM 1232 CA ASP A 88 15.197 7.656 5.453 1.00 1.05 C ATOM 1233 C ASP A 88 14.990 6.284 6.077 1.00 0.98 C ATOM 1234 O ASP A 88 15.280 6.077 7.255 1.00 1.56 O ATOM 1235 CB ASP A 88 16.692 7.930 5.274 1.00 1.46 C ATOM 1236 CG ASP A 88 16.957 9.261 4.596 1.00 2.14 C ATOM 1237 OD1 ASP A 88 17.022 10.286 5.307 1.00 2.84 O ATOM 1238 OD2 ASP A 88 17.100 9.278 3.355 1.00 2.57 O ATOM 0 H ASP A 88 15.157 8.988 7.061 1.00 0.89 H new ATOM 0 HA ASP A 88 14.715 7.667 4.476 1.00 1.05 H new ATOM 0 HB2 ASP A 88 17.180 7.918 6.248 1.00 1.46 H new ATOM 0 HB3 ASP A 88 17.138 7.129 4.684 1.00 1.46 H new ATOM 1243 N ASN A 89 14.465 5.368 5.273 1.00 0.54 N ATOM 1244 CA ASN A 89 14.212 3.992 5.701 1.00 0.51 C ATOM 1245 C ASN A 89 13.014 3.900 6.642 1.00 0.46 C ATOM 1246 O ASN A 89 12.541 2.806 6.937 1.00 0.55 O ATOM 1247 CB ASN A 89 15.461 3.393 6.362 1.00 0.61 C ATOM 1248 CG ASN A 89 15.256 1.968 6.852 1.00 1.42 C ATOM 1249 OD1 ASN A 89 15.790 1.580 7.890 1.00 2.19 O ATOM 1250 ND2 ASN A 89 14.493 1.178 6.104 1.00 2.22 N ATOM 0 H ASN A 89 14.202 5.555 4.305 1.00 0.54 H new ATOM 0 HA ASN A 89 13.974 3.413 4.809 1.00 0.51 H new ATOM 0 HB2 ASN A 89 16.285 3.410 5.649 1.00 0.61 H new ATOM 0 HB3 ASN A 89 15.755 4.021 7.203 1.00 0.61 H new ATOM 0 HD21 ASN A 89 14.332 0.211 6.384 1.00 2.22 H new ATOM 0 HD22 ASN A 89 14.068 1.539 5.250 1.00 2.22 H new ATOM 1255 N LYS A 90 12.512 5.043 7.101 1.00 0.46 N ATOM 1256 CA LYS A 90 11.373 5.050 8.013 1.00 0.49 C ATOM 1257 C LYS A 90 10.295 6.043 7.578 1.00 0.46 C ATOM 1258 O LYS A 90 10.576 7.213 7.319 1.00 0.53 O ATOM 1259 CB LYS A 90 11.832 5.377 9.435 1.00 0.70 C ATOM 1260 CG LYS A 90 12.657 4.278 10.078 1.00 0.64 C ATOM 1261 CD LYS A 90 14.135 4.420 9.751 1.00 1.25 C ATOM 1262 CE LYS A 90 14.962 3.347 10.441 1.00 1.43 C ATOM 1263 NZ LYS A 90 14.782 3.373 11.918 1.00 2.05 N ATOM 0 H LYS A 90 12.871 5.967 6.860 1.00 0.46 H new ATOM 0 HA LYS A 90 10.936 4.052 7.990 1.00 0.49 H new ATOM 0 HB2 LYS A 90 12.419 6.295 9.416 1.00 0.70 H new ATOM 0 HB3 LYS A 90 10.956 5.571 10.054 1.00 0.70 H new ATOM 0 HG2 LYS A 90 12.519 4.305 11.159 1.00 0.64 H new ATOM 0 HG3 LYS A 90 12.300 3.307 9.735 1.00 0.64 H new ATOM 0 HD2 LYS A 90 14.278 4.354 8.672 1.00 1.25 H new ATOM 0 HD3 LYS A 90 14.484 5.405 10.060 1.00 1.25 H new ATOM 0 HE2 LYS A 90 14.678 2.367 10.058 1.00 1.43 H new ATOM 0 HE3 LYS A 90 16.016 3.490 10.201 1.00 1.43 H new ATOM 0 HZ1 LYS A 90 15.554 2.843 12.371 1.00 2.05 H new ATOM 0 HZ2 LYS A 90 14.795 4.358 12.252 1.00 2.05 H new ATOM 0 HZ3 LYS A 90 13.871 2.936 12.164 1.00 2.05 H new ATOM 1277 N MET A 91 9.061 5.553 7.499 1.00 0.42 N ATOM 1278 CA MET A 91 7.916 6.378 7.122 1.00 0.45 C ATOM 1279 C MET A 91 6.696 5.995 7.956 1.00 0.42 C ATOM 1280 O MET A 91 6.416 4.812 8.143 1.00 0.46 O ATOM 1281 CB MET A 91 7.605 6.216 5.632 1.00 0.49 C ATOM 1282 CG MET A 91 8.674 6.799 4.723 1.00 1.03 C ATOM 1283 SD MET A 91 8.236 6.691 2.977 1.00 1.51 S ATOM 1284 CE MET A 91 9.597 7.589 2.236 1.00 1.96 C ATOM 0 H MET A 91 8.827 4.579 7.693 1.00 0.42 H new ATOM 0 HA MET A 91 8.164 7.422 7.314 1.00 0.45 H new ATOM 0 HB2 MET A 91 7.486 5.156 5.407 1.00 0.49 H new ATOM 0 HB3 MET A 91 6.652 6.697 5.414 1.00 0.49 H new ATOM 0 HG2 MET A 91 8.841 7.843 4.988 1.00 1.03 H new ATOM 0 HG3 MET A 91 9.614 6.274 4.891 1.00 1.03 H new ATOM 0 HE1 MET A 91 9.355 7.828 1.200 1.00 1.96 H new ATOM 0 HE2 MET A 91 9.769 8.512 2.790 1.00 1.96 H new ATOM 0 HE3 MET A 91 10.497 6.975 2.266 1.00 1.96 H new ATOM 1294 N VAL A 92 5.971 6.994 8.458 1.00 0.40 N ATOM 1295 CA VAL A 92 4.794 6.728 9.279 1.00 0.39 C ATOM 1296 C VAL A 92 3.502 7.150 8.584 1.00 0.38 C ATOM 1297 O VAL A 92 3.298 8.328 8.287 1.00 0.42 O ATOM 1298 CB VAL A 92 4.891 7.451 10.637 1.00 0.45 C ATOM 1299 CG1 VAL A 92 3.712 7.085 11.527 1.00 1.46 C ATOM 1300 CG2 VAL A 92 6.207 7.119 11.322 1.00 1.45 C ATOM 0 H VAL A 92 6.175 7.983 8.312 1.00 0.40 H new ATOM 0 HA VAL A 92 4.767 5.650 9.438 1.00 0.39 H new ATOM 0 HB VAL A 92 4.859 8.526 10.458 1.00 0.45 H new ATOM 0 HG11 VAL A 92 3.800 7.606 12.480 1.00 1.46 H new ATOM 0 HG12 VAL A 92 2.783 7.377 11.038 1.00 1.46 H new ATOM 0 HG13 VAL A 92 3.708 6.009 11.701 1.00 1.46 H new ATOM 0 HG21 VAL A 92 6.260 7.637 12.279 1.00 1.45 H new ATOM 0 HG22 VAL A 92 6.270 6.043 11.488 1.00 1.45 H new ATOM 0 HG23 VAL A 92 7.036 7.438 10.691 1.00 1.45 H new ATOM 1304 N THR A 93 2.635 6.174 8.335 1.00 0.37 N ATOM 1305 CA THR A 93 1.348 6.422 7.695 1.00 0.40 C ATOM 1306 C THR A 93 0.237 5.663 8.421 1.00 0.41 C ATOM 1307 O