USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1195 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 104 GLN :FLIP amide:sc= -0.72 F(o=-2.8!,f=-1) USER MOD Set 1.2: A 152 ASN : amide:sc= -0.328 X(o=-1,f=-1.2) USER MOD Set 2.1: A 8 ASN : amide:sc= 0.343 X(o=-0.86,f=-0.55) USER MOD Set 2.2: A 27 THR OG1 : rot 12:sc= -0.25 USER MOD Set 2.3: A 71 MET CE :methyl -119:sc= -0.957 (180deg=-0.562) USER MOD Set 3.1: A 55 GLN : amide:sc= 1.57 K(o=2.7,f=-9.2!) USER MOD Set 3.2: A 80 ASN : amide:sc= 1.17 K(o=2.7,f=0.42) USER MOD Set 4.1: A 44 TYR OH : rot 168:sc= 1 USER MOD Set 4.2: A 93 THR OG1 : rot 130:sc= 1.19 USER MOD Set 4.3: A 115 ASN : amide:sc= -1.54! C(o=0.65!,f=-2.3!) USER MOD Set 5.1: A 23 GLN : amide:sc= -1.47! X(o=-1.3!,f=-1.4) USER MOD Set 5.2: A 75 GLN :FLIP amide:sc= 0.125 X(o=-1.4!,f=-1.3) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc= 2.4 (180deg=-0.114) USER MOD Single : A 5 GLN : amide:sc= 0.368 K(o=0.37,f=-0.56) USER MOD Single : A 7 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 14 ASN : amide:sc= -3.14! C(o=-3.1!,f=-14!) USER MOD Single : A 16 SER OG : rot 134:sc= 0.662 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -1.86! C(o=-3.4!,f=-1.9!) USER MOD Single : A 30 CYS SG : rot -76:sc= -1.1 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 34:sc= -0.739! USER MOD Single : A 50 SER OG : rot 177:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 41:sc= 0.0314 USER MOD Single : A 70 HIS : no HD1:sc= -0.316 K(o=-0.32,f=-2.5!) USER MOD Single : A 98 THR OG1 : rot -164:sc= 1.11 USER MOD Single : A 99 CYS SG : rot -86:sc= 0.569 USER MOD Single : A 100 THR OG1 : rot 131:sc= 1.24 USER MOD Single : A 101 TYR OH : rot 180:sc= 0.631 USER MOD Single : A 111 TYR OH : rot -115:sc= -0.298 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -2.85! C(o=-2.9!,f=-4.2!) USER MOD Single : A 117 TYR OH : rot 180:sc= -4! USER MOD Single : A 118 THR OG1 : rot 79:sc= 1.08 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00127 USER MOD Single : A 125 ASN : amide:sc= 0.0725 X(o=0.072,f=-0.0083) USER MOD Single : A 129 LYS NZ :NH3+ 162:sc= 1.18 (180deg=0.727) USER MOD Single : A 133 SER OG : rot -23:sc= 0.207 USER MOD Single : A 134 LYS NZ :NH3+ 172:sc= 1.06 (180deg=0.941) USER MOD Single : A 136 GLN : amide:sc= -0.484 K(o=-0.48,f=-2.8!) USER MOD Single : A 138 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 142 SER OG : rot -40:sc= 0.268 USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.631 USER MOD Single : A 150 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -21.513 0.436 5.828 1.00 0.91 N ATOM 19 CA ALA A 2 -20.255 -0.025 5.279 1.00 0.66 C ATOM 20 C ALA A 2 -20.513 -1.022 4.164 1.00 0.57 C ATOM 21 O ALA A 2 -20.889 -2.161 4.420 1.00 0.68 O ATOM 22 CB ALA A 2 -19.389 -0.643 6.367 1.00 1.48 C ATOM 0 HA ALA A 2 -19.717 0.828 4.867 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.448 -0.983 5.934 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -19.186 0.101 7.137 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -19.912 -1.490 6.810 1.00 1.48 H new ATOM 28 N LYS A 3 -20.348 -0.587 2.924 1.00 0.46 N ATOM 29 CA LYS A 3 -20.544 -1.478 1.792 1.00 0.45 C ATOM 30 C LYS A 3 -19.326 -2.361 1.590 1.00 0.35 C ATOM 31 O LYS A 3 -19.409 -3.384 0.933 1.00 0.36 O ATOM 32 CB LYS A 3 -20.853 -0.707 0.499 1.00 0.54 C ATOM 33 CG LYS A 3 -22.202 -0.004 0.510 1.00 0.82 C ATOM 34 CD LYS A 3 -22.105 1.392 1.090 1.00 0.81 C ATOM 35 CE LYS A 3 -23.387 1.814 1.791 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.584 1.744 0.916 1.00 0.98 N ATOM 0 H LYS A 3 -20.082 0.366 2.678 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.407 -2.103 2.022 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -20.070 0.033 0.332 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -20.822 -1.400 -0.342 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.591 0.051 -0.507 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.913 -0.591 1.092 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -21.276 1.433 1.797 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -21.879 2.100 0.293 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -23.544 1.177 2.661 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.273 2.834 2.159 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.170 2.591 1.061 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -24.285 1.696 -0.079 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -25.137 0.896 1.152 1.00 0.98 H new ATOM 50 N VAL A 4 -18.200 -1.976 2.174 1.00 0.32 N ATOM 51 CA VAL A 4 -16.965 -2.728 2.019 1.00 0.29 C ATOM 52 C VAL A 4 -16.188 -2.773 3.325 1.00 0.33 C ATOM 53 O VAL A 4 -15.906 -1.743 3.935 1.00 0.45 O ATOM 54 CB VAL A 4 -16.073 -2.142 0.896 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.616 -2.547 1.076 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.566 -2.608 -0.462 1.00 0.27 C ATOM 0 H VAL A 4 -18.117 -1.146 2.760 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.244 -3.743 1.737 1.00 0.29 H new ATOM 0 HB VAL A 4 -16.137 -1.055 0.955 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -14.017 -2.119 0.272 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.252 -2.178 2.035 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.535 -3.634 1.051 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -15.931 -2.189 -1.243 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.529 -3.696 -0.509 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.593 -2.273 -0.611 1.00 0.27 H new ATOM 66 N GLN A 5 -15.870 -3.981 3.755 1.00 0.30 N ATOM 67 CA GLN A 5 -15.055 -4.186 4.934 1.00 0.34 C ATOM 68 C GLN A 5 -13.958 -5.198 4.625 1.00 0.31 C ATOM 69 O GLN A 5 -14.226 -6.384 4.437 1.00 0.32 O ATOM 70 CB GLN A 5 -15.932 -4.657 6.099 1.00 0.41 C ATOM 71 CG GLN A 5 -15.178 -4.977 7.383 1.00 0.72 C ATOM 72 CD GLN A 5 -14.333 -3.822 7.896 1.00 0.81 C ATOM 73 OE1 GLN A 5 -14.811 -2.964 8.641 1.00 1.33 O ATOM 74 NE2 GLN A 5 -13.058 -3.814 7.537 1.00 1.39 N ATOM 0 H GLN A 5 -16.169 -4.842 3.298 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.585 -3.247 5.225 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.672 -3.885 6.312 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -16.480 -5.546 5.786 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.894 -5.263 8.153 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -14.534 -5.839 7.211 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -12.698 -4.541 6.919 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -12.436 -3.081 7.879 1.00 1.39 H new ATOM 83 N VAL A 6 -12.729 -4.712 4.524 1.00 0.32 N ATOM 84 CA VAL A 6 -11.583 -5.578 4.288 1.00 0.34 C ATOM 85 C VAL A 6 -11.362 -6.486 5.492 1.00 0.38 C ATOM 86 O VAL A 6 -11.434 -6.037 6.637 1.00 0.60 O ATOM 87 CB VAL A 6 -10.298 -4.758 4.011 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.110 -5.675 3.756 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.505 -3.815 2.833 1.00 1.32 C ATOM 0 H VAL A 6 -12.500 -3.721 4.602 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.797 -6.181 3.405 1.00 0.34 H new ATOM 0 HB VAL A 6 -10.083 -4.162 4.898 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.221 -5.074 3.564 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.941 -6.304 4.630 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.316 -6.305 2.890 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.591 -3.249 2.655 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.752 -4.394 1.943 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.320 -3.127 3.057 1.00 1.32 H new ATOM 99 N ASN A 7 -11.124 -7.762 5.232 1.00 0.32 N ATOM 100 CA ASN A 7 -10.920 -8.731 6.301 1.00 0.36 C ATOM 101 C ASN A 7 -9.528 -9.335 6.216 1.00 0.37 C ATOM 102 O ASN A 7 -8.708 -9.161 7.116 1.00 0.46 O ATOM 103 CB ASN A 7 -11.973 -9.845 6.245 1.00 0.37 C ATOM 104 CG ASN A 7 -13.352 -9.381 6.680 1.00 0.45 C ATOM 105 OD1 ASN A 7 -13.675 -9.386 7.867 1.00 0.96 O ATOM 106 ND2 ASN A 7 -14.182 -8.998 5.724 1.00 0.53 N ATOM 0 H ASN A 7 -11.067 -8.152 4.291 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.023 -8.204 7.250 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.030 -10.232 5.228 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.655 -10.670 6.883 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -15.126 -8.693 5.960 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -13.878 -9.008 4.750 1.00 0.53 H new ATOM 113 N ASN A 8 -9.259 -10.032 5.122 1.00 0.33 N ATOM 114 CA ASN A 8 -7.978 -10.701 4.944 1.00 0.39 C ATOM 115 C ASN A 8 -7.088 -9.885 4.028 1.00 0.39 C ATOM 116 O ASN A 8 -7.368 -9.750 2.842 1.00 0.48 O ATOM 117 CB ASN A 8 -8.173 -12.114 4.377 1.00 0.44 C ATOM 118 CG ASN A 8 -6.860 -12.782 4.005 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.183 -13.362 4.854 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.504 -12.732 2.727 1.00 1.47 N ATOM 0 H ASN A 8 -9.909 -10.149 4.345 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.498 -10.789 5.919 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.693 -12.728 5.113 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.812 -12.063 3.496 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.643 -13.184 2.419 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.092 -12.242 2.053 1.00 1.47 H new ATOM 127 N VAL A 9 -6.032 -9.323 4.576 1.00 0.42 N ATOM 128 CA VAL A 9 -5.102 -8.555 3.777 1.00 0.45 C ATOM 129 C VAL A 9 -3.681 -9.088 3.958 1.00 0.50 C ATOM 130 O VAL A 9 -2.995 -8.803 4.943 1.00 0.60 O ATOM 131 CB VAL A 9 -5.199 -7.043 4.100 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.019 -6.775 5.586 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.201 -6.251 3.271 1.00 1.01 C ATOM 0 H VAL A 9 -5.797 -9.383 5.567 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.370 -8.670 2.727 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.202 -6.709 3.833 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.093 -5.704 5.774 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.795 -7.297 6.146 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.040 -7.132 5.904 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.286 -5.192 3.513 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.190 -6.594 3.493 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.410 -6.399 2.211 1.00 1.01 H new ATOM 143 N VAL A 10 -3.258 -9.894 3.001 1.00 0.52 N ATOM 144 CA VAL A 10 -1.985 -10.574 3.077 1.00 0.61 C ATOM 145 C VAL A 10 -1.005 -9.997 2.066 1.00 0.47 C ATOM 146 O VAL A 10 -1.353 -9.793 0.909 1.00 0.48 O ATOM 147 CB VAL A 10 -2.174 -12.082 2.809 1.00 0.81 C ATOM 148 CG1 VAL A 10 -0.839 -12.792 2.742 1.00 1.54 C ATOM 149 CG2 VAL A 10 -3.061 -12.708 3.873 1.00 1.24 C ATOM 0 H VAL A 10 -3.788 -10.093 2.153 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.581 -10.431 4.079 1.00 0.61 H new ATOM 0 HB VAL A 10 -2.665 -12.194 1.842 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -1.000 -13.853 2.552 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -0.240 -12.366 1.937 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -0.313 -12.669 3.689 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -3.182 -13.771 3.666 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -2.601 -12.579 4.853 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -4.037 -12.223 3.864 1.00 1.24 H new ATOM 159 N VAL A 11 0.207 -9.705 2.506 1.00 0.44 N ATOM 160 CA VAL A 11 1.249 -9.291 1.609 1.00 0.39 C ATOM 161 C VAL A 11 1.994 -10.528 1.122 1.00 0.41 C ATOM 162 O VAL A 11 2.152 -11.498 1.869 1.00 0.52 O ATOM 163 CB VAL A 11 2.220 -8.311 2.301 1.00 0.48 C ATOM 164 CG1 VAL A 11 1.455 -7.237 3.057 1.00 0.81 C ATOM 165 CG2 VAL A 11 3.189 -9.031 3.225 1.00 0.91 C ATOM 0 H VAL A 11 0.485 -9.750 3.486 1.00 0.44 H new ATOM 0 HA VAL A 11 0.807 -8.768 0.761 1.00 0.39 H new ATOM 0 HB VAL A 11 2.809 -7.832 1.519 1.00 0.48 H new ATOM 0 HG11 VAL A 11 2.160 -6.558 3.537 1.00 0.81 H new ATOM 0 HG12 VAL A 11 0.829 -6.678 2.361 1.00 0.81 H new ATOM 0 HG13 VAL A 11 0.827 -7.704 3.816 1.00 0.81 H new ATOM 0 HG21 VAL A 11 3.854 -8.305 3.692 1.00 0.91 H new ATOM 0 HG22 VAL A 11 2.630 -9.560 3.997 1.00 0.91 H new ATOM 0 HG23 VAL A 11 3.778 -9.745 2.650 1.00 0.91 H new ATOM 175 N LEU A 12 2.418 -10.521 -0.125 1.00 0.40 N ATOM 176 CA LEU A 12 3.049 -11.696 -0.695 1.00 0.45 C ATOM 177 C LEU A 12 4.424 -11.361 -1.237 1.00 0.57 C ATOM 178 O LEU A 12 4.719 -10.202 -1.535 1.00 1.18 O ATOM 179 CB LEU A 12 2.190 -12.306 -1.806 1.00 0.50 C ATOM 180 CG LEU A 12 0.735 -12.613 -1.432 1.00 0.55 C ATOM 181 CD1 LEU A 12 -0.135 -11.385 -1.624 1.00 0.92 C ATOM 182 CD2 LEU A 12 0.203 -13.774 -2.252 1.00 1.16 C ATOM 0 H LEU A 12 2.339 -9.725 -0.758 1.00 0.40 H new ATOM 0 HA LEU A 12 3.152 -12.429 0.105 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.191 -11.624 -2.656 1.00 0.50 H new ATOM 0 HB3 LEU A 12 2.663 -13.230 -2.139 1.00 0.50 H new ATOM 0 HG LEU A 12 0.706 -12.896 -0.380 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -1.164 -11.622 -1.354 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.230 -10.578 -0.989 1.00 0.92 H new ATOM 0 HD13 LEU A 12 -0.097 -11.072 -2.667 1.00 0.92 H new ATOM 0 HD21 LEU A 12 -0.831 -13.975 -1.970 1.00 1.16 H new ATOM 0 HD22 LEU A 12 0.248 -13.522 -3.312 1.00 1.16 H new ATOM 0 HD23 LEU A 12 0.809 -14.660 -2.064 1.00 1.16 H new ATOM 194 N ASP A 13 5.255 -12.397 -1.320 1.00 0.84 N ATOM 195 CA ASP A 13 6.612 -12.312 -1.865 1.00 1.01 C ATOM 196 C ASP A 13 7.530 -11.616 -0.871 1.00 0.85 C ATOM 197 O ASP A 13 8.707 -11.408 -1.132 1.00 1.01 O ATOM 198 CB ASP A 13 6.626 -11.593 -3.222 1.00 1.29 C ATOM 199 CG ASP A 13 7.628 -12.194 -4.190 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.251 -13.141 -4.915 1.00 2.73 O ATOM 201 OD2 ASP A 13 8.790 -11.732 -4.243 1.00 2.57 O ATOM 0 H ASP A 13 5.003 -13.334 -1.006 1.00 0.84 H new ATOM 0 HA ASP A 13 6.979 -13.325 -2.031 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.630 -11.636 -3.662 1.00 1.29 H new ATOM 0 HB3 ASP A 13 6.861 -10.540 -3.069 1.00 1.29 H new ATOM 206 N ASN A 14 6.984 -11.314 0.296 1.00 0.68 N ATOM 207 CA ASN A 14 7.711 -10.606 1.342 1.00 0.63 C ATOM 208 C ASN A 14 8.562 -11.573 2.165 1.00 0.57 C ATOM 209 O ASN A 14 8.089 -12.644 2.550 1.00 0.67 O ATOM 210 CB ASN A 14 6.701 -9.917 2.263 1.00 0.78 C ATOM 211 CG ASN A 14 7.346 -9.153 3.402 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.390 -8.528 3.235 1.00 1.88 O ATOM 213 ND2 ASN A 14 6.733 -9.210 4.575 1.00 1.40 N ATOM 0 H ASN A 14 6.024 -11.552 0.547 1.00 0.68 H new ATOM 0 HA ASN A 14 8.371 -9.873 0.879 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.093 -9.231 1.674 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.026 -10.667 2.675 1.00 0.78 H new ATOM 0 HD21 ASN A 14 7.127 -8.724 5.380 1.00 1.40 H new ATOM 0 HD22 ASN A 14 5.867 -9.740 4.673 1.00 1.40 H new ATOM 220 N PRO A 15 9.835 -11.229 2.436 1.00 0.51 N ATOM 221 CA PRO A 15 10.499 -10.036 1.897 1.00 0.45 C ATOM 222 C PRO A 15 11.043 -10.252 0.488 1.00 0.44 C ATOM 223 O PRO A 15 11.482 -11.351 0.139 1.00 0.48 O ATOM 224 CB PRO A 15 11.665 -9.798 2.870 1.00 0.48 C ATOM 225 CG PRO A 15 11.505 -10.818 3.955 1.00 0.57 C ATOM 226 CD PRO A 15 10.723 -11.944 3.350 1.00 0.60 C ATOM 0 HA PRO A 15 9.805 -9.199 1.817 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.625 -9.911 2.366 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.635 -8.787 3.276 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.475 -11.164 4.312 1.00 0.57 H new ATOM 0 HG3 PRO A 15 10.982 -10.396 4.813 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.364 -12.653 2.827 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.170 -12.508 4.101 1.00 0.60 H new ATOM 234 N SER A 16 11.039 -9.193 -0.304 1.00 0.42 N ATOM 235 CA SER A 16 11.486 -9.272 -1.686 1.00 0.47 C ATOM 236 C SER A 16 12.187 -7.981 -2.070 1.00 0.45 C ATOM 237 O SER A 16 11.881 -6.927 -1.513 1.00 0.43 O ATOM 238 CB SER A 16 10.292 -9.495 -2.613 1.00 0.59 C ATOM 239 OG SER A 16 10.689 -9.915 -3.905 1.00 0.77 O ATOM 0 H SER A 16 10.730 -8.265 -0.013 1.00 0.42 H new ATOM 0 HA SER A 16 12.178 -10.109 -1.786 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.630 -10.244 -2.177 1.00 0.59 H new ATOM 0 HB3 SER A 16 9.719 -8.571 -2.693 1.00 0.59 H new ATOM 0 HG SER A 16 10.134 -10.672 -4.188 1.00 0.77 H new ATOM 245 N PRO A 17 13.151 -8.050 -3.000 1.00 0.52 N ATOM 246 CA PRO A 17 13.810 -6.864 -3.549 1.00 0.52 C ATOM 247 C PRO A 17 12.816 -5.788 -3.991 1.00 0.48 C ATOM 248 O PRO A 17 11.668 -6.076 -4.344 1.00 0.58 O ATOM 249 CB PRO A 17 14.577 -7.418 -4.751 1.00 0.60 C ATOM 250 CG PRO A 17 14.875 -8.828 -4.381 1.00 0.83 C ATOM 251 CD PRO A 17 13.700 -9.297 -3.568 1.00 0.63 C ATOM 0 HA PRO A 17 14.441 -6.369 -2.811 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.981 -7.364 -5.662 1.00 0.60 H new ATOM 0 HB3 PRO A 17 15.491 -6.853 -4.934 1.00 0.60 H new ATOM 0 HG2 PRO A 17 15.007 -9.446 -5.269 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.799 -8.894 -3.807 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.965 -9.813 -4.186 1.00 0.63 H new ATOM 0 HD3 PRO A 17 14.005 -9.993 -2.787 1.00 0.63 H new ATOM 259 N PHE A 18 13.284 -4.549 -3.970 1.00 0.41 N ATOM 260 CA PHE A 18 12.474 -3.379 -4.276 1.00 0.37 C ATOM 261 C PHE A 18 11.860 -3.440 -5.677 1.00 0.36 C ATOM 262 O PHE A 18 10.798 -2.867 -5.917 1.00 0.37 O ATOM 263 CB PHE A 18 13.341 -2.124 -4.119 1.00 0.38 C ATOM 264 CG PHE A 18 12.782 -0.897 -4.777 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.818 -0.144 -4.133 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.218 -0.496 -6.027 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.297 0.988 -4.717 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.700 0.637 -6.622 1.00 0.36 C ATOM 269 CZ PHE A 18 11.759 1.359 -6.025 1.00 0.37 C ATOM 0 H PHE A 18 14.251 -4.325 -3.737 1.00 0.41 H new ATOM 0 HA PHE A 18 11.638 -3.350 -3.577 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.477 -1.922 -3.057 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.329 -2.326 -4.534 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.469 -0.448 -3.157 1.00 0.35 H new ATOM 0 HD2 PHE A 18 13.971 -1.075 -6.542 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.557 1.584 -4.203 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.067 0.942 -7.591 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.342 2.223 -6.522 1.00 0.37 H new ATOM 279 N TYR A 19 12.511 -4.142 -6.593 1.00 0.38 N ATOM 280 CA TYR A 19 12.036 -4.199 -7.968 1.00 0.41 C ATOM 281 C TYR A 19 10.840 -5.131 -8.136 1.00 0.44 C ATOM 282 O TYR A 19 10.207 -5.139 -9.191 1.00 0.52 O ATOM 283 CB TYR A 19 13.163 -4.592 -8.921 1.00 0.45 C ATOM 284 CG TYR A 19 13.985 -3.410 -9.387 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.425 -2.147 -9.498 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.333 -3.561 -9.698 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.184 -1.067 -9.911 1.00 0.56 C ATOM 288 CE2 TYR A 19 16.096 -2.486 -10.109 1.00 0.64 C ATOM 289 CZ TYR A 19 15.474 -1.236 -10.273 1.00 0.57 C ATOM 290 OH TYR A 19 16.272 -0.166 -10.619 1.00 0.65 O ATOM 0 H TYR A 19 13.361 -4.675 -6.412 1.00 0.38 H new ATOM 0 HA TYR