USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 916 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: B 206 ASN : amide:sc= -0.44 X(o=0.3,f=0.35) USER MOD Set 1.2: B 207 SER OG : rot 10:sc= 0.739 USER MOD Set 2.1: A 84 GLN : amide:sc= -0.936 K(o=0.98,f=-2.3) USER MOD Set 2.2: A 87 CYS SG : rot 74:sc= 1.91 USER MOD Set 3.1: A 69 LYS NZ :NH3+ 157:sc= 1.35 (180deg=-0.0779) USER MOD Set 3.2: A 76 THR OG1 : rot -140:sc= 0.571 USER MOD Set 4.1: A 55 THR OG1 : rot 49:sc= 0.664 USER MOD Set 4.2: A 95 LYS NZ :NH3+ -152:sc= 1.88 (180deg=-0.0649!) USER MOD Set 5.1: A 10 THR OG1 : rot 83:sc= 0.273 USER MOD Set 5.2: A 19 SER OG : rot -39:sc= 0.67 USER MOD Set 6.1: A 3 LYS NZ :NH3+ 164:sc= 1.39 (180deg=0.959) USER MOD Set 6.2: A 9 GLN : amide:sc= 1.34 K(o=2.7,f=-0.66) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.571 (180deg=-1.28!) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 7 MET CE :methyl 170:sc=-0.00856 (180deg=-0.186) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -140:sc= -0.2 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : +bothHN:sc= -1.66! C(o=-1.7!,f=-9.4!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.219 K(o=0.22,f=-1.3!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 71:sc= -1.1! USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0429 USER MOD Single : A 45 GLN : amide:sc= -1.92 K(o=-1.9,f=-3.2!) USER MOD Single : A 49 GLN :FLIP amide:sc=-0.00773 F(o=-2.1!,f=-0.0077) USER MOD Single : A 62 GLN :FLIP amide:sc= -3.8! C(o=-4.5!,f=-3.8!) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0507 (180deg=-0.384) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 2.62 (180deg=1.18) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 0.557 (180deg=-0.438!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0909 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -0.136 K(o=-0.14,f=-6.7!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.117 F(o=-0.77!,f=-0.12) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 199 LYS NZ :NH3+ -171:sc= -0.0138 (180deg=-0.159) USER MOD Single : B 201 LYS NZ :NH3+ -165:sc= -0.0251 (180deg=-0.301) USER MOD Single : B 204 MET CE :methyl 178:sc= 0 (180deg=-0.00768) USER MOD Single : B 205 THR OG1 : rot 180:sc= -0.154 USER MOD Single : B 208 HIS : no HE2:sc= 1.12 K(o=1.1,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.225 -13.746 -10.738 1.00 1.79 N ATOM 2 CA MET A 1 -4.601 -13.192 -9.420 1.00 1.50 C ATOM 3 C MET A 1 -6.110 -13.002 -9.326 1.00 1.45 C ATOM 4 O MET A 1 -6.759 -13.605 -8.472 1.00 2.06 O ATOM 5 CB MET A 1 -3.862 -11.874 -9.140 1.00 1.78 C ATOM 6 CG MET A 1 -3.697 -10.955 -10.343 1.00 2.07 C ATOM 7 SD MET A 1 -4.914 -9.627 -10.379 1.00 2.89 S ATOM 8 CE MET A 1 -4.391 -8.740 -11.847 1.00 2.97 C ATOM 0 H1 MET A 1 -3.237 -13.499 -10.949 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.327 -14.781 -10.722 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.846 -13.348 -11.472 1.00 1.79 H new ATOM 0 HA MET A 1 -4.300 -13.909 -8.656 1.00 1.50 H new ATOM 0 HB2 MET A 1 -4.399 -11.333 -8.361 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.874 -12.107 -8.743 1.00 1.78 H new ATOM 0 HG2 MET A 1 -2.696 -10.524 -10.331 1.00 2.07 H new ATOM 0 HG3 MET A 1 -3.780 -11.542 -11.257 1.00 2.07 H new ATOM 0 HE1 MET A 1 -5.047 -7.885 -12.008 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.366 -8.392 -11.716 1.00 2.97 H new ATOM 0 HE3 MET A 1 -4.441 -9.404 -12.710 1.00 2.97 H new ATOM 20 N ALA A 2 -6.658 -12.176 -10.220 1.00 1.41 N ATOM 21 CA ALA A 2 -8.090 -11.897 -10.263 1.00 1.47 C ATOM 22 C ALA A 2 -8.612 -11.503 -8.889 1.00 1.31 C ATOM 23 O ALA A 2 -9.521 -12.133 -8.348 1.00 1.40 O ATOM 24 CB ALA A 2 -8.855 -13.095 -10.813 1.00 1.83 C ATOM 0 H ALA A 2 -6.120 -11.683 -10.933 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.250 -11.053 -10.934 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.921 -12.867 -10.837 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.509 -13.316 -11.823 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.684 -13.961 -10.173 1.00 1.83 H new ATOM 30 N LYS A 3 -8.021 -10.464 -8.316 1.00 1.21 N ATOM 31 CA LYS A 3 -8.431 -9.999 -7.005 1.00 1.10 C ATOM 32 C LYS A 3 -9.678 -9.133 -7.115 1.00 1.05 C ATOM 33 O LYS A 3 -9.602 -7.903 -7.115 1.00 1.21 O ATOM 34 CB LYS A 3 -7.300 -9.223 -6.330 1.00 1.11 C ATOM 35 CG LYS A 3 -7.544 -8.949 -4.853 1.00 1.22 C ATOM 36 CD LYS A 3 -6.242 -8.850 -4.078 1.00 1.18 C ATOM 37 CE LYS A 3 -6.422 -9.271 -2.627 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.617 -10.741 -2.493 1.00 1.47 N ATOM 0 H LYS A 3 -7.260 -9.932 -8.738 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.665 -10.868 -6.390 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.371 -9.784 -6.438 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -7.162 -8.274 -6.849 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.105 -8.021 -4.743 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -8.159 -9.745 -4.432 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.488 -9.480 -4.550 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.871 -7.826 -4.117 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -5.548 -8.967 -2.050 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.281 -8.751 -2.202 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.466 -11.022 -1.503 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.585 -10.990 -2.780 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.937 -11.238 -3.102 1.00 1.47 H new ATOM 52 N THR A 4 -10.818 -9.785 -7.262 1.00 1.06 N ATOM 53 CA THR A 4 -12.090 -9.096 -7.374 1.00 1.06 C ATOM 54 C THR A 4 -13.216 -9.968 -6.832 1.00 1.13 C ATOM 55 O THR A 4 -13.863 -9.624 -5.842 1.00 1.27 O ATOM 56 CB THR A 4 -12.398 -8.718 -8.840 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.218 -8.207 -9.477 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.501 -7.679 -8.920 1.00 1.23 C ATOM 0 H THR A 4 -10.887 -10.802 -7.307 1.00 1.06 H new ATOM 0 HA THR A 4 -12.020 -8.181 -6.786 1.00 1.06 H new ATOM 0 HB THR A 4 -12.732 -9.620 -9.352 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.423 -7.972 -10.406 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.695 -7.434 -9.964 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.409 -8.076 -8.466 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.193 -6.779 -8.387 1.00 1.23 H new ATOM 66 N GLU A 5 -13.436 -11.106 -7.476 1.00 1.20 N ATOM 67 CA GLU A 5 -14.484 -12.039 -7.066 1.00 1.33 C ATOM 68 C GLU A 5 -14.014 -12.953 -5.929 1.00 1.31 C ATOM 69 O GLU A 5 -14.115 -14.179 -6.014 1.00 1.58 O ATOM 70 CB GLU A 5 -14.953 -12.873 -8.266 1.00 1.56 C ATOM 71 CG GLU A 5 -13.825 -13.349 -9.168 1.00 1.73 C ATOM 72 CD GLU A 5 -13.639 -12.459 -10.378 1.00 1.94 C ATOM 73 OE1 GLU A 5 -13.136 -11.330 -10.221 1.00 2.15 O ATOM 74 OE2 GLU A 5 -13.997 -12.886 -11.495 1.00 2.37 O ATOM 0 H GLU A 5 -12.901 -11.409 -8.290 1.00 1.20 H new ATOM 0 HA GLU A 5 -15.323 -11.453 -6.691 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -15.502 -13.740 -7.900 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -15.651 -12.280 -8.857 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -12.897 -13.381 -8.598 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -14.032 -14.367 -9.498 1.00 1.73 H new ATOM 81 N GLU A 6 -13.502 -12.352 -4.865 1.00 1.20 N ATOM 82 CA GLU A 6 -13.037 -13.110 -3.714 1.00 1.19 C ATOM 83 C GLU A 6 -13.913 -12.816 -2.506 1.00 1.14 C ATOM 84 O GLU A 6 -14.633 -13.687 -2.019 1.00 1.26 O ATOM 85 CB GLU A 6 -11.582 -12.771 -3.381 1.00 1.16 C ATOM 86 CG GLU A 6 -10.667 -12.689 -4.590 1.00 1.41 C ATOM 87 CD GLU A 6 -9.210 -12.586 -4.195 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.777 -11.493 -3.779 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.495 -13.602 -4.287 1.00 1.64 O ATOM 0 H GLU A 6 -13.398 -11.341 -4.775 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.099 -14.169 -3.964 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.555 -11.817 -2.854 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.193 -13.525 -2.696 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.812 -13.571 -5.214 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.941 -11.823 -5.193 1.00 1.41 H new ATOM 96 N MET A 7 -13.838 -11.571 -2.034 1.00 1.05 N ATOM 97 CA MET A 7 -14.611 -11.112 -0.878 1.00 1.09 C ATOM 98 C MET A 7 -14.244 -11.883 0.391 1.00 1.12 C ATOM 99 O MET A 7 -14.978 -11.855 1.378 1.00 1.32 O ATOM 100 CB MET A 7 -16.113 -11.226 -1.157 1.00 1.22 C ATOM 101 CG MET A 7 -16.688 -10.031 -1.896 1.00 1.44 C ATOM 102 SD MET A 7 -18.308 -10.369 -2.611 1.00 1.75 S ATOM 103 CE MET A 7 -19.237 -10.841 -1.152 1.00 2.16 C ATOM 0 H MET A 7 -13.240 -10.852 -2.442 1.00 1.05 H new ATOM 0 HA MET A 7 -14.361 -10.064 -0.711 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.298 -12.127 -1.742 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.641 -11.346 -0.211 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.767 -9.188 -1.209 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.001 -9.734 -2.688 1.00 1.44 H new ATOM 0 HE1 MET A 7 -20.296 -10.908 -1.401 1.00 2.16 H new ATOM 0 HE2 MET A 7 -18.887 -11.809 -0.795 1.00 2.16 H new ATOM 0 HE3 MET A 7 -19.094 -10.093 -0.372 1.00 2.16 H new ATOM 113 N VAL A 8 -13.094 -12.552 0.368 1.00 1.13 N ATOM 114 CA VAL A 8 -12.632 -13.328 1.512 1.00 1.22 C ATOM 115 C VAL A 8 -11.213 -12.930 1.915 1.00 1.14 C ATOM 116 O VAL A 8 -10.231 -13.430 1.370 1.00 1.34 O ATOM 117 CB VAL A 8 -12.696 -14.849 1.243 