THR A 93 0.323 4.448 8.598 1.00 0.44 O ATOM 1308 CB THR A 93 1.362 6.012 6.210 1.00 0.44 C ATOM 1309 OG1 THR A 93 0.033 6.057 5.675 1.00 0.52 O ATOM 1310 CG2 THR A 93 1.940 4.615 6.035 1.00 0.47 C ATOM 0 H THR A 93 2.803 5.196 8.569 1.00 0.37 H new ATOM 0 HA THR A 93 1.159 7.494 7.753 1.00 0.40 H new ATOM 0 HB THR A 93 1.994 6.717 5.670 1.00 0.44 H new ATOM 0 HG1 THR A 93 0.052 5.796 4.730 1.00 0.52 H new ATOM 0 HG21 THR A 93 1.938 4.350 4.978 1.00 0.47 H new ATOM 0 HG22 THR A 93 2.962 4.594 6.413 1.00 0.47 H new ATOM 0 HG23 THR A 93 1.334 3.898 6.589 1.00 0.47 H new ATOM 1315 N THR A 94 -0.803 6.378 8.843 1.00 0.42 N ATOM 1316 CA THR A 94 -1.912 5.747 9.555 1.00 0.46 C ATOM 1317 C THR A 94 -3.259 6.058 8.908 1.00 0.51 C ATOM 1318 O THR A 94 -3.507 7.184 8.477 1.00 0.57 O ATOM 1319 CB THR A 94 -1.953 6.186 11.031 1.00 0.52 C ATOM 1320 OG1 THR A 94 -1.852 7.612 11.122 1.00 1.23 O ATOM 1321 CG2 THR A 94 -0.826 5.538 11.820 1.00 1.12 C ATOM 0 H THR A 94 -0.901 7.384 8.707 1.00 0.42 H new ATOM 0 HA THR A 94 -1.737 4.673 9.500 1.00 0.46 H new ATOM 0 HB THR A 94 -2.903 5.864 11.457 1.00 0.52 H new ATOM 0 HG1 THR A 94 -1.881 7.883 12.063 1.00 1.23 H new ATOM 0 HG21 THR A 94 -0.876 5.863 12.859 1.00 1.12 H new ATOM 0 HG22 THR A 94 -0.926 4.454 11.774 1.00 1.12 H new ATOM 0 HG23 THR A 94 0.133 5.832 11.393 1.00 1.12 H new ATOM 1326 N PHE A 95 -4.123 5.046 8.842 1.00 0.53 N ATOM 1327 CA PHE A 95 -5.451 5.204 8.259 1.00 0.61 C ATOM 1328 C PHE A 95 -6.497 4.467 9.093 1.00 0.67 C ATOM 1329 O PHE A 95 -6.295 3.315 9.478 1.00 0.76 O ATOM 1330 CB PHE A 95 -5.468 4.699 6.812 1.00 0.73 C ATOM 1331 CG PHE A 95 -5.256 3.218 6.673 1.00 0.58 C ATOM 1332 CD1 PHE A 95 -3.980 2.680 6.693 1.00 0.58 C ATOM 1333 CD2 PHE A 95 -6.336 2.365 6.513 1.00 0.73 C ATOM 1334 CE1 PHE A 95 -3.784 1.318 6.560 1.00 0.75 C ATOM 1335 CE2 PHE A 95 -6.147 1.001 6.378 1.00 0.94 C ATOM 1336 CZ PHE A 95 -4.870 0.478 6.402 1.00 0.96 C ATOM 0 H PHE A 95 -3.925 4.107 9.186 1.00 0.53 H new ATOM 0 HA PHE A 95 -5.698 6.266 8.257 1.00 0.61 H new ATOM 0 HB2 PHE A 95 -6.424 4.962 6.359 1.00 0.73 H new ATOM 0 HB3 PHE A 95 -4.694 5.220 6.248 1.00 0.73 H new ATOM 0 HD1 PHE A 95 -3.128 3.332 6.814 1.00 0.58 H new ATOM 0 HD2 PHE A 95 -7.337 2.770 6.493 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -2.784 0.911 6.580 1.00 0.75 H new ATOM 0 HE2 PHE A 95 -6.997 0.347 6.254 1.00 0.94 H new ATOM 0 HZ PHE A 95 -4.720 -0.586 6.297 1.00 0.96 H new ATOM 1346 N LYS A 96 -7.613 5.142 9.369 1.00 0.74 N ATOM 1347 CA LYS A 96 -8.693 4.558 10.163 1.00 0.83 C ATOM 1348 C LYS A 96 -8.199 4.161 11.554 1.00 0.85 C ATOM 1349 O LYS A 96 -8.269 4.950 12.496 1.00 1.43 O ATOM 1350 CB LYS A 96 -9.289 3.339 9.451 1.00 0.91 C ATOM 1351 CG LYS A 96 -9.917 3.662 8.104 1.00 1.27 C ATOM 1352 CD LYS A 96 -10.499 2.418 7.449 1.00 1.53 C ATOM 1353 CE LYS A 96 -11.693 1.880 8.224 1.00 1.76 C ATOM 1354 NZ LYS A 96 -12.254 0.649 7.601 1.00 2.52 N ATOM 0 H LYS A 96 -7.792 6.095 9.054 1.00 0.74 H new ATOM 0 HA LYS A 96 -9.469 5.315 10.276 1.00 0.83 H new ATOM 0 HB2 LYS A 96 -8.506 2.595 9.307 1.00 0.91 H new ATOM 0 HB3 LYS A 96 -10.044 2.887 10.094 1.00 0.91 H new ATOM 0 HG2 LYS A 96 -10.702 4.406 8.236 1.00 1.27 H new ATOM 0 HG3 LYS A 96 -9.167 4.103 7.448 1.00 1.27 H new ATOM 0 HD2 LYS A 96 -10.803 2.652 6.429 1.00 1.53 H new ATOM 0 HD3 LYS A 96 -9.731 1.648 7.384 1.00 1.53 H new ATOM 0 HE2 LYS A 96 -11.392 1.663 9.249 1.00 1.76 H new ATOM 0 HE3 LYS A 96 -12.467 2.646 8.275 1.00 1.76 H new ATOM 0 HZ1 LYS A 96 -13.065 0.316 8.160 1.00 2.52 H new ATOM 0 HZ2 LYS A 96 -12.565 0.861 6.632 1.00 2.52 H new ATOM 0 HZ3 LYS A 96 -11.524 -0.091 7.576 1.00 2.52 H new ATOM 1368 N GLY A 97 -7.699 2.935 11.669 1.00 0.78 N ATOM 1369 CA GLY A 97 -7.194 2.449 12.941 1.00 0.80 C ATOM 1370 C GLY A 97 -6.073 1.444 12.758 1.00 0.70 C ATOM 1371 O GLY A 97 -5.570 0.874 13.726 1.00 0.83 O ATOM 0 H GLY A 97 -7.634 2.267 10.901 1.00 0.78 H new ATOM 0 HA2 GLY A 97 -6.834 3.290 13.534 1.00 0.80 H new ATOM 0 HA3 GLY A 97 -8.007 1.988 13.502 1.00 0.80 H new ATOM 1375 N ILE A 98 -5.688 1.231 11.504 1.00 0.57 N ATOM 1376 CA ILE A 98 -4.624 0.295 11.166 1.00 0.50 C ATOM 1377 C ILE A 98 -3.271 1.002 11.135 1.00 0.45 C ATOM 1378 O ILE A 98 -3.162 2.128 10.647 1.00 0.48 O ATOM 1379 CB ILE A 98 -4.877 -0.381 9.801 1.00 0.52 C ATOM 1380 CG1 ILE A 98 -6.200 -1.154 9.813 1.00 0.71 C ATOM 1381 CG2 ILE A 98 -3.727 -1.311 9.443 1.00 0.59 C ATOM 1382 CD1 ILE A 98 -7.426 -0.279 9.649 1.00 1.45 C ATOM 0 H ILE A 