A 19 11.697 -3.195 -8.223 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.817 -5.309 -8.425 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.738 -5.096 -9.789 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.382 -2.004 -9.259 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.790 -4.536 -9.616 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.742 -0.082 -9.944 1.00 0.56 H new ATOM 0 HE2 TYR A 19 17.152 -2.603 -10.301 1.00 0.64 H new ATOM 0 HH TYR A 19 17.169 -0.487 -10.848 1.00 0.65 H new ATOM 300 N ASN A 20 10.518 -5.906 -7.110 1.00 0.44 N ATOM 301 CA ASN A 20 9.319 -6.725 -7.148 1.00 0.48 C ATOM 302 C ASN A 20 8.115 -5.859 -6.778 1.00 0.42 C ATOM 303 O ASN A 20 8.217 -4.985 -5.918 1.00 0.52 O ATOM 304 CB ASN A 20 9.468 -7.930 -6.207 1.00 0.61 C ATOM 305 CG ASN A 20 8.343 -8.060 -5.199 1.00 1.03 C ATOM 306 OD1 ASN A 20 8.532 -7.465 -4.030 1.00 2.07 O flip ATOM 307 ND2 ASN A 20 7.326 -8.698 -5.460 1.00 0.69 N flip ATOM 0 H ASN A 20 11.064 -5.984 -6.252 1.00 0.44 H new ATOM 0 HA ASN A 20 9.165 -7.120 -8.152 1.00 0.48 H new ATOM 0 HB2 ASN A 20 9.517 -8.841 -6.803 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.415 -7.848 -5.673 1.00 0.61 H new ATOM 0 HD21 ASN A 20 7.222 -9.140 -6.373 1.00 0.69 H new ATOM 0 HD22 ASN A 20 6.586 -8.785 -4.764 1.00 0.69 H new ATOM 314 N PRO A 21 6.975 -6.047 -7.448 1.00 0.41 N ATOM 315 CA PRO A 21 5.775 -5.247 -7.196 1.00 0.38 C ATOM 316 C PRO A 21 5.240 -5.430 -5.777 1.00 0.35 C ATOM 317 O PRO A 21 5.372 -6.501 -5.189 1.00 0.42 O ATOM 318 CB PRO A 21 4.759 -5.776 -8.218 1.00 0.44 C ATOM 319 CG PRO A 21 5.574 -6.493 -9.241 1.00 0.62 C ATOM 320 CD PRO A 21 6.761 -7.042 -8.507 1.00 0.57 C ATOM 0 HA PRO A 21 5.978 -4.180 -7.292 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.039 -6.446 -7.748 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.191 -4.961 -8.667 1.00 0.44 H new ATOM 0 HG2 PRO A 21 4.999 -7.293 -9.708 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.885 -5.817 -10.037 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.561 -8.032 -8.098 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.631 -7.135 -9.157 1.00 0.57 H new ATOM 328 N PHE A 22 4.679 -4.370 -5.210 1.00 0.33 N ATOM 329 CA PHE A 22 3.952 -4.479 -3.957 1.00 0.34 C ATOM 330 C PHE A 22 2.729 -5.350 -4.174 1.00 0.33 C ATOM 331 O PHE A 22 1.721 -4.904 -4.719 1.00 0.41 O ATOM 332 CB PHE A 22 3.542 -3.103 -3.423 1.00 0.37 C ATOM 333 CG PHE A 22 4.635 -2.401 -2.671 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.918 -2.758 -1.363 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.377 -1.391 -3.263 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.923 -2.124 -0.660 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.381 -0.753 -2.563 1.00 0.57 C ATOM 338 CZ PHE A 22 6.654 -1.121 -1.260 1.00 0.58 C ATOM 0 H PHE A 22 4.715 -3.428 -5.599 1.00 0.33 H new ATOM 0 HA PHE A 22 4.604 -4.933 -3.210 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.227 -2.477 -4.258 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.678 -3.219 -2.768 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.346 -3.541 -0.888 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.168 -1.100 -4.282 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.136 -2.413 0.358 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.953 0.033 -3.034 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.440 -0.623 -0.711 1.00 0.58 H new ATOM 348 N GLN A 23 2.856 -6.601 -3.778 1.00 0.31 N ATOM 349 CA GLN A 23 1.844 -7.601 -4.041 1.00 0.34 C ATOM 350 C GLN A 23 0.974 -7.820 -2.811 1.00 0.33 C ATOM 351 O GLN A 23 1.418 -8.385 -1.807 1.00 0.38 O ATOM 352 CB GLN A 23 2.537 -8.892 -4.488 1.00 0.45 C ATOM 353 CG GLN A 23 1.631 -10.101 -4.578 1.00 0.97 C ATOM 354 CD GLN A 23 2.186 -11.158 -5.508 1.00 0.90 C ATOM 355 OE1 GLN A 23 1.883 -11.173 -6.698 1.00 1.41 O ATOM 356 NE2 GLN A 23 3.018 -12.037 -4.980 1.00 1.13 N ATOM 0 H GLN A 23 3.665 -6.952 -3.265 1.00 0.31 H new ATOM 0 HA GLN A 23 1.181 -7.264 -4.838 1.00 0.34 H new ATOM 0 HB2 GLN A 23 2.993 -8.724 -5.464 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.346 -9.113 -3.792 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.496 -10.528 -3.584 1.00 0.97 H new ATOM 0 HG3 GLN A 23 0.646 -9.791 -4.928 1.00 0.97 H new ATOM 0 HE21 GLN A 23 3.245 -11.992 -3.987 1.00 1.13 H new ATOM 0 HE22 GLN A 23 3.434 -12.761 -5.566 1.00 1.13 H new ATOM 365 N PHE A 24 -0.258 -7.340 -2.891 1.00 0.31 N ATOM 366 CA PHE A 24 -1.208 -7.467 -1.799 1.00 0.33 C ATOM 367 C PHE A 24 -2.393 -8.320 -2.220 1.00 0.36 C ATOM 368 O PHE A 24 -2.978 -8.099 -3.272 1.00 0.50 O ATOM 369 CB PHE A 24 -1.725 -6.093 -1.371 1.00 0.31 C ATOM 370 CG PHE A 24 -0.685 -5.196 -0.768 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.345 -5.306 0.568 1.00 0.31 C ATOM 372 CD2 PHE A 24 -0.038 -4.255 -1.546 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.627 -4.491 1.118 1.00 0.31 C ATOM 374 CE2 PHE A 24 0.931 -3.436 -1.005 1.00 0.32 C ATOM 375 CZ PHE A 24 1.212 -3.515 0.367 1.00 0.30 C ATOM 0 H PHE A 24 -0.625 -6.855 -3.710 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.691 -7.940 -0.964 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -2.157 -5.595 -2.239 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.530 -6.231 -0.649 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.844 -6.036 1.188 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.294 -4.160 -2.591 1.00 0.32 H new ATOM 0 HE1 PHE A 24 0.924 -4.628 2.147 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.469 -2.740 -1.632 1.00 0.32 H new ATOM 0 HZ PHE A 24 1.887 -2.808 0.825 1.00 0.30 H new ATOM 385 N GLU A 25 -2.753 -9.281 -1.396 1.00 0.31 N ATOM 386 CA GLU A 25 -3.929 -10.088 -1.651 1.00 0.34 C ATOM 387 C GLU A 25 -5.056 -9.576 -0.776 1.00 0.32 C ATOM 388 O GLU A 25 -5.157 -9.919 0.406 1.00 0.35 O ATOM 389 CB GLU A 25 -3.663 -11.570 -1.383 1.00 0.43 C ATOM 390 CG GLU A 25 -4.788 -12.478 -1.853 1.00 0.97 C ATOM 391 CD GLU A 25 -4.481 -13.942 -1.625 1.00 1.43 C ATOM 392 OE1 GLU A 25 -4.616 -14.410 -0.478 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.107 -14.631 -2.598 1.00 1.98 O ATOM 0 H GLU A 25 -2.248 -9.523 -0.543 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.203 -10.004 -2.703 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.738 -11.862 -1.881 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.510 -11.717 -0.314 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.706 -12.216 -1.327 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.969 -12.308 -2.914 1.00 0.97 H new ATOM 400 N ILE A 26 -5.867 -8.716 -1.353 1.00 0.30 N ATOM 401 CA ILE A 26 -6.889 -8.012 -0.611 1.00 0.30 C ATOM 402 C ILE A 26 -8.218 -8.748 -0.668 1.00 0.29 C ATOM 403 O ILE A 26 -8.839 -8.865 -1.727 1.00 0.32 O ATOM 404 CB ILE A 26 -7.071 -6.586 -1.156 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.740 -5.829 -1.125 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.132 -5.842 -0.355 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.782 -4.501 -1.851 1.00 0.29 C ATOM 0 H ILE A 26 -5.837 -8.486 -2.346 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.561 -7.962 0.427 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.406 -6.649 -2.191 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.453 -5.658 -0.088 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -4.966 -6.453 -1.571 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.249 -4.834 -0.754 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -9.081 -6.373 -0.427 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.826 -5.786 0.690 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.806 -4.021 -1.788 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.038 -4.666 -2.897 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.533 -3.858 -1.391 1.00 0.29 H new ATOM 419 N THR A 27 -8.632 -9.262 0.472 1.00 0.31 N ATOM 420 CA THR A 27 -9.936 -9.869 0.610 1.00 0.30 C ATOM 421 C THR A 27 -10.857 -8.928 1.374 1.00 0.27 C ATOM 422 O THR A 27 -10.738 -8.776 2.596 1.00 0.29 O ATOM 423 CB THR A 27 -9.830 -11.201 1.369 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.746 -11.968 0.835 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.124 -11.996 1.265 1.00 0.34 C ATOM 0 H THR A 27 -8.074 -9.270 1.326 1.00 0.31 H new ATOM 0 HA THR A 27 -10.341 -10.058 -0.384 1.00 0.30 H new ATOM 0 HB THR A 27 -9.648 -10.986 2.422 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.204 -11.403 0.246 1.00 0.46 H new ATOM 0 HG21 THR A 27 -11.020 -12.933 1.811 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.942 -11.416 1.692 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.337 -12.208 0.217 1.00 0.34 H new ATOM 433 N PHE A 28 -11.773 -8.301 0.659 1.00 0.23 N ATOM 434 CA PHE A 28 -12.692 -7.370 1.269 1.00 0.22 C ATOM 435 C PHE A 28 -14.111 -7.851 1.061 1.00 0.21 C ATOM 436 O PHE A 28 -14.473 -8.315 -0.017 1.00 0.20 O ATOM 437 CB PHE A 28 -12.503 -5.959 0.705 1.00 0.21 C ATOM 438 CG PHE A 28 -12.899 -5.782 -0.736 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.070 -6.236 -1.747 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.109 -5.197 -1.079 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.433 -6.108 -3.072 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.479 -5.072 -2.405 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.621 -5.386 -3.389 1.00 0.28 C ATOM 0 H PHE A 28 -11.897 -8.423 -0.346 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.487 -7.322 2.338 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.082 -5.263 1.312 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.455 -5.680 0.813 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.126 -6.697 -1.495 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.768 -4.836 -0.303 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.829 -6.546 -3.853 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.469 -4.718 -2.652 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.828 -5.095 -4.408 1.00 0.28 H new ATOM 453 N GLU A 29 -14.905 -7.746 2.095 1.00 0.22 N ATOM 454 CA GLU A 29 -16.256 -8.248 2.049 1.00 0.23 C ATOM 455 C GLU A 29 -17.225 -7.105 1.840 1.00 0.25 C ATOM 456 O GLU A 29 -17.300 -6.175 2.646 1.00 0.29 O ATOM 457 CB GLU A 29 -16.563 -9.011 3.332 1.00 0.26 C ATOM 458 CG GLU A 29 -17.943 -9.626 3.382 1.00 0.33 C ATOM 459 CD GLU A 29 -18.158 -10.422 4.649 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.484 -9.821 5.691 1.00 0.77 O ATOM 461 OE2 GLU A 29 -17.983 -11.658 4.608 1.00 0.67 O ATOM 0 H GLU A 29 -14.640 -7.317 2.981 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.364 -8.936 1.210 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.822 -9.801 3.456 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.450 -8.333 4.178 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.694 -8.839 3.315 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.083 -10.275 2.517 1.00 0.33 H new ATOM 468 N CYS A 30 -17.925 -7.163 0.728 1.00 0.24 N ATOM 469 CA CYS A 30 -18.907 -6.163 0.395 1.00 0.28 C ATOM 470 C CYS A 30 -20.193 -6.475 1.137 1.00 0.33 C ATOM 471 O CYS A 30 -20.872 -7.456 0.844 1.00 0.35 O ATOM 472 CB CYS A 30 -19.145 -6.134 -1.113 1.00 0.29 C ATOM 473 SG CYS A 30 -19.704 -4.546 -1.757 1.00 0.51 S ATOM 0 H CYS A 30 -17.828 -7.904 0.033 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.547 -5.178 0.694 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -18.220 -6.410 -1.618 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -19.885 -6.894 -1.365 1.00 0.29 H new ATOM 0 HG CYS A 30 -20.959 -4.376 -1.463 1.00 0.51 H new ATOM 479 N ILE A 31 -20.500 -5.651 2.117 1.00 0.39 N ATOM 480 CA ILE A 31 -21.655 -5.863 2.964 1.00 0.45 C ATOM 481 C ILE A 31 -22.922 -5.390 2.251 1.00 0.48 C ATOM 482 O ILE A 31 -24.040 -5.701 2.664 1.00 0.53 O ATOM 483 CB ILE A 31 -21.484 -5.113 4.307 1.00 0.49 C ATOM 484 CG1 ILE A 31 -20.080 -5.362 4.877 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.541 -5.547 5.311 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.794 -4.595 6.152 1.00 0.52 C ATOM 0 H ILE A 31 -19.958 -4.818 2.348 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.745 -6.929 3.172 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.609 -4.046 4.120 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.960 -6.428 5.070 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.339 -5.089 4.126 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.399 -5.005 6.246 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.532 -5.330 4.913 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.451 -6.618 5.495 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.784 -4.822 6.494 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.881 -3.525 5.960 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.511 -4.885 6.920 1.00 0.52 H new ATOM 498 N GLU A 32 -22.739 -4.671 1.149 1.00 0.49 N ATOM 499 CA GLU A 32 -23.861 -4.076 0.426 1.00 0.53 C ATOM 500 C GLU A 32 -23.577 -4.016 -1.068 1.00 0.52 C ATOM 501 O GLU A 32 -22.540 -4.483 -1.530 1.00 0.51 O ATOM 502 CB GLU A 32 -24.148 -2.660 0.932 1.00 0.60 C ATOM 503 CG GLU A 32 -24.750 -2.590 2.326 1.00 0.84 C ATOM 504 CD GLU A 32 -25.013 -1.162 2.757 1.00 1.25 C ATOM 505 OE1 GLU A 32 -25.716 -0.432 2.025 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.536 -0.767 3.842 1.00 1.83 O ATOM 0 H GLU A 32 -21.825 -4.485 0.736 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.731 -4.708 0.603 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.218 -2.091 0.924 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -24.827 -2.171 0.234 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.683 -3.153 2.347 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.075 -3.065 3.037 1.00 0.84 H new ATOM 513 N ASP A 33 -24.511 -3.447 -1.819 1.00 0.62 N ATOM 514 CA ASP A 33 -24.324 -3.226 -3.249 1.00 0.65 C ATOM 515 C ASP A 33 -23.955 -1.766 -3.489 1.00 0.65 C ATOM 516 O ASP A 33 -24.756 -0.870 -3.217 1.00 0.79 O ATOM 517 CB ASP A 33 -25.605 -3.576 -4.011 1.00 0.76 C ATOM 518 CG ASP A 33 -25.409 -3.610 -5.513 1.00 1.44 C ATOM 519 OD1 ASP A 33 -25.012 -4.673 -6.037 1.00 2.18 O ATOM 520 OD2 ASP A 33 -25.668 -2.586 -6.179 1.00 2.01 O ATOM 0 H ASP A 33 -25.411 -3.128 -1.460 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.520 -3.868 -3.610 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.967 -4.548 -3.675 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.377 -2.846 -3.767 1.00 0.76 H new ATOM 525 N LEU A 34 -22.744 -1.512 -3.969 1.00 0.57 N ATOM 526 CA LEU A 34 -22.286 -0.141 -4.127 1.00 0.57 C ATOM 527 C LEU A 34 -22.537 0.378 -5.541 1.00 0.64 C ATOM 528 O LEU A 34 -22.246 -0.297 -6.525 1.00 0.71 O ATOM 529 CB LEU A 34 -20.818 -0.008 -3.713 1.00 0.55 C ATOM 530 CG LEU A 34 -19.812 -0.906 -4.403 1.00 0.81 C ATOM 531 CD1 LEU A 34 -18.987 -0.119 -5.402 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.928 -1.537 -3.344 1.00 1.41 C ATOM 0 H LEU A 34 -22.072 -2.226 -4.251 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.872 0.490 -3.459 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.515 1.026 -3.878 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.753 -0.192 -2.641 1.00 0.55 H new ATOM 0 HG LEU A 34 -20.331 -1.687 -4.958 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -18.271 -0.783 -5.886 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -19.645 0.316 -6.155 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -18.451 0.677 -4.885 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -18.196 -2.188 -3.822 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.410 -0.755 -2.789 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -19.542 -2.122 -2.659 1.00 1.41 H new ATOM 544 N SER A 35 -23.092 1.588 -5.617 1.00 0.75 N ATOM 545 CA SER A 35 -23.535 2.174 -6.879 1.00 0.89 C ATOM 546 C SER A 35 -22.365 2.642 -7.746 1.00 0.75 C ATOM 547 O SER A 35 -22.335 2.396 -8.954 1.00 0.92 O ATOM 548 CB SER A 35 -24.451 3.362 -6.587 1.00 1.14 C ATOM 549 OG SER A 35 -25.357 3.069 -5.534 1.00 1.55 O ATOM 0 H SER A 35 -23.246 2.187 -4.806 1.00 0.75 H new ATOM 0 HA SER A 35 -24.067 1.400 -7.433 1.00 0.89 H new ATOM 0 HB2 SER A 35 -23.849 4.231 -6.320 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.008 3.624 -7.486 1.00 1.14 H new ATOM 0 HG SER A 35 -25.929 3.847 -5.368 1.00 1.55 H new ATOM 555 N GLU A 36 -21.412 3.328 -7.133 1.00 0.61 N ATOM 556 CA GLU A 36 -20.308 3.912 -7.880 1.00 0.51 C ATOM 557 C GLU A 36 -19.205 2.878 -8.048 1.00 0.44 C ATOM 558 O GLU A 36 -19.360 1.738 -7.623 1.00 0.53 O ATOM 559 CB GLU A 36 -19.779 5.150 -7.152 1.00 0.63 C ATOM 560 CG GLU A 36 -19.407 6.286 -8.088 1.00 1.48 C ATOM 561 CD GLU A 36 -20.582 6.731 -8.934 1.00 2.16 C ATOM 562 OE1 GLU A 36 -21.454 7.459 -8.416 1.00 2.46 O ATOM 563 OE2 GLU A 36 -20.638 6.366 -10.125 1.00 2.95 O ATOM 0 H GLU A 36 -21.380 3.493 -6.127 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.658 4.217 -8.866 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -20.535 5.500 -6.450 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -18.904 4.871 -6.565 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -19.039 7.131 -7.505 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -18.592 5.968 -8.738 1.00 1.48 H new ATOM 570 N ASP A 37 -18.105 3.259 -8.666 1.00 0.37 N ATOM 571 CA ASP A 37 -16.981 2.351 -8.804 1.00 0.36 C ATOM 572 C ASP A 37 -16.027 2.548 -7.637 1.00 0.35 C ATOM 573 O ASP A 37 -15.746 3.676 -7.229 1.00 0.50 O ATOM 574 CB ASP A 37 -16.270 2.534 -10.151 1.00 0.49 C ATOM 575 CG ASP A 37 -15.694 3.921 -10.344 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.480 4.880 -10.501 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.454 4.053 -10.367 1.00 1.88 O ATOM 0 H ASP A 37 -17.964 4.182 -9.077 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.352 1.326 -8.786 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.467 1.801 -10.232 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.974 2.326 -10.956 1.00 0.49 H new ATOM 582 N LEU A 38 -15.562 1.445 -7.082 1.00 0.30 N ATOM 583 CA LEU A 38 -14.771 1.474 -5.860 1.00 0.31 C ATOM 584 C LEU A 38 -13.308 1.781 -6.164 1.00 0.28 C ATOM 585 O LEU A 38 -12.674 1.075 -6.949 1.00 0.29 O ATOM 586 CB LEU A 38 -14.907 0.132 -5.141 1.00 0.39 C ATOM 587 CG LEU A 38 -14.387 0.102 -3.709 1.00 0.42 C ATOM 588 CD1 LEU A 38 -14.967 1.264 -2.918 1.00 1.06 C ATOM 589 CD2 LEU A 38 -14.749 -1.216 -3.048 1.00 1.32 C ATOM 0 H LEU A 38 -15.718 0.510 -7.459 1.00 0.30 H new ATOM 0 HA LEU A 38 -15.143 2.268 -5.213 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.959 -0.152 -5.133 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -14.377 -0.626 -5.718 1.00 0.39 H new ATOM 0 HG LEU A 38 -13.301 0.197 -3.727 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -14.589 1.233 -1.896 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -14.674 2.204 -3.385 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -16.054 1.189 -2.905 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -14.372 -1.226 -2.025 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.833 -1.332 -3.037 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -14.302 -2.038 -3.607 1.00 1.32 H new ATOM 601 N GLU A 39 -12.779 2.832 -5.536 1.00 0.30 N ATOM 602 CA GLU A 39 -11.420 3.280 -5.813 1.00 0.32 C ATOM 603 C GLU A 39 -10.415 2.684 -4.828 1.00 0.31 C ATOM 604 O GLU A 39 -10.475 2.947 -3.626 1.00 0.43 O ATOM 605 CB GLU A 39 -11.349 4.809 -5.766 1.00 0.42 C ATOM 606 CG GLU A 39 -10.000 5.368 -6.195 1.00 0.50 C ATOM 607 CD GLU A 39 -9.925 6.874 -6.073 1.00 0.68 C ATOM 608 OE1 GLU A 39 -10.527 7.571 -6.915 1.00 0.92 O ATOM 609 OE2 GLU A 39 -9.279 7.372 -5.127 1.00 0.73 O ATOM 0 H GLU A 39 -13.272 3.385 -4.835 1.00 0.30 H new ATOM 0 HA GLU A 39 -11.156 2.932 -6.812 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -12.126 5.221 -6.411 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.566 5.144 -4.752 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -9.215 4.919 -5.586 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.805 5.081 -7.228 1.00 0.50 H new ATOM 616 N TRP A 40 -9.501 1.873 -5.348 1.00 0.24 N ATOM 617 CA TRP A 40 -8.406 1.328 -4.555 1.00 0.23 C ATOM 618 C TRP A 40 -7.090 1.961 -4.984 1.00 0.24 C ATOM 619 O TRP A 40 -6.678 1.815 -6.131 1.00 0.28 O ATOM 620 CB TRP A 40 -8.313 -0.190 -4.730 1.00 0.24 C ATOM 621 CG TRP A 40 -9.498 -0.931 -4.198 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.703 -1.103 -4.814 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.583 -1.612 -2.945 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.538 -1.838 -4.012 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.873 -2.163 -2.858 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.694 -1.804 -1.884 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.295 -2.895 -1.753 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.114 -2.533 -0.788 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.405 -3.070 -0.730 1.00 0.40 C ATOM 0 H TRP A 40 -9.498 1.576 -6.324 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.600 1.553 -3.506 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.199 -0.418 -5.790 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.415 -0.550 -4.228 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -10.961 -0.717 -5.789 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.498 -2.100 -4.237 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.697 -1.390 -1.920 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.291 -3.311 -1.705 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.435 -2.691 0.037 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.704 -3.634 0.141 1.00 0.40 H new ATOM 640 N LYS A 41 -6.440 2.670 -4.078 1.00 0.25 N ATOM 641 CA LYS A 41 -5.160 3.292 -4.386 1.00 0.25 C ATOM 642 C LYS A 41 -4.097 2.903 -3.377 1.00 0.23 C ATOM 643 O LYS A 41 -4.363 2.812 -2.179 1.00 0.27 O ATOM 644 CB LYS A 41 -5.278 4.816 -4.414 1.00 0.37 C ATOM 645 CG LYS A 41 -5.847 5.384 -5.701 1.00 0.63 C ATOM 646 CD LYS A 41 -5.838 6.904 -5.666 1.00 0.65 C ATOM 647 CE LYS A 41 -6.463 7.501 -6.915 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.673 8.969 -6.785 1.00 1.23 N ATOM 0 H LYS A 41 -6.773 2.830 -3.127 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.867 2.932 -5.372 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -5.908 5.133 -3.583 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -4.290 5.246 -4.248 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -5.262 5.031 -6.550 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -6.866 5.024 -5.844 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -6.381 7.250 -4.787 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -4.812 7.259 -5.568 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -5.821 7.301 -7.773 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -7.418 7.014 -7.111 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.101 9.337 -7.658 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -7.306 9.159 -5.982 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.759 9.438 -6.624 1.00 1.23 H new ATOM 662 N ILE A 42 -2.888 2.684 -3.866 1.00 0.22 N ATOM 663 CA ILE A 42 -1.750 2.470 -2.992 1.00 0.24 C ATOM 664 C ILE A 42 -0.876 3.716 -2.970 1.00 0.25 C ATOM 665 O ILE A 42 -0.212 4.033 -3.951 1.00 0.31 O ATOM 666 CB ILE A 42 -0.887 1.255 -3.412 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.693 -0.046 -3.332 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.355 1.165 -2.538 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.835 -1.297 -3.386 1.00 0.46 C ATOM 0 H ILE A 42 -2.671 2.650 -4.862 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.151 2.261 -2.000 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.579 1.397 -4.448 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.269 -0.050 -2.407 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.409 -0.071 -4.153 1.00 0.33 H new ATOM 0 HG21 ILE A 42 0.953 0.307 -2.843 1.00 0.37 H new ATOM 0 HG22 ILE A 42 0.944 2.076 -2.648 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.059 1.048 -1.496 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.473 -2.179 -3.324 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.279 -1.316 -4.323 1.00 0.46 H new ATOM 0 HD13 ILE A 42 -0.136 -1.295 -2.549 1.00 0.46 H new ATOM 681 N ILE A 43 -0.909 4.435 -1.863 1.00 0.24 N ATOM 682 CA ILE A 43 -0.088 5.621 -1.698 1.00 0.27 C ATOM 683 C ILE A 43 1.182 5.260 -0.948 1.00 0.26 C ATOM 684 O ILE A 43 1.141 4.879 0.223 1.00 0.30 O ATOM 685 CB ILE A 43 -0.829 6.754 -0.955 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.916 7.349 -1.850 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.141 7.846 -0.514 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.161 6.501 -1.961 1.00 0.69 C ATOM 0 H ILE A 43 -1.499 4.217 -1.060 1.00 0.24 H new ATOM 0 HA ILE A 43 0.154 5.992 -2.694 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.292 6.329 -0.065 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.192 8.330 -1.464 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -1.505 7.503 -2.848 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.407 8.631 0.007 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.888 7.420 0.156 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.636 8.268 -1.389 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.881 6.995 -2.613 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.902 5.528 -2.378 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -3.600 6.368 -0.972 1.00 0.69 H new ATOM 700 N TYR A 44 2.302 5.346 -1.632 1.00 0.29 N ATOM 701 CA TYR A 44 3.577 5.016 -1.030 1.00 0.29 C ATOM 702 C TYR A 44 4.292 6.284 -0.589 1.00 0.28 C ATOM 703 O TYR A 44 4.345 7.261 -1.338 1.00 0.33 O ATOM 704 CB TYR A 44 4.439 4.240 -2.026 1.00 0.32 C ATOM 705 CG TYR A 44 5.705 3.673 -1.422 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.683 2.526 -0.636 1.00 0.42 C ATOM 707 CD2 TYR A 44 6.927 4.293 -1.639 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.845 2.018 -0.083 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.089 3.793 -1.090 1.00 0.45 C ATOM 710 CZ TYR A 44 8.019 2.604 -0.309 1.00 0.49 C ATOM 711 OH TYR A 44 9.207 2.163 0.233 1.00 0.59 O ATOM 0 H TYR A 44 2.357 5.642 -2.607 1.00 0.29 H new ATOM 0 HA TYR A 44 3.404 4.391 -0.154 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.850 3.424 -2.445 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.705 4.898 -2.853 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.744 2.024 -0.454 1.00 0.42 H new ATOM 0 HD2 TYR A 44 6.969 5.183 -2.249 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.799 1.136 0.539 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.033 4.293 -1.249 1.00 0.45 H new ATOM 0 HH TYR A 44 9.956 2.616 -0.208 1.00 0.59 H new ATOM 721 N VAL A 45 4.815 6.276 0.632 1.00 0.27 N ATOM 722 CA VAL A 45 5.594 7.400 1.133 1.00 0.28 C ATOM 723 C VAL A 45 6.835 7.599 0.271 1.00 0.30 C ATOM 724 O VAL A 45 7.720 6.748 0.242 1.00 0.36 O ATOM 725 CB VAL A 45 6.020 7.189 2.605 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.883 8.341 3.098 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.804 7.028 3.497 1.00 0.34 C ATOM 0 H VAL A 45 4.713 5.505 1.292 1.00 0.27 H new ATOM 0 HA VAL A 45 4.962 8.286 1.085 1.00 0.28 H new ATOM 0 HB VAL A 45 6.612 6.275 2.651 1.00 0.32 H new ATOM 0 HG11 VAL A 45 7.167 8.165 4.135 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.780 8.412 2.483 1.00 0.37 H new ATOM 0 HG13 VAL A 45 6.321 9.272 3.029 1.00 0.37 H new ATOM 0 HG21 VAL A 45 5.126 6.881 4.528 1.00 0.34 H new ATOM 0 HG22 VAL A 45 4.186 7.923 3.434 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.225 6.164 3.171 1.00 0.34 H new ATOM 737 N GLY A 46 6.876 8.711 -0.450 1.00 0.32 N ATOM 738 CA GLY A 46 7.996 8.981 -1.325 1.00 0.39 C ATOM 739 C GLY A 46 9.274 9.242 -0.562 1.00 0.41 C ATOM 740 O GLY A 46 10.240 8.494 -0.682 1.00 0.47 O ATOM 0 H GLY A 46 6.153 9.430 -0.444 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.143 8.134 -1.995 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.766 9.845 -1.949 1.00 0.39 H new ATOM 744 N SER A 47 9.289 10.306 0.226 1.00 0.43 N ATOM 745 CA SER A 47 10.463 10.649 0.983 1.00 0.48 C ATOM 746 C SER A 47 10.132 10.764 2.462 1.00 0.51 C ATOM 747 O SER A 47 8.992 11.028 2.826 1.00 0.49 O ATOM 748 CB SER A 47 11.011 11.966 0.448 1.00 0.53 C ATOM 749 OG SER A 47 12.051 12.473 1.252 1.00 1.23 O ATOM 0 H SER A 47 8.500 10.940 0.352 1.00 0.43 H new ATOM 0 HA SER A 47 11.215 9.867 0.876 1.00 0.48 H new ATOM 0 HB2 SER A 47 11.377 11.820 -0.568 1.00 0.53 H new ATOM 0 HB3 SER A 47 10.205 12.698 0.394 1.00 0.53 H new ATOM 0 HG SER A 47 12.571 11.729 1.622 1.00 1.23 H new ATOM 755 N ALA A 48 11.122 10.521 3.301 1.00 0.62 N ATOM 756 CA ALA A 48 11.018 10.820 4.717 1.00 0.70 C ATOM 757 C ALA A 48 11.533 12.234 4.957 1.00 0.75 C ATOM 758 O ALA A 48 11.194 12.882 5.951 1.00 0.82 O ATOM 759 CB ALA A 48 11.797 9.808 5.544 1.00 0.81 C ATOM 0 H ALA A 48 12.015 10.114 3.023 1.00 0.62 H new ATOM 0 HA ALA A 48 9.975 10.756 5.028 1.00 0.70 H new ATOM 0 HB1 ALA A 48 11.704 10.054 6.602 1.00 0.81 H new ATOM 0 HB2 ALA A 48 11.398 8.809 5.367 1.00 0.81 H new ATOM 0 HB3 ALA A 48 12.848 9.835 5.257 1.00 0.81 H new ATOM 765 N GLU A 49 12.349 12.703 4.017 1.00 0.75 N ATOM 766 CA GLU A 49 12.905 14.043 4.061 1.00 0.83 C ATOM 767 C GLU A 49 11.877 15.053 3.579 1.00 0.82 C ATOM 768 O GLU A 49 11.676 16.094 4.200 1.00 0.93 O ATOM 769 CB GLU A 49 14.164 14.115 3.191 1.00 0.90 C ATOM 770 CG GLU A 49 14.752 15.509 3.061 1.00 1.06 C ATOM 771 CD GLU A 49 16.030 15.517 2.251 1.00 1.48 C ATOM 772 OE1 GLU A 49 15.967 15.263 1.030 1.00 1.96 O ATOM 773 OE2 GLU A 49 17.102 15.783 2.828 1.00 1.99 O ATOM 0 H GLU A 49 12.641 12.160 3.204 1.00 0.75 H new ATOM 0 HA GLU A 49 13.172 14.281 5.091 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.920 13.452 3.610 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.926 13.739 2.196 1.00 0.90 H new ATOM 0 HG2 GLU A 49 14.022 16.167 2.591 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.951 15.912 4.054 1.00 1.06 H new ATOM 780 N SER A 50 11.221 14.744 2.470 1.00 0.74 N ATOM 781 CA SER A 50 10.194 15.615 1.947 1.00 0.79 C ATOM 782 C SER A 50 8.824 15.167 2.413 1.00 0.75 C ATOM 783 O SER A 50 8.020 15.973 2.885 1.00 1.26 O ATOM 784 CB SER A 50 10.261 15.649 0.423 1.00 0.96 C ATOM 785 OG SER A 50 9.267 16.498 -0.124 1.00 1.72 O ATOM 0 H SER A 50 11.385 13.900 1.922 1.00 0.74 H new ATOM 0 HA SER A 50 10.366 16.623 2.325 1.00 0.79 H new ATOM 0 HB2 SER A 50 11.247 15.993 0.109 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.135 14.640 0.030 1.00 0.96 H new ATOM 0 HG SER A 50 9.367 16.534 -1.098 1.00 1.72 H new ATOM 791 N GLU A 51 8.574 13.871 2.273 1.00 0.78 N ATOM 792 CA GLU A 51 7.274 13.259 2.558 1.00 0.71 C ATOM 793 C GLU A 51 6.199 13.731 1.573 1.00 0.74 C ATOM 794 O GLU A 51 5.219 13.032 1.334 1.00 0.80 O ATOM 795 CB GLU A 51 6.838 13.510 4.008 1.00 0.85 C ATOM 796 CG GLU A 51 7.813 12.957 5.035 1.00 1.46 C ATOM 797 CD GLU A 51 7.346 13.170 6.455 1.00 1.68 C ATOM 798 OE1 GLU A 51 7.395 14.320 6.936 1.00 2.02 O ATOM 799 OE2 GLU A 51 6.919 12.189 7.098 1.00 2.09 O ATOM 0 H GLU A 51 9.276 13.203 1.954 1.00 0.78 H new ATOM 0 HA GLU A 51 7.393 12.183 2.428 1.00 0.71 H new ATOM 0 HB2 GLU A 51 6.725 14.583 4.165 1.00 0.85 H new ATOM 0 HB3 GLU A 51 5.858 13.060 4.168 1.00 0.85 H new ATOM 0 HG2 GLU A 51 7.954 11.891 4.859 1.00 1.46 H new ATOM 0 HG3 GLU A 51 8.784 13.433 4.901 1.00 1.46 H new ATOM 806 N GLU A 52 6.413 14.908 0.988 1.00 0.78 N ATOM 807 CA GLU A 52 5.533 15.456 -0.037 1.00 0.89 C ATOM 808 C GLU A 52 5.731 14.691 -1.343 1.00 0.78 C ATOM 809 O GLU A 52 4.980 14.852 -2.303 1.00 0.85 O ATOM 810 CB GLU A 52 5.848 16.940 -0.239 1.00 1.09 C ATOM 811 CG GLU A 52 4.785 17.698 -1.014 1.00 1.70 C ATOM 812 CD GLU A 52 3.462 17.741 -0.280 1.00 2.16 C ATOM 813 OE1 GLU A 52 3.372 18.442 0.749 1.00 2.83 O ATOM 814 OE2 GLU A 52 2.506 17.082 -0.736 1.00 2.43 O ATOM 0 H GLU A 52 7.205 15.509 1.214 1.00 0.78 H new ATOM 0 HA GLU A 52 4.494 15.354 0.278 1.00 0.89 H new ATOM 0 HB2 GLU A 52 5.976 17.410 0.736 1.00 1.09 H new ATOM 0 HB3 GLU A 52 6.799 17.031 -0.764 1.00 1.09 H new ATOM 0 HG2 GLU A 52 5.129 18.716 -1.199 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.643 17.228 -1.987 1.00 1.70 H new ATOM 821 N TYR A 53 6.751 13.843 -1.352 1.00 0.65 N ATOM 822 CA TYR A 53 7.064 13.010 -2.501 1.00 0.61 C ATOM 823 C TYR A 53 6.217 11.746 -2.483 1.00 0.52 C ATOM 824 O TYR A 53 6.516 10.784 -3.189 1.00 0.52 O ATOM 825 CB TYR A 53 8.555 12.646 -2.508 1.00 0.62 C ATOM 826 CG TYR A 53 9.462 13.783 -2.912 1.00 0.82 C ATOM 827 CD1 TYR A 53 9.100 14.662 -3.921 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.678 13.978 -2.280 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.925 15.705 -4.284 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.509 15.019 -2.631 1.00 1.01 C ATOM 831 CZ TYR A 53 11.128 15.882 -3.637 1.00 1.25 C ATOM 832 OH TYR A 53 11.945 16.932 -3.992 1.00 1.48 O ATOM 0 H TYR A 53 7.383 13.715 -0.562 1.00 0.65 H new ATOM 0 HA TYR A 53 6.837 13.572 -3.407 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.840 12.303 -1.513 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.711 11.810 -3.190 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.157 14.528 -4.430 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.981 13.300 -1.496 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.629 16.381 -5.073 1.00 1.44 H new ATOM 0 HE2 TYR A 53 12.452 15.158 -2.122 1.00 1.01 H new ATOM 0 HH TYR A 53 12.755 16.917 -3.440 1.00 1.48 H new ATOM 842 N ASP A 54 5.167 11.750 -1.660 1.00 0.52 N ATOM 843 CA ASP A 54 4.258 10.616 -1.574 1.00 0.52 C ATOM 844 C ASP A 54 3.656 10.342 -2.945 1.00 0.57 C ATOM 845 O ASP A 54 3.238 11.261 -3.655 1.00 0.68 O ATOM 846 CB ASP A 54 3.160 10.858 -0.529 1.00 0.65 C ATOM 847 CG ASP A 54 2.160 11.927 -0.933 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.492 13.126 -0.840 1.00 1.22 O ATOM 849 OD2 ASP A 54 1.028 11.569 -1.321 1.00 1.22 O ATOM 0 H ASP A 54 4.929 12.528 -1.045 1.00 0.52 H new ATOM 0 HA ASP A 54 4.821 9.740 -1.251 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.628 9.924 -0.351 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.625 11.145 0.414 1.00 0.65 H new ATOM 854 N GLN A 55 3.648 9.080 -3.327 1.00 0.54 N ATOM 855 CA GLN A 55 3.301 8.704 -4.685 1.00 0.60 C ATOM 856 C GLN A 55 2.253 7.604 -4.734 1.00 0.46 C ATOM 857 O GLN A 55 2.424 6.528 -4.156 1.00 0.57 O ATOM 858 CB GLN A 55 4.559 8.263 -5.433 1.00 0.78 C ATOM 859 CG GLN A 55 5.495 7.396 -4.602 1.00 0.87 C ATOM 860 CD GLN A 55 6.667 6.872 -5.401 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.550 6.612 -6.596 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.813 6.724 -4.754 1.00 0.81 N ATOM 0 H GLN A 55 3.878 8.296 -2.716 1.00 0.54 H new ATOM 0 HA GLN A 55 2.867 9.580 -5.167 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.265 7.712 -6.326 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.100 9.148 -5.768 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.867 7.976 -3.757 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.936 6.556 -4.191 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.871 6.950 -3.761 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.638 6.384 -5.249 1.00 0.81 H new ATOM 871 N VAL A 56 1.159 7.899 -5.415 1.00 0.41 N ATOM 872 CA VAL A 56 0.170 6.891 -5.744 1.00 0.37 C ATOM 873 C VAL A 56 0.756 5.928 -6.764 1.00 0.36 C ATOM 874 O VAL A 56 1.056 6.306 -7.896 1.00 0.44 O ATOM 875 CB VAL A 56 -1.125 7.511 -6.311 1.00 0.50 C ATOM 876 CG1 VAL A 56 -2.147 6.427 -6.627 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.706 8.525 -5.340 1.00 1.08 C ATOM 0 H VAL A 56 0.934 8.835 -5.752 1.00 0.41 H new ATOM 0 HA VAL A 56 -0.089 6.366 -4.825 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.876 8.028 -7.238 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -3.052 6.885 -7.025 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.733 5.740 -7.365 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -2.389 5.878 -5.717 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.618 8.949 -5.760 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.936 8.033 -4.395 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.981 9.321 -5.168 1.00 1.08 H new ATOM 887 N LEU A 57 0.928 4.692 -6.348 1.00 0.34 N ATOM 888 CA LEU A 57 1.565 3.684 -7.176 1.00 0.39 C ATOM 889 C LEU A 57 0.645 3.246 -8.299 1.00 0.36 C ATOM 890 O LEU A 57 1.021 3.276 -9.470 1.00 0.48 O ATOM 891 CB LEU A 57 1.967 2.478 -6.326 1.00 0.44 C ATOM 892 CG LEU A 57 3.043 2.757 -5.281 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.392 1.490 -4.518 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.274 3.338 -5.952 1.00 0.77 C ATOM 0 H LEU A 57 0.633 4.356 -5.431 1.00 0.34 H new ATOM 0 HA LEU A 57 2.460 4.122 -7.617 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.080 2.097 -5.820 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.321 1.687 -6.988 1.00 0.44 H new ATOM 0 HG LEU A 57 2.659 3.483 -4.565 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.161 1.711 -3.778 1.00 1.05 H new ATOM 0 HD12 LEU A 57 2.502 1.112 -4.015 1.00 1.05 H new ATOM 0 HD13 LEU A 57 3.763 0.737 -5.213 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.039 3.535 -5.201 1.00 0.77 H new ATOM 0 HD22 LEU A 57 4.659 2.628 -6.684 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.010 4.269 -6.454 1.00 0.77 H new ATOM 906 N ASP A 58 -0.564 2.857 -7.934 1.00 0.31 N ATOM 907 CA ASP A 58 -1.539 2.378 -8.902 1.00 0.35 C ATOM 908 C ASP A 58 -2.944 2.515 -8.329 1.00 0.33 C ATOM 909 O ASP A 58 -3.106 2.730 -7.124 1.00 0.33 O ATOM 910 CB ASP A 58 -1.242 0.919 -9.274 1.00 0.43 C ATOM 911 CG ASP A 58 -2.099 0.421 -10.418 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.921 0.908 -11.555 1.00 0.92 O ATOM 913 OD2 ASP A 58 -2.955 -0.456 -10.189 1.00 1.31 O ATOM 0 H ASP A 58 -0.897 2.863 -6.970 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.473 2.981 -9.808 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.191 0.825 -9.545 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.404 0.286 -8.402 1.00 0.43 H new ATOM 918 N SER A 59 -3.951 2.405 -9.185 1.00 0.42 N ATOM 919 