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.122 -15.349 1.396 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.160 -15.188 -0.144 1.00 1.49 C ATOM 0 H VAL A 8 -12.464 -12.571 -0.434 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.308 -13.102 2.336 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.064 -15.349 1.977 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.154 -16.421 1.204 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.470 -15.151 2.410 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -14.767 -14.834 0.684 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.218 -16.265 -0.303 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -12.756 -14.677 -0.900 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.122 -14.865 -0.222 1.00 1.49 H new ATOM 129 N GLN A 9 -11.123 -11.996 2.852 1.00 0.97 N ATOM 130 CA GLN A 9 -9.842 -11.502 3.350 1.00 0.93 C ATOM 131 C GLN A 9 -9.949 -11.253 4.857 1.00 0.91 C ATOM 132 O GLN A 9 -10.581 -12.033 5.572 1.00 0.98 O ATOM 133 CB GLN A 9 -9.454 -10.204 2.628 1.00 0.89 C ATOM 134 CG GLN A 9 -9.318 -10.342 1.120 1.00 1.00 C ATOM 135 CD GLN A 9 -7.977 -10.908 0.691 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.036 -10.166 0.424 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.881 -12.226 0.609 1.00 1.43 N ATOM 0 H GLN A 9 -11.934 -11.558 3.289 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.070 -12.247 3.158 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.204 -9.443 2.845 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.509 -9.845 3.035 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.114 -10.987 0.747 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.457 -9.365 0.658 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.684 -12.811 0.839 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -7.004 -12.656 0.316 1.00 1.43 H new ATOM 146 N THR A 10 -9.340 -10.176 5.339 1.00 0.91 N ATOM 147 CA THR A 10 -9.406 -9.835 6.753 1.00 0.91 C ATOM 148 C THR A 10 -10.692 -9.061 7.035 1.00 0.88 C ATOM 149 O THR A 10 -11.027 -8.114 6.320 1.00 0.82 O ATOM 150 CB THR A 10 -8.182 -9.001 7.184 1.00 0.89 C ATOM 151 OG1 THR A 10 -6.985 -9.577 6.638 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.068 -8.934 8.699 1.00 0.96 C ATOM 0 H THR A 10 -8.796 -9.526 4.772 1.00 0.91 H new ATOM 0 HA THR A 10 -9.402 -10.760 7.330 1.00 0.91 H new ATOM 0 HB THR A 10 -8.312 -7.988 6.804 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.868 -9.273 5.714 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.196 -8.340 8.972 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.965 -8.473 9.111 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.961 -9.942 9.101 1.00 0.96 H new ATOM 160 N GLU A 11 -11.418 -9.473 8.063 1.00 0.99 N ATOM 161 CA GLU A 11 -12.677 -8.835 8.414 1.00 1.04 C ATOM 162 C GLU A 11 -12.525 -7.917 9.620 1.00 1.02 C ATOM 163 O GLU A 11 -11.655 -8.126 10.468 1.00 1.03 O ATOM 164 CB GLU A 11 -13.734 -9.901 8.697 1.00 1.19 C ATOM 165 CG GLU A 11 -15.156 -9.384 8.620 1.00 1.29 C ATOM 166 CD GLU A 11 -16.146 -10.470 8.273 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.456 -11.297 9.152 1.00 1.58 O ATOM 168 OE2 GLU A 11 -16.606 -10.510 7.116 1.00 1.89 O ATOM 0 H GLU A 11 -11.155 -10.249 8.671 1.00 0.99 H new ATOM 0 HA GLU A 11 -12.991 -8.222 7.569 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.614 -10.717 7.984 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.561 -10.317 9.690 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.430 -8.939 9.576 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.212 -8.593 7.872 1.00 1.29 H new ATOM 175 N GLU A 12 -13.369 -6.898 9.680 1.00 1.07 N ATOM 176 CA GLU A 12 -13.359 -5.945 10.776 1.00 1.10 C ATOM 177 C GLU A 12 -14.786 -5.687 11.259 1.00 1.22 C ATOM 178 O GLU A 12 -15.713 -6.418 10.897 1.00 1.54 O ATOM 179 CB GLU A 12 -12.705 -4.636 10.336 1.00 1.07 C ATOM 180 CG GLU A 12 -11.471 -4.275 11.145 1.00 1.18 C ATOM 181 CD GLU A 12 -11.736 -4.285 12.632 1.00 1.74 C ATOM 182 OE1 GLU A 12 -12.624 -3.535 13.086 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.069 -5.053 13.356 1.00 2.23 O ATOM 0 H GLU A 12 -14.078 -6.710 8.971 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.779 -6.363 11.599 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.431 -4.711 9.284 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.433 -3.829 10.419 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -10.671 -4.979 10.916 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.121 -3.287 10.847 1.00 1.18 H new ATOM 190 N MET A 13 -14.953 -4.647 12.066 1.00 1.20 N ATOM 191 CA MET A 13 -16.261 -4.292 12.604 1.00 1.31 C ATOM 192 C MET A 13 -17.199 -3.787 11.512 1.00 1.28 C ATOM 193 O MET A 13 -18.414 -3.937 11.613 1.00 1.46 O ATOM 194 CB MET A 13 -16.118 -3.233 13.699 1.00 1.40 C ATOM 195 CG MET A 13 -15.741 -3.805 15.058 1.00 1.63 C ATOM 196 SD MET A 13 -15.302 -2.529 16.254 1.00 1.83 S ATOM 197 CE MET A 13 -15.365 -3.469 17.778 1.00 2.25 C ATOM 0 H MET A 13 -14.196 -4.032 12.364 1.00 1.20 H new ATOM 0 HA MET A 13 -16.696 -5.195 13.032 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.361 -2.510 13.396 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.058 -2.690 13.792 1.00 1.40 H new ATOM 0 HG2 MET A 13 -16.576 -4.389 15.446 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.901 -4.490 14.939 1.00 1.63 H new ATOM 0 HE1 MET A 13 -15.116 -2.819 18.617 1.00 2.25 H new ATOM 0 HE2 MET A 13 -16.368 -3.872 17.916 1.00 2.25 H new ATOM 0 HE3 MET A 13 -14.648 -4.289 17.730 1.00 2.25 H new ATOM 207 N GLU A 14 -16.638 -3.187 10.474 1.00 1.19 N ATOM 208 CA GLU A 14 -17.446 -2.671 9.378 1.00 1.18 C ATOM 209 C GLU A 14 -17.038 -3.313 8.055 1.00 1.09 C ATOM 210 O GLU A 14 -17.885 -3.801 7.308 1.00 1.18 O ATOM 211 CB GLU A 14 -17.322 -1.148 9.298 1.00 1.19 C ATOM 212 CG GLU A 14 -18.250 -0.510 8.275 1.00 1.29 C ATOM 213 CD GLU A 14 -19.714 -0.599 8.668 1.00 1.54 C ATOM 214 OE1 GLU A 14 -20.348 -1.636 8.393 1.00 2.02 O ATOM 215 OE2 GLU A 14 -20.239 0.378 9.243 1.00 2.13 O ATOM 0 H GLU A 14 -15.634 -3.045 10.366 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.488 -2.925 9.570 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -17.532 -0.724 10.280 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.292 -0.889 9.052 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.976 0.537 8.147 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -18.108 -0.996 7.310 1.00 1.29 H new ATOM 222 N THR A 15 -15.742 -3.318 7.773 1.00 0.98 N ATOM 223 CA THR A 15 -15.229 -3.902 6.541 1.00 0.90 C ATOM 224 C THR A 15 -15.409 -5.424 6.533 1.00 0.94 C ATOM 225 O THR A 15 -14.817 -6.135 7.349 1.00 0.98 O ATOM 226 CB THR A 15 -13.744 -3.551 6.361 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.311 -2.715 7.444 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.524 -2.822 5.050 1.00 0.91 C ATOM 0 H THR A 15 -15.025 -2.923 8.382 1.00 0.98 H new ATOM 0 HA THR A 15 -15.799 -3.485 5.711 1.00 0.90 H new ATOM 0 HB THR A 15 -13.168 -4.476 6.353 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.713 -2.019 7.101 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.466 -2.582 4.940 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.839 -3.458 4.223 1.00 0.91 H new ATOM 0 HG23 THR A 15 -14.108 -1.902 5.043 1.00 0.91 H new ATOM 236 N PRO A 16 -16.241 -5.941 5.615 1.00 0.97 N ATOM 237 CA PRO A 16 -16.516 -7.368 5.519 1.00 1.04 C ATOM 238 C PRO A 16 -15.499 -8.122 4.665 1.00 0.96 C ATOM 239 O PRO A 16 -15.697 -8.306 3.462 1.00 0.96 O ATOM 240 CB PRO A 16 -17.892 -7.399 4.866 1.00 1.12 C ATOM 241 CG PRO A 16 -17.957 -6.169 4.017 1.00 1.07 C ATOM 242 CD PRO A 16 -16.979 -5.173 4.595 1.00 0.98 C ATOM 0 HA PRO A 16 -16.465 -7.859 6.491 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -18.021 -8.299 4.264 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.683 -7.401 5.616 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -17.703 -6.402 2.983 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.967 -5.758 4.012 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -16.309 -4.782 3.829 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.494 -4.319 5.035 1.00 0.98 H new ATOM 250 N ARG A 17 -14.407 -8.549 5.301 1.00 0.95 N ATOM 251 CA ARG A 17 -13.354 -9.306 4.623 1.00 0.92 C ATOM 252 C ARG A 17 -12.770 -8.520 3.450 1.00 0.82 C ATOM 253 O ARG A 17 -12.812 -8.968 2.303 1.00 0.83 O ATOM 254 CB ARG A 17 -13.910 -10.653 4.148 1.00 1.01 C ATOM 255 CG ARG A 17 -13.672 -11.794 5.124 1.00 1.13 C ATOM 256 CD ARG A 17 -14.704 -12.897 4.959 1.00 1.19 C ATOM 257 NE ARG A 17 -15.762 -12.795 5.961 1.00 1.38 N ATOM 258 CZ ARG A 17 -16.353 -13.841 6.535 1.00 1.67 C ATOM 259 NH1 ARG A 17 -16.031 -15.080 6.173 1.00 1.84 N ATOM 260 NH2 ARG A 17 -17.270 -13.648 7.472 1.00 1.94 N ATOM 0 H ARG A 17 -14.228 -8.382 6.291 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.545 -9.483 5.332 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.982 -10.553 3.975 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.455 -10.906 3.190 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.674 -12.203 4.969 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -13.706 -11.413 6.145 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.140 -12.843 3.961 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -14.216 -13.868 5.041 1.00 1.19 H new ATOM 0 HE ARG A 17 -16.068 -11.862 6.239 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -15.327 -15.234 5.451 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -16.488 -15.876 6.617 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -17.522 -12.700 7.752 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -17.724 -14.448 7.913 1.00 1.94 H new ATOM 274 N LEU A 18 -12.197 -7.363 3.752 1.00 0.75 N ATOM 275 CA LEU A 18 -11.625 -6.505 2.727 1.00 0.67 C ATOM 276 C LEU A 18 -10.179 -6.137 3.056 1.00 0.63 C ATOM 277 O LEU A 18 -9.919 -5.367 3.980 1.00 0.66 O ATOM 278 CB LEU A 18 -12.471 -5.238 2.581 1.00 0.65 C ATOM 279 CG LEU A 18 -13.182 -5.073 1.236 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.225 -6.163 1.038 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.828 -3.701 1.139 1.00 0.66 C ATOM 0 H LEU A 18 -12.117 -6.998 4.701 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.625 -7.052 1.784 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.221 -5.229 3.372 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.828 -4.372 2.741 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.437 -5.164 0.446 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.717 -6.025 0.075 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.740 -7.139 1.061 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.966 -6.107 1.836 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.329 -3.602 0.176 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.557 -3.585 1.941 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.062 -2.931 1.231 1.00 0.66 H new ATOM 293 N SER A 19 -9.245 -6.693 2.291 1.00 0.63 N ATOM 294 CA SER A 19 -7.826 -6.425 2.483 1.00 0.64 C ATOM 295 C SER A 19 -7.174 -6.104 1.145 1.00 0.61 C ATOM 296 O SER A 19 -7.526 -6.687 0.119 1.00 0.70 O ATOM 297 CB SER A 19 -7.144 -7.626 3.131 1.00 0.77 C ATOM 298 OG SER A 19 -7.814 -7.995 4.324 1.00 1.44 O ATOM 0 H SER A 19 -9.449 -7.337 1.527 1.00 0.63 H new ATOM 0 HA SER A 19 -7.714 -5.566 3.145 1.00 0.64 H new ATOM 0 HB2 SER A 19 -7.137 -8.466 2.436 1.00 0.77 H new ATOM 0 HB3 SER A 19 -6.104 -7.386 3.351 1.00 0.77 H new ATOM 0 HG SER A 19 -8.095 -7.188 4.804 1.00 1.44 H new ATOM 304 N VAL A 20 -6.227 -5.184 1.156 1.00 0.55 N ATOM 305 CA VAL A 20 -5.556 -4.772 -0.064 1.00 0.56 C ATOM 306 C VAL A 20 -4.112 -5.272 -0.118 1.00 0.67 C ATOM 307 O VAL A 20 -3.474 -5.496 0.915 1.00 0.73 O ATOM 308 CB VAL A 20 -5.570 -3.234 -0.194 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.631 -2.599 0.818 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.215 -2.808 -1.609 1.00 0.53 C ATOM 0 H VAL A 20 -5.904 -4.707 1.998 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.102 -5.217 -0.896 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.580 -2.884 0.018 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.657 -1.515 0.708 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -4.946 -2.869 1.826 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.616 -2.957 0.647 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.231 -1.720 -1.676 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.219 -3.172 -1.859 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.940 -3.226 -2.307 1.00 0.53 H new ATOM 320 N ILE A 21 -3.612 -5.454 -1.334 1.00 0.73 N ATOM 321 CA ILE A 21 -2.244 -5.892 -1.545 1.00 0.86 C ATOM 322 C ILE A 21 -1.347 -4.676 -1.741 1.00 0.87 C ATOM 323 O ILE A 21 -1.337 -4.066 -2.812 1.00 0.88 O ATOM 324 CB ILE A 21 -2.129 -6.830 -2.773 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.796 -8.174 -2.468 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.670 -7.040 -3.173 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.705 -9.173 -3.601 1.00 1.10 C ATOM 0 H ILE A 21 -4.141 -5.303 -2.193 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.927 -6.453 -0.665 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.641 -6.359 -3.612 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.335 -8.604 -1.579 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.846 -8.002 -2.231 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.621 -7.702 -4.037 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.220 -6.080 -3.426 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.126 -7.488 -2.342 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.200 -10.100 -3.310 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.192 -8.764 -4.486 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.658 -9.376 -3.824 1.00 1.10 H new ATOM 339 N VAL A 22 -0.631 -4.306 -0.688 1.00 0.89 N ATOM 340 CA VAL A 22 0.281 -3.172 -0.738 1.00 0.93 C ATOM 341 C VAL A 22 1.676 -3.657 -1.096 1.00 1.07 C ATOM 342 O VAL A 22 2.275 -4.423 -0.346 1.00 1.15 O ATOM 343 CB VAL A 22 0.351 -2.423 0.613 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.055 -1.085 0.442 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.036 -2.229 1.205 1.00 0.80 C ATOM 0 H VAL A 22 -0.665 -4.778 0.216 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.097 -2.483 -1.493 1.00 0.93 H new ATOM 0 HB VAL A 22 0.928 -3.032 1.309 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.096 -0.570 1.402 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.068 -1.251 0.076 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.506 -0.474 -0.274 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.956 -1.700 2.154 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.648 -1.647 0.516 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.500 -3.201 1.370 1.00 0.80 H new ATOM 355 N THR A 23 2.189 -3.233 -2.238 1.00 1.12 N ATOM 356 CA THR A 23 3.515 -3.654 -2.655 1.00 1.26 C ATOM 357 C THR A 23 4.456 -2.467 -2.848 1.00 1.32 C ATOM 358 O THR A 23 4.060 -1.402 -3.330 1.00 1.28 O ATOM 359 CB THR A 23 3.473 -4.511 -3.940 1.00 1.33 C ATOM 360 OG1 THR A 23 4.795 -4.942 -4.286 1.00 1.89 O ATOM 361 CG2 THR A 23 2.868 -3.740 -5.104 1.00 1.63 C ATOM 0 H THR A 23 1.714 -2.605 -2.886 1.00 1.12 H new ATOM 0 HA THR A 23 3.905 -4.272 -1.846 1.00 1.26 H new ATOM 0 HB THR A 23 2.843 -5.378 -3.741 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.759 -5.486 -5.100 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.854 -4.373 -5.991 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.849 -3.443 -4.854 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.467 -2.851 -5.302 1.00 1.63 H new ATOM 369 N HIS A 24 5.698 -2.666 -2.433 1.00 1.45 N ATOM 370 CA HIS A 24 6.742 -1.661 -2.545 1.00 1.54 C ATOM 371 C HIS A 24 7.964 -2.276 -3.227 1.00 1.61 C ATOM 372 O HIS A 24 8.971 -2.561 -2.574 1.00 1.63 O ATOM 373 CB HIS A 24 7.107 -1.129 -1.151 1.00 1.58 C ATOM 374 CG HIS A 24 8.245 -0.150 -1.134 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.337 -0.278 -0.300 1.00 1.78 N ATOM 376 CD2 HIS A 24 8.462 0.969 -1.862 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.167 0.726 -0.511 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.663 1.493 -1.458 1.00 1.86 N ATOM 0 H HIS A 24 6.011 -3.537 -2.005 1.00 1.45 H new ATOM 0 HA HIS A 24 6.386 -0.825 -3.147 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.228 -0.652 -0.717 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.361 -1.973 -0.510 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.480 -1.030 0.374 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.810 1.375 -2.621 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.101 0.892 0.005 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.096 2.338 -1.829 1.00 1.86 H new ATOM 387 N SER A 25 7.843 -2.503 -4.535 1.00 1.68 N ATOM 388 CA SER A 25 8.910 -3.092 -5.351 1.00 1.77 C ATOM 389 C SER A 25 9.161 -4.556 -4.971 1.00 1.80 C ATOM 390 O SER A 25 8.903 -5.461 -5.761 1.00 1.90 O ATOM 391 CB SER A 25 10.195 -2.264 -5.238 1.00 1.78 C ATOM 392 OG SER A 25 9.941 -0.892 -5.507 1.00 1.90 O ATOM 0 H SER A 25 6.998 -2.283 -5.063 1.00 1.68 H new ATOM 0 HA SER A 25 8.585 -3.076 -6.391 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.614 -2.371 -4.237 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.940 -2.644 -5.938 1.00 1.78 H new ATOM 0 HG SER A 25 10.775 -0.383 -5.427 1.00 1.90 H new ATOM 398 N ASN A 26 9.647 -4.786 -3.761 1.00 1.77 N ATOM 399 CA ASN A 26 9.923 -6.133 -3.281 1.00 1.82 C ATOM 400 C ASN A 26 9.505 -6.248 -1.819 1.00 1.75 C ATOM 401 O ASN A 26 10.236 -6.777 -0.985 1.00 1.87 O ATOM 402 CB ASN A 26 11.413 -6.475 -3.435 1.00 1.95 C ATOM 403 CG ASN A 26 11.681 -7.970 -3.348 1.00 2.06 C ATOM 404 OD1 ASN A 26 10.840 -8.788 -3.728 1.00 2.28 O ATOM 405 ND2 ASN A 26 12.855 -8.336 -2.855 1.00 2.32 N ATOM 0 H ASN A 26 9.860 -4.050 -3.087 1.00 1.77 H new ATOM 0 HA ASN A 26 9.351 -6.842 -3.879 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.771 -6.100 -4.394 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.982 -5.962 -2.660 1.00 1.95 H new ATOM 0 HD21 ASN A 26 13.090 -9.326 -2.779 1.00 2.32 H new ATOM 0 HD22 ASN A 26 13.524 -7.628 -2.551 1.00 2.32 H new ATOM 412 N GLU A 27 8.320 -5.742 -1.521 1.00 1.66 N ATOM 413 CA GLU A 27 7.785 -5.758 -0.169 1.00 1.60 C ATOM 414 C GLU A 27 6.265 -5.721 -0.219 1.00 1.47 C ATOM 415 O GLU A 27 5.687 -4.788 -0.770 1.00 1.48 O ATOM 416 CB GLU A 27 8.324 -4.551 0.605 1.00 1.63 C ATOM 417 CG GLU A 27 7.655 -4.309 1.947 1.00 1.89 C ATOM 418 CD GLU A 27 8.276 -3.147 2.696 1.00 1.91 C ATOM 419 OE1 GLU A 27 9.272 -3.366 3.417 1.00 2.24 O ATOM 420 OE2 GLU A 27 7.771 -2.011 2.558 1.00 2.14 O ATOM 0 H GLU A 27 7.702 -5.309 -2.208 1.00 1.66 H new ATOM 0 HA GLU A 27 8.095 -6.671 0.338 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.393 -4.688 0.767 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.206 -3.659 -0.011 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.594 -4.113 1.792 1.00 1.89 H new