98 -6.102 1.700 10.698 1.00 0.57 H new ATOM 0 HA ILE A 98 -4.615 -0.473 11.939 1.00 0.50 H new ATOM 0 HB ILE A 98 -4.942 0.401 9.044 1.00 0.52 H new ATOM 0 HG12 ILE A 98 -6.184 -1.894 9.012 1.00 0.71 H new ATOM 0 HG13 ILE A 98 -6.280 -1.702 10.752 1.00 0.71 H new ATOM 0 HG21 ILE A 98 -3.924 -1.778 8.478 1.00 0.59 H new ATOM 0 HG22 ILE A 98 -2.801 -0.739 9.387 1.00 0.59 H new ATOM 0 HG23 ILE A 98 -3.632 -2.083 10.207 1.00 0.59 H new ATOM 0 HD11 ILE A 98 -8.321 -0.900 9.668 1.00 1.45 H new ATOM 0 HD12 ILE A 98 -7.469 0.444 10.464 1.00 1.45 H new ATOM 0 HD13 ILE A 98 -7.371 0.250 8.697 1.00 1.45 H new ATOM 1386 N LYS A 99 -2.245 0.337 11.654 1.00 0.41 N ATOM 1387 CA LYS A 99 -0.904 0.910 11.686 1.00 0.39 C ATOM 1388 C LYS A 99 -0.091 0.442 10.487 1.00 0.37 C ATOM 1389 O LYS A 99 0.128 -0.756 10.301 1.00 0.40 O ATOM 1390 CB LYS A 99 -0.186 0.511 12.975 1.00 0.42 C ATOM 1391 CG LYS A 99 0.566 1.658 13.637 1.00 0.95 C ATOM 1392 CD LYS A 99 1.646 2.221 12.725 1.00 1.46 C ATOM 1393 CE LYS A 99 2.472 3.284 13.432 1.00 2.05 C ATOM 1394 NZ LYS A 99 1.621 4.372 13.989 1.00 2.71 N ATOM 0 H LYS A 99 -2.315 -0.597 12.057 1.00 0.41 H new ATOM 0 HA LYS A 99 -0.999 1.995 11.648 1.00 0.39 H new ATOM 0 HB2 LYS A 99 -0.917 0.113 13.679 1.00 0.42 H new ATOM 0 HB3 LYS A 99 0.516 -0.293 12.755 1.00 0.42 H new ATOM 0 HG2 LYS A 99 -0.136 2.449 13.902 1.00 0.95 H new ATOM 0 HG3 LYS A 99 1.018 1.309 14.565 1.00 0.95 H new ATOM 0 HD2 LYS A 99 2.298 1.414 12.390 1.00 1.46 H new ATOM 0 HD3 LYS A 99 1.185 2.649 11.834 1.00 1.46 H new ATOM 0 HE2 LYS A 99 3.044 2.823 14.237 1.00 2.05 H new ATOM 0 HE3 LYS A 99 3.192 3.709 12.732 1.00 2.05 H new ATOM 0 HZ1 LYS A 99 2.047 5.294 13.766 1.00 2.71 H new ATOM 0 HZ2 LYS A 99 0.671 4.319 13.569 1.00 2.71 H new ATOM 0 HZ3 LYS A 99 1.550 4.263 15.021 1.00 2.71 H new ATOM 1408 N SER A 100 0.353 1.394 9.677 1.00 0.36 N ATOM 1409 CA SER A 100 1.142 1.080 8.494 1.00 0.36 C ATOM 1410 C SER A 100 2.500 1.769 8.540 1.00 0.34 C ATOM 1411 O SER A 100 2.586 2.994 8.613 1.00 0.34 O ATOM 1412 CB SER A 100 0.390 1.497 7.229 1.00 0.40 C ATOM 1413 OG SER A 100 1.143 1.200 6.067 1.00 1.23 O ATOM 0 H SER A 100 0.180 2.389 9.818 1.00 0.36 H new ATOM 0 HA SER A 100 1.305 0.002 8.476 1.00 0.36 H new ATOM 0 HB2 SER A 100 -0.569 0.981 7.186 1.00 0.40 H new ATOM 0 HB3 SER A 100 0.177 2.565 7.265 1.00 0.40 H new ATOM 0 HG SER A 100 0.640 1.475 5.272 1.00 1.23 H new ATOM 1419 N VAL A 101 3.560 0.970 8.497 1.00 0.34 N ATOM 1420 CA VAL A 101 4.918 1.495 8.518 1.00 0.33 C ATOM 1421 C VAL A 101 5.664 1.073 7.261 1.00 0.33 C ATOM 1422 O VAL A 101 5.787 -0.118 6.975 1.00 0.36 O ATOM 1423 CB VAL A 101 5.694 1.009 9.758 1.00 0.37 C ATOM 1424 CG1 VAL A 101 7.114 1.556 9.752 1.00 0.49 C ATOM 1425 CG2 VAL A 101 4.967 1.408 11.034 1.00 0.59 C ATOM 0 H VAL A 101 3.503 -0.047 8.447 1.00 0.34 H new ATOM 0 HA VAL A 101 4.848 2.582 8.559 1.00 0.33 H new ATOM 0 HB VAL A 101 5.750 -0.079 9.723 1.00 0.37 H new ATOM 0 HG11 VAL A 101 7.644 1.201 10.636 1.00 0.49 H new ATOM 0 HG12 VAL A 101 7.632 1.214 8.856 1.00 0.49 H new ATOM 0 HG13 VAL A 101 7.084 2.646 9.760 1.00 0.49 H new ATOM 0 HG21 VAL A 101 5.530 1.056 11.899 1.00 0.59 H new ATOM 0 HG22 VAL A 101 4.877 2.493 11.077 1.00 0.59 H new ATOM 0 HG23 VAL A 101 3.973 0.961 11.042 1.00 0.59 H new ATOM 1429 N THR A 102 6.164 2.049 6.514 1.00 0.35 N ATOM 1430 CA THR A 102 6.885 1.766 5.281 1.00 0.40 C ATOM 1431 C THR A 102 8.363 2.118 5.395 1.00 0.37 C ATOM 1432 O THR A 102 8.719 3.242 5.746 1.00 0.39 O ATOM 1433 CB THR A 102 6.278 2.537 4.090 1.00 0.50 C ATOM 1434 OG1 THR A 102 4.897 2.190 3.935 1.00 0.55 O ATOM 1435 CG2 THR A 102 7.027 2.230 2.801 1.00 0.59 C ATOM 0 H THR A 102 6.084 3.040 6.740 1.00 0.35 H new ATOM 0 HA THR A 102 6.790 0.694 5.107 1.00 0.40 H new ATOM 0 HB THR A 102 6.367 3.603 4.297 1.00 0.50 H new ATOM 0 HG1 THR A 102 4.824 1.248 3.673 1.00 0.55 H new ATOM 0 HG21 THR A 102 6.578 2.786 1.978 1.00 0.59 H new ATOM 0 HG22 THR A 102 8.072 2.521 2.909 1.00 0.59 H new ATOM 0 HG23 THR A 102 6.968 1.162 2.591 1.00 0.59 H new ATOM 1440 N GLU A 103 9.217 1.144 5.102 1.00 0.37 N ATOM 1441 CA GLU A 103 10.652 1.345 5.146 1.00 0.38 C ATOM 1442 C GLU A 103 11.173 1.662 3.750 1.00 0.41 C ATOM 1443 O GLU A 103 10.896 0.929 2.798 1.00 0.47 O ATOM 1444 CB GLU A 103 11.336 0.095 5.695 1.00 0.43 C ATOM 1445 CG GLU A 103 11.285 -0.012 7.210 1.00 1.12 C ATOM 1446 CD GLU A 103 11.973 -1.258 7.730 1.00 1.63 C ATOM 1447 OE1 GLU A 103 13.202 -1.210 7.951 1.00 2.10 O ATOM 1448 