CA SER A 59 -5.332 2.535 -8.764 1.00 0.43 C ATOM 920 C SER A 59 -6.207 1.486 -9.445 1.00 0.46 C ATOM 921 O SER A 59 -6.270 1.412 -10.673 1.00 0.58 O ATOM 922 CB SER A 59 -5.842 3.944 -9.073 1.00 0.52 C ATOM 923 OG SER A 59 -5.480 4.346 -10.385 1.00 1.09 O ATOM 0 H SER A 59 -3.832 2.225 -10.182 1.00 0.42 H new ATOM 0 HA SER A 59 -5.385 2.370 -7.688 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.927 3.972 -8.968 1.00 0.52 H new ATOM 0 HB3 SER A 59 -5.433 4.648 -8.348 1.00 0.52 H new ATOM 0 HG SER A 59 -5.596 3.593 -11.002 1.00 1.09 H new ATOM 929 N VAL A 60 -6.867 0.672 -8.639 1.00 0.39 N ATOM 930 CA VAL A 60 -7.745 -0.370 -9.144 1.00 0.45 C ATOM 931 C VAL A 60 -9.194 -0.020 -8.838 1.00 0.38 C ATOM 932 O VAL A 60 -9.549 0.234 -7.687 1.00 0.39 O ATOM 933 CB VAL A 60 -7.397 -1.743 -8.526 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.339 -2.826 -9.027 1.00 1.22 C ATOM 935 CG2 VAL A 60 -5.953 -2.115 -8.829 1.00 1.11 C ATOM 0 H VAL A 60 -6.810 0.714 -7.621 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.605 -0.437 -10.223 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.518 -1.663 -7.446 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.069 -3.780 -8.575 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.363 -2.572 -8.754 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.261 -2.903 -10.111 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.726 -3.085 -8.386 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.809 -2.167 -9.908 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.287 -1.360 -8.410 1.00 1.11 H new ATOM 945 N LEU A 61 -10.018 0.022 -9.869 1.00 0.40 N ATOM 946 CA LEU A 61 -11.423 0.371 -9.714 1.00 0.39 C ATOM 947 C LEU A 61 -12.297 -0.850 -9.970 1.00 0.38 C ATOM 948 O LEU A 61 -12.080 -1.573 -10.944 1.00 0.57 O ATOM 949 CB LEU A 61 -11.828 1.485 -10.696 1.00 0.51 C ATOM 950 CG LEU A 61 -11.079 2.826 -10.583 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.007 3.289 -9.143 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.688 2.737 -11.192 1.00 1.34 C ATOM 0 H LEU A 61 -9.739 -0.182 -10.829 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.566 0.726 -8.693 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.695 1.107 -11.710 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.893 1.680 -10.566 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.644 3.566 -11.150 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.473 4.238 -9.092 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.016 3.419 -8.752 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.480 2.544 -8.547 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -9.186 3.700 -11.096 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -9.111 1.973 -10.671 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.769 2.474 -12.247 1.00 1.34 H new ATOM 964 N VAL A 62 -13.269 -1.103 -9.099 1.00 0.27 N ATOM 965 CA VAL A 62 -14.254 -2.144 -9.378 1.00 0.27 C ATOM 966 C VAL A 62 -15.655 -1.535 -9.424 1.00 0.26 C ATOM 967 O VAL A 62 -16.238 -1.187 -8.399 1.00 0.30 O ATOM 968 CB VAL A 62 -14.207 -3.272 -8.319 1.00 0.34 C ATOM 969 CG1 VAL A 62 -15.174 -4.393 -8.674 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.793 -3.816 -8.168 1.00 0.59 C ATOM 0 H VAL A 62 -13.396 -0.614 -8.213 1.00 0.27 H new ATOM 0 HA VAL A 62 -14.012 -2.582 -10.346 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.514 -2.846 -7.364 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -15.122 -5.173 -7.914 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -16.189 -3.998 -8.719 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.905 -4.812 -9.643 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.786 -4.607 -7.418 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.454 -4.218 -9.123 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -12.126 -3.013 -7.854 1.00 0.59 H new ATOM 980 N GLY A 63 -16.140 -1.348 -10.636 1.00 0.28 N ATOM 981 CA GLY A 63 -17.468 -0.817 -10.866 1.00 0.33 C ATOM 982 C GLY A 63 -18.452 -1.875 -11.369 1.00 0.36 C ATOM 983 O GLY A 63 -18.232 -2.420 -12.454 1.00 0.42 O ATOM 0 H GLY A 63 -15.623 -1.560 -11.489 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.847 -0.386 -9.939 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.409 -0.007 -11.593 1.00 0.33 H new ATOM 987 N PRO A 64 -19.534 -2.221 -10.650 1.00 0.39 N ATOM 988 CA PRO A 64 -19.766 -1.909 -9.249 1.00 0.39 C ATOM 989 C PRO A 64 -19.426 -3.118 -8.393 1.00 0.38 C ATOM 990 O PRO A 64 -19.209 -4.209 -8.927 1.00 0.41 O ATOM 991 CB PRO A 64 -21.269 -1.637 -9.218 1.00 0.48 C ATOM 992 CG PRO A 64 -21.847 -2.450 -10.338 1.00 0.55 C ATOM 993 CD PRO A 64 -20.698 -2.929 -11.199 1.00 0.48 C ATOM 0 HA PRO A 64 -19.168 -1.080 -8.870 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.700 -1.927 -8.260 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.479 -0.576 -9.354 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.410 -3.297 -9.945 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.542 -1.851 -10.926 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.575 -4.010 -11.137 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.856 -2.686 -12.250 1.00 0.48 H new ATOM 1001 N VAL A 65 -19.349 -2.962 -7.087 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.986 -4.093 -6.263 1.00 0.40 C ATOM 1003 C VAL A 65 -20.209 -4.606 -5.507 1.00 0.41 C ATOM 1004 O VAL A 65 -20.732 -3.933 -4.619 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.847 -3.750 -5.286 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -17.120 -5.010 -4.875 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.869 -2.772 -5.915 1.00 0.95 C ATOM 0 H VAL A 65 -19.527 -2.091 -6.587 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.619 -4.880 -6.922 1.00 0.40 H new ATOM 0 HB VAL A 65 -18.284 -3.281 -4.404 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -16.316 -4.757 -4.184 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -17.818 -5.690 -4.387 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -16.701 -5.493 -5.758 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -16.074 -2.545 -5.205 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.438 -3.215 -6.813 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.392 -1.853 -6.179 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.708 -5.792 -5.892 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.881 -6.397 -5.265 1.00 0.48 C ATOM 1019 C PRO A 66 -21.551 -7.093 -3.951 1.00 0.39 C ATOM 1020 O PRO A 66 -20.399 -7.470 -3.704 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.349 -7.404 -6.311 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.105 -7.815 -7.023 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.179 -6.626 -6.989 1.00 0.46 C ATOM 0 HA PRO A 66 -22.633 -5.655 -4.999 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.840 -8.259 -5.846 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.069 -6.957 -6.997 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -20.647 -8.677 -6.538 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.324 -8.107 -8.050 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.149 -6.928 -6.800 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -20.185 -6.089 -7.937 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.579 -7.269 -3.126 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.434 -7.855 -1.801 1.00 0.36 C ATOM 1033 C ALA A 67 -21.803 -9.238 -1.871 1.00 0.34 C ATOM 1034 O ALA A 67 -22.283 -10.120 -2.586 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.784 -7.926 -1.103 1.00 0.40 C ATOM 0 H ALA A 67 -23.537 -7.008 -3.360 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.769 -7.213 -1.223 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.659 -8.366 -0.114 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.196 -6.922 -1.004 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.466 -8.541 -1.691 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.730 -9.413 -1.124 1.00 0.32 N ATOM 1042 CA GLY A 68 -20.019 -10.670 -1.118 1.00 0.33 C ATOM 1043 C GLY A 68 -18.566 -10.461 -0.784 1.00 0.27 C ATOM 1044 O GLY A 68 -18.054 -9.350 -0.911 1.00 0.26 O ATOM 0 H GLY A 68 -20.334 -8.698 -0.514 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.470 -11.345 -0.391 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.107 -11.148 -2.094 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.892 -11.505 -0.357 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.504 -11.375 0.032 1.00 0.26 C ATOM 1050 C ARG A 69 -15.597 -11.549 -1.181 1.00 0.26 C ATOM 1051 O ARG A 69 -15.399 -12.657 -1.677 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.162 -12.373 1.124 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.860 -12.065 1.830 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.600 -13.041 2.960 1.00 0.48 C ATOM 1055 NE ARG A 69 -15.482 -12.802 4.101 1.00 1.24 N ATOM 1056 CZ ARG A 69 -15.181 -13.112 5.359 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -14.064 -13.774 5.644 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -16.021 -12.781 6.330 1.00 2.78 N ATOM 0 H ARG A 69 -18.277 -12.446 -0.270 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.343 -10.374 0.433 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.969 -12.390 1.856 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.104 -13.371 0.689 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -14.038 -12.106 1.115 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.889 -11.049 2.224 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -14.741 -14.060 2.599 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -13.561 -12.957 3.280 1.00 0.48 H new ATOM 0 HE ARG A 69 -16.388 -12.369 3.921 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -13.429 -14.049 4.895 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -13.842 -14.007 6.612 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -16.889 -12.293 6.109 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -15.799 -13.014 7.298 1.00 2.78 H new ATOM 1072 N HIS A 70 -15.065 -10.435 -1.659 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.234 -10.421 -2.857 1.00 0.24 C ATOM 1074 C HIS A 70 -12.767 -10.563 -2.486 1.00 0.25 C ATOM 1075 O HIS A 70 -12.356 -10.195 -1.386 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.429 -9.119 -3.646 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.805 -8.927 -4.211 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.081 -8.978 -5.562 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.984 -8.659 -3.603 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.366 -8.750 -5.756 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.935 -8.554 -4.583 1.00 0.47 N ATOM 0 H HIS A 70 -15.195 -9.518 -1.231 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.537 -11.263 -3.480 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -14.199 -8.277 -2.993 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.709 -9.095 -4.464 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -17.145 -8.548 -2.541 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -17.866 -8.728 -6.713 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.924 -8.356 -4.430 1.00 0.47 H new ATOM 1090 N MET A 71 -11.983 -11.095 -3.406 1.00 0.33 N ATOM 1091 CA MET A 71 -10.551 -11.237 -3.206 1.00 0.38 C ATOM 1092 C MET A 71 -9.814 -10.907 -4.496 1.00 0.38 C ATOM 1093 O MET A 71 -10.054 -11.532 -5.529 1.00 0.48 O ATOM 1094 CB MET A 71 -10.207 -12.662 -2.758 1.00 0.47 C ATOM 1095 CG MET A 71 -8.726 -12.869 -2.469 1.00 0.60 C ATOM 1096 SD MET A 71 -8.328 -14.573 -2.027 1.00 0.80 S ATOM 1097 CE MET A 71 -9.312 -14.780 -0.544 1.00 1.80 C ATOM 0 H MET A 71 -12.317 -11.439 -4.306 1.00 0.33 H new ATOM 0 HA MET A 71 -10.239 -10.544 -2.425 1.00 0.38 H new ATOM 0 HB2 MET A 71 -10.780 -12.901 -1.862 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.519 -13.363 -3.532 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.146 -12.582 -3.346 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.424 -12.208 -1.657 1.00 0.60 H new ATOM 0 HE1 MET A 71 -8.657 -15.000 0.299 1.00 1.80 H new ATOM 0 HE2 MET A 71 -9.866 -13.863 -0.344 1.00 1.80 H new ATOM 0 HE3 MET A 71 -10.012 -15.604 -0.684 1.00 1.80 H new ATOM 1107 N PHE A 72 -8.938 -9.918 -4.445 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.156 -9.544 -5.613 1.00 0.31 C ATOM 1109 C PHE A 72 -6.731 -9.201 -5.199 1.00 0.29 C ATOM 1110 O PHE A 72 -6.496 -8.744 -4.080 1.00 0.30 O ATOM 1111 CB PHE A 72 -8.809 -8.364 -6.352 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.604 -7.018 -5.704 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.284 -6.660 -4.548 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -7.731 -6.101 -6.269 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.092 -5.417 -3.973 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.536 -4.861 -5.698 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.216 -4.519 -4.550 1.00 0.29 C ATOM 0 H PHE A 72 -8.750 -9.361 -3.611 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.125 -10.391 -6.298 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.414 -8.326 -7.367 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -9.879 -8.553 -6.433 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.970 -7.359 -4.093 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.196 -6.362 -7.170 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.627 -5.149 -3.074 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -6.851 -4.159 -6.150 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.064 -3.549 -4.101 1.00 0.29 H new ATOM 1127 N VAL A 73 -5.784 -9.436 -6.090 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.393 -9.136 -5.802 1.00 0.29 C ATOM 1129 C VAL A 73 -3.978 -7.810 -6.422 1.00 0.30 C ATOM 1130 O VAL A 73 -3.862 -7.674 -7.640 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.438 -10.258 -6.263 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.431 -11.398 -5.258 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -3.829 -10.773 -7.636 1.00 1.00 C ATOM 0 H VAL A 73 -5.952 -9.832 -7.015 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.313 -9.062 -4.717 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.433 -9.840 -6.327 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -2.752 -12.180 -5.599 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.098 -11.027 -4.289 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.437 -11.806 -5.164 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.141 -11.563 -7.938 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -4.844 -11.170 -7.600 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -3.784 -9.957 -8.357 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.781 -6.832 -5.560 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.323 -5.521 -5.967 1.00 0.25 C ATOM 1145 C PHE A 74 -1.813 -5.571 -6.154 1.00 0.25 C ATOM 1146 O PHE A 74 -1.082 -5.971 -5.246 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.695 -4.491 -4.895 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.675 -3.054 -5.353 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.570 -2.520 -6.002 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.765 -2.233 -5.117 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.557 -1.199 -6.405 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.755 -0.912 -5.513 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.651 -0.394 -6.157 1.00 0.31 C ATOM 0 H PHE A 74 -3.935 -6.926 -4.556 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.796 -5.230 -6.905 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.692 -4.723 -4.521 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.007 -4.598 -4.056 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.710 -3.145 -6.194 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.634 -2.633 -4.616 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.693 -0.797 -6.913 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.611 -0.283 -5.319 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.642 0.640 -6.467 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.354 -5.179 -7.327 1.00 0.24 N ATOM 1164 CA GLN A 75 0.067 -5.214 -7.637 1.00 0.27 C ATOM 1165 C GLN A 75 0.521 -3.858 -8.147 1.00 0.32 C ATOM 1166 O GLN A 75 0.001 -3.351 -9.143 1.00 0.41 O ATOM 1167 CB GLN A 75 0.382 -6.279 -8.691 1.00 0.32 C ATOM 1168 CG GLN A 75 0.020 -7.697 -8.284 1.00 0.49 C ATOM 1169 CD GLN A 75 0.258 -8.691 -9.407 1.00 0.52 C ATOM 1170 OE1 GLN A 75 0.108 -8.236 -10.643 1.00 1.14 O flip ATOM 1171 NE2 GLN A 75 0.578 -9.854 -9.172 1.00 1.12 N flip ATOM 0 H GLN A 75 -1.943 -4.832 -8.084 1.00 0.24 H new ATOM 0 HA GLN A 75 0.600 -5.465 -6.720 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.150 -6.031 -9.609 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.447 -6.241 -8.920 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.609 -7.986 -7.414 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.028 -7.732 -7.985 1.00 0.49 H new ATOM 0 HE21 GLN A 75 0.684 -10.169 -8.208 1.00 1.12 H new ATOM 0 HE22 GLN A 75 0.737 -10.504 -9.941 1.00 1.12 H new ATOM 1180 N ALA A 76 1.473 -3.266 -7.455 1.00 0.36 N ATOM 1181 CA ALA A 76 2.032 -1.995 -7.872 1.00 0.46 C ATOM 1182 C ALA A 76 3.537 -2.120 -8.044 1.00 0.40 C ATOM 1183 O ALA A 76 4.243 -2.464 -7.099 1.00 0.48 O ATOM 1184 CB ALA A 76 1.691 -0.915 -6.862 1.00 0.56 C ATOM 0 H ALA A 76 1.877 -3.645 -6.599 1.00 0.36 H new ATOM 0 HA ALA A 76 1.598 -1.713 -8.831 1.00 0.46 H new ATOM 0 HB1 ALA A 76 2.117 0.034 -7.187 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.608 -0.819 -6.783 1.00 0.56 H new ATOM 0 HB3 ALA A 76 2.103 -1.183 -5.889 1.00 0.56 H new ATOM 1190 N ASP A 77 4.019 -1.860 -9.255 1.00 0.56 N ATOM 1191 CA ASP A 77 5.443 -1.982 -9.562 1.00 0.61 C ATOM 1192 C ASP A 77 6.271 -1.051 -8.680 1.00 0.43 C ATOM 1193 O ASP A 77 5.724 -0.191 -7.985 1.00 0.47 O ATOM 1194 CB ASP A 77 5.703 -1.663 -11.038 1.00 0.95 C ATOM 1195 CG ASP A 77 7.099 -2.052 -11.495 1.00 1.54 C ATOM 1196 OD1 ASP A 77 7.369 -3.265 -11.622 1.00 2.13 O ATOM 1197 OD2 ASP A 77 7.930 -1.153 -11.730 1.00 2.06 O ATOM 0 H ASP A 77 3.444 -1.562 -10.043 1.00 0.56 H new ATOM 0 HA ASP A 77 5.742 -3.011 -9.362 1.00 0.61 H new ATOM 0 HB2 ASP A 77 4.968 -2.184 -11.651 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.557 -0.596 -11.204 1.00 0.95 H new ATOM 1202 N ALA A 78 7.586 -1.234 -8.728 1.00 0.45 N ATOM 1203 CA ALA A 78 8.529 -0.458 -7.940 1.00 0.36 C ATOM 1204 C ALA A 78 8.209 1.033 -7.969 1.00 0.37 C ATOM 1205 O ALA A 78 8.112 1.638 -9.041 1.00 0.46 O ATOM 1206 CB ALA A 78 9.928 -0.700 -8.473 1.00 0.40 C ATOM 0 H ALA A 78 8.029 -1.934 -9.323 1.00 0.45 H new ATOM 0 HA ALA A 78 8.456 -0.781 -6.902 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.645 -0.123 -7.889 1.00 0.40 H new ATOM 0 HB2 ALA A 78 10.168 -1.760 -8.396 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.978 -0.391 -9.517 1.00 0.40 H new ATOM 1212 N PRO A 79 8.009 1.632 -6.783 1.00 0.34 N ATOM 1213 CA PRO A 79 7.771 3.070 -6.647 1.00 0.43 C ATOM 1214 C PRO A 79 8.827 3.889 -7.376 1.00 0.41 C ATOM 1215 O PRO A 79 9.984 3.479 -7.460 