ATOM 0 HG3 GLU A 27 7.727 -5.211 2.555 1.00 1.89 H new ATOM 427 N ARG A 28 5.619 -6.735 0.336 1.00 1.44 N ATOM 428 CA ARG A 28 4.169 -6.789 0.330 1.00 1.33 C ATOM 429 C ARG A 28 3.612 -6.732 1.747 1.00 1.28 C ATOM 430 O ARG A 28 4.089 -7.422 2.648 1.00 1.36 O ATOM 431 CB ARG A 28 3.684 -8.056 -0.381 1.00 1.41 C ATOM 432 CG ARG A 28 2.387 -7.861 -1.156 1.00 1.45 C ATOM 433 CD ARG A 28 1.180 -7.794 -0.232 1.00 1.48 C ATOM 434 NE ARG A 28 0.670 -9.121 0.105 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.440 -9.342 0.811 1.00 1.51 C ATOM 436 NH1 ARG A 28 -1.164 -8.328 1.269 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.829 -10.584 1.057 1.00 1.92 N ATOM 0 H ARG A 28 6.074 -7.526 0.793 1.00 1.44 H new ATOM 0 HA ARG A 28 3.802 -5.918 -0.214 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.460 -8.397 -1.067 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.541 -8.845 0.357 1.00 1.41 H new ATOM 0 HG2 ARG A 28 2.448 -6.943 -1.741 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.259 -8.681 -1.862 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.453 -7.268 0.683 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.391 -7.213 -0.709 1.00 1.48 H new ATOM 0 HE ARG A 28 1.197 -9.931 -0.221 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.873 -7.368 1.082 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -2.011 -8.509 1.808 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -0.280 -11.369 0.707 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.677 -10.755 1.597 1.00 1.92 H new ATOM 451 N TYR A 29 2.607 -5.890 1.930 1.00 1.17 N ATOM 452 CA TYR A 29 1.955 -5.730 3.218 1.00 1.13 C ATOM 453 C TYR A 29 0.453 -5.932 3.058 1.00 1.01 C ATOM 454 O TYR A 29 -0.096 -5.714 1.975 1.00 1.00 O ATOM 455 CB TYR A 29 2.238 -4.339 3.794 1.00 1.13 C ATOM 456 CG TYR A 29 2.779 -4.372 5.205 1.00 1.30 C ATOM 457 CD1 TYR A 29 1.927 -4.508 6.295 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.142 -4.263 5.448 1.00 1.60 C ATOM 459 CE1 TYR A 29 2.421 -4.533 7.586 1.00 1.82 C ATOM 460 CE2 TYR A 29 4.642 -4.289 6.735 1.00 1.88 C ATOM 461 CZ TYR A 29 3.779 -4.424 7.800 1.00 1.91 C ATOM 462 OH TYR A 29 4.273 -4.449 9.083 1.00 2.29 O ATOM 0 H TYR A 29 2.222 -5.301 1.192 1.00 1.17 H new ATOM 0 HA TYR A 29 2.350 -6.476 3.908 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.953 -3.826 3.151 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.319 -3.754 3.779 1.00 1.13 H new ATOM 0 HD1 TYR A 29 0.863 -4.595 6.131 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.823 -4.156 4.616 1.00 1.60 H new ATOM 0 HE1 TYR A 29 1.747 -4.637 8.423 1.00 1.82 H new ATOM 0 HE2 TYR A 29 5.705 -4.204 6.906 1.00 1.88 H new ATOM 0 HH TYR A 29 5.249 -4.362 9.060 1.00 2.29 H new ATOM 472 N ASP A 30 -0.200 -6.368 4.124 1.00 0.98 N ATOM 473 CA ASP A 30 -1.639 -6.593 4.095 1.00 0.90 C ATOM 474 C ASP A 30 -2.341 -5.538 4.933 1.00 0.84 C ATOM 475 O ASP A 30 -2.217 -5.523 6.158 1.00 0.96 O ATOM 476 CB ASP A 30 -1.976 -7.988 4.622 1.00 0.97 C ATOM 477 CG ASP A 30 -3.254 -8.537 4.028 1.00 1.07 C ATOM 478 OD1 ASP A 30 -3.225 -8.967 2.856 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.289 -8.553 4.726 1.00 1.34 O ATOM 0 H ASP A 30 0.242 -6.573 5.020 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.983 -6.521 3.063 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.153 -8.667 4.397 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.070 -7.950 5.707 1.00 0.97 H new ATOM 484 N LEU A 31 -3.057 -4.645 4.274 1.00 0.71 N ATOM 485 CA LEU A 31 -3.761 -3.579 4.967 1.00 0.66 C ATOM 486 C LEU A 31 -5.263 -3.699 4.749 1.00 0.58 C ATOM 487 O LEU A 31 -5.718 -4.088 3.672 1.00 0.59 O ATOM 488 CB LEU A 31 -3.260 -2.215 4.479 1.00 0.66 C ATOM 489 CG LEU A 31 -3.003 -1.167 5.574 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.306 -0.530 6.041 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.263 -1.791 6.749 1.00 0.98 C ATOM 0 H LEU A 31 -3.167 -4.636 3.260 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.561 -3.667 6.035 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.335 -2.366 3.923 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -3.990 -1.810 3.779 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.378 -0.382 5.148 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -4.094 0.207 6.815 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.794 -0.040 5.198 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.964 -1.300 6.444 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -2.090 -1.034 7.514 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.862 -2.600 7.168 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.306 -2.187 6.408 1.00 0.98 H new ATOM 503 N LEU A 32 -6.019 -3.373 5.785 1.00 0.55 N ATOM 504 CA LEU A 32 -7.468 -3.431 5.734 1.00 0.52 C ATOM 505 C LEU A 32 -8.027 -2.192 5.043 1.00 0.43 C ATOM 506 O LEU A 32 -7.496 -1.093 5.200 1.00 0.43 O ATOM 507 CB LEU A 32 -8.030 -3.534 7.153 1.00 0.60 C ATOM 508 CG LEU A 32 -9.554 -3.598 7.249 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.018 -5.026 7.490 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.053 -2.677 8.349 1.00 0.85 C ATOM 0 H LEU A 32 -5.645 -3.062 6.682 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.764 -4.311 5.163 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.615 -4.424 7.627 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.682 -2.675 7.727 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.974 -3.262 6.301 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.106 -5.049 7.555 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.690 -5.659 6.665 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.591 -5.395 8.422 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.140 -2.733 8.405 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.624 -2.984 9.303 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.754 -1.652 8.129 1.00 0.85 H new ATOM 522 N VAL A 33 -9.094 -2.382 4.282 1.00 0.41 N ATOM 523 CA VAL A 33 -9.732 -1.289 3.560 1.00 0.36 C ATOM 524 C VAL A 33 -10.393 -0.308 4.520 1.00 0.41 C ATOM 525 O VAL A 33 -10.933 -0.710 5.556 1.00 0.51 O ATOM 526 CB VAL A 33 -10.783 -1.829 2.569 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.531 -0.702 1.874 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.118 -2.725 1.549 1.00 0.56 C ATOM 0 H VAL A 33 -9.540 -3.289 4.147 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.954 -0.765 3.005 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.513 -2.407 3.136 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.263 -1.122 1.184 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.043 -0.092 2.618 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.824 -0.083 1.321 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.867 -3.102 0.853 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.366 -2.157 1.001 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.640 -3.563 2.057 1.00 0.56 H new ATOM 538 N THR A 34 -10.347 0.969 4.166 1.00 0.39 N ATOM 539 CA THR A 34 -10.938 2.015 4.981 1.00 0.48 C ATOM 540 C THR A 34 -12.468 1.921 4.949 1.00 0.59 C ATOM 541 O THR A 34 -13.093 2.164 3.914 1.00 0.65 O ATOM 542 CB THR A 34 -10.493 3.404 4.492 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.138 3.346 4.025 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.603 4.432 5.607 1.00 0.64 C ATOM 0 H THR A 34 -9.902 1.305 3.312 1.00 0.39 H new ATOM 0 HA THR A 34 -10.595 1.877 6.006 1.00 0.48 H new ATOM 0 HB THR A 34 -11.149 3.705 3.675 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.104 2.850 3.180 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.283 5.406 5.237 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.638 4.494 5.944 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.967 4.134 6.441 1.00 0.64 H new ATOM 552 N PRO A 35 -13.087 1.566 6.086 1.00 0.73 N ATOM 553 CA PRO A 35 -14.536 1.415 6.187 1.00 0.89 C ATOM 554 C PRO A 35 -15.254 2.729 6.497 1.00 0.93 C ATOM 555 O PRO A 35 -14.770 3.805 6.146 1.00 0.93 O ATOM 556 CB PRO A 35 -14.673 0.435 7.348 1.00 1.07 C ATOM 557 CG PRO A 35 -13.527 0.761 8.252 1.00 1.07 C ATOM 558 CD PRO A 35 -12.418 1.288 7.370 1.00 0.82 C ATOM 0 HA PRO A 35 -14.988 1.081 5.253 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.628 0.556 7.859 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.625 -0.598 7.003 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.818 1.504 8.994 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.200 -0.124 8.798 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.968 2.188 7.789 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.618 0.556 7.254 1.00 0.82 H new ATOM 566 N GLN A 36 -16.415 2.619 7.156 1.00 1.02 N ATOM 567 CA GLN A 36 -17.228 3.776 7.534 1.00 1.13 C ATOM 568 C GLN A 36 -17.772 4.493 6.304 1.00 1.16 C ATOM 569 O GLN A 36 -17.866 5.721 6.274 1.00 1.24 O ATOM 570 CB GLN A 36 -16.433 4.750 8.413 1.00 1.16 C ATOM 571 CG GLN A 36 -16.048 4.179 9.771 1.00 1.38 C ATOM 572 CD GLN A 36 -15.337 5.191 10.647 1.00 1.95 C ATOM 573 OE1 GLN A 36 -15.582 6.393 10.555 1.00 2.47 O ATOM 574 NE2 GLN A 36 -14.454 4.711 11.506 1.00 2.33 N ATOM 0 H GLN A 36 -16.814 1.725 7.441 1.00 1.02 H new ATOM 0 HA GLN A 36 -18.073 3.405 8.114 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.527 5.046 7.884 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -17.024 5.654 8.564 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.945 3.828 10.281 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.404 3.312 9.627 