OE2 GLU A 103 11.283 -2.283 7.916 1.00 2.08 O ATOM 0 H GLU A 103 8.933 0.203 4.830 1.00 0.37 H new ATOM 0 HA GLU A 103 10.876 2.185 5.804 1.00 0.38 H new ATOM 0 HB2 GLU A 103 10.865 -0.787 5.261 1.00 0.43 H new ATOM 0 HB3 GLU A 103 12.378 0.090 5.374 1.00 0.43 H new ATOM 0 HG2 GLU A 103 11.755 0.868 7.649 1.00 1.12 H new ATOM 0 HG3 GLU A 103 10.245 -0.013 7.536 1.00 1.12 H new ATOM 1455 N PHE A 104 11.930 2.748 3.626 1.00 0.43 N ATOM 1456 CA PHE A 104 12.451 3.147 2.323 1.00 0.49 C ATOM 1457 C PHE A 104 13.956 2.934 2.215 1.00 0.52 C ATOM 1458 O PHE A 104 14.742 3.577 2.911 1.00 0.62 O ATOM 1459 CB PHE A 104 12.119 4.615 2.051 1.00 0.64 C ATOM 1460 CG PHE A 104 11.331 4.823 0.791 1.00 0.56 C ATOM 1461 CD1 PHE A 104 9.982 4.512 0.742 1.00 0.61 C ATOM 1462 CD2 PHE A 104 11.942 5.332 -0.344 1.00 0.69 C ATOM 1463 CE1 PHE A 104 9.256 4.704 -0.418 1.00 0.79 C ATOM 1464 CE2 PHE A 104 11.219 5.526 -1.506 1.00 0.78 C ATOM 1465 CZ PHE A 104 9.868 5.207 -1.539 1.00 0.83 C ATOM 0 H PHE A 104 12.193 3.359 4.399 1.00 0.43 H new ATOM 0 HA PHE A 104 11.972 2.514 1.576 1.00 0.49 H new ATOM 0 HB2 PHE A 104 11.555 5.015 2.894 1.00 0.64 H new ATOM 0 HB3 PHE A 104 13.046 5.184 1.989 1.00 0.64 H new ATOM 0 HD1 PHE A 104 9.493 4.115 1.619 1.00 0.61 H new ATOM 0 HD2 PHE A 104 12.993 5.579 -0.320 1.00 0.69 H new ATOM 0 HE1 PHE A 104 8.205 4.458 -0.443 1.00 0.79 H new ATOM 0 HE2 PHE A 104 11.703 5.924 -2.385 1.00 0.78 H new ATOM 0 HZ PHE A 104 9.300 5.354 -2.445 1.00 0.83 H new ATOM 1475 N ASN A 105 14.345 2.051 1.304 1.00 0.53 N ATOM 1476 CA ASN A 105 15.749 1.744 1.069 1.00 0.62 C ATOM 1477 C ASN A 105 16.096 1.940 -0.401 1.00 0.67 C ATOM 1478 O ASN A 105 15.230 1.833 -1.270 1.00 0.81 O ATOM 1479 CB ASN A 105 16.066 0.309 1.499 1.00 0.69 C ATOM 1480 CG ASN A 105 16.543 0.217 2.936 1.00 1.24 C ATOM 1481 OD1 ASN A 105 17.322 -0.671 3.286 1.00 1.72 O ATOM 1482 ND2 ASN A 105 16.079 1.131 3.780 1.00 1.53 N ATOM 0 H ASN A 105 13.699 1.530 0.710 1.00 0.53 H new ATOM 0 HA ASN A 105 16.353 2.427 1.666 1.00 0.62 H new ATOM 0 HB2 ASN A 105 15.175 -0.307 1.377 1.00 0.69 H new ATOM 0 HB3 ASN A 105 16.831 -0.102 0.840 1.00 0.69 H new ATOM 0 HD21 ASN A 105 16.366 1.114 4.759 1.00 1.53 H new ATOM 0 HD22 ASN A 105 15.435 1.850 3.450 1.00 1.53 H new ATOM 1487 N GLY A 106 17.360 2.232 -0.673 1.00 0.78 N ATOM 1488 CA GLY A 106 17.792 2.441 -2.042 1.00 0.82 C ATOM 1489 C GLY A 106 18.035 1.145 -2.789 1.00 0.94 C ATOM 1490 O GLY A 106 19.031 1.011 -3.500 1.00 1.44 O ATOM 0 H GLY A 106 18.094 2.328 0.028 1.00 0.78 H new ATOM 0 HA2 GLY A 106 17.037 3.023 -2.571 1.00 0.82 H new ATOM 0 HA3 GLY A 106 18.708 3.032 -2.042 1.00 0.82 H new ATOM 1494 N ASP A 107 17.125 0.187 -2.630 1.00 0.74 N ATOM 1495 CA ASP A 107 17.252 -1.104 -3.299 1.00 0.93 C ATOM 1496 C ASP A 107 16.001 -1.955 -3.097 1.00 0.75 C ATOM 1497 O ASP A 107 15.534 -2.617 -4.024 1.00 0.67 O ATOM 1498 CB ASP A 107 18.480 -1.853 -2.780 1.00 1.22 C ATOM 1499 CG ASP A 107 18.656 -3.207 -3.437 1.00 1.91 C ATOM 1500 OD1 ASP A 107 18.109 -4.199 -2.909 1.00 2.55 O ATOM 1501 OD2 ASP A 107 19.340 -3.277 -4.480 1.00 2.43 O ATOM 0 H ASP A 107 16.294 0.280 -2.045 1.00 0.74 H new ATOM 0 HA ASP A 107 17.371 -0.917 -4.366 1.00 0.93 H new ATOM 0 HB2 ASP A 107 19.370 -1.249 -2.956 1.00 1.22 H new ATOM 0 HB3 ASP A 107 18.392 -1.985 -1.702 1.00 1.22 H new ATOM 1506 N THR A 108 15.464 -1.933 -1.882 1.00 0.74 N ATOM 1507 CA THR A 108 14.270 -2.715 -1.563 1.00 0.63 C ATOM 1508 C THR A 108 13.320 -1.950 -0.647 1.00 0.59 C ATOM 1509 O THR A 108 13.706 -1.503 0.431 1.00 0.77 O ATOM 1510 CB THR A 108 14.638 -4.055 -0.897 1.00 0.75 C ATOM 1511 OG1 THR A 108 15.519 -4.800 -1.748 1.00 1.39 O ATOM 1512 CG2 THR A 108 13.391 -4.880 -0.607 1.00 1.53 C ATOM 0 H THR A 108 15.832 -1.386 -1.104 1.00 0.74 H new ATOM 0 HA THR A 108 13.767 -2.909 -2.510 1.00 0.63 H new ATOM 0 HB THR A 108 15.139 -3.838 0.047 1.00 0.75 H new ATOM 0 HG1 THR A 108 16.364 -4.314 -1.850 1.00 1.39 H new ATOM 0 HG21 THR A 108 13.678 -5.821 -0.137 1.00 1.53 H new ATOM 0 HG22 THR A 108 12.735 -4.325 0.064 1.00 1.53 H new ATOM 0 HG23 THR A 108 12.866 -5.086 -1.540 1.00 1.53 H new ATOM 1517 N ILE A 109 12.070 -1.809 -1.084 1.00 0.45 N ATOM 1518 CA ILE A 109 11.055 -1.110 -0.300 1.00 0.44 C ATOM 1519 C ILE A 109 10.063 -2.106 0.299 1.00 0.37 C ATOM 1520 O ILE A 109 9.412 -2.859 -0.425 1.00 0.36 O ATOM 1521 CB ILE A 109 10.294 -0.066 -1.154 1.00 0.51 C ATOM 1522 CG1 ILE A 109 11.180 1.155 -1.422 1.00 0.72 C ATOM 1523 CG2 ILE A 109 