1.00 0.47 O ATOM 1216 CB PRO A 79 7.860 3.304 -5.139 1.00 0.47 C ATOM 1217 CG PRO A 79 7.486 1.999 -4.534 1.00 0.53 C ATOM 1218 CD PRO A 79 7.984 0.944 -5.482 1.00 0.33 C ATOM 0 HA PRO A 79 6.818 3.374 -7.079 1.00 0.43 H new ATOM 0 HB2 PRO A 79 8.865 3.604 -4.843 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.183 4.097 -4.820 1.00 0.47 H new ATOM 0 HG2 PRO A 79 7.937 1.882 -3.549 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.407 1.926 -4.401 1.00 0.53 H new ATOM 0 HD2 PRO A 79 8.974 0.585 -5.199 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.324 0.077 -5.500 1.00 0.33 H new ATOM 1226 N ASN A 80 8.418 5.042 -7.892 1.00 0.43 N ATOM 1227 CA ASN A 80 9.298 5.902 -8.680 1.00 0.46 C ATOM 1228 C ASN A 80 10.584 6.214 -7.922 1.00 0.40 C ATOM 1229 O ASN A 80 10.562 6.894 -6.892 1.00 0.39 O ATOM 1230 CB ASN A 80 8.589 7.212 -9.051 1.00 0.56 C ATOM 1231 CG ASN A 80 7.352 6.999 -9.906 1.00 1.33 C ATOM 1232 OD1 ASN A 80 7.430 6.915 -11.130 1.00 2.19 O ATOM 1233 ND2 ASN A 80 6.195 6.925 -9.267 1.00 1.59 N ATOM 0 H ASN A 80 7.473 5.407 -7.778 1.00 0.43 H new ATOM 0 HA ASN A 80 9.552 5.363 -9.593 1.00 0.46 H new ATOM 0 HB2 ASN A 80 8.306 7.736 -8.138 1.00 0.56 H new ATOM 0 HB3 ASN A 80 9.286 7.857 -9.586 1.00 0.56 H new ATOM 0 HD21 ASN A 80 5.330 6.794 -9.792 1.00 1.59 H new ATOM 0 HD22 ASN A 80 6.168 6.999 -8.250 1.00 1.59 H new ATOM 1240 N PRO A 81 11.723 5.705 -8.423 1.00 0.41 N ATOM 1241 CA PRO A 81 13.034 5.897 -7.794 1.00 0.41 C ATOM 1242 C PRO A 81 13.469 7.356 -7.805 1.00 0.43 C ATOM 1243 O PRO A 81 14.384 7.749 -7.082 1.00 0.48 O ATOM 1244 CB PRO A 81 13.983 5.049 -8.653 1.00 0.47 C ATOM 1245 CG PRO A 81 13.096 4.125 -9.414 1.00 0.54 C ATOM 1246 CD PRO A 81 11.825 4.888 -9.642 1.00 0.48 C ATOM 0 HA PRO A 81 13.024 5.607 -6.743 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.571 5.674 -9.325 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.689 4.496 -8.033 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.553 3.832 -10.359 1.00 0.54 H new ATOM 0 HG3 PRO A 81 12.909 3.209 -8.853 1.00 0.54 H new ATOM 0 HD2 PRO A 81 11.876 5.503 -10.540 1.00 0.48 H new ATOM 0 HD3 PRO A 81 10.968 4.224 -9.759 1.00 0.48 H new ATOM 1254 N GLY A 82 12.808 8.153 -8.632 1.00 0.45 N ATOM 1255 CA GLY A 82 13.095 9.570 -8.683 1.00 0.49 C ATOM 1256 C GLY A 82 12.458 10.317 -7.530 1.00 0.48 C ATOM 1257 O GLY A 82 12.833 11.452 -7.233 1.00 0.51 O ATOM 0 H GLY A 82 12.076 7.841 -9.270 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.174 9.723 -8.663 1.00 0.49 H new ATOM 0 HA3 GLY A 82 12.733 9.980 -9.626 1.00 0.49 H new ATOM 1261 N LEU A 83 11.492 9.677 -6.881 1.00 0.46 N ATOM 1262 CA LEU A 83 10.818 10.274 -5.734 1.00 0.49 C ATOM 1263 C LEU A 83 11.382 9.733 -4.429 1.00 0.46 C ATOM 1264 O LEU A 83 11.212 10.345 -3.375 1.00 0.52 O ATOM 1265 CB LEU A 83 9.308 10.029 -5.795 1.00 0.52 C ATOM 1266 CG LEU A 83 8.575 10.780 -6.909 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.101 10.412 -6.926 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.745 12.283 -6.744 1.00 1.34 C ATOM 0 H LEU A 83 11.158 8.746 -7.129 1.00 0.46 H new ATOM 0 HA LEU A 83 10.996 11.349 -5.771 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.133 8.961 -5.922 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.870 10.312 -4.838 1.00 0.52 H new ATOM 0 HG LEU A 83 9.013 10.485 -7.862 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.599 10.957 -7.725 1.00 1.60 H new ATOM 0 HD12 LEU A 83 6.995 9.340 -7.096 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.650 10.674 -5.969 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.217 12.799 -7.546 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.336 12.592 -5.782 1.00 1.34 H new ATOM 0 HD23 LEU A 83 9.804 12.536 -6.786 1.00 1.34 H new ATOM 1280 N ILE A 84 12.044 8.582 -4.498 1.00 0.41 N ATOM 1281 CA ILE A 84 12.686 8.011 -3.327 1.00 0.40 C ATOM 1282 C ILE A 84 14.108 8.549 -3.203 1.00 0.46 C ATOM 1283 O ILE A 84 14.978 8.230 -4.016 1.00 0.52 O ATOM 1284 CB ILE A 84 12.710 6.471 -3.384 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.290 5.933 -3.588 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.319 5.904 -2.109 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.219 4.426 -3.719 1.00 0.33 C ATOM 0 H ILE A 84 12.148 8.031 -5.350 1.00 0.41 H new ATOM 0 HA ILE A 84 12.105 8.302 -2.452 1.00 0.40 H new ATOM 0 HB ILE A 84 13.326 6.158 -4.227 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.669 6.245 -2.748 1.00 0.34 H new ATOM 0 HG13 ILE A 84 10.865 6.386 -4.484 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.329 4.815 -2.164 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.339 6.271 -1.998 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.725 6.219 -1.251 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.182 4.122 -3.861 1.00 0.33 H new ATOM 0 HD12 ILE A 84 11.811 4.107 -4.577 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.613 3.963 -2.814 1.00 0.33 H new ATOM 1299 N PRO A 85 14.347 9.398 -2.196 1.00 0.48 N ATOM 1300 CA PRO A 85 15.637 10.065 -1.985 1.00 0.57 C ATOM 1301 C PRO A 85 16.726 9.099 -1.540 1.00 0.56 C ATOM 1302 O PRO A 85 16.439 8.020 -1.025 1.00 0.55 O ATOM 1303 CB PRO A 85 15.342 11.085 -0.875 1.00 0.68 C ATOM 1304 CG PRO A 85 13.855 11.152 -0.803 1.00 0.81 C ATOM 1305 CD PRO A 85 13.378 9.787 -1.175 1.00 0.50 C ATOM 0 HA PRO A 85 16.012 10.514 -2.905 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.770 10.769 0.076 1.00 0.68 H new ATOM 0 HB3 PRO A 85 15.771 12.059 -1.109 1.00 0.68 H new ATOM 0 HG2 PRO A 85 13.522 11.425 0.198 1.00 0.81 H new ATOM 0 HG3 PRO A 85 13.462 11.905 -1.486 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.385 9.106 -0.324 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.359 9.802 -1.563 1.00 0.50 H new ATOM 1313 N ASP A 86 17.973 9.513 -1.718 1.00 0.67 N ATOM 1314 CA ASP A 86 19.128 8.669 -1.422 1.00 0.76 C ATOM 1315 C ASP A 86 19.165 8.259 0.044 1.00 0.78 C ATOM 1316 O ASP A 86 19.444 7.105 0.370 1.00 0.86 O ATOM 1317 CB ASP A 86 20.422 9.400 -1.781 1.00 0.98 C ATOM 1318 CG ASP A 86 20.494 9.762 -3.249 1.00 1.52 C ATOM 1319 OD1 ASP A 86 20.821 8.876 -4.068 1.00 1.92 O ATOM 1320 OD2 ASP A 86 20.225 10.930 -3.592 1.00 2.29 O ATOM 0 H ASP A 86 18.215 10.439 -2.070 1.00 0.67 H new ATOM 0 HA ASP A 86 19.036 7.766 -2.025 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.501 10.307 -1.182 1.00 0.98 H new ATOM 0 HB3 ASP A 86 21.274 8.772 -1.523 1.00 0.98 H new ATOM 1325 N ALA A 87 18.877 9.205 0.925 1.00 0.83 N ATOM 1326 CA ALA A 87 18.904 8.947 2.358 1.00 0.99 C ATOM 1327 C ALA A 87 17.744 8.054 2.785 1.00 0.90 C ATOM 1328 O ALA A 87 17.885 7.232 3.690 1.00 1.07 O ATOM 1329 CB ALA A 87 18.873 10.257 3.129 1.00 1.25 C ATOM 0 H ALA A 87 18.621 10.160 0.673 1.00 0.83 H new ATOM 0 HA ALA A 87 19.831 8.421 2.586 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.894 10.050 4.199 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.741 10.859 2.859 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.962 10.803 2.883 1.00 1.25 H new ATOM 1335 N ASP A 88 16.607 8.202 2.118 1.00 0.76 N ATOM 1336 CA ASP A 88 15.393 7.496 2.517 1.00 0.78 C ATOM 1337 C ASP A 88 15.292 6.130 1.849 1.00 0.62 C ATOM 1338 O ASP A 88 14.561 5.255 2.315 1.00 0.64 O ATOM 1339 CB ASP A 88 14.153 8.323 2.173 1.00 0.99 C ATOM 1340 CG ASP A 88 14.158 9.696 2.815 1.00 1.41 C ATOM 1341 OD1 ASP A 88 14.748 9.855 3.900 1.00 1.68 O ATOM 1342 OD2 ASP A 88 13.567 10.627 2.232 1.00 1.94 O ATOM 0 H ASP A 88 16.498 8.802 1.300 1.00 0.76 H new ATOM 0 HA ASP A 88 15.445 7.349 3.596 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.087 8.435 1.091 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.262 7.782 2.493 1.00 0.99 H new ATOM 1347 N ALA A 89 16.026 5.955 0.755 1.00 0.54 N ATOM 1348 CA ALA A 89 15.999 4.710 -0.007 1.00 0.49 C ATOM 1349 C ALA A 89 16.490 3.534 0.828 1.00 0.44 C ATOM 1350 O ALA A 89 15.979 2.426 0.715 1.00 0.51 O ATOM 1351 CB ALA A 89 16.842 4.846 -1.266 1.00 0.48 C ATOM 0 H ALA A 89 16.651 6.665 0.374 1.00 0.54 H new ATOM 0 HA ALA A 89 14.964 4.513 -0.287 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.814 3.911 -1.826 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.445 5.651 -1.884 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.872 5.074 -0.991 1.00 0.48 H new ATOM 1357 N VAL A 90 17.476 3.786 1.676 1.00 0.41 N ATOM 1358 CA VAL A 90 18.062 2.736 2.496 1.00 0.43 C ATOM 1359 C VAL A 90 17.401 2.718 3.882 1.00 0.43 C ATOM 1360 O VAL A 90 18.060 2.512 4.905 1.00 0.49 O ATOM 1361 CB VAL A 90 19.590 2.928 2.646 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.256 1.643 3.113 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.209 3.403 1.340 1.00 0.54 C ATOM 0 H VAL A 90 17.887 4.709 1.814 1.00 0.41 H new ATOM 0 HA VAL A 90 17.885 1.783 1.998 1.00 0.43 H new ATOM 0 HB VAL A 90 19.757 3.695 3.403 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.330 1.804 3.211 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.844 1.350 4.078 1.00 0.56 H new ATOM 0 HG13 VAL A 90 20.073 0.853 2.385 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.283 3.530 1.472 1.00 0.54 H new ATOM 0 HG22 VAL A 90 20.024 2.664 0.560 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.764 4.355 1.051 1.00 0.54 H new ATOM 1373 N GLY A 91 16.089 2.920 3.911 1.00 0.42 N ATOM 1374 CA GLY A 91 15.385 3.028 5.174 1.00 0.46 C ATOM 1375 C GLY A 91 13.955 2.527 5.106 1.00 0.43 C ATOM 1376 O GLY A 91 13.537 1.932 4.109 1.00 0.62 O ATOM 0 H GLY A 91 15.501 3.011 3.083 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.925 2.463 5.933 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.383 4.070 5.494 1.00 0.46 H new ATOM 1380 N VAL A 92 13.204 2.773 6.173 1.00 0.40 N ATOM 1381 CA VAL A 92 11.824 2.316 6.273 1.00 0.38 C ATOM 1382 C VAL A 92 10.856 3.360 5.710 1.00 0.36 C ATOM 1383 O VAL A 92 11.013 4.559 5.939 1.00 0.55 O ATOM 1384 CB VAL A 92 11.449 1.983 7.741 1.00 0.50 C ATOM 1385 CG1 VAL A 92 11.640 3.191 8.648 1.00 1.07 C ATOM 1386 CG2 VAL A 92 10.022 1.458 7.839 1.00 1.23 C ATOM 0 H VAL A 92 13.532 3.291 6.988 1.00 0.40 H new ATOM 0 HA VAL A 92 11.739 1.406 5.679 1.00 0.38 H new ATOM 0 HB VAL A 92 12.124 1.197 8.080 1.00 0.50 H new ATOM 0 HG11 VAL A 92 11.369 2.925 9.670 1.00 1.07 H new ATOM 0 HG12 VAL A 92 12.683 3.506 8.620 1.00 1.07 H new ATOM 0 HG13 VAL A 92 11.005 4.008 8.305 1.00 1.07 H new ATOM 0 HG21 VAL A 92 9.788 1.233 8.880 1.00 1.23 H new ATOM 0 HG22 VAL A 92 9.330 2.213 7.466 1.00 1.23 H new ATOM 0 HG23 VAL A 92 9.926 0.551 7.241 1.00 1.23 H new ATOM 1396 N THR A 93 9.876 2.894 4.953 1.00 0.28 N ATOM 1397 CA THR A 93 8.847 3.754 4.407 1.00 0.28 C ATOM 1398 C THR A 93 7.483 3.100 4.597 1.00 0.27 C ATOM 1399 O THR A 93 7.398 1.907 4.890 1.00 0.41 O ATOM 1400 CB THR A 93 9.085 4.032 2.910 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.250 3.328 2.458 1.00 0.63 O ATOM 1402 CG2 THR A 93 9.260 5.520 2.659 1.00 0.59 C ATOM 0 H THR A 93 9.774 1.911 4.702 1.00 0.28 H new ATOM 0 HA THR A 93 8.880 4.706 4.937 1.00 0.28 H new ATOM 0 HB THR A 93 8.213 3.684 2.356 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.033 2.824 1.646 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.427 5.692 1.596 1.00 0.59 H new ATOM 0 HG22 THR A 93 8.362 6.051 2.976 1.00 0.59 H new ATOM 0 HG23 THR A 93 10.117 5.886 3.225 1.00 0.59 H new ATOM 1410 N VAL A 94 6.420 3.870 4.448 1.00 0.25 N ATOM 1411 CA VAL A 94 5.081 3.341 4.652 1.00 0.25 C ATOM 1412 C VAL A 94 4.371 3.153 3.315 1.00 0.24 C ATOM 1413 O VAL A 94 4.454 4.007 2.432 1.00 0.28 O ATOM 1414 CB VAL A 94 4.234 4.267 5.553 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.950 3.576 5.986 1.00 0.36 C ATOM 1416 CG2 VAL A 94 5.033 4.724 6.764 1.00 0.32 C ATOM 0 H VAL A 94 6.455 4.856 4.189 1.00 0.25 H new ATOM 0 HA VAL A 94 5.188 2.377 5.150 1.00 0.25 H new ATOM 0 HB VAL A 94 3.966 5.148 4.971 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.371 4.248 6.619 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.364 3.312 5.106 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.194 2.672 6.544 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.415 5.375 7.383 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.341 3.855 7.346 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.916 5.270 6.432 1.00 0.32 H new ATOM 1426 N VAL A 95 3.697 2.022 3.165 1.00 0.22 N ATOM 1427 CA VAL A 95 2.895 1.762 1.986 1.00 0.22 C ATOM 1428 C VAL A 95 1.428 1.679 2.393 1.00 0.24 C ATOM 1429 O VAL A 95 1.044 0.854 3.226 1.00 0.34 O ATOM 1430 CB VAL A 95 3.348 0.471 1.247 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.359 -0.734 2.172 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.471 0.203 0.035 1.00 0.60 C ATOM 0 H VAL A 95 3.692 1.268 3.852 1.00 0.22 H new ATOM 0 HA VAL A 95 3.032 2.583 1.282 1.00 0.22 H new ATOM 0 HB VAL A 95 4.370 0.636 0.907 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.681 -1.615 1.617 1.00 0.54 H new ATOM 0 HG12 VAL A 95 4.048 -0.553 2.997 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.356 -0.899 2.566 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.808 -0.705 -0.465 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.436 0.078 0.355 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.538 1.043 -0.656 1.00 0.60 H new ATOM 1442 N LEU A 96 0.619 2.563 1.838 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.767 2.686 2.254 1.00 0.26 C ATOM 1444 C LEU A 96 -1.711 2.218 1.166 1.00 0.24 C ATOM 1445 O LEU A 96 -1.496 2.476 -0.011 1.00 0.38 O ATOM 1446 CB LEU A 96 -1.114 4.136 2.600 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.198 4.820 3.615 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.451 6.318 3.628 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.417 4.242 5.003 1.00 1.21 C ATOM 0 H LEU A 96 0.898 3.207 1.098 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.885 2.058 3.137 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.105 4.721 1.680 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -2.134 4.163 2.984 1.00 0.44 H new ATOM 0 HG LEU A 96 0.836 4.640 3.322 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.208 6.792 4.355 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -0.254 6.729 2.638 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.489 6.509 3.900 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.243 4.740 5.713 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.454 4.396 5.302 1.00 1.21 H new ATOM 0 HD23 LEU A 96 -0.198 3.174 4.991 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.754 1.534 1.575 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.843 1.189 0.685 1.00 0.24 C ATOM 1463 C ILE A 97 -5.107 1.874 1.165 1.00 0.26 C ATOM 1464 O ILE A 97 -5.713 1.461 2.156 1.00 0.28 O ATOM 1465 CB ILE A 97 -4.079 -0.335 0.605 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.795 -1.053 0.181 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.212 -0.645 -0.368 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.950 -2.552 0.071 1.00 0.30 C ATOM 0 H ILE A 97 -2.874 1.201 2.532 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.576 1.527 -0.316 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.364 -0.695 1.593 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.468 -0.658 -0.781 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -2.008 -0.829 0.901 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.367 -1.723 -0.414 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.127 -0.161 -0.027 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -4.952 -0.273 -1.359 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -2.001 -2.995 -0.233 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -3.247 -2.959 1.038 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.714 -2.785 -0.671 1.00 0.30 H new ATOM 1480 N THR A 98 -5.478 2.944 0.490 1.00 0.29 N ATOM 1481 CA THR A 98 -6.665 3.682 0.855 1.00 0.33 C ATOM 1482 C THR A 98 -7.777 3.380 -0.135 1.00 0.28 C ATOM 1483 O THR A 98 -7.527 3.115 -1.317 1.00 0.37 O ATOM 1484 CB THR A 98 -6.402 5.205 0.922 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.526 5.877 1.498 1.00 1.42 O ATOM 1486 CG2 THR A 98 -6.125 5.781 -0.458 1.00 1.07 C ATOM 0 H THR A 98 -4.973 3.319 -0.313 1.00 0.29 H new ATOM 0 HA THR A 98 -6.966 3.363 1.853 1.00 0.33 H new ATOM 0 HB THR A 98 -5.522 5.360 1.546 1.00 0.43 H new ATOM 0 HG1 THR A 98 -7.466 6.837 1.309 1.00 1.42 H new ATOM 0 HG21 THR A 98 -5.944 6.853 -0.375 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.247 5.297 -0.885 1.00 1.07 H new ATOM 0 HG23 THR A 98 -6.985 5.607 -1.104 1.00 1.07 H new ATOM 1494 N CYS A 99 -8.993 3.379 0.359 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.149 3.111 -0.467 1.00 0.29 C ATOM 1496 C CYS A 99 -11.079 4.312 -0.470 1.00 0.31 C ATOM 1497 O CYS A 99 -11.568 4.739 0.581 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.872 1.874 0.047 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.788 0.455 0.300 1.00 1.32 S ATOM 0 H CYS A 99 -9.209 3.563 1.339 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.824 2.927 -1.491 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.364 2.117 0.989 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.655 1.601 -0.661 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.671 -0.206 -0.813 1.00 1.32 H new ATOM 1505 N THR A 100 -11.319 4.853 -1.650 1.00 0.34 N ATOM 1506 CA THR A 100 -12.102 6.063 -1.785 1.00 0.38 C ATOM 1507 C THR A 100 -13.523 5.752 -2.238 1.00 0.37 C ATOM 1508 O THR A 100 -13.731 4.993 -3.194 1.00 0.41 O ATOM 1509 CB THR A 100 -11.456 7.020 -2.803 1.00 0.43 C ATOM 1510 OG1 THR A 100 -10.041 7.093 -2.588 1.00 0.47 O ATOM 1511 CG2 THR A 100 -12.057 8.413 -2.697 1.00 0.50 C ATOM 0 H THR A 100 -10.980 4.470 -2.532 1.00 0.34 H new ATOM 0 HA THR A 100 -12.134 6.537 -0.804 1.00 0.38 H new ATOM 0 HB THR A 100 -11.652 6.629 -3.801 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.574 6.974 -3.441 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.584 9.070 -3.427 1.00 0.50 H new ATOM 0 HG22 THR A 100 -13.128 8.363 -2.894 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.891 8.806 -1.694 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.494 6.319 -1.529 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.878 6.290 -1.963 1.00 0.40 C ATOM 1521 C TYR A 101 -16.511 7.645 -1.670 1.00 0.44 C ATOM 1522 O TYR A 101 -16.413 8.145 -0.549 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.663 5.179 -1.263 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.870 4.713 -2.045 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -17.755 3.684 -2.970 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -19.118 5.299 -1.869 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -18.845 3.250 -3.696 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.215 4.870 -2.593 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.072 3.844 -3.506 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.159 3.403 -4.225 1.00 0.65 O ATOM 0 H TYR A 101 -14.342 6.806 -0.646 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.907 6.084 -3.033 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -16.001 