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -14.280 3.707 11.551 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -13.947 5.345 12.124 1.00 2.33 H new ATOM 583 N GLN A 37 -18.141 3.722 5.290 1.00 1.15 N ATOM 584 CA GLN A 37 -18.693 4.291 4.071 1.00 1.23 C ATOM 585 C GLN A 37 -19.809 3.403 3.520 1.00 1.30 C ATOM 586 O GLN A 37 -20.966 3.549 3.907 1.00 1.64 O ATOM 587 CB GLN A 37 -17.598 4.502 3.024 1.00 1.16 C ATOM 588 CG GLN A 37 -17.615 5.892 2.405 1.00 1.33 C ATOM 589 CD GLN A 37 -18.895 6.180 1.641 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.473 5.294 1.012 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.349 7.421 1.696 1.00 1.82 N ATOM 0 H GLN A 37 -18.068 2.705 5.288 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.120 5.265 4.312 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.626 4.330 3.486 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -17.712 3.759 2.235 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.491 6.637 3.191 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.764 5.995 1.732 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.841 8.127 2.229 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.208 7.672 1.206 1.00 1.82 H new ATOM 600 N GLY A 38 -19.466 2.477 2.632 1.00 1.14 N ATOM 601 CA GLY A 38 -20.474 1.601 2.065 1.00 1.21 C ATOM 602 C GLY A 38 -20.020 0.161 2.003 1.00 1.14 C ATOM 603 O GLY A 38 -20.249 -0.521 1.004 1.00 1.17 O ATOM 0 H GLY A 38 -18.516 2.318 2.297 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.384 1.666 2.661 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.725 1.943 1.061 1.00 1.21 H new ATOM 607 N ASN A 39 -19.376 -0.289 3.079 1.00 1.13 N ATOM 608 CA ASN A 39 -18.857 -1.658 3.195 1.00 1.11 C ATOM 609 C ASN A 39 -17.825 -1.951 2.110 1.00 0.97 C ATOM 610 O ASN A 39 -16.625 -1.822 2.343 1.00 0.89 O ATOM 611 CB ASN A 39 -19.990 -2.692 3.156 1.00 1.30 C ATOM 612 CG ASN A 39 -20.964 -2.523 4.307 1.00 1.40 C ATOM 613 OD1 ASN A 39 -21.999 -1.872 4.166 1.00 1.84 O ATOM 614 ND2 ASN A 39 -20.636 -3.094 5.454 1.00 1.70 N ATOM 0 H ASN A 39 -19.197 0.287 3.902 1.00 1.13 H new ATOM 0 HA ASN A 39 -18.364 -1.737 4.164 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -20.528 -2.603 2.212 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.565 -3.695 3.187 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -21.250 -3.003 6.263 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -19.769 -3.625 5.529 1.00 1.70 H new ATOM 621 N SER A 40 -18.294 -2.347 0.934 1.00 1.02 N ATOM 622 CA SER A 40 -17.417 -2.638 -0.186 1.00 0.95 C ATOM 623 C SER A 40 -16.949 -1.339 -0.838 1.00 0.87 C ATOM 624 O SER A 40 -15.977 -1.319 -1.592 1.00 0.82 O ATOM 625 CB SER A 40 -18.156 -3.509 -1.200 1.00 1.07 C ATOM 626 OG SER A 40 -19.235 -4.196 -0.580 1.00 1.30 O ATOM 0 H SER A 40 -19.286 -2.474 0.733 1.00 1.02 H new ATOM 0 HA SER A 40 -16.540 -3.178 0.172 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.533 -2.889 -2.013 1.00 1.07 H new ATOM 0 HB3 SER A 40 -17.466 -4.228 -1.641 1.00 1.07 H new ATOM 0 HG SER A 40 -19.697 -4.747 -1.245 1.00 1.30 H new ATOM 632 N GLU A 41 -17.666 -0.259 -0.543 1.00 0.92 N ATOM 633 CA GLU A 41 -17.334 1.058 -1.066 1.00 0.88 C ATOM 634 C GLU A 41 -16.504 1.826 -0.041 1.00 0.81 C ATOM 635 O GLU A 41 -17.023 2.224 1.007 1.00 0.90 O ATOM 636 CB GLU A 41 -18.612 1.836 -1.391 1.00 1.02 C ATOM 637 CG GLU A 41 -19.473 1.184 -2.462 1.00 1.34 C ATOM 638 CD GLU A 41 -20.747 1.960 -2.740 1.00 1.49 C ATOM 639 OE1 GLU A 41 -20.787 3.177 -2.454 1.00 1.73 O ATOM 640 OE2 GLU A 41 -21.716 1.358 -3.246 1.00 1.83 O ATOM 0 H GLU A 41 -18.488 -0.273 0.061 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.754 0.939 -1.981 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.201 1.944 -0.481 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.342 2.840 -1.717 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.897 1.097 -3.383 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.730 0.172 -2.150 1.00 1.34 H new ATOM 647 N PRO A 42 -15.201 2.011 -0.306 1.00 0.69 N ATOM 648 CA PRO A 42 -14.299 2.728 0.591 1.00 0.67 C ATOM 649 C PRO A 42 -14.352 4.248 0.398 1.00 0.69 C ATOM 650 O PRO A 42 -14.979 4.748 -0.537 1.00 0.77 O ATOM 651 CB PRO A 42 -12.907 2.199 0.201 1.00 0.60 C ATOM 652 CG PRO A 42 -13.123 1.226 -0.918 1.00 0.62 C ATOM 653 CD PRO A 42 -14.481 1.519 -1.482 1.00 0.64 C ATOM 0 HA PRO A 42 -14.564 2.563 1.635 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.256 3.014 -0.114 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.424 1.714 1.049 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.354 1.337 -1.682 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.067 0.200 -0.556 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.440 2.264 -2.276 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.948 0.629 -1.903 1.00 0.64 H new ATOM 661 N VAL A 43 -13.684 4.976 1.289 1.00 0.67 N ATOM 662 CA VAL A 43 -13.642 6.435 1.222 1.00 0.72 C ATOM 663 C VAL A 43 -12.602 6.900 0.203 1.00 0.65 C ATOM 664 O VAL A 43 -11.808 6.102 -0.290 1.00 0.58 O ATOM 665 CB VAL A 43 -13.312 7.067 2.592 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.415 6.786 3.598 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.975 6.563 3.110 1.00 0.67 C ATOM 0 H VAL A 43 -13.162 4.578 2.069 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.636 6.762 0.916 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.242 8.146 2.457 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.159 7.241 4.555 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.353 7.206 3.236 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.525 5.709 3.726 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.763 7.021 4.076 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.014 5.480 3.223 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.188 6.826 2.403 1.00 0.67 H new ATOM 677 N VAL A 44 -12.593 8.193 -0.095 1.00 0.72 N ATOM 678 CA VAL A 44 -11.644 8.745 -1.055 1.00 0.71 C ATOM 679 C VAL A 44 -10.225 8.767 -0.493 1.00 0.66 C ATOM 680 O VAL A 44 -9.262 8.968 -1.230 1.00 0.68 O ATOM 681 CB VAL A 44 -12.033 10.168 -1.511 1.00 0.85 C ATOM 682 CG1 VAL A 44 -12.905 10.109 -2.757 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.744 10.930 -0.401 1.00 0.98 C ATOM 0 H VAL A 44 -13.230 8.878 0.312 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.676 8.084 -1.921 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.115 10.704 -1.751 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.170 11.121 -3.064 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -12.358 9.617 -3.561 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -13.813 9.547 -2.539 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.004 11.928 -0.754 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.651 10.397 -0.117 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -12.086 11.011 0.464 1.00 0.98 H new ATOM 693 N GLN A 45 -10.099 8.555 0.814 1.00 0.66 N ATOM 694 CA GLN A 45 -8.794 8.541 1.463 1.00 0.65 C ATOM 695 C GLN A 45 -8.283 7.112 1.598 1.00 0.57 C ATOM 696 O GLN A 45 -7.188 6.886 2.105 1.00 0.62 O ATOM 697 CB GLN A 45 -8.867 9.173 2.860 1.00 0.74 C ATOM 698 CG GLN A 45 -9.224 10.651 2.872 1.00 1.07 C ATOM 699 CD GLN A 45 -10.712 10.901 2.715 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.539 10.037 3.012 1.00 1.88 O ATOM 701 NE2 GLN A 45 -11.061 12.090 2.252 1.00 1.94 N ATOM 0 H GLN A 45 -10.885 8.391 1.443 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.112 9.121 0.842 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.605 8.630 3.451 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.904 9.042 3.354 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.883 11.094 3.808 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -8.689 11.155 2.067 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -10.344 12.777 2.018 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -12.047 12.320 2.129 1.00 1.94 H new ATOM 710 N ASP A 46 -9.078 6.155 1.126 1.00 0.49 N ATOM 711 CA ASP A 46 -8.732 4.737 1.228 1.00 0.42 C ATOM 712 C ASP A 46 -7.385 4.413 0.593 1.00 0.41 C ATOM 713 O ASP A 46 -6.460 3.997 1.282 1.00 0.46 O ATOM 714 CB ASP A 46 -9.812 3.871 0.586 1.00 0.38 C ATOM 715 CG ASP A 46 -9.427 2.407 0.565 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.385 1.789 1.650 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.161 1.875 -0.542 1.00 0.31 O ATOM 0 H ASP A 46 -9.971 6.336 0.667 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.661 4.515 2.293 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.747 3.992 1.133 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -9.993 4.213 -0.433 1.00 0.38 H new ATOM 722 N LEU A 47 -7.276 4.624 -0.717 1.00 0.46 N ATOM 723 CA LEU A 47 -6.041 4.330 -1.456 1.00 0.54 C ATOM 724 C LEU A 47 -4.819 4.986 -0.813 1.00 0.56 C ATOM 725 O LEU A 47 -3.702 4.478 -0.912 1.00 0.65 O ATOM 726 CB LEU A 47 -6.165 4.774 -2.921 1.00 0.66 C ATOM 727 CG LEU A 47 -5.992 6.276 -3.182 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.647 6.527 -4.639 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.252 7.041 -2.803 1.00 1.00 C ATOM 0 H LEU A 47 -8.029 4.999 -1.294 1.00 0.46 H new ATOM 0 HA LEU A 47 -5.897 3.250 -1.420 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.422 4.235 -3.508 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.145 4.471 -3.291 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.171 6.634 -2.560 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.528 7.598 -4.806 