9.005 0.360 -0.465 1.00 0.70 C ATOM 1524 CD1 ILE A 109 12.393 0.859 -2.277 1.00 1.54 C ATOM 0 H ILE A 109 11.736 -2.170 -1.978 1.00 0.45 H new ATOM 0 HA ILE A 109 11.570 -0.583 0.504 1.00 0.44 H new ATOM 0 HB ILE A 109 10.038 -0.529 -2.107 1.00 0.51 H new ATOM 0 HG12 ILE A 109 10.583 1.924 -1.911 1.00 0.72 H new ATOM 0 HG13 ILE A 109 11.512 1.567 -0.469 1.00 0.72 H new ATOM 0 HG21 ILE A 109 8.487 1.094 -1.083 1.00 0.70 H new ATOM 0 HG22 ILE A 109 8.364 -0.510 -0.321 1.00 0.70 H new ATOM 0 HG23 ILE A 109 9.239 0.802 0.503 1.00 0.70 H new ATOM 0 HD11 ILE A 109 12.969 1.773 -2.421 1.00 1.54 H new ATOM 0 HD12 ILE A 109 13.014 0.113 -1.781 1.00 1.54 H new ATOM 0 HD13 ILE A 109 12.071 0.477 -3.246 1.00 1.54 H new ATOM 1528 N THR A 110 9.958 -2.102 1.625 1.00 0.37 N ATOM 1529 CA THR A 110 9.054 -3.011 2.325 1.00 0.34 C ATOM 1530 C THR A 110 7.944 -2.251 3.044 1.00 0.32 C ATOM 1531 O THR A 110 8.181 -1.197 3.634 1.00 0.37 O ATOM 1532 CB THR A 110 9.807 -3.879 3.351 1.00 0.39 C ATOM 1533 OG1 THR A 110 10.920 -4.527 2.723 1.00 0.44 O ATOM 1534 CG2 THR A 110 8.885 -4.925 3.960 1.00 0.41 C ATOM 0 H THR A 110 10.487 -1.480 2.236 1.00 0.37 H new ATOM 0 HA THR A 110 8.614 -3.655 1.564 1.00 0.34 H new ATOM 0 HB THR A 110 10.167 -3.227 4.147 1.00 0.39 H new ATOM 0 HG1 THR A 110 11.394 -5.075 3.383 1.00 0.44 H new ATOM 0 HG21 THR A 110 9.441 -5.525 4.681 1.00 0.41 H new ATOM 0 HG22 THR A 110 8.055 -4.429 4.464 1.00 0.41 H new ATOM 0 HG23 THR A 110 8.498 -5.571 3.172 1.00 0.41 H new ATOM 1539 N ASN A 111 6.733 -2.794 2.986 1.00 0.31 N ATOM 1540 CA ASN A 111 5.586 -2.178 3.641 1.00 0.33 C ATOM 1541 C ASN A 111 5.096 -3.053 4.791 1.00 0.31 C ATOM 1542 O ASN A 111 5.089 -4.280 4.688 1.00 0.32 O ATOM 1543 CB ASN A 111 4.460 -1.952 2.629 1.00 0.39 C ATOM 1544 CG ASN A 111 3.281 -1.218 3.233 1.00 1.15 C ATOM 1545 OD1 ASN A 111 3.236 0.011 3.236 1.00 1.89 O ATOM 1546 ND2 ASN A 111 2.316 -1.971 3.746 1.00 1.95 N ATOM 0 H ASN A 111 6.521 -3.660 2.491 1.00 0.31 H new ATOM 0 HA ASN A 111 5.893 -1.214 4.047 1.00 0.33 H new ATOM 0 HB2 ASN A 111 4.844 -1.383 1.783 1.00 0.39 H new ATOM 0 HB3 ASN A 111 4.126 -2.914 2.240 1.00 0.39 H new ATOM 0 HD21 ASN A 111 1.495 -1.533 4.164 1.00 1.95 H new ATOM 0 HD22 ASN A 111 2.395 -2.988 3.722 1.00 1.95 H new ATOM 1551 N THR A 112 4.687 -2.419 5.889 1.00 0.31 N ATOM 1552 CA THR A 112 4.209 -3.151 7.059 1.00 0.30 C ATOM 1553 C THR A 112 2.763 -2.800 7.395 1.00 0.30 C ATOM 1554 O THR A 112 2.447 -1.647 7.687 1.00 0.32 O ATOM 1555 CB THR A 112 5.082 -2.865 8.296 1.00 0.32 C ATOM 1556 OG1 THR A 112 6.457 -2.749 7.912 1.00 0.47 O ATOM 1557 CG2 THR A 112 4.933 -3.975 9.326 1.00 0.57 C ATOM 0 H THR A 112 4.677 -1.404 5.992 1.00 0.31 H new ATOM 0 HA THR A 112 4.271 -4.209 6.803 1.00 0.30 H new ATOM 0 HB THR A 112 4.750 -1.926 8.739 1.00 0.32 H new ATOM 0 HG1 THR A 112 6.610 -1.871 7.505 1.00 0.47 H new ATOM 0 HG21 THR A 112 5.557 -3.754 10.192 1.00 0.57 H new ATOM 0 HG22 THR A 112 3.891 -4.044 9.638 1.00 0.57 H new ATOM 0 HG23 THR A 112 5.244 -4.923 8.887 1.00 0.57 H new ATOM 1562 N MET A 113 1.891 -3.802 7.346 1.00 0.31 N ATOM 1563 CA MET A 113 0.480 -3.612 7.669 1.00 0.33 C ATOM 1564 C MET A 113 0.057 -4.574 8.772 1.00 0.33 C ATOM 1565 O MET A 113 0.170 -5.791 8.621 1.00 0.35 O ATOM 1566 CB MET A 113 -0.395 -3.817 6.431 1.00 0.36 C ATOM 1567 CG MET A 113 -0.294 -2.685 5.422 1.00 0.45 C ATOM 1568 SD MET A 113 -1.398 -2.907 4.016 1.00 0.55 S ATOM 1569 CE MET A 113 -1.080 -1.404 3.095 1.00 1.51 C ATOM 0 H MET A 113 2.137 -4.757 7.085 1.00 0.31 H new ATOM 0 HA MET A 113 0.346 -2.588 8.019 1.00 0.33 H new ATOM 0 HB2 MET A 113 -0.111 -4.751 5.946 1.00 0.36 H new ATOM 0 HB3 MET A 113 -1.434 -3.923 6.744 1.00 0.36 H new ATOM 0 HG2 MET A 113 -0.527 -1.742 5.916 1.00 0.45 H new ATOM 0 HG3 MET A 113 0.733 -2.613 5.064 1.00 0.45 H new ATOM 0 HE1 MET A 113 -1.854 -1.270 2.339 1.00 1.51 H new ATOM 0 HE2 MET A 113 -1.086 -0.552 3.775 1.00 1.51 H new ATOM 0 HE3 MET A 113 -0.107 -1.474 2.610 1.00 1.51 H new ATOM 1579 N THR A 114 -0.428 -4.028 9.882 1.00 0.34 N ATOM 1580 CA THR A 114 -0.858 -4.850 11.006 1.00 0.35 C ATOM 1581 C THR A 114 -2.283 -4.514 11.429 1.00 0.39 C ATOM 1582 O THR A 114 -2.588 -3.370 11.770 1.00 0.43 O ATOM 1583 CB THR A 114 0.079 -4.676 12.219 1.00 0.42 C ATOM 1584 OG1 THR A 114 1.423 -5.011 11.854 1.00 0.54 O ATOM 1585 CG2 THR A 114 -0.367 -5.553 13.380 1.00 0.56 C ATOM 0 H THR A 114 -0.533 -3.024 10.027 1.00 0.34 H new ATOM 0 HA THR A 114 -0.820 -5.886 10.668 1.00 0.35 H