4.330 -1.090 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.988 5.534 -0.285 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -16.795 3.215 -3.124 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -19.233 6.102 -1.156 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -18.736 2.447 -4.410 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -21.179 5.335 -2.445 1.00 0.73 H new ATOM 0 HH TYR A 101 -21.950 3.924 -3.974 1.00 0.65 H new ATOM 1540 N ARG A 102 -17.115 8.252 -2.689 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.752 9.569 -2.560 1.00 0.59 C ATOM 1542 C ARG A 102 -16.710 10.670 -2.382 1.00 0.57 C ATOM 1543 O ARG A 102 -17.044 11.787 -1.987 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.748 9.601 -1.387 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.958 8.702 -1.585 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.801 9.182 -2.749 1.00 0.86 C ATOM 1547 NE ARG A 102 -21.859 8.241 -3.095 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.423 8.184 -4.299 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -22.054 9.040 -5.247 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -23.365 7.288 -4.552 1.00 2.45 N ATOM 0 H ARG A 102 -17.179 7.851 -3.625 1.00 0.52 H new ATOM 0 HA ARG A 102 -18.301 9.750 -3.484 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.231 9.303 -0.475 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.089 10.626 -1.240 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.630 7.678 -1.765 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.559 8.689 -0.676 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -21.244 10.146 -2.500 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -20.161 9.340 -3.617 1.00 0.86 H new ATOM 0 HE ARG A 102 -22.184 7.593 -2.377 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -21.339 9.740 -5.051 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -22.486 8.996 -6.170 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -23.660 6.639 -3.823 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.795 7.247 -5.476 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.447 10.356 -2.668 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.393 11.339 -2.528 1.00 0.53 C ATOM 1566 C GLY A 103 -13.800 11.296 -1.142 1.00 0.49 C ATOM 1567 O GLY A 103 -12.804 11.956 -0.848 1.00 0.57 O ATOM 0 H GLY A 103 -15.139 9.440 -2.993 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.614 11.151 -3.267 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.789 12.335 -2.728 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.426 10.500 -0.293 1.00 0.45 N ATOM 1572 CA GLN A 104 -13.989 10.333 1.074 1.00 0.44 C ATOM 1573 C GLN A 104 -13.432 8.934 1.270 1.00 0.37 C ATOM 1574 O GLN A 104 -13.978 7.956 0.758 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.154 10.582 2.028 1.00 0.51 C ATOM 1576 CG GLN A 104 -15.665 12.015 1.987 1.00 0.66 C ATOM 1577 CD GLN A 104 -16.835 12.277 2.923 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -17.699 11.289 3.123 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -16.971 13.376 3.456 1.00 0.98 N flip ATOM 0 H GLN A 104 -15.252 9.953 -0.536 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.202 11.056 1.290 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -15.971 9.904 1.779 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -14.841 10.344 3.044 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -14.848 12.690 2.244 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -15.967 12.254 0.967 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -16.290 14.115 3.282 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -17.765 13.549 4.072 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.336 8.843 1.984 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.712 7.564 2.252 1.00 0.32 C ATOM 1590 C GLU A 105 -12.310 6.956 3.508 1.00 0.32 C ATOM 1591 O GLU A 105 -12.506 7.651 4.503 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.212 7.758 2.406 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.580 8.422 1.195 1.00 0.49 C ATOM 1594 CD GLU A 105 -8.287 9.134 1.543 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.344 10.276 2.051 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -7.204 8.560 1.289 1.00 1.59 O ATOM 0 H GLU A 105 -11.853 9.643 2.393 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.893 6.882 1.421 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.017 8.364 3.291 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.740 6.790 2.572 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -9.384 7.670 0.431 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.283 9.137 0.766 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.627 5.671 3.454 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.255 5.002 4.586 1.00 0.27 C ATOM 1605 C PHE A 106 -12.292 4.047 5.275 1.00 0.26 C ATOM 1606 O PHE A 106 -12.561 3.572 6.376 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.517 4.256 4.142 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.326 3.374 2.941 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -13.921 2.056 3.082 1.00 0.28 C ATOM 1610 CD2 PHE A 106 -14.570 3.862 1.668 1.00 0.27 C ATOM 1611 CE1 PHE A 106 -13.767 1.242 1.977 1.00 0.31 C ATOM 1612 CE2 PHE A 106 -14.412 3.055 0.562 1.00 0.29 C ATOM 1613 CZ PHE A 106 -14.013 1.746 0.714 1.00 0.31 C ATOM 0 H PHE A 106 -12.462 5.073 2.644 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.537 5.771 5.306 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.875 3.647 4.972 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.297 4.985 3.922 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -13.724 1.661 4.068 1.00 0.28 H new ATOM 0 HD2 PHE A 106 -14.888 4.886 1.541 1.00 0.27 H new ATOM 0 HE1 PHE A 106 -13.455 0.215 2.100 1.00 0.31 H new ATOM 0 HE2 PHE A 106 -14.601 3.450 -0.425 1.00 0.29 H new ATOM 0 HZ PHE A 106 -13.892 1.114 -0.153 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.186 3.748 4.623 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.163 2.912 5.223 1.00 0.24 C ATOM 1625 C ILE A 107 -8.811 3.201 4.592 1.00 0.22 C ATOM 1626 O ILE A 107 -8.729 3.549 3.413 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.483 1.404 5.113 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.485 0.596 5.955 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.467 0.949 3.660 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.623 -0.906 5.801 1.00 0.37 C ATOM 0 H ILE A 107 -10.972 4.070 3.679 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.137 3.159 6.284 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.487 1.230 5.500 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.472 0.888 5.678 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.616 0.857 7.005 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.695 -0.116 3.610 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.214 1.507 3.096 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.480 1.129 3.233 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -8.884 -1.405 6.427 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.623 -1.213 6.106 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.461 -1.181 4.759 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.767 3.080 5.385 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.418 3.233 4.904 1.00 0.24 C ATOM 1644 C ARG A 108 -5.502 2.244 5.614 1.00 0.24 C ATOM 1645 O ARG A 108 -5.271 2.351 6.821 1.00 0.29 O ATOM 1646 CB ARG A 108 -5.958 4.662 5.146 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.506 4.922 4.809 1.00 0.34 C ATOM 1648 CD ARG A 108 -4.087 6.273 5.342 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.566 6.473 6.710 1.00 0.60 N ATOM 1650 CZ ARG A 108 -4.421 7.614 7.386 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.806 8.647 6.823 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -4.893 7.722 8.621 1.00 0.95 N ATOM 0 H ARG A 108 -7.834 2.873 6.381 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.381 3.027 3.834 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.580 5.335 4.556 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.124 4.911 6.194 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.879 4.141 5.239 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.363 4.887 3.729 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -3.000 6.355 5.319 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.480 7.059 4.697 1.00 0.58 H new ATOM 0 HE ARG A 108 -5.037 5.696 7.173 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.444 8.569 5.873 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -3.696 9.519 7.341 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -5.368 6.931 9.056 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -4.781 8.596 9.135 1.00 0.95 H new ATOM 1666 N VAL A 109 -5.023 1.267 4.864 1.00 0.22 N ATOM 1667 CA VAL A 109 -4.100 0.267 5.384 1.00 0.22 C ATOM 1668 C VAL A 109 -2.669 0.777 5.291 1.00 0.24 C ATOM 1669 O VAL A 109 -2.265 1.292 4.261 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.222 -1.058 4.598 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.099 -2.018 4.958 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.577 -1.702 4.852 1.00 0.27 C ATOM 0 H VAL A 109 -5.261 1.142 3.880 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.356 0.082 6.427 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.137 -0.828 3.536 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.213 -2.941 4.389 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.139 -1.560 4.720 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.140 -2.242 6.024 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.648 -2.634 4.292 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.688 -1.909 5.916 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.368 -1.024 4.530 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.915 0.649 6.368 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.541 1.092 6.358 1.00 0.25 C ATOM 1684 C GLY A 110 0.427 -0.001 6.745 1.00 0.21 C ATOM 1685 O GLY A 110 0.382 -0.507 7.863 1.00 0.27 O ATOM 0 H GLY A 110 -2.231 0.246 7.250 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.289 1.459 5.363 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.429 1.931 7.045 1.00 0.25 H new ATOM 1689 N TYR A 111 1.289 -0.380 5.820 1.00 0.23 N ATOM 1690 CA TYR A 111 2.340 -1.337 6.116 1.00 0.24 C ATOM 1691 C TYR A 111 3.697 -0.658 6.084 1.00 0.23 C ATOM 1692 O TYR A 111 3.978 0.152 5.201 1.00 0.27 O ATOM 1693 CB TYR A 111 2.312 -2.515 5.141 1.00 0.32 C ATOM 1694 CG TYR A 111 1.191 -3.487 5.419 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.185 -4.244 6.583 1.00 0.29 C ATOM 1696 CD2 TYR A 111 0.136 -3.639 4.532 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.161 -5.126 6.854 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -0.896 -4.519 4.795 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.878 -5.261 5.960 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.901 -6.138 6.235 1.00 0.40 O ATOM 0 H TYR A 111 1.283 -0.041 4.858 1.00 0.23 H new ATOM 0 HA TYR A 111 2.163 -1.728 7.118 1.00 0.24 H new ATOM 0 HB2 TYR A 111 2.212 -2.135 4.124 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.264 -3.043 5.191 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.996 -4.140 7.288 1.00 0.29 H new ATOM 0 HD2 TYR A 111 0.121 -3.060 3.621 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.173 -5.709 7.763 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.711 -4.626 4.095 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.901 -6.859 5.571 1.00 0.40 H new ATOM 1710 N TYR A 112 4.525 -0.974 7.058 1.00 0.25 N ATOM 1711 CA TYR A 112 5.841 -0.376 7.154 1.00 0.25 C ATOM 1712 C TYR A 112 6.876 -1.300 6.536 1.00 0.27 C ATOM 1713 O TYR A 112 7.151 -2.377 7.054 1.00 0.33 O ATOM 1714 CB TYR A 112 6.179 -0.082 8.619 1.00 0.29 C ATOM 1715 CG TYR A 112 5.210 0.881 9.271 1.00 0.37 C ATOM 1716 CD1 TYR A 112 3.980 0.444 9.743 1.00 0.50 C ATOM 1717 CD2 TYR A 112 5.534 2.223 9.430 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.101 1.317 10.356 1.00 0.62 C ATOM 1719 CE2 TYR A 112 4.659 3.101 10.038 1.00 0.60 C ATOM 1720 CZ TYR A 112 3.414 2.654 10.436 1.00 0.64 C ATOM 1721 OH TYR A 112 2.574 3.514 11.115 1.00 0.78 O ATOM 0 H TYR A 112 4.309 -1.644 7.797 1.00 0.25 H new ATOM 0 HA TYR A 112 5.848 0.566 6.605 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.184 -1.017 9.179 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.186 0.330 8.677 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.705 -0.594 9.630 1.00 0.50 H new ATOM 0 HD2 TYR A 112 6.486 2.585 9.072 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.173 0.951 10.770 1.00 0.62 H new ATOM 0 HE2 TYR A 112 4.946 4.129 10.201 1.00 0.60 H new ATOM 0 HH TYR A 112 2.938 4.423 11.079 1.00 0.78 H new ATOM 1731 N VAL A 113 7.420 -0.889 5.408 1.00 0.27 N ATOM 1732 CA VAL A 113 8.416 -1.681 4.714 1.00 0.31 C ATOM 1733 C VAL A 113 9.819 -1.136 4.966 1.00 0.28 C ATOM 1734 O VAL A 113 10.068 0.063 4.834 1.00 0.31 O ATOM 1735 CB VAL A 113 8.134 -1.733 3.194 1.00 0.42 C ATOM 1736 CG1 VAL A 113 7.943 -0.337 2.617 1.00 0.96 C ATOM 1737 CG2 VAL A 113 9.258 -2.451 2.476 1.00 1.19 C ATOM 0 H VAL A 113 7.188 -0.007 4.951 1.00 0.27 H new ATOM 0 HA VAL A 113 8.358 -2.695 5.109 1.00 0.31 H new ATOM 0 HB VAL A 113 7.207 -2.286 3.043 1.00 0.42 H new ATOM 0 HG11 VAL A 113 7.747 -0.409 1.547 1.00 0.96 H new ATOM 0 HG12 VAL A 113 7.100 0.148 3.109 1.00 0.96 H new ATOM 0 HG13 VAL A 113 8.846 0.251 2.781 1.00 0.96 H new ATOM 0 HG21 VAL A 113 9.047 -2.480 1.407 1.00 1.19 H new ATOM 0 HG22 VAL A 113 10.195 -1.921 2.646 1.00 1.19 H new ATOM 0 HG23 VAL A 113 9.342 -3.469 2.857 1.00 1.19 H new ATOM 1747 N ASN A 114 10.722 -2.022 5.350 1.00 0.29 N ATOM 1748 CA ASN A 114 12.112 -1.648 5.563 1.00 0.32 C ATOM 1749 C ASN A 114 12.939 -1.981 4.338 1.00 0.32 C ATOM 1750 O ASN A 114 13.035 -3.141 3.942 1.00 0.35 O ATOM 1751 CB ASN A 114 12.698 -2.359 6.785 1.00 0.42 C ATOM 1752 CG ASN A 114 12.139 -1.834 8.088 1.00 0.84 C ATOM 1753 OD1 ASN A 114 11.147 -2.343 8.602 1.00 1.63 O ATOM 1754 ND2 ASN A 114 12.773 -0.810 8.630 1.00 1.28 N ATOM 0 H ASN A 114 10.518 -3.007 5.521 1.00 0.29 H new ATOM 0 HA ASN A 114 12.142 -0.573 5.742 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.495 -3.427 6.711 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.781 -2.240 6.785 1.00 0.42 H new ATOM 0 HD21 ASN A 114 12.442 -0.412 9.509 1.00 1.28 H new ATOM 0 HD22 ASN A 114 13.594 -0.417 8.170 1.00 1.28 H new ATOM 1761 N ASN A 115 13.527 -0.961 3.739 1.00 0.34 N ATOM 1762 CA ASN A 115 14.341 -1.149 2.549 1.00 0.39 C ATOM 1763 C ASN A 115 15.815 -1.116 2.917 1.00 0.43 C ATOM 1764 O ASN A 115 16.355 -0.071 3.272 1.00 0.50 O ATOM 1765 CB ASN A 115 14.046 -0.079 1.494 1.00 0.48 C ATOM 1766 CG ASN A 115 12.572 0.037 1.154 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.066 -0.659 0.278 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.877 0.934 1.837 1.00 0.60 N ATOM 0 H ASN A 115 13.457 0.006 4.056 1.00 0.34 H new ATOM 0 HA ASN A 115 14.092 -2.121 2.124 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.406 0.885 1.854 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.604 -0.309 0.587 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.884 1.066 1.643 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.334 1.493 2.557 1.00 0.60 H new ATOM 1775 N GLU A 116 16.452 -2.269 2.854 1.00 0.42 N ATOM 1776 CA GLU A 116 17.871 -2.386 3.154 1.00 0.50 C ATOM 1777 C GLU A 116 18.545 -3.248 2.107 1.00 0.45 C ATOM 1778 O GLU A 116 17.918 -4.138 1.549 1.00 0.54 O ATOM 1779 CB GLU A 116 18.095 -3.006 4.532 1.00 0.69 C ATOM 1780 CG GLU A 116 17.581 -2.164 5.685 1.00 1.26 C ATOM 1781 CD GLU A 116 17.936 -2.766 7.024 1.00 1.58 C ATOM 1782 OE1 GLU A 116 19.104 -2.632 7.445 1.00 1.97 O ATOM 1783 OE2 GLU A 116 17.054 -3.374 7.660 1.00 1.87 O ATOM 0 H GLU A 116 16.006 -3.149 2.595 1.00 0.42 H new ATOM 0 HA GLU A 116 18.300 -1.384 3.149 1.00 0.50 H new ATOM 0 HB2 GLU A 116 17.607 -3.980 4.563 1.00 0.69 H new ATOM 0 HB3 GLU A 116 19.162 -3.179 4.671 1.00 0.69 H new ATOM 0 HG2 GLU A 116 17.999 -1.160 5.616 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.498 -2.064 5.607 1.00 1.26 H new ATOM 1790 N TYR A 117 19.813 -2.980 1.838 1.00 0.46 N ATOM 1791 CA TYR A 117 20.573 -3.771 0.883 1.00 0.46 C ATOM 1792 C TYR A 117 20.543 -5.256 1.238 1.00 0.52 C ATOM 1793 O TYR A 117 20.447 -5.631 2.410 1.00 0.60 O ATOM 1794 CB TYR A 117 22.025 -3.304 0.835 1.00 0.48 C ATOM 1795 CG TYR A 117 22.226 -1.903 0.304 1.00 0.48 C ATOM 1796 CD1 TYR A 117 22.163 -1.642 -1.061 1.00 0.55 C ATOM 1797 CD2 TYR A 117 22.435 -0.832 1.166 1.00 0.54 C ATOM 1798 CE1 TYR A 117 22.306 -0.362 -1.547 1.00 0.61 C ATOM 1799 CE2 TYR A 117 22.567 0.453 0.684 1.00 0.59 C ATOM 1800 CZ TYR A 117 22.691 0.653 -0.669 1.00 0.60 C ATOM 1801 OH TYR A 117 22.621 1.954 -1.156 1.00 0.69 O ATOM 0 H TYR A 117 20.338 -2.219 2.269 1.00 0.46 H new ATOM 0 HA TYR A 117 20.107 -3.632 -0.093 1.00 0.46 H new ATOM 0 HB2 TYR A 117 22.443 -3.359 1.840 1.00 0.48 H new ATOM 0 HB3 TYR A 117 22.594 -3.997 0.215 1.00 0.48 H new ATOM 0 HD1 TYR A 117 21.999 -2.457 -1.751 1.00 0.55 H new ATOM 0 HD2 TYR A 117 22.495 -1.010 2.230 1.00 0.54 H new ATOM 0 HE1 TYR A 117 22.124 -0.147 -2.589 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.573 1.293 1.363 1.00 0.59 H new ATOM 0 HH TYR A 117 22.911 2.580 -0.460 1.00 0.69 H new ATOM 1811 N THR A 118 20.643 -6.090 0.220 1.00 0.54 N ATOM 1812 CA THR A 118 20.697 -7.530 0.404 1.00 0.65 C ATOM 1813 C THR A 118 22.119 -7.924 0.724 1.00 0.74 C ATOM 1814 O THR A 118 22.390 -8.958 1.337 1.00 0.84 O ATOM 1815 CB THR A 118 20.244 -8.271 -0.870 1.00 0.67 C ATOM 1816 OG1 THR A 118 20.980 -7.785 -2.001 1.00 0.66 O ATOM 1817 CG2 THR A 118 18.757 -8.082 -1.116 1.00 0.77 C ATOM 0 H THR A 118 20.689 -5.791 -0.754 1.00 0.54 H new ATOM 0 HA THR A 118 20.026 -7.804 1.218 1.00 0.65 H new ATOM 0 HB THR A 118 20.438 -9.334 -0.730 1.00 0.67 H new ATOM 0 HG1 THR A 118 21.873 -8.188 -2.008 1.00 0.66 H new ATOM 0 HG21 THR A 118 18.467 -8.616 -2.021 1.00 0.77 H new ATOM 0 HG22 THR A 118 18.195 -8.474 -0.268 1.00 0.77 H new ATOM 0 HG23 THR A 118 18.540 -7.021 -1.236 1.00 0.77 H new ATOM 1825 N GLU A 119 23.021 -7.053 0.313 1.00 0.78 N ATOM 1826 CA GLU A 119 24.437 -7.283 0.458 1.00 0.92 C ATOM 1827 C GLU A 119 24.895 -6.777 1.813 1.00 0.95 C ATOM 1828 O GLU A 119 24.714 -5.596 2.124 1.00 0.90 O ATOM 1829 CB GLU A 119 25.190 -6.551 -0.646 1.00 1.00 C ATOM 1830 CG GLU A 119 24.424 -6.513 -1.953 1.00 1.29 C ATOM 1831 CD GLU A 119 24.399 -7.837 -2.678 1.00 1.50 C ATOM 1832 OE1 GLU A 119 23.599 -8.714 -2.298 1.00 1.67 O ATOM 1833 OE2 GLU A 119 25.161 -7.991 -3.655 1.00 2.24 O ATOM 0 H GLU A 119 22.787 -6.165 -0.131 1.00 0.78 H new ATOM 0 HA GLU A 119 24.641 -8.351 0.383 1.00 0.92 H new ATOM 0 HB2 GLU A 119 25.399 -5.531 -0.323 1.00 1.00 H new ATOM 0 HB3 GLU A 119 26.152 -7.037 -0.808 1.00 1.00 H new ATOM 0 HG2 GLU A 119 23.400 -6.197 -1.755 1.00 1.29 H new ATOM 0 HG3 GLU A 119 24.869 -5.760 -2.604 1.00 1.29 H new ATOM 1840 N THR A 120 