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.716 6.016 -4.886 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.448 6.148 -5.273 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.105 8.103 -2.997 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.091 6.677 -3.396 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.464 6.891 -1.744 1.00 1.00 H new ATOM 741 N ALA A 48 -5.042 6.105 -0.146 1.00 0.58 N ATOM 742 CA ALA A 48 -3.972 6.827 0.509 1.00 0.69 C ATOM 743 C ALA A 48 -3.643 6.198 1.861 1.00 0.67 C ATOM 744 O ALA A 48 -2.480 5.960 2.177 1.00 0.76 O ATOM 745 CB ALA A 48 -4.368 8.288 0.675 1.00 0.83 C ATOM 0 H ALA A 48 -5.962 6.533 -0.045 1.00 0.58 H new ATOM 0 HA ALA A 48 -3.077 6.771 -0.110 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.561 8.830 1.168 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.555 8.728 -0.305 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -5.272 8.353 1.280 1.00 0.83 H new ATOM 751 N GLN A 49 -4.681 5.900 2.635 1.00 0.60 N ATOM 752 CA GLN A 49 -4.522 5.314 3.961 1.00 0.62 C ATOM 753 C GLN A 49 -3.978 3.888 3.893 1.00 0.59 C ATOM 754 O GLN A 49 -3.214 3.471 4.764 1.00 0.66 O ATOM 755 CB GLN A 49 -5.863 5.326 4.700 1.00 0.62 C ATOM 756 CG GLN A 49 -5.751 5.023 6.185 1.00 0.95 C ATOM 757 CD GLN A 49 -5.452 6.253 7.030 1.00 1.27 C ATOM 758 OE1 GLN A 49 -4.756 7.231 6.462 1.00 1.86 O flip ATOM 759 NE2 GLN A 49 -5.842 6.324 8.193 1.00 1.43 N flip ATOM 0 H GLN A 49 -5.651 6.057 2.363 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.796 5.919 4.505 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.328 6.304 4.573 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.527 4.595 4.239 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.683 4.573 6.528 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -4.964 4.285 6.340 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -6.375 5.555 8.600 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -5.633 7.152 8.751 1.00 1.43 H new ATOM 768 N LEU A 50 -4.375 3.154 2.856 1.00 0.52 N ATOM 769 CA LEU A 50 -3.937 1.772 2.665 1.00 0.53 C ATOM 770 C LEU A 50 -2.419 1.648 2.720 1.00 0.65 C ATOM 771 O LEU A 50 -1.878 0.792 3.417 1.00 0.72 O ATOM 772 CB LEU A 50 -4.441 1.233 1.323 1.00 0.46 C ATOM 773 CG LEU A 50 -5.953 1.037 1.219 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.327 0.507 -0.155 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.448 0.097 2.307 1.00 0.40 C ATOM 0 H LEU A 50 -5.004 3.496 2.130 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.359 1.184 3.480 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.126 1.917 0.535 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -3.954 0.277 1.129 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.435 2.005 1.358 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.407 0.373 -0.212 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.009 1.217 -0.918 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.834 -0.450 -0.322 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.527 -0.029 2.216 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -5.959 -0.871 2.201 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.214 0.517 3.285 1.00 0.40 H new ATOM 787 N VAL A 51 -1.735 2.510 1.990 1.00 0.70 N ATOM 788 CA VAL A 51 -0.284 2.486 1.956 1.00 0.84 C ATOM 789 C VAL A 51 0.294 3.251 3.140 1.00 0.90 C ATOM 790 O VAL A 51 1.343 2.890 3.677 1.00 1.01 O ATOM 791 CB VAL A 51 0.252 3.083 0.644 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.697 2.682 0.427 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.606 2.648 -0.531 1.00 1.37 C ATOM 0 H VAL A 51 -2.161 3.235 1.413 1.00 0.70 H new ATOM 0 HA VAL A 51 0.028 1.443 2.016 1.00 0.84 H new ATOM 0 HB VAL A 51 0.206 4.170 0.718 1.00 0.90 H new ATOM 0 HG11 VAL A 51 2.058 3.114 -0.506 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.304 3.047 1.255 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.769 1.596 0.376 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.211 3.081 -1.450 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.594 1.561 -0.607 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.630 2.990 -0.380 1.00 1.37 H new ATOM 803 N GLU A 52 -0.416 4.295 3.552 1.00 0.86 N ATOM 804 CA GLU A 52 0.001 5.125 4.677 1.00 0.93 C ATOM 805 C GLU A 52 0.189 4.287 5.936 1.00 0.95 C ATOM 806 O GLU A 52 1.268 4.271 6.536 1.00 1.07 O ATOM 807 CB GLU A 52 -1.051 6.201 4.943 1.00 0.91 C ATOM 808 CG GLU A 52 -0.520 7.621 4.870 1.00 1.13 C ATOM 809 CD GLU A 52 -1.306 8.578 5.737 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.424 8.970 5.346 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.800 8.947 6.820 1.00 1.40 O ATOM 0 H GLU A 52 -1.292 4.589 3.119 1.00 0.86 H new ATOM 0 HA GLU A 52 0.953 5.589 4.421 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -1.859 6.090 4.220 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.482 6.036 5.931 1.00 0.91 H new ATOM 0 HG2 GLU A 52 0.525 7.631 5.179 1.00 1.13 H new ATOM 0 HG3 GLU A 52 -0.550 7.964 3.836 1.00 1.13 H new ATOM 818 N GLU A 53 -0.853 3.560 6.306 1.00 0.86 N ATOM 819 CA GLU A 53 -0.832 2.741 7.510 1.00 0.89 C ATOM 820 C GLU A 53 -0.223 1.367 7.254 1.00 0.93 C ATOM 821 O GLU A 53 -0.275 0.489 8.113 1.00 1.01 O ATOM 822 CB GLU A 53 -2.248 2.600 8.054 1.00 0.85 C ATOM 823 CG GLU A 53 -2.332 2.703 9.566 1.00 1.33 C ATOM 824 CD GLU A 53 -3.744 2.937 10.045 1.00 1.45 C ATOM 825 OE1 GLU A 53 -4.515 1.957 10.131 1.00 1.81 O ATOM 826 OE2 GLU A 53 -4.095 4.100 10.332 1.00 1.99 O ATOM 0 H GLU A 53 -1.730 3.520 5.787 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.203 3.240 8.247 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.877 3.372 7.610 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.654 1.638 7.741 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -1.946 1.787 10.013 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.694 3.518 9.909 1.00 1.33 H new ATOM 833 N ALA A 54 0.362 1.180 6.079 1.00 0.93 N ATOM 834 CA ALA A 54 0.983 -0.096 5.746 1.00 1.00 C ATOM 835 C ALA A 54 2.286 -0.267 6.516 1.00 1.15 C ATOM 836 O ALA A 54 2.729 -1.386 6.766 1.00 1.28 O ATOM 837 CB ALA A 54 1.231 -0.207 4.251 1.00 1.06 C ATOM 0 H ALA A 54 0.420 1.887 5.346 1.00 0.93 H new ATOM 0 HA ALA A 54 0.298 -0.893 6.035 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.695 -1.168 4.030 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.283 -0.130 3.718 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.893 0.598 3.931 1.00 1.06 H new ATOM 843 N THR A 55 2.896 0.853 6.884 1.00 1.21 N ATOM 844 CA THR A 55 4.146 0.839 7.634 1.00 1.38 C ATOM 845 C THR A 55 4.360 2.163 8.364 1.00 1.40 C ATOM 846 O THR A 55 5.396 2.373 8.994 1.00 1.55 O ATOM 847 CB THR A 55 5.350 0.574 6.704 1.00 1.60 C ATOM 848 OG1 THR A 55 4.944 0.686 5.331 1.00 1.81 O ATOM 849 CG2 THR A 55 5.940 -0.806 6.951 1.00 1.77 C ATOM 0 H THR A 55 2.543 1.787 6.674 1.00 1.21 H new ATOM 0 HA THR A 55 4.075 0.033 8.364 1.00 1.38 H new ATOM 0 HB THR A 55 6.115 1.320 6.921 1.00 1.60 H new ATOM 0 HG1 THR A 55 4.442 1.518 5.205 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.786 -0.965 6.282 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.276 -0.878 7.985 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.181 -1.565 6.763 1.00 1.77 H new ATOM 857 N GLY A 56 3.368 3.049 8.295 1.00 1.30 N ATOM 858 CA GLY A 56 3.493 4.345 8.932 1.00 1.34 C ATOM 859 C GLY A 56 4.286 5.303 8.070 1.00 1.42 C ATOM 860 O GLY A 56 5.186 5.993 8.550 1.00 1.55 O ATOM 0 H GLY A 56 2.484 2.891 7.811 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.502 4.757 9.122 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.982 4.232 9.900 1.00 1.34 H new ATOM 864 N VAL A 57 3.928 5.356 6.796 1.00 1.37 N ATOM 865 CA VAL A 57 4.611 6.208 5.831 1.00 1.46 C ATOM 866 C VAL A 57 3.783 7.453 5.543 1.00 1.37 C ATOM 867 O VAL A 57 2.570 7.358 5.356 1.00 1.26 O ATOM 868 CB VAL A 57 4.847 5.462 4.497 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.959 6.117 3.690 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.156 3.994 4.740 1.00 1.63 C ATOM 0 H VAL A 57 3.160 4.813 6.402 1.00 1.37 H new ATOM 0 HA VAL A 57 5.571 6.486 6.266 1.00 1.46 H new ATOM 0 HB VAL A 57 3.926 5.525 3.917 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.102 5.571 2.758 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.688 7.149 3.468 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.884 6.101 4.266 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.318 3.493 3.785 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.054 3.908 5.352 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.318 3.527 5.258 1.00 1.63 H new ATOM 880 N PRO A 58 4.412 8.639 5.547 1.00 1.45 N ATOM 881 CA PRO A 58 3.720 9.892 5.249 1.00 1.41 C ATOM 882 C PRO A 58 3.325 9.979 3.775 1.00 1.35 C ATOM 883 O PRO A 58 4.048 9.503 2.895 1.00 1.39 O ATOM 884 CB PRO A 58 4.742 10.973 5.611 1.00 1.56 C ATOM 885 CG PRO A 58 6.066 10.297 5.509 1.00 1.67 C ATOM 886 CD PRO A 58 5.835 8.852 5.861 1.00 1.63 C ATOM 0 HA PRO A 58 2.787 9.991 5.803 1.00 1.41 H new ATOM 0 HB2 PRO A 58 4.678 11.822 4.930 1.00 1.56 H new ATOM 0 HB3 PRO A 58 4.571 11.358 6.616 1.00 1.56 H new ATOM 0 HG2 PRO A 58 6.473 10.391 4.502 1.00 1.67 H new ATOM 0 HG3 PRO A 58 6.787 10.751 6.188 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.477 8.191 5.279 1.00 1.63 H new ATOM 0 HD3 PRO A 58 6.047 8.657 6.912 1.00 1.63 H new ATOM 894 N LEU A 59 2.173 10.587 3.517 1.00 1.29 N ATOM 895 CA LEU A 59 1.648 10.724 2.159 1.00 1.26 C ATOM 896 C LEU A 