new ATOM 0 HB THR A 114 0.036 -3.633 12.533 1.00 0.42 H new ATOM 0 HG1 THR A 114 2.011 -4.896 12.630 1.00 0.54 H new ATOM 0 HG21 THR A 114 0.310 -5.412 14.223 1.00 0.56 H new ATOM 0 HG22 THR A 114 -1.379 -5.277 13.677 1.00 0.56 H new ATOM 0 HG23 THR A 114 -0.352 -6.599 13.073 1.00 0.56 H new ATOM 1590 N LEU A 115 -3.150 -5.521 11.407 1.00 0.42 N ATOM 1591 CA LEU A 115 -4.544 -5.342 11.796 1.00 0.50 C ATOM 1592 C LEU A 115 -4.936 -6.393 12.828 1.00 0.60 C ATOM 1593 O LEU A 115 -4.965 -7.587 12.528 1.00 0.67 O ATOM 1594 CB LEU A 115 -5.453 -5.436 10.567 1.00 0.56 C ATOM 1595 CG LEU A 115 -6.899 -4.996 10.784 1.00 1.04 C ATOM 1596 CD1 LEU A 115 -7.504 -4.490 9.486 1.00 1.80 C ATOM 1597 CD2 LEU A 115 -7.732 -6.139 11.345 1.00 1.85 C ATOM 0 H LEU A 115 -2.911 -6.471 11.123 1.00 0.42 H new ATOM 0 HA LEU A 115 -4.663 -4.354 12.240 1.00 0.50 H new ATOM 0 HB2 LEU A 115 -5.022 -4.829 9.771 1.00 0.56 H new ATOM 0 HB3 LEU A 115 -5.454 -6.468 10.216 1.00 0.56 H new ATOM 0 HG LEU A 115 -6.900 -4.181 11.508 1.00 1.04 H new ATOM 0 HD11 LEU A 115 -8.535 -4.181 9.661 1.00 1.80 H new ATOM 0 HD12 LEU A 115 -6.927 -3.640 9.123 1.00 1.80 H new ATOM 0 HD13 LEU A 115 -7.485 -5.286 8.741 1.00 1.80 H new ATOM 0 HD21 LEU A 115 -8.759 -5.803 11.492 1.00 1.85 H new ATOM 0 HD22 LEU A 115 -7.720 -6.975 10.646 1.00 1.85 H new ATOM 0 HD23 LEU A 115 -7.315 -6.459 12.300 1.00 1.85 H new ATOM 1603 N GLY A 116 -5.247 -5.941 14.038 1.00 0.69 N ATOM 1604 CA GLY A 116 -5.626 -6.858 15.098 1.00 0.84 C ATOM 1605 C GLY A 116 -4.438 -7.631 15.639 1.00 0.93 C ATOM 1606 O GLY A 116 -3.966 -7.363 16.744 1.00 1.80 O ATOM 0 H GLY A 116 -5.244 -4.956 14.304 1.00 0.69 H new ATOM 0 HA2 GLY A 116 -6.094 -6.300 15.909 1.00 0.84 H new ATOM 0 HA3 GLY A 116 -6.372 -7.558 14.721 1.00 0.84 H new ATOM 1610 N ASP A 117 -3.954 -8.591 14.855 1.00 0.53 N ATOM 1611 CA ASP A 117 -2.813 -9.408 15.253 1.00 0.54 C ATOM 1612 C ASP A 117 -2.229 -10.140 14.048 1.00 0.50 C ATOM 1613 O ASP A 117 -1.470 -11.099 14.196 1.00 0.56 O ATOM 1614 CB ASP A 117 -3.231 -10.418 16.324 1.00 0.61 C ATOM 1615 CG ASP A 117 -4.267 -11.402 15.818 1.00 1.52 C ATOM 1616 OD1 ASP A 117 -5.475 -11.098 15.922 1.00 2.14 O ATOM 1617 OD2 ASP A 117 -3.873 -12.477 15.318 1.00 2.23 O ATOM 0 H ASP A 117 -4.336 -8.822 13.938 1.00 0.53 H new ATOM 0 HA ASP A 117 -2.049 -8.749 15.665 1.00 0.54 H new ATOM 0 HB2 ASP A 117 -2.352 -10.964 16.667 1.00 0.61 H new ATOM 0 HB3 ASP A 117 -3.631 -9.884 17.186 1.00 0.61 H new ATOM 1622 N ILE A 118 -2.584 -9.673 12.854 1.00 0.45 N ATOM 1623 CA ILE A 118 -2.103 -10.279 11.618 1.00 0.45 C ATOM 1624 C ILE A 118 -1.033 -9.405 10.968 1.00 0.38 C ATOM 1625 O ILE A 118 -1.167 -8.183 10.914 1.00 0.37 O ATOM 1626 CB ILE A 118 -3.256 -10.498 10.621 1.00 0.50 C ATOM 1627 CG1 ILE A 118 -4.530 -10.899 11.367 1.00 0.53 C ATOM 1628 CG2 ILE A 118 -2.875 -11.566 9.609 1.00 0.61 C ATOM 1629 CD1 ILE A 118 -5.735 -11.065 10.471 1.00 0.83 C ATOM 0 H ILE A 118 -3.204 -8.875 12.717 1.00 0.45 H new ATOM 0 HA ILE A 118 -1.671 -11.246 11.876 1.00 0.45 H new ATOM 0 HB ILE A 118 -3.445 -9.566 10.089 1.00 0.50 H new ATOM 0 HG12 ILE A 118 -4.351 -11.835 11.896 1.00 0.53 H new ATOM 0 HG13 ILE A 118 -4.751 -10.144 12.121 1.00 0.53 H new ATOM 0 HG21 ILE A 118 -3.697 -11.713 8.909 1.00 0.61 H new ATOM 0 HG22 ILE A 118 -1.986 -11.250 9.064 1.00 0.61 H new ATOM 0 HG23 ILE A 118 -2.668 -12.502 10.128 1.00 0.61 H new ATOM 0 HD11 ILE A 118 -6.599 -11.350 11.072 1.00 0.83 H new ATOM 0 HD12 ILE A 118 -5.942 -10.124 9.961 1.00 0.83 H new ATOM 0 HD13 ILE A 118 -5.535 -11.841 9.733 1.00 0.83 H new ATOM 1633 N VAL A 119 0.028 -10.037 10.473 1.00 0.40 N ATOM 1634 CA VAL A 119 1.127 -9.310 9.846 1.00 0.36 C ATOM 1635 C VAL A 119 1.111 -9.432 8.329 1.00 0.35 C ATOM 1636 O VAL A 119 0.883 -10.507 7.777 1.00 0.38 O ATOM 1637 CB VAL A 119 2.490 -9.786 10.383 1.00 0.40 C ATOM 1638 CG1 VAL A 119 2.737 -11.242 10.017 1.00 1.35 C ATOM 1639 CG2 VAL A 119 3.611 -8.896 9.869 1.00 1.31 C ATOM 0 H VAL A 119 0.150 -11.050 10.494 1.00 0.40 H new ATOM 0 HA VAL A 119 0.984 -8.261 10.104 1.00 0.36 H new ATOM 0 HB VAL A 119 2.473 -9.712 11.470 1.00 0.40 H new ATOM 0 HG11 VAL A 119 3.705 -11.556 10.407 1.00 1.35 H new ATOM 0 HG12 VAL A 119 1.953 -11.864 10.449 1.00 1.35 H new ATOM 0 HG13 VAL A 119 2.730 -11.351 8.932 1.00 1.35 H new ATOM 0 HG21 VAL A 119 4.565 -9.250 10.260 1.00 1.31 H new ATOM 0 HG22 VAL A 119 3.631 -8.929 8.780 1.00 1.31 H new ATOM 0 HG23 VAL A 119 3.442 -7.871 10.198 1.00 1.31 H new ATOM 1643 