25.475 -7.658 2.615 1.00 1.07 N ATOM 1841 CA THR A 120 26.014 -7.276 3.913 1.00 1.14 C ATOM 1842 C THR A 120 26.983 -6.109 3.753 1.00 1.12 C ATOM 1843 O THR A 120 26.987 -5.166 4.546 1.00 1.13 O ATOM 1844 CB THR A 120 26.743 -8.464 4.567 1.00 1.31 C ATOM 1845 OG1 THR A 120 25.892 -9.617 4.540 1.00 1.36 O ATOM 1846 CG2 THR A 120 27.133 -8.152 6.004 1.00 1.41 C ATOM 0 H THR A 120 25.585 -8.646 2.389 1.00 1.07 H new ATOM 0 HA THR A 120 25.185 -6.975 4.554 1.00 1.14 H new ATOM 0 HB THR A 120 27.656 -8.658 4.003 1.00 1.31 H new ATOM 0 HG1 THR A 120 26.355 -10.375 4.954 1.00 1.36 H new ATOM 0 HG21 THR A 120 27.646 -9.011 6.437 1.00 1.41 H new ATOM 0 HG22 THR A 120 27.796 -7.287 6.021 1.00 1.41 H new ATOM 0 HG23 THR A 120 26.237 -7.934 6.585 1.00 1.41 H new ATOM 1854 N GLU A 121 27.769 -6.172 2.686 1.00 1.13 N ATOM 1855 CA GLU A 121 28.749 -5.146 2.378 1.00 1.14 C ATOM 1856 C GLU A 121 28.087 -3.788 2.154 1.00 1.03 C ATOM 1857 O GLU A 121 28.575 -2.767 2.636 1.00 1.09 O ATOM 1858 CB GLU A 121 29.537 -5.536 1.128 1.00 1.18 C ATOM 1859 CG GLU A 121 30.678 -4.589 0.809 1.00 1.27 C ATOM 1860 CD GLU A 121 31.754 -4.613 1.869 1.00 1.56 C ATOM 1861 OE1 GLU A 121 32.607 -5.520 1.842 1.00 2.05 O ATOM 1862 OE2 GLU A 121 31.752 -3.716 2.735 1.00 2.21 O ATOM 0 H GLU A 121 27.743 -6.937 2.012 1.00 1.13 H new ATOM 0 HA GLU A 121 29.422 -5.064 3.232 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.937 -6.542 1.260 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.857 -5.572 0.277 1.00 1.18 H new ATOM 0 HG2 GLU A 121 31.113 -4.858 -0.154 1.00 1.27 H new ATOM 0 HG3 GLU A 121 30.290 -3.575 0.711 1.00 1.27 H new ATOM 1869 N LEU A 122 26.962 -3.774 1.443 1.00 0.90 N ATOM 1870 CA LEU A 122 26.349 -2.515 1.059 1.00 0.82 C ATOM 1871 C LEU A 122 25.540 -1.925 2.208 1.00 0.82 C ATOM 1872 O LEU A 122 25.321 -0.719 2.262 1.00 0.83 O ATOM 1873 CB LEU A 122 25.479 -2.694 -0.184 1.00 0.75 C ATOM 1874 CG LEU A 122 26.229 -3.128 -1.446 1.00 0.82 C ATOM 1875 CD1 LEU A 122 25.290 -3.140 -2.640 1.00 0.88 C ATOM 1876 CD2 LEU A 122 27.417 -2.213 -1.711 1.00 0.87 C ATOM 0 H LEU A 122 26.467 -4.608 1.128 1.00 0.90 H new ATOM 0 HA LEU A 122 27.147 -1.812 0.818 1.00 0.82 H new ATOM 0 HB2 LEU A 122 24.709 -3.434 0.034 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.968 -1.753 -0.389 1.00 0.75 H new ATOM 0 HG LEU A 122 26.607 -4.138 -1.290 1.00 0.82 H new ATOM 0 HD11 LEU A 122 25.837 -3.450 -3.530 1.00 0.88 H new ATOM 0 HD12 LEU A 122 24.474 -3.838 -2.454 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.884 -2.140 -2.794 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.935 -2.541 -2.613 1.00 0.87 H new ATOM 0 HD22 LEU A 122 27.065 -1.190 -1.846 1.00 0.87 H new ATOM 0 HD23 LEU A 122 28.102 -2.252 -0.864 1.00 0.87 H new ATOM 1888 N ARG A 123 25.100 -2.777 3.130 1.00 0.86 N ATOM 1889 CA ARG A 123 24.414 -2.303 4.331 1.00 0.94 C ATOM 1890 C ARG A 123 25.400 -1.558 5.212 1.00 1.11 C ATOM 1891 O ARG A 123 25.066 -0.552 5.846 1.00 1.19 O ATOM 1892 CB ARG A 123 23.811 -3.468 5.117 1.00 0.98 C ATOM 1893 CG ARG A 123 22.788 -4.273 4.340 1.00 0.89 C ATOM 1894 CD ARG A 123 22.182 -5.364 5.204 1.00 1.00 C ATOM 1895 NE ARG A 123 21.328 -4.824 6.260 1.00 1.20 N ATOM 1896 CZ ARG A 123 21.238 -5.342 7.486 1.00 1.56 C ATOM 1897 NH1 ARG A 123 21.987 -6.382 7.835 1.00 1.82 N ATOM 1898 NH2 ARG A 123 20.402 -4.809 8.369 1.00 2.03 N ATOM 0 H ARG A 123 25.204 -3.790 3.071 1.00 0.86 H new ATOM 0 HA ARG A 123 23.605 -1.639 4.026 1.00 0.94 H new ATOM 0 HB2 ARG A 123 24.614 -4.132 5.436 1.00 0.98 H new ATOM 0 HB3 ARG A 123 23.342 -3.079 6.021 1.00 0.98 H new ATOM 0 HG2 ARG A 123 22.000 -3.613 3.977 1.00 0.89 H new ATOM 0 HG3 ARG A 123 23.260 -4.718 3.464 1.00 0.89 H new ATOM 0 HD2 ARG A 123 21.599 -6.039 4.577 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.981 -5.955 5.652 1.00 1.00 H new ATOM 0 HE ARG A 123 20.766 -4.000 6.046 1.00 1.20 H new ATOM 0 HH11 ARG A 123 22.637 -6.791 7.164 1.00 1.82 H new ATOM 0 HH12 ARG A 123 21.912 -6.772 8.774 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.830 -4.005 8.109 1.00 2.03 H new ATOM 0 HH22 ARG A 123 20.331 -5.203 9.307 1.00 2.03 H new ATOM 1912 N GLU A 124 26.622 -2.072 5.236 1.00 1.20 N ATOM 1913 CA GLU A 124 27.703 -1.472 5.996 1.00 1.39 C ATOM 1914 C GLU A 124 28.226 -0.221 5.301 1.00 1.37 C ATOM 1915 O GLU A 124 28.544 0.772 5.955 1.00 1.49 O ATOM 1916 CB GLU A 124 28.839 -2.481 6.180 1.00 1.53 C ATOM 1917 CG GLU A 124 28.447 -3.703 6.996 1.00 1.66 C ATOM 1918 CD GLU A 124 28.159 -3.373 8.445 1.00 2.03 C ATOM 1919 OE1 GLU A 124 29.111 -3.355 9.251 1.00 2.06 O ATOM 1920 OE2 GLU A 124 26.982 -3.132 8.789 1.00 2.84 O ATOM 0 H GLU A 124 26.889 -2.916 4.729 1.00 1.20 H new ATOM 0 HA GLU A 124 27.316 -1.186 6.974 1.00 1.39 H new ATOM 0 HB2 GLU A 124 29.186 -2.806 5.199 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.678 -1.984 6.667 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.565 -4.164 6.551 1.00 1.66 H new ATOM 0 HG3 GLU A 124 29.250 -4.439 6.948 1.00 1.66 H new ATOM 1927 N ASN A 125 28.310 -0.258 3.975 1.00 1.27 N ATOM 1928 CA ASN A 125 28.839 0.872 3.224 1.00 1.30 C ATOM 1929 C ASN A 125 27.948 1.206 2.038 1.00 1.14 C ATOM 1930 O ASN A 125 28.179 0.713 0.934 1.00 1.10 O ATOM 1931 CB ASN A 125 30.256 0.579 2.710 1.00 1.45 C ATOM 1932 CG ASN A 125 31.221 0.167 3.805 1.00 1.58 C ATOM 1933 OD1 ASN A 125 31.846 1.008 4.452 1.00 2.19 O ATOM 1934 ND2 ASN A 125 31.373 -1.133 4.001 1.00 1.62 N ATOM 0 H ASN A 125 28.021 -1.052 3.403 1.00 1.27 H new ATOM 0 HA ASN A 125 28.869 1.722 3.906 1.00 1.30 H new ATOM 0 HB2 ASN A 125 30.207 -0.213 1.963 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.644 1.466 2.209 1.00 1.45 H new ATOM 0 HD21 ASN A 125 32.026 -1.469 4.709 1.00 1.62 H new ATOM 0 HD22 ASN A 125 30.837 -1.799 3.445 1.00 1.62 H new ATOM 1941 N PRO A 126 26.878 1.994 2.252 1.00 1.13 N ATOM 1942 CA PRO A 126 26.099 2.554 1.152 1.00 1.06 C ATOM 1943 C PRO A 126 26.983 3.368 0.219 1.00 1.09 C ATOM 1944 O PRO A 126 27.568 4.378 0.624 1.00 1.19 O ATOM 1945 CB PRO A 126 25.079 3.460 1.844 1.00 1.15 C ATOM 1946 CG PRO A 126 24.948 2.889 3.211 1.00 1.23 C ATOM 1947 CD PRO A 126 26.312 2.353 3.564 1.00 1.24 C ATOM 0 HA PRO A 126 25.634 1.783 0.537 1.00 1.06 H new ATOM 0 HB2 PRO A 126 25.423 4.494 1.876 1.00 1.15 H new ATOM 0 HB3 PRO A 126 24.124 3.458 1.319 1.00 1.15 H new ATOM 0 HG2 PRO A 126 24.630 3.650 3.924 1.00 1.23 H new ATOM 0 HG3 PRO A 126 24.199 2.098 3.234 1.00 1.23 H new ATOM 0 HD2 PRO A 126 26.919 3.100 4.074 1.00 1.24 H new ATOM 0 HD3 PRO A 126 26.247 1.489 4.225 1.00 1.24 H new ATOM 1955 N PRO A 127 27.106 2.922 -1.031 1.00 1.05 N ATOM 1956 CA PRO A 127 27.922 3.591 -2.046 1.00 1.13 C ATOM 1957 C PRO A 127 27.395 4.991 -2.342 1.00 1.19 C ATOM 1958 O PRO A 127 26.295 5.332 -1.903 1.00 1.14 O ATOM 1959 CB PRO A 127 27.802 2.671 -3.268 1.00 1.11 C ATOM 1960 CG PRO A 127 27.337 1.366 -2.712 1.00 1.01 C ATOM 1961 CD PRO A 127 26.447 1.725 -1.568 1.00 0.97 C ATOM 0 HA PRO A 127 28.956 3.737 -1.733 1.00 1.13 H new ATOM 0 HB2 PRO A 127 27.093 3.068 -3.995 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.758 2.566 -3.780 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.800 0.787 -3.463 1.00 1.01 H new ATOM 0 HG3 PRO A 127 28.178 0.757 -2.381 1.00 1.01 H new ATOM 0 HD2 PRO A 127 25.428 1.932 -1.894 1.00 0.97 H new ATOM 0 HD3 PRO A 127 26.389 0.925 -0.830 1.00 0.97 H new ATOM 1969 N VAL A 128 28.205 5.797 -3.044 1.00 1.34 N ATOM 1970 CA VAL A 128 27.881 7.204 -3.344 1.00 1.44 C ATOM 1971 C VAL A 128 26.375 7.429 -3.539 1.00 1.22 C ATOM 1972 O VAL A 128 25.796 8.332 -2.934 1.00 1.28 O ATOM 1973 CB VAL A 128 28.668 7.711 -4.581 1.00 1.71 C ATOM 1974 CG1 VAL A 128 28.461 6.809 -5.792 1.00 1.92 C ATOM 1975 CG2 VAL A 128 28.287 9.147 -4.914 1.00 2.16 C ATOM 0 H VAL A 128 29.103 5.494 -3.421 1.00 1.34 H new ATOM 0 HA VAL A 128 28.188 7.784 -2.474 1.00 1.44 H new ATOM 0 HB VAL A 128 29.727 7.682 -4.325 1.00 1.71 H new ATOM 0 HG11 VAL A 128 29.029 7.198 -6.637 1.00 1.92 H new ATOM 0 HG12 VAL A 128 28.804 5.801 -5.558 1.00 1.92 H new ATOM 0 HG13 VAL A 128 27.402 6.781 -6.048 1.00 1.92 H new ATOM 0 HG21 VAL A 128 28.852 9.481 -5.785 1.00 2.16 H new ATOM 0 HG22 VAL A 128 27.220 9.199 -5.131 1.00 2.16 H new ATOM 0 HG23 VAL A 128 28.516 9.791 -4.065 1.00 2.16 H new ATOM 1985 N LYS A 129 25.742 6.592 -4.349 1.00 1.07 N ATOM 1986 CA LYS A 129 24.295 6.606 -4.474 1.00 0.88 C ATOM 1987 C LYS A 129 23.750 5.213 -4.193 1.00 0.76 C ATOM 1988 O LYS A 129 24.292 4.221 -4.688 1.00 0.80 O ATOM 1989 CB LYS A 129 23.862 7.065 -5.870 1.00 1.00 C ATOM 1990 CG LYS A 129 24.291 8.481 -6.227 1.00 1.12 C ATOM 1991 CD LYS A 129 23.794 9.501 -5.214 1.00 1.29 C ATOM 1992 CE LYS A 129 22.899 10.543 -5.863 1.00 1.46 C ATOM 1993 NZ LYS A 129 21.604 9.964 -6.310 1.00 1.96 N ATOM 0 H LYS A 129 26.210 5.895 -4.929 1.00 1.07 H new ATOM 0 HA LYS A 129 23.893 7.314 -3.749 1.00 0.88 H new ATOM 0 HB2 LYS A 129 24.272 6.377 -6.609 1.00 1.00 H new ATOM 0 HB3 LYS A 129 22.776 6.999 -5.941 1.00 1.00 H new ATOM 0 HG2 LYS A 129 25.379 8.527 -6.283 1.00 1.12 H new ATOM 0 HG3 LYS A 129 23.910 8.737 -7.216 1.00 1.12 H new ATOM 0 HD2 LYS A 129 23.245 8.991 -4.423 1.00 1.29 H new ATOM 0 HD3 LYS A 129 24.646 9.993 -4.745 1.00 1.29 H new ATOM 0 HE2 LYS A 129 22.710 11.350 -5.155 1.00 1.46 H new ATOM 0 HE3 LYS A 129 23.414 10.982 -6.717 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 20.915 10.729 -6.461 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 21.745 9.444 -7.200 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 21.245 9.313 -5.582 1.00 1.96 H new ATOM 2007 N PRO A 130 22.697 5.117 -3.365 1.00 0.66 N ATOM 2008 CA PRO A 130 22.028 3.849 -3.063 1.00 0.57 C ATOM 2009 C PRO A 130 21.540 3.135 -4.317 1.00 0.52 C ATOM 2010 O PRO A 130 21.534 3.701 -5.410 1.00 0.64 O ATOM 2011 CB PRO A 130 20.840 4.254 -2.183 1.00 0.55 C ATOM 2012 CG PRO A 130 20.700 5.724 -2.375 1.00 0.64 C ATOM 2013 CD PRO A 130 22.085 6.230 -2.635 1.00 0.71 C ATOM 0 HA PRO A 130 22.707 3.147 -2.579 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.932 3.729 -2.480 1.00 0.55 H new ATOM 0 HB3 PRO A 130 21.022 4.008 -1.137 1.00 0.55 H new ATOM 0 HG2 PRO A 130 20.037 5.949 -3.211 1.00 0.64 H new ATOM 0 HG3 PRO A 130 20.270 6.195 -1.491 1.00 0.64 H new ATOM 0 HD2 PRO A 130 22.078 7.147 -3.224 1.00 0.71 H new ATOM 0 HD3 PRO A 130 22.617 6.450 -1.710 1.00 0.71 H new ATOM 2021 N ASP A 131 21.107 1.894 -4.159 1.00 0.45 N ATOM 2022 CA ASP A 131 20.727 1.095 -5.308 1.00 0.45 C ATOM 2023 C ASP A 131 19.424 0.366 -5.051 1.00 0.39 C ATOM 2024 O ASP A 131 19.288 -0.369 -4.072 1.00 0.39 O ATOM 2025 CB ASP A 131 21.823 0.100 -5.679 1.00 0.53 C ATOM 2026 CG ASP A 131 21.511 -0.609 -6.977 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.728 -0.017 -8.046 1.00 1.06 O ATOM 2028 OD2 ASP A 131 21.081 -1.782 -6.929 1.00 1.28 O ATOM 0 H ASP A 131 21.011 1.425 -3.258 1.00 0.45 H new ATOM 0 HA ASP A 131 20.587 1.775 -6.148 1.00 0.45 H new ATOM 0 HB2 ASP A 131 22.775 0.623 -5.768 1.00 0.53 H new ATOM 0 HB3 ASP A 131 21.936 -0.633 -4.881 1.00 0.53 H new ATOM 2033 N PHE A 132 18.474 0.591 -5.937 1.00 0.38 N ATOM 2034 CA PHE A 132 17.134 0.046 -5.805 1.00 0.35 C ATOM 2035 C PHE A 132 17.085 -1.420 -6.250 1.00 0.37 C ATOM 2036 O PHE A 132 16.119 -2.132 -5.981 1.00 0.38 O ATOM 2037 CB PHE A 132 16.155 0.902 -6.619 1.00 0.38 C ATOM 2038 CG PHE A 132 16.130 2.353 -6.199 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.127 3.230 -6.602 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.102 2.839 -5.405 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.098 4.558 -6.222 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.068 4.167 -5.025 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.099 5.024 -5.419 1.00 0.46 C ATOM 0 H PHE A 132 18.609 1.159 -6.773 1.00 0.38 H new ATOM 0 HA PHE A 132 16.843 0.073 -4.755 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.423 0.842 -7.674 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.152 0.486 -6.520 1.00 0.38 H new ATOM 0 HD1 PHE A 132 17.936 2.870 -7.220 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.318 2.171 -5.080 1.00 0.35 H new ATOM 0 HE1 PHE A 132 17.871 5.231 -6.563 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.250 4.540 -4.427 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.105 6.052 -5.089 1.00 0.46 H new ATOM 2053 N SER A 133 18.140 -1.865 -6.923 1.00 0.42 N ATOM 2054 CA SER A 133 18.220 -3.235 -7.423 1.00 0.47 C ATOM 2055 C SER A 133 18.842 -4.173 -6.388 1.00 0.48 C ATOM 2056 O SER A 133 18.707 -5.393 -6.489 1.00 0.62 O ATOM 2057 CB SER A 133 19.040 -3.276 -8.716 1.00 0.54 C ATOM 2058 OG SER A 133 19.069 -4.584 -9.271 1.00 1.46 O ATOM 0 H SER A 133 18.957 -1.294 -7.137 1.00 0.42 H new ATOM 0 HA SER A 133 17.204 -3.576 -7.623 1.00 0.47 H new ATOM 0 HB2 SER A 133 18.615 -2.581 -9.440 1.00 0.54 H new ATOM 0 HB3 SER A 133 20.058 -2.942 -8.514 1.00 0.54 H new ATOM 0 HG SER A 133 18.885 -5.242 -8.568 1.00 1.46 H new ATOM 2064 N LYS A 134 19.511 -3.600 -5.398 1.00 0.40 N ATOM 2065 CA LYS A 134 20.150 -4.381 -4.346 1.00 0.43 C ATOM 2066 C LYS A 134 19.404 -4.153 -3.060 1.00 0.39 C ATOM 2067 O LYS A 134 19.837 -4.549 -1.979 1.00 0.46 O ATOM 2068 CB LYS A 134 21.616 -3.981 -4.170 1.00 0.48 C ATOM 2069 CG LYS A 134 22.539 -4.543 -5.240 1.00 0.65 C ATOM 2070 CD LYS A 134 22.493 -6.063 -5.276 1.00 0.78 C ATOM 2071 CE LYS A 134 23.503 -6.630 -6.262 1.00 1.00 C ATOM 2072 NZ LYS A 134 24.905 -6.351 -5.847 1.00 1.87 N ATOM 0 H LYS A 134 19.626 -2.591 -5.300 1.00 0.40 H new ATOM 0 HA LYS A 134 20.123 -5.435 -4.622 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.689 -2.893 -4.175 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.960 -4.319 -3.193 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.252 -4.146 -6.214 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.561 -4.214 -5.050 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.695 -6.457 -4.280 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.491 -6.391 -5.552 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.358 -7.707 -6.350 1.00 1.00 H new ATOM 0 HE3 LYS A 134 23.325 -6.203 -7.249 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 25.560 -6.867 -6.468 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 25.092 -5.330 -5.918 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 25.044 -6.661 -4.864 1.00 1.87 H new ATOM 2086 N LEU A 135 18.274 -3.503 -3.205 1.00 0.41 N ATOM 2087 CA LEU A 135 17.469 -3.110 -2.085 1.00 0.40 C ATOM 2088 C LEU A 135 16.408 -4.169 -1.824 1.00 0.41 C ATOM 2089 O LEU A 135 15.714 -4.602 -2.740 1.00 0.46 O ATOM 2090 CB LEU A 135 16.834 -1.756 -2.383 1.00 0.41 C ATOM 2091 CG LEU A 135 16.367 -0.980 -1.171 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.548 -0.640 -0.271 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.634 0.278 -1.611 1.00 0.74 C ATOM 0 H LEU A 135 17.889 -3.233 -4.110 1.00 0.41 H new ATOM 0 HA LEU A 135 18.084 -3.019 -1.189 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.555 -1.147 -2.928 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.982 -1.911 -3.045 1.00 0.41 H new ATOM 0 HG LEU A 135 15.676 -1.597 -0.597 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.196 -0.082 0.596 1.00 0.79 H new ATOM 0 HD12 LEU A 135 18.029 -1.560 0.061 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.265 -0.035 -0.825 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.301 0.831 -0.733 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.305 0.903 -2.200 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.770 0.003 -2.216 1.00 0.74 H new ATOM 2105 N GLN A 136 16.319 -4.600 -0.582 1.00 0.40 N ATOM 2106 CA GLN A 136 15.365 -5.613 -0.161 1.00 0.41 C ATOM 2107 C GLN A 136 14.277 -4.961 0.673 1.00 0.38 C ATOM 2108 O GLN A 136 14.562 -4.119 1.522 1.00 0.44 O ATOM 2109 CB GLN A 136 16.099 -6.697 0.637 1.00 0.46 C ATOM 2110 CG GLN A 136 15.225 -7.842 1.126 1.00 0.58 C ATOM 2111 CD GLN A 136 14.879 -7.734 2.603 1.00 0.79 C ATOM 2112 OE1 GLN A 136 14.757 -6.643 3.154 1.00 1.63 O ATOM 2113 NE2 GLN A 136 14.731 -8.873 3.256 1.00 0.72 N ATOM 0 H GLN A 136 16.912 -4.255 0.173 1.00 0.40 H new ATOM 0 HA GLN A 136 14.900 -6.080 -1.029 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.895 -7.108 0.015 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.576 -6.231 1.499 1.00 0.46 H new ATOM 0 HG2 GLN A 136 14.304 -7.864 0.543 1.00 0.58 H new ATOM 0 HG3 GLN A 136 15.739 -8.787 0.947 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.840 -9.760 2.765 1.00 0.72 H new ATOM 0 HE22 GLN A 136 14.508 -8.865 4.251 1.00 0.72 H new ATOM 2122 N ARG A 137 13.031 -5.323 0.409 1.00 0.36 N ATOM 2123 CA ARG A 137 11.922 -4.766 1.153 1.00 0.35 C ATOM 2124 C ARG A 137 11.395 -5.769 2.161 1.00 0.35 C ATOM 2125 O ARG A 137 10.750 -6.757 1.791 1.00 0.39 O ATOM 2126 CB ARG A 137 10.786 -4.352 0.223 1.00 0.43 C ATOM 2127 CG ARG A 137 11.192 -3.376 -0.861 1.00 1.02 C ATOM 2128 CD ARG A 137 9.970 -2.750 -1.510 1.00 1.29 C ATOM 2129 NE ARG A 137 8.939 -3.746 -1.806 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.418 -3.943 -3.008 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.834 -3.220 -4.035 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.480 -4.865 -3.182 1.00 2.05 N ATOM 0 H ARG A 137 12.768 -5.996 -0.311 1.00 0.36 H new ATOM 0 HA ARG A 137 12.293 -3.884 1.676 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.372 -5.245 -0.245 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.990 -3.905 0.818 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.823 -2.596 -0.436 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.786 -3.891 -1.616 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.559 -1.987 -0.849 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.265 -2.248 -2.431 1.00 1.29 H new ATOM 0 HE ARG A 137 8.600 -4.325 -1.038 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.555 -2.511 -3.901 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.433 -3.371 -4.961 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.160 -5.422 -2.390 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.079 -5.016 -4.108 1.00 2.05 H new ATOM 2146 N ASN A 138 11.682 -5.523 3.426 1.00 0.35 N ATOM 2147 CA ASN A 138 11.128 -6.323 4.503 1.00 0.39 C ATOM 2148 C ASN A 138 9.856 -5.662 5.017 1.00 0.39 C ATOM 2149 O ASN A 138 9.907 -4.683 5.765 1.00 0.49 O ATOM 2150 CB ASN A 138 12.144 -6.487 5.640 1.00 0.45 C ATOM 2151 CG ASN A 138 11.622 -7.365 6.765 1.00 0.52 C ATOM 2152 OD1 ASN A 138 11.790 -8.585 6.752 1.00 0.84 O ATOM 2153 ND2 ASN A 138 10.991 -6.750 7.750 1.00 0.67 N ATOM 0 H ASN A 138 12.299 -4.771 3.734 1.00 0.35 H new ATOM 0 HA ASN A 138 10.892 -7.316 4.122 1.00 0.39 H new ATOM 0 HB2 ASN A 138 13.062 -6.919 5.243 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.400 -5.505 6.039 1.00 0.45 H new ATOM 0 HD21 ASN A 138 10.624 -7.288 8.535 1.00 0.67 H new ATOM 0 HD22 ASN A 138 10.871 -5.737 7.725 1.00 0.67 H new ATOM 2160 N ILE A 139 8.722 -6.179 4.581 1.00 0.37 N ATOM 2161 CA ILE A 139 7.429 -5.620 4.939 1.00 0.36 C ATOM 2162 C ILE A 139 7.009 -6.080 6.333 1.00 0.37 C ATOM 2163 O ILE A 139 6.848 -7.275 