59 2.650 11.345 1.173 1.00 1.34 C ATOM 897 O LEU A 59 2.902 10.753 0.126 1.00 1.35 O ATOM 898 CB LEU A 59 0.334 11.517 2.157 1.00 1.25 C ATOM 899 CG LEU A 59 -0.898 10.733 2.610 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.125 11.632 2.609 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.122 9.528 1.709 1.00 1.54 C ATOM 0 H LEU A 59 1.578 10.997 4.237 1.00 1.29 H new ATOM 0 HA LEU A 59 1.458 9.710 1.809 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.451 12.386 2.805 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.156 11.893 1.149 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.729 10.377 3.626 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.995 11.061 2.934 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -1.965 12.467 3.291 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.296 12.013 1.602 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.003 8.981 2.045 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.273 9.864 0.683 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.251 8.875 1.752 1.00 1.54 H new ATOM 913 N PRO A 60 3.263 12.516 1.474 1.00 1.42 N ATOM 914 CA PRO A 60 4.218 13.162 0.557 1.00 1.52 C ATOM 915 C PRO A 60 5.582 12.465 0.515 1.00 1.60 C ATOM 916 O PRO A 60 6.614 13.106 0.307 1.00 1.79 O ATOM 917 CB PRO A 60 4.367 14.586 1.124 1.00 1.61 C ATOM 918 CG PRO A 60 3.331 14.708 2.194 1.00 1.56 C ATOM 919 CD PRO A 60 3.090 13.317 2.691 1.00 1.46 C ATOM 0 HA PRO A 60 3.857 13.129 -0.471 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.367 14.743 1.528 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.216 15.335 0.346 1.00 1.61 H new ATOM 0 HG2 PRO A 60 3.676 15.356 2.999 1.00 1.56 H new ATOM 0 HG3 PRO A 60 2.414 15.147 1.802 1.00 1.56 H new ATOM 0 HD2 PRO A 60 3.800 13.034 3.468 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.092 13.204 3.114 1.00 1.46 H new ATOM 927 N PHE A 61 5.586 11.155 0.708 1.00 1.55 N ATOM 928 CA PHE A 61 6.821 10.380 0.691 1.00 1.63 C ATOM 929 C PHE A 61 6.649 9.092 -0.114 1.00 1.59 C ATOM 930 O PHE A 61 7.631 8.466 -0.520 1.00 1.70 O ATOM 931 CB PHE A 61 7.245 10.052 2.122 1.00 1.66 C ATOM 932 CG PHE A 61 8.712 9.777 2.281 1.00 1.80 C ATOM 933 CD1 PHE A 61 9.642 10.783 2.075 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.162 8.518 2.646 1.00 2.00 C ATOM 935 CE1 PHE A 61 10.994 10.539 2.229 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.511 8.267 2.799 1.00 2.25 C ATOM 937 CZ PHE A 61 11.430 9.280 2.591 1.00 2.34 C ATOM 0 H PHE A 61 4.746 10.603 0.879 1.00 1.55 H new ATOM 0 HA PHE A 61 7.596 10.978 0.212 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.970 10.884 2.770 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.684 9.182 2.465 1.00 1.66 H new ATOM 0 HD1 PHE A 61 9.307 11.770 1.791 1.00 1.95 H new ATOM 0 HD2 PHE A 61 8.449 7.724 2.813 1.00 2.00 H new ATOM 0 HE1 PHE A 61 11.708 11.332 2.066 1.00 2.23 H new ATOM 0 HE2 PHE A 61 10.849 7.281 3.081 1.00 2.25 H new ATOM 0 HZ PHE A 61 12.486 9.086 2.711 1.00 2.34 H new ATOM 947 N GLN A 62 5.398 8.713 -0.356 1.00 1.47 N ATOM 948 CA GLN A 62 5.091 7.502 -1.104 1.00 1.44 C ATOM 949 C GLN A 62 4.255 7.834 -2.336 1.00 1.40 C ATOM 950 O GLN A 62 3.239 8.523 -2.248 1.00 1.55 O ATOM 951 CB GLN A 62 4.355 6.500 -0.207 1.00 1.38 C ATOM 952 CG GLN A 62 3.060 7.033 0.384 1.00 1.35 C ATOM 953 CD GLN A 62 2.690 6.353 1.684 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.025 7.087 2.557 1.00 2.14 O flip ATOM 955 NE2 GLN A 62 3.001 5.184 1.904 1.00 1.66 N flip ATOM 0 H GLN A 62 4.577 9.231 -0.042 1.00 1.47 H new ATOM 0 HA GLN A 62 6.025 7.050 -1.437 1.00 1.44 H new ATOM 0 HB2 GLN A 62 4.136 5.603 -0.786 1.00 1.38 H new ATOM 0 HB3 GLN A 62 5.017 6.201 0.606 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.157 8.105 0.554 1.00 1.35 H new ATOM 0 HG3 GLN A 62 2.253 6.896 -0.336 1.00 1.35 H new ATOM 0 HE21 GLN A 62 3.515 4.652 1.202 1.00 1.66 H new ATOM 0 HE22 GLN A 62 2.745 4.746 2.789 1.00 1.66 H new ATOM 964 N LYS A 63 4.692 7.351 -3.487 1.00 1.42 N ATOM 965 CA LYS A 63 3.986 7.604 -4.734 1.00 1.38 C ATOM 966 C LYS A 63 3.019 6.467 -5.046 1.00 1.27 C ATOM 967 O LYS A 63 3.345 5.554 -5.802 1.00 1.31 O ATOM 968 CB LYS A 63 4.986 7.774 -5.876 1.00 1.51 C ATOM 969 CG LYS A 63 4.494 8.683 -6.982 1.00 1.64 C ATOM 970 CD LYS A 63 5.583 8.936 -8.005 1.00 1.73 C ATOM 971 CE LYS A 63 5.144 9.956 -9.039 1.00 1.94 C ATOM 972 NZ LYS A 63 4.839 11.277 -8.429 1.00 2.29 N ATOM 0 H LYS A 63 5.532 6.781 -3.585 1.00 1.42 H new ATOM 0 HA LYS A 63 3.411 8.523 -4.626 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.917 8.174 -5.476 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.214 6.795 -6.297 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.630 8.232 -7.470 1.00 1.64 H new ATOM 0 HG3 LYS A 63 4.162 9.631 -6.558 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.482 9.290 -7.501 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.843 8.001 -8.501 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.929 10.075 -9.786 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.261 9.586 -9.560 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.859 12.012 -9.164 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 3.895 11.249 -7.994 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.549 11.496 -7.701 1.00 2.29 H new ATOM 986 N LEU A 64 1.840 6.522 -4.440 1.00 1.16 N ATOM 987 CA LEU A 64 0.812 5.502 -4.646 1.00 1.06 C ATOM 988 C LEU A 64 0.113 5.706 -5.990 1.00 1.05 C ATOM 989 O LEU A 64 -0.521 6.738 -6.221 1.00 1.06 O ATOM 990 CB LEU A 64 -0.209 5.535 -3.492 1.00 0.98 C ATOM 991 CG LEU A 64 -1.313 4.457 -3.509 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.526 4.927 -4.299 1.00 0.99 C ATOM 993 CD2 LEU A 64 -0.795 3.141 -4.071 1.00 1.06 C ATOM 0 H LEU A 64 1.568 7.266 -3.797 1.00 1.16 H new ATOM 0 HA LEU A 64 1.291 4.523 -4.658 1.00 1.06 H new ATOM 0 HB2 LEU A 64 0.337 5.447 -2.553 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -0.689 6.513 -3.491 1.00 0.98 H new ATOM 0 HG LEU A 64 -1.618 4.289 -2.476 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.288 4.147 -4.294 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -2.929 5.831 -3.843 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.231 5.139 -5.327 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.598 2.403 -4.069 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.445 3.294 -5.092 1.00 1.06 H new ATOM 0 HD23 LEU A 64 0.029 2.782 -3.455 1.00 1.06 H new ATOM 1005 N ILE A 65 0.238 4.714 -6.867 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.382 4.763 -8.187 1.00 1.08 C ATOM 1007 C ILE A 65 -1.073 3.438 -8.499 1.00 1.05 C ATOM 1008 O ILE A 65 -0.428 2.475 -8.917 1.00 1.15 O ATOM 1009 CB ILE A 65 0.650 5.059 -9.302 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.466 6.309 -8.965 1.00 1.27 C ATOM 1011 CG2 ILE A 65 -0.052 5.238 -10.644 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.752 6.421 -9.753 1.00 1.42 C ATOM 0 H ILE A 65 0.767 3.861 -6.685 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.111 5.573 -8.164 1.00 1.08 H new ATOM 0 HB ILE A 65 1.329 4.209 -9.371 1.00 1.22 H new ATOM 0 HG12 ILE A 65 0.856 7.193 -9.153 1.00 1.27 H new ATOM 0 HG13 ILE A 65 1.701 6.304 -7.901 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.688 5.445 -11.417 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.594 4.326 -10.896 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.753 6.070 -10.580 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.279 7.330 -9.463 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.382 5.555 -9.547 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.524 6.458 -10.818 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.382 3.391 -8.272 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.173 2.194 -8.536 1.00 0.91 C ATOM 1026 C PHE A 66 -4.659 2.505 -8.387 1.00 0.84 C ATOM 1027 O PHE A 66 -5.028 3.642 -8.083 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.784 1.045 -7.603 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.451 -0.234 -8.333 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -3.130 -0.596 -9.490 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -1.458 -1.072 -7.861 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.823 -1.770 -10.152 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -1.146 -2.247 -8.519 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.828 -2.595 -9.666 1.00 1.16 C ATOM 0 H PHE A 66 -2.921 4.175 -7.903 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.968 1.879 -9.559 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.924 1.348 -7.005 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.604 0.856 -6.910 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.907 0.047 -9.877 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.918 -0.805 -6.965 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -3.361 -2.042 -11.048 1.00 1.32 H new ATOM 0 HE2 PHE A 66 -0.369 -2.892 -8.135 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.584 -3.511 -10.183 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.505 1.493 -8.617 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.964 1.637 -8.532 1.00 0.89 C ATOM 1046 C LYS A 67 -7.467 2.623 -9.586 1.00 0.84 C ATOM 1047 O LYS A 67 -8.609 3.082 -9.533 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.401 2.099 -7.131 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.110 1.098 -6.020 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.883 1.445 -4.754 