N TYR A 120 1.362 -8.306 7.668 1.00 0.38 N ATOM 1644 CA TYR A 120 1.394 -8.251 6.214 1.00 0.38 C ATOM 1645 C TYR A 120 2.661 -7.534 5.755 1.00 0.37 C ATOM 1646 O TYR A 120 2.878 -6.369 6.089 1.00 0.41 O ATOM 1647 CB TYR A 120 0.150 -7.519 5.699 1.00 0.43 C ATOM 1648 CG TYR A 120 -0.025 -7.560 4.197 1.00 0.67 C ATOM 1649 CD1 TYR A 120 0.626 -6.651 3.371 1.00 0.96 C ATOM 1650 CD2 TYR A 120 -0.854 -8.506 3.608 1.00 0.77 C ATOM 1651 CE1 TYR A 120 0.455 -6.686 2.000 1.00 1.28 C ATOM 1652 CE2 TYR A 120 -1.031 -8.545 2.238 1.00 1.08 C ATOM 1653 CZ TYR A 120 -0.374 -7.633 1.439 1.00 1.32 C ATOM 1654 OH TYR A 120 -0.548 -7.668 0.074 1.00 1.67 O ATOM 0 H TYR A 120 1.548 -7.412 8.123 1.00 0.38 H new ATOM 0 HA TYR A 120 1.398 -9.264 5.811 1.00 0.38 H new ATOM 0 HB2 TYR A 120 -0.732 -7.955 6.167 1.00 0.43 H new ATOM 0 HB3 TYR A 120 0.198 -6.478 6.018 1.00 0.43 H new ATOM 0 HD1 TYR A 120 1.275 -5.906 3.807 1.00 0.96 H new ATOM 0 HD2 TYR A 120 -1.369 -9.223 4.231 1.00 0.77 H new ATOM 0 HE1 TYR A 120 0.969 -5.974 1.371 1.00 1.28 H new ATOM 0 HE2 TYR A 120 -1.680 -9.286 1.795 1.00 1.08 H new ATOM 0 HH TYR A 120 -0.801 -8.574 -0.200 1.00 1.67 H new ATOM 1664 N LYS A 121 3.494 -8.230 4.988 1.00 0.35 N ATOM 1665 CA LYS A 121 4.740 -7.651 4.498 1.00 0.36 C ATOM 1666 C LYS A 121 4.865 -7.801 2.985 1.00 0.35 C ATOM 1667 O LYS A 121 4.704 -8.894 2.445 1.00 0.36 O ATOM 1668 CB LYS A 121 5.940 -8.318 5.174 1.00 0.39 C ATOM 1669 CG LYS A 121 5.924 -8.227 6.690 1.00 0.91 C ATOM 1670 CD LYS A 121 7.134 -8.900 7.295 1.00 1.08 C ATOM 1671 CE LYS A 121 6.886 -9.321 8.733 1.00 1.35 C ATOM 1672 NZ LYS A 121 6.637 -8.150 9.621 1.00 2.05 N ATOM 0 H LYS A 121 3.330 -9.193 4.693 1.00 0.35 H new ATOM 0 HA LYS A 121 4.726 -6.589 4.742 1.00 0.36 H new ATOM 0 HB2 LYS A 121 5.970 -9.368 4.884 1.00 0.39 H new ATOM 0 HB3 LYS A 121 6.856 -7.858 4.802 1.00 0.39 H new ATOM 0 HG2 LYS A 121 5.898 -7.180 6.993 1.00 0.91 H new ATOM 0 HG3 LYS A 121 5.016 -8.692 7.074 1.00 0.91 H new ATOM 0 HD2 LYS A 121 7.398 -9.775 6.701 1.00 1.08 H new ATOM 0 HD3 LYS A 121 7.985 -8.220 7.257 1.00 1.08 H new ATOM 0 HE2 LYS A 121 6.030 -9.994 8.771 1.00 1.35 H new ATOM 0 HE3 LYS A 121 7.747 -9.879 9.101 1.00 1.35 H new ATOM 0 HZ1 LYS A 121 6.422 -8.483 10.583 1.00 2.05 H new ATOM 0 HZ2 LYS A 121 7.483 -7.546 9.645 1.00 2.05 H new ATOM 0 HZ3 LYS A 121 5.831 -7.603 9.256 1.00 2.05 H new ATOM 1686 N ARG A 122 5.160 -6.694 2.311 1.00 0.35 N ATOM 1687 CA ARG A 122 5.325 -6.701 0.862 1.00 0.36 C ATOM 1688 C ARG A 122 6.778 -6.422 0.495 1.00 0.34 C ATOM 1689 O ARG A 122 7.334 -5.387 0.864 1.00 0.36 O ATOM 1690 CB ARG A 122 4.398 -5.665 0.214 1.00 0.39 C ATOM 1691 CG ARG A 122 4.868 -5.171 -1.145 1.00 0.73 C ATOM 1692 CD ARG A 122 3.882 -4.182 -1.748 1.00 0.64 C ATOM 1693 NE ARG A 122 3.573 -3.088 -0.829 1.00 1.23 N ATOM 1694 CZ ARG A 122 2.837 -2.030 -1.158 1.00 1.44 C ATOM 1695 NH1 ARG A 122 2.350 -1.912 -2.387 1.00 1.14 N ATOM 1696 NH2 ARG A 122 2.589 -1.087 -0.260 1.00 2.32 N ATOM 0 H ARG A 122 5.290 -5.780 2.745 1.00 0.35 H new ATOM 0 HA ARG A 122 5.056 -7.687 0.485 1.00 0.36 H new ATOM 0 HB2 ARG A 122 3.405 -6.100 0.106 1.00 0.39 H new ATOM 0 HB3 ARG A 122 4.301 -4.811 0.885 1.00 0.39 H new ATOM 0 HG2 ARG A 122 5.845 -4.697 -1.044 1.00 0.73 H new ATOM 0 HG3 ARG A 122 4.993 -6.019 -1.819 1.00 0.73 H new ATOM 0 HD2 ARG A 122 4.295 -3.775 -2.671 1.00 0.64 H new ATOM 0 HD3 ARG A 122 2.962 -4.703 -2.014 1.00 0.64 H new ATOM 0 HE ARG A 122 3.943 -3.139 0.120 1.00 1.23 H new ATOM 0 HH11 ARG A 122 2.540 -2.634 -3.082 1.00 1.14 H new ATOM 0 HH12 ARG A 122 1.786 -1.100 -2.636 1.00 1.14 H new ATOM 0 HH21 ARG A 122 2.963 -1.172 0.685 1.00 2.32 H new ATOM 0 HH22 ARG A 122 2.024 -0.276 -0.514 1.00 2.32 H new ATOM 1710 N VAL A 123 7.387 -7.352 -0.234 1.00 0.32 N ATOM 1711 CA VAL A 123 8.775 -7.208 -0.652 1.00 0.32 C ATOM 1712 C VAL A 123 8.859 -6.812 -2.121 1.00 0.30 C ATOM 1713 O VAL A 123 8.373 -7.530 -2.993 1.00 0.33 O ATOM 1714 CB VAL A 123 9.566 -8.513 -0.434 1.00 0.36 C ATOM 1715 CG1 VAL A 123 11.041 -8.305 -0.745 1.00 0.41 C ATOM 1716 CG2 VAL A 123 9.380 -9.021 0.987 1.00 0.40 C ATOM 0 H VAL A 123 6.940 -8.214 -0.547 1.00 0.32 H new ATOM 0 HA VAL A 123 9.216 -6.422 -0.038 1.00 0.32 H new ATOM 0 HB VAL A 123 9.178 -9.268 -1.118 1.00 0.36 H new ATOM 0 HG11 VAL A 123 11.582 -9.238 -0.585 1.00 0.41 H new ATOM 0 HG12 VAL A 123 11.154 -7.994 -1.784 1.00 0.41 H new ATOM 0 HG13 VAL A 123 11.446 -7.534 -0.090 1.00 0.41 H new ATOM 0 HG21 VAL A 123 9.946 -9.943 