6.580 1.00 0.46 O ATOM 2164 CB ILE A 139 6.357 -6.033 3.903 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.765 -5.553 2.506 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.984 -5.492 4.282 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.805 -5.969 1.412 1.00 0.48 C ATOM 0 H ILE A 139 8.670 -6.995 3.971 1.00 0.37 H new ATOM 0 HA ILE A 139 7.518 -4.534 4.942 1.00 0.36 H new ATOM 0 HB ILE A 139 6.289 -7.121 3.895 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.843 -4.466 2.514 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.756 -5.942 2.274 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.253 -5.799 3.534 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.694 -5.885 5.256 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.021 -4.404 4.327 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.161 -5.593 0.453 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.745 -7.057 1.375 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.817 -5.558 1.619 1.00 0.48 H new ATOM 2179 N LEU A 140 6.849 -5.129 7.242 1.00 0.35 N ATOM 2180 CA LEU A 140 6.452 -5.435 8.607 1.00 0.39 C ATOM 2181 C LEU A 140 4.946 -5.640 8.696 1.00 0.36 C ATOM 2182 O LEU A 140 4.193 -4.687 8.896 1.00 0.37 O ATOM 2183 CB LEU A 140 6.873 -4.309 9.555 1.00 0.47 C ATOM 2184 CG LEU A 140 8.363 -3.965 9.555 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.628 -2.770 10.456 1.00 0.88 C ATOM 2186 CD2 LEU A 140 9.189 -5.163 9.999 1.00 0.99 C ATOM 0 H LEU A 140 6.989 -4.136 7.057 1.00 0.35 H new ATOM 0 HA LEU A 140 6.953 -6.356 8.903 1.00 0.39 H new ATOM 0 HB2 LEU A 140 6.312 -3.411 9.295 1.00 0.47 H new ATOM 0 HB3 LEU A 140 6.582 -4.585 10.569 1.00 0.47 H new ATOM 0 HG LEU A 140 8.658 -3.705 8.538 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.693 -2.536 10.447 1.00 0.88 H new ATOM 0 HD12 LEU A 140 8.064 -1.910 10.095 1.00 0.88 H new ATOM 0 HD13 LEU A 140 8.317 -3.006 11.474 1.00 0.88 H new ATOM 0 HD21 LEU A 140 10.246 -4.898 9.992 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.894 -5.455 11.007 1.00 0.99 H new ATOM 0 HD23 LEU A 140 9.019 -5.995 9.316 1.00 0.99 H new ATOM 2198 N ALA A 141 4.505 -6.881 8.536 1.00 0.39 N ATOM 2199 CA ALA A 141 3.089 -7.194 8.656 1.00 0.42 C ATOM 2200 C ALA A 141 2.693 -7.298 10.124 1.00 0.49 C ATOM 2201 O ALA A 141 1.513 -7.396 10.459 1.00 0.55 O ATOM 2202 CB ALA A 141 2.748 -8.474 7.912 1.00 0.48 C ATOM 0 H ALA A 141 5.102 -7.680 8.325 1.00 0.39 H new ATOM 0 HA ALA A 141 2.520 -6.384 8.201 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.684 -8.684 8.018 1.00 0.48 H new ATOM 0 HB2 ALA A 141 2.991 -8.357 6.856 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.324 -9.301 8.327 1.00 0.48 H new ATOM 2208 N SER A 142 3.694 -7.276 10.997 1.00 0.52 N ATOM 2209 CA SER A 142 3.459 -7.271 12.431 1.00 0.62 C ATOM 2210 C SER A 142 3.250 -5.837 12.915 1.00 0.61 C ATOM 2211 O SER A 142 3.016 -5.591 14.099 1.00 0.70 O ATOM 2212 CB SER A 142 4.632 -7.928 13.165 1.00 0.72 C ATOM 2213 OG SER A 142 4.339 -8.134 14.536 1.00 1.42 O ATOM 0 H SER A 142 4.679 -7.261 10.732 1.00 0.52 H new ATOM 0 HA SER A 142 2.559 -7.847 12.648 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.867 -8.883 12.695 1.00 0.72 H new ATOM 0 HB3 SER A 142 5.518 -7.300 13.072 1.00 0.72 H new ATOM 0 HG SER A 142 3.851 -7.360 14.886 1.00 1.42 H new ATOM 2219 N ASN A 143 3.340 -4.895 11.982 1.00 0.56 N ATOM 2220 CA ASN A 143 3.025 -3.497 12.252 1.00 0.60 C ATOM 2221 C ASN A 143 1.947 -3.020 11.287 1.00 0.49 C ATOM 2222 O ASN A 143 2.237 -2.345 10.300 1.00 0.49 O ATOM 2223 CB ASN A 143 4.271 -2.608 12.129 1.00 0.74 C ATOM 2224 CG ASN A 143 5.114 -2.590 13.389 1.00 1.25 C ATOM 2225 OD1 ASN A 143 4.924 -1.742 14.262 1.00 1.87 O ATOM 2226 ND2 ASN A 143 6.053 -3.515 13.496 1.00 1.91 N ATOM 0 H ASN A 143 3.632 -5.078 11.022 1.00 0.56 H new ATOM 0 HA ASN A 143 2.660 -3.421 13.276 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.880 -2.959 11.296 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.962 -1.590 11.891 1.00 0.74 H new ATOM 0 HD21 ASN A 143 6.650 -3.543 14.323 1.00 1.91 H new ATOM 0 HD22 ASN A 143 6.180 -4.201 12.752 1.00 1.91 H new ATOM 2233 N PRO A 144 0.687 -3.408 11.538 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.429 -3.079 10.673 1.00 0.43 C ATOM 2235 C PRO A 144 -1.122 -1.785 11.081 1.00 0.39 C ATOM 2236 O PRO A 144 -1.830 -1.729 12.089 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.369 -4.280 10.853 1.00 0.52 C ATOM 2238 CG PRO A 144 -0.916 -4.990 12.100 1.00 0.66 C ATOM 2239 CD PRO A 144 0.238 -4.206 12.677 1.00 0.60 C ATOM 0 HA PRO A 144 -0.117 -2.911 9.642 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.404 -3.952 10.947 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.322 -4.943 9.989 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -1.731 -5.057 12.820 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -0.609 -6.010 11.870 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.076 -3.579 13.512 1.00 0.60 H new ATOM 0 HD3 PRO A 144 1.026 -4.861 13.049 1.00 0.60 H new ATOM 2247 N ARG A 145 -0.910 -0.743 10.298 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.578 0.526 10.525 1.00 0.33 C ATOM 2249 C ARG A 145 -2.982 0.474 9.938 1.00 0.30 C ATOM 2250 O ARG A 145 -3.215 0.885 8.803 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.771 1.683 9.919 1.00 0.41 C ATOM 2252 CG ARG A 145 -1.423 3.062 10.030 1.00 0.98 C ATOM 2253 CD ARG A 145 -1.618 3.498 11.476 1.00 1.21 C ATOM 2254 NE ARG A 145 -2.820 2.918 12.080 1.00 1.63 N ATOM 2255 CZ ARG A 145 -2.824 2.244 13.228 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -1.683 2.006 13.867 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -3.963 1.783 13.726 1.00 3.15 N ATOM 0 H ARG A 145 -0.279 -0.751 9.497 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.651 0.703 11.598 1.00 0.33 H new ATOM 0 HB2 ARG A 145 0.203 1.719 10.407 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -0.592 1.467 8.866 1.00 0.41 H new ATOM 0 HG2 ARG A 145 -0.805 3.796 9.512 1.00 0.98 H new ATOM 0 HG3 ARG A 145 -2.389 3.046 9.525 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -0.745 3.207 12.061 1.00 1.21 H new ATOM 0 HD3 ARG A 145 -1.682 4.585 11.519 1.00 1.21 H new ATOM 0 HE ARG A 145 -3.707 3.038 11.591 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -0.801 2.340 13.478 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -1.689 1.489 14.746 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -4.839 1.944 13.229 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -3.963 1.267 14.606 1.00 3.15 H new ATOM 2271 N VAL A 146 -3.905 -0.087 10.698 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.286 -0.167 10.270 1.00 0.39 C ATOM 2273 C VAL A 146 -6.062 1.050 10.764 1.00 0.40 C ATOM 2274 O VAL A 146 -6.316 1.209 11.961 1.00 0.43 O ATOM 2275 CB VAL A 146 -5.957 -1.482 10.737 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -5.780 -1.682 12.230 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -7.432 -1.505 10.356 1.00 1.11 C ATOM 0 H VAL A 146 -3.721 -0.494 11.615 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.300 -0.171 9.180 1.00 0.39 H new ATOM 0 HB VAL A 146 -5.464 -2.310 10.227 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -6.261 -2.613 12.532 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -4.717 -1.729 12.467 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -6.235 -0.849 12.765 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -7.881 -2.439 10.695 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -7.943 -0.665 10.827 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -7.529 -1.428 9.273 1.00 1.11 H new ATOM 2287 N THR A 147 -6.389 1.938 9.845 1.00 0.40 N ATOM 2288 CA THR A 147 -7.146 3.126 10.184 1.00 0.42 C ATOM 2289 C THR A 147 -8.358 3.268 9.282 1.00 0.35 C ATOM 2290 O THR A 147 -8.230 3.542 8.088 1.00 0.33 O ATOM 2291 CB THR A 147 -6.272 4.392 10.088 1.00 0.47 C ATOM 2292 OG1 THR A 147 -5.057 4.205 10.834 1.00 0.56 O ATOM 2293 CG2 THR A 147 -7.017 5.607 10.622 1.00 0.52 C ATOM 0 H THR A 147 -6.142 1.859 8.858 1.00 0.40 H new ATOM 0 HA THR A 147 -7.483 3.016 11.215 1.00 0.42 H new ATOM 0 HB THR A 147 -6.034 4.564 9.038 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.505 5.012 10.768 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.380 6.488 10.544 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.925 5.763 10.039 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.281 5.442 11.667 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.529 3.045 9.851 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.769 3.229 9.127 1.00 0.34 C ATOM 2303 C ARG A 148 -11.429 4.536 9.536 1.00 0.37 C ATOM 2304 O ARG A 148 -11.295 4.991 10.673 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.711 2.039 9.339 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.819 1.579 10.784 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.612 0.287 10.895 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.337 -0.416 12.146 1.00 1.48 N ATOM 2309 CZ ARG A 148 -12.586 -1.709 12.350 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -13.193 -2.435 11.414 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -12.236 -2.271 13.497 1.00 3.00 N ATOM 0 H ARG A 148 -9.645 2.735 10.816 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.543 3.281 8.062 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.704 2.308 8.980 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.367 1.204 8.729 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.821 1.432 11.197 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.299 2.355 11.380 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.677 0.508 10.830 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.369 -0.361 10.053 1.00 0.88 H new ATOM 0 HE ARG A 148 -11.928 0.118 12.913 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -13.471 -2.002 10.533 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -13.380 -3.424 11.577 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -11.778 -1.714 14.219 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -12.424 -3.260 13.659 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.124 5.134 8.592 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.687 6.462 8.759 1.00 0.36 C ATOM 2327 C PHE A 149 -14.210 6.417 8.731 1.00 0.38 C ATOM 2328 O PHE A 149 -14.805 5.523 8.129 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.188 7.374 7.638 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.700 7.342 7.436 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.868 8.074 8.267 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.133 6.579 6.430 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.502 8.051 8.099 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.761 6.550 6.257 1.00 0.34 C ATOM 2335 CZ PHE A 149 -7.955 7.276 7.034 1.00 0.40 C ATOM 0 H PHE A 149 -12.317 4.713 7.683 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.369 6.850 9.727 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.676 7.087 6.707 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.492 8.398 7.855 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.297 8.671 9.058 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.767 6.001 5.774 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.857 8.609 8.761 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.336 5.930 5.481 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.890 7.277 6.857 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.832 7.393 9.375 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.282 7.519 9.362 1.00 0.51 C ATOM 2347 C HIS A 150 -16.699 8.462 8.238 1.00 0.52 C ATOM 2348 O HIS A 150 -16.358 9.644 8.261 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.780 8.043 10.717 1.00 0.64 C ATOM 2350 CG HIS A 150 -18.272 8.157 10.820 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -18.945 9.357 10.725 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -19.223 7.212 11.008 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -20.242 9.145 10.850 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.435 7.853 11.023 1.00 2.73 N ATOM 0 H HIS A 150 -14.353 8.113 9.916 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.729 6.540 9.189 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.422 7.380 11.504 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.338 9.023 10.900 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -19.058 6.151 11.124 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.013 9.901 10.816 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -21.341 7.402 11.148 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.406 7.935 7.245 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.852 8.739 6.114 1.00 0.50 C ATOM 2365 C ILE A 151 -19.258 8.344 5.700 1.00 0.49 C ATOM 2366 O ILE A 151 -19.796 7.344 6.174 1.00 0.55 O ATOM 2367 CB ILE A 151 -16.933 8.589 4.876 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -16.981 7.158 4.326 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.506 8.980 5.211 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.400 7.023 2.934 1.00 0.64 C ATOM 0 H ILE A 151 -17.683 6.954 7.200 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.821 9.775 6.451 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.302 9.264 4.104 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.437 6.499 5.003 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.016 6.817 4.313 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -14.880 8.866 4.326 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.481 10.018 5.542 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.130 8.337 6.006 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -16.468 5.984 2.611 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -16.958 7.655 2.244 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.355 7.332 2.944 1.00 0.64 H new ATOM 2382 N ASN A 152 -19.844 9.137 4.821 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.124 8.805 4.226 1.00 0.51 C ATOM 2384 C ASN A 152 -20.896 8.164 2.863 1.00 0.49 C ATOM 2385 O ASN A 152 -20.306 8.762 1.965 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.017 10.048 4.121 1.00 0.62 C ATOM 2387 CG ASN A 152 -21.475 11.104 3.176 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -21.796 11.118 1.989 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -20.652 11.999 3.696 1.00 1.33 N ATOM 0 H ASN A 152 -19.449 10.022 4.502 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.644 8.091 4.864 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.009 9.746 3.785 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.136 10.485 5.112 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -20.260 12.734 3.107 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -20.409 11.954 4.686 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.312 6.917 2.742 1.00 0.54 N ATOM 2397 CA TRP A 153 -21.163 6.174 1.500 1.00 0.59 C ATOM 2398 C TRP A 153 -22.352 6.429 0.584 1.00 0.72 C ATOM 2399 O TRP A 153 -22.315 6.112 -0.608 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.092 4.666 1.766 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.047 4.218 2.747 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -19.829 4.690 4.010 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.114 3.149 2.553 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -18.810 3.990 4.605 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.356 3.038 3.732 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.843 2.279 1.493 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.351 2.088 3.879 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.846 1.339 1.640 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.112 1.248 2.826 1.00 0.53 C ATOM 0 H TRP A 153 -21.759 6.392 3.494 1.00 0.54 H new ATOM 0 HA TRP A 153 -20.239 6.511 1.030 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.066 4.335 2.127 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -20.913 4.158 0.818 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -20.378 5.496 4.473 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -18.449 4.152 5.545 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -19.406 2.342 0.574 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -16.779 2.016 4.792 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.629 0.663 0.827 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.339 0.498 2.913 1.00 0.53 H new ATOM 2420 N GLU A 154 -23.399 7.027 1.135 1.00 0.80 N ATOM 2421 CA GLU A 154 -24.669 7.082 0.451 1.00 0.99 C ATOM 2422 C GLU A 154 -24.759 8.376 -0.324 1.00 0.96 C ATOM 2423 O GLU A 154 -23.747 8.956 -0.719 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.837 7.023 1.451 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.571 6.215 2.712 1.00 1.48 C ATOM 2426 CD GLU A 154 -25.153 4.785 2.444 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.934 4.022 1.833 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -24.052 4.411 2.882 1.00 2.32 O ATOM 0 H GLU A 154 -23.388 7.477 2.050 1.00 0.80 H new ATOM 0 HA GLU A 154 -24.736 6.225 -0.220 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -26.099 8.041 1.740 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -26.706 6.602 0.945 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.791 6.709 3.291 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.471 6.212 3.327 1.00 1.48 H new ATOM 2435 N ASP A 155 -25.974 8.820 -0.531 1.00 0.99 N ATOM 2436 CA ASP A 155 -26.225 10.120 -1.097 1.00 1.07 C ATOM 2437 C ASP A 155 -26.695 11.008 0.034 1.00 1.02 C ATOM 2438 O ASP A 155 -27.876 11.337 0.154 1.00 1.15 O ATOM 2439 CB ASP A 155 -27.276 9.995 -2.186 1.00 1.41 C ATOM 2440 CG ASP A 155 -27.295 11.173 -3.140 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -27.729 12.270 -2.720 1.00 1.86 O ATOM 2442 OD2 ASP A 155 -26.853 11.024 -4.296 1.00 2.49 O ATOM 0 H ASP A 155 -26.817 8.289 -0.311 1.00 0.99 H new ATOM 0 HA ASP A 155 -25.333 10.549 -1.553 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -27.096 9.081 -2.752 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -28.258 9.895 -1.724 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.757 11.343 0.898 1.00 1.06 N ATOM 2448 CA ASN A 156 -26.075 11.908 2.189 1.00 1.31 C ATOM 2449 C ASN A 156 -25.161 13.084 2.494 1.00 1.59 C ATOM 2450 O ASN A 156 -24.060 12.865 3.031 1.00 2.09 O ATOM 2451 CB ASN A 156 -25.927 10.800 3.234 1.00 1.55 C ATOM 2452 CG ASN A 156 -26.150 11.254 4.657 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -26.908 12.185 4.927 1.00 2.57 O ATOM 2454 ND2 ASN A 156 -25.493 10.574 5.580 1.00 2.27 N ATOM 2455 OXT ASN A 156 -25.545 14.228 2.178 1.00 2.05 O ATOM 0 H ASN A 156 -24.758 11.231 0.724 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.096 12.288 2.200 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.634 10.003 3.004 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -24.928 10.372 3.154 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -25.604 10.814 6.565 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -24.875 9.810 5.307 1.00 2.27 H new