1.121 1.00 0.40 H new ATOM 0 HG22 VAL A 123 9.737 -8.270 1.692 1.00 0.40 H new ATOM 0 HG23 VAL A 123 8.323 -9.215 1.169 1.00 0.40 H new ATOM 1720 N SER A 124 9.476 -5.666 -2.389 1.00 0.30 N ATOM 1721 CA SER A 124 9.614 -5.180 -3.756 1.00 0.31 C ATOM 1722 C SER A 124 11.047 -4.747 -4.045 1.00 0.32 C ATOM 1723 O SER A 124 11.662 -4.027 -3.257 1.00 0.36 O ATOM 1724 CB SER A 124 8.656 -4.011 -4.003 1.00 0.35 C ATOM 1725 OG SER A 124 8.926 -2.935 -3.121 1.00 1.14 O ATOM 0 H SER A 124 9.887 -5.059 -1.680 1.00 0.30 H new ATOM 0 HA SER A 124 9.362 -5.999 -4.430 1.00 0.31 H new ATOM 0 HB2 SER A 124 8.750 -3.672 -5.035 1.00 0.35 H new ATOM 0 HB3 SER A 124 7.627 -4.345 -3.869 1.00 0.35 H new ATOM 0 HG SER A 124 8.986 -3.272 -2.203 1.00 1.14 H new ATOM 1731 N LYS A 125 11.573 -5.194 -5.183 1.00 0.35 N ATOM 1732 CA LYS A 125 12.931 -4.851 -5.584 1.00 0.39 C ATOM 1733 C LYS A 125 12.913 -3.832 -6.719 1.00 0.35 C ATOM 1734 O LYS A 125 12.175 -3.984 -7.693 1.00 0.38 O ATOM 1735 CB LYS A 125 13.692 -6.109 -6.011 1.00 0.52 C ATOM 1736 CG LYS A 125 13.030 -6.870 -7.146 1.00 0.88 C ATOM 1737 CD LYS A 125 13.728 -6.618 -8.476 1.00 1.37 C ATOM 1738 CE LYS A 125 15.117 -7.237 -8.503 1.00 1.37 C ATOM 1739 NZ LYS A 125 15.793 -7.027 -9.813 1.00 2.04 N ATOM 0 H LYS A 125 11.078 -5.794 -5.842 1.00 0.35 H new ATOM 0 HA LYS A 125 13.442 -4.406 -4.730 1.00 0.39 H new ATOM 0 HB2 LYS A 125 14.700 -5.827 -6.315 1.00 0.52 H new ATOM 0 HB3 LYS A 125 13.792 -6.772 -5.151 1.00 0.52 H new ATOM 0 HG2 LYS A 125 13.043 -7.937 -6.925 1.00 0.88 H new ATOM 0 HG3 LYS A 125 11.984 -6.573 -7.222 1.00 0.88 H new ATOM 0 HD2 LYS A 125 13.128 -7.032 -9.287 1.00 1.37 H new ATOM 0 HD3 LYS A 125 13.803 -5.545 -8.651 1.00 1.37 H new ATOM 0 HE2 LYS A 125 15.723 -6.803 -7.708 1.00 1.37 H new ATOM 0 HE3 LYS A 125 15.042 -8.305 -8.300 1.00 1.37 H new ATOM 0 HZ1 LYS A 125 16.684 -7.562 -9.833 1.00 2.04 H new ATOM 0 HZ2 LYS A 125 15.173 -7.357 -10.580 1.00 2.04 H new ATOM 0 HZ3 LYS A 125 15.994 -6.015 -9.941 1.00 2.04 H new ATOM 1753 N ARG A 126 13.730 -2.792 -6.586 1.00 0.37 N ATOM 1754 CA ARG A 126 13.802 -1.743 -7.597 1.00 0.40 C ATOM 1755 C ARG A 126 14.483 -2.251 -8.865 1.00 0.44 C ATOM 1756 O ARG A 126 15.419 -3.050 -8.803 1.00 0.52 O ATOM 1757 CB ARG A 126 14.553 -0.528 -7.048 1.00 0.51 C ATOM 1758 CG ARG A 126 14.559 0.660 -7.994 1.00 0.63 C ATOM 1759 CD ARG A 126 15.277 1.853 -7.383 1.00 1.14 C ATOM 1760 NE ARG A 126 16.683 1.565 -7.116 1.00 1.70 N ATOM 1761 CZ ARG A 126 17.575 2.489 -6.772 1.00 2.27 C ATOM 1762 NH1 ARG A 126 17.207 3.758 -6.651 1.00 2.51 N ATOM 1763 NH2 ARG A 126 18.836 2.144 -6.551 1.00 3.09 N ATOM 0 H ARG A 126 14.351 -2.653 -5.789 1.00 0.37 H new ATOM 0 HA ARG A 126 12.784 -1.447 -7.851 1.00 0.40 H new ATOM 0 HB2 ARG A 126 14.100 -0.227 -6.103 1.00 0.51 H new ATOM 0 HB3 ARG A 126 15.582 -0.815 -6.831 1.00 0.51 H new ATOM 0 HG2 ARG A 126 15.045 0.380 -8.928 1.00 0.63 H new ATOM 0 HG3 ARG A 126 13.534 0.937 -8.239 1.00 0.63 H new ATOM 0 HD2 ARG A 126 15.203 2.706 -8.058 1.00 1.14 H new ATOM 0 HD3 ARG A 126 14.782 2.138 -6.454 1.00 1.14 H new ATOM 0 HE ARG A 126 16.999 0.599 -7.198 1.00 1.70 H new ATOM 0 HH11 ARG A 126 16.238 4.027 -6.822 1.00 2.51 H new ATOM 0 HH12 ARG A 126 17.893 4.465 -6.387 1.00 2.51 H new ATOM 0 HH21 ARG A 126 19.122 1.169 -6.645 1.00 3.09 H new ATOM 0 HH22 ARG A 126 19.520 2.853 -6.287 1.00 3.09 H new ATOM 1777 N ILE A 127 14.004 -1.781 -10.012 1.00 0.48 N ATOM 1778 CA ILE A 127 14.562 -2.182 -11.299 1.00 0.58 C ATOM 1779 C ILE A 127 14.778 -0.974 -12.206 1.00 0.75 C ATOM 1780 O ILE A 127 15.769 -0.257 -12.078 1.00 1.31 O ATOM 1781 CB ILE A 127 13.649 -3.193 -12.019 1.00 0.76 C ATOM 1782 CG1 ILE A 127 12.232 -2.625 -12.157 1.00 0.82 C ATOM 1783 CG2 ILE A 127 13.628 -4.516 -11.266 1.00 1.23 C ATOM 1784 CD1 ILE A 127 11.311 -3.482 -12.999 1.00 1.21 C ATOM 0 H ILE A 127 13.229 -1.121 -10.077 1.00 0.48 H new ATOM 0 HA ILE A 127 15.522 -2.655 -11.092 1.00 0.58 H new ATOM 0 HB ILE A 127 14.045 -3.374 -13.018 1.00 0.76 H new ATOM 0 HG12 ILE A 127 11.798 -2.509 -11.164 1.00 0.82 H new ATOM 0 HG13 ILE A 127 12.291 -1.630 -12.597 1.00 0.82 H new ATOM 0 HG21 ILE A 127 12.979 -5.220 -11.786 1.00 1.23 H new ATOM 0 HG22 ILE A 127 14.638 -4.922 -11.216 1.00 1.23 H new ATOM 0 HG23 ILE A 127 13.252 -4.354 -10.256 1.00 1.23 H new ATOM 0 HD11 ILE A 127 10.327 -3.016 -13.051 1.00 1.21 H new ATOM 0 HD12 ILE A 127 11.721 -3.577 -14.004 1.00 1.21 H new ATOM 0 HD13 ILE A 127 11.221 -4.471 -12.549 1.00 1.21 H new