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.589 0.471 -3.617 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.726 0.356 -2.656 1.00 0.54 N ATOM 0 H LYS A 67 -5.198 0.553 -8.867 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.404 0.658 -8.721 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.899 3.038 -6.898 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.471 2.305 -7.147 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.379 0.095 -6.351 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.041 1.088 -5.806 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.627 2.457 -4.439 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.952 1.439 -4.969 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.368 -0.512 -4.033 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.697 0.799 -3.083 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -8.694 -0.573 -2.189 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.652 1.106 -1.939 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.625 0.455 -3.169 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.607 2.929 -10.552 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.955 3.872 -11.596 1.00 0.93 C ATOM 1068 C GLY A 68 -6.857 5.307 -11.114 1.00 0.94 C ATOM 1069 O GLY A 68 -7.361 6.224 -11.762 1.00 1.05 O ATOM 0 H GLY A 68 -5.669 2.537 -10.629 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.293 3.729 -12.450 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.969 3.673 -11.942 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.212 5.496 -9.965 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.056 6.817 -9.373 1.00 0.93 C ATOM 1075 C LYS A 69 -4.628 7.013 -8.865 1.00 0.96 C ATOM 1076 O LYS A 69 -3.735 6.224 -9.170 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.034 6.994 -8.203 1.00 0.92 C ATOM 1078 CG LYS A 69 -8.237 6.063 -8.252 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.705 5.670 -6.861 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.541 6.766 -6.220 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.873 6.893 -6.870 1.00 1.50 N ATOM 0 H LYS A 69 -5.787 4.743 -9.424 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.269 7.559 -10.142 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.499 6.829 -7.268 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.387 8.025 -8.191 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -9.053 6.551 -8.785 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.980 5.166 -8.816 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -9.291 4.752 -6.919 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.840 5.457 -6.233 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -9.673 6.550 -5.160 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.010 7.716 -6.289 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.541 7.337 -6.208 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.788 7.481 -7.724 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -11.222 5.949 -7.133 1.00 1.50 H new ATOM 1095 N SER A 70 -4.429 8.070 -8.089 1.00 0.95 N ATOM 1096 CA SER A 70 -3.132 8.386 -7.517 1.00 1.00 C ATOM 1097 C SER A 70 -3.318 8.920 -6.099 1.00 0.93 C ATOM 1098 O SER A 70 -4.429 9.302 -5.724 1.00 0.89 O ATOM 1099 CB SER A 70 -2.409 9.412 -8.391 1.00 1.17 C ATOM 1100 OG SER A 70 -2.304 8.948 -9.724 1.00 1.46 O ATOM 0 H SER A 70 -5.164 8.731 -7.840 1.00 0.95 H new ATOM 0 HA SER A 70 -2.523 7.483 -7.476 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.949 10.359 -8.372 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.415 9.604 -7.988 1.00 1.17 H new ATOM 0 HG SER A 70 -1.840 9.618 -10.268 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.244 8.921 -5.320 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.282 9.395 -3.937 1.00 0.99 C ATOM 1108 C LEU A 71 -2.829 10.821 -3.833 1.00 1.00 C ATOM 1109 O LEU A 71 -2.429 11.712 -4.587 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.886 9.335 -3.301 1.00 1.11 C ATOM 1111 CG LEU A 71 0.115 10.378 -3.810 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.033 10.828 -2.689 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.924 9.825 -4.972 1.00 1.28 C ATOM 0 H LEU A 71 -1.326 8.596 -5.624 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.957 8.732 -3.396 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.991 9.454 -2.223 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.469 8.343 -3.473 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.445 11.243 -4.165 1.00 1.24 H new ATOM 0 HD11 LEU A 71 1.736 11.568 -3.070 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.440 11.269 -1.888 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.583 9.970 -2.303 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.628 10.582 -5.318 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.472 8.941 -4.646 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.252 9.555 -5.787 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.750 11.011 -2.894 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.366 12.306 -2.633 1.00 0.99 C ATOM 1127 C LYS A 72 -5.394 12.148 -1.521 1.00 0.95 C ATOM 1128 O LYS A 72 -5.826 11.031 -1.231 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.042 12.870 -3.892 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.276 14.373 -3.831 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.901 14.902 -5.112 1.00 1.29 C ATOM 1132 CE LYS A 72 -4.853 15.513 -6.033 1.00 1.62 C ATOM 1133 NZ LYS A 72 -5.434 15.927 -7.338 1.00 1.90 N ATOM 0 H LYS A 72 -4.092 10.265 -2.289 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.588 13.008 -2.332 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.424 12.641 -4.760 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -5.998 12.367 -4.039 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -5.926 14.605 -2.987 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.328 14.881 -3.653 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -6.414 14.091 -5.630 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.654 15.651 -4.868 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -4.402 16.378 -5.546 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -4.055 14.791 -6.204 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -4.914 16.750 -7.704 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -5.360 15.142 -8.016 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -6.435 16.179 -7.208 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.764 13.252 -0.894 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.752 13.231 0.175 1.00 1.01 C ATOM 1149 C GLU A 73 -8.130 12.942 -0.409 1.00 0.98 C ATOM 1150 O GLU A 73 -8.983 12.335 0.233 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.769 14.577 0.913 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.405 15.028 1.424 1.00 1.33 C ATOM 1153 CD GLU A 73 -4.541 15.660 0.344 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.036 15.855 -0.789 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -3.365 15.962 0.621 1.00 1.98 O ATOM 0 H GLU A 73 -5.394 14.178 -1.107 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.488 12.448 0.886 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.164 15.341 0.243 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.455 14.507 1.757 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.546 15.744 2.233 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.880 14.171 1.845 1.00 1.33 H new ATOM 1162 N MET A 74 -8.326 13.394 -1.638 1.00 1.01 N ATOM 1163 CA MET A 74 -9.575 13.200 -2.356 1.00 1.03 C ATOM 1164 C MET A 74 -9.338 13.382 -3.849 1.00 1.05 C ATOM 1165 O MET A 74 -9.177 14.504 -4.333 1.00 1.16 O ATOM 1166 CB MET A 74 -10.649 14.173 -1.852 1.00 1.15 C ATOM 1167 CG MET A 74 -10.174 15.614 -1.729 1.00 1.26 C ATOM 1168 SD MET A 74 -11.473 16.722 -1.153 1.00 1.65 S ATOM 1169 CE MET A 74 -10.680 18.307 -1.394 1.00 1.77 C ATOM 0 H MET A 74 -7.621 13.907 -2.167 1.00 1.01 H new ATOM 0 HA MET A 74 -9.935 12.187 -2.175 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.501 14.139 -2.530 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.003 13.834 -0.878 1.00 1.15 H new ATOM 0 HG2 MET A 74 -9.331 15.658 -1.039 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.811 15.957 -2.698 1.00 1.26 H new ATOM 0 HE1 MET A 74 -11.356 19.103 -1.083 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.768 18.352 -0.798 1.00 1.77 H new ATOM 0 HE3 MET A 74 -10.431 18.433 -2.448 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.286 12.279 -4.579 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.042 12.343 -6.011 1.00 1.14 C ATOM 1181 C GLU A 75 -10.308 12.036 -6.818 1.00 1.13 C ATOM 1182 O GLU A 75 -11.138 12.918 -7.035 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.900 11.398 -6.403 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.361 11.636 -7.809 1.00 1.28 C ATOM 1185 CD GLU A 75 -6.822 13.042 -8.002 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -7.615 14.008 -7.929 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -5.606 13.193 -8.228 1.00 1.89 O ATOM 0 H GLU A 75 -9.408 11.337 -4.208 1.00 1.07 H new ATOM 0 HA GLU A 75 -8.746 13.364 -6.251 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.085 11.511 -5.688 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.250 10.369 -6.327 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.569 10.916 -8.016 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.155 11.453 -8.533 1.00 1.28 H new ATOM 1194 N THR A 76 -10.456 10.794 -7.257 1.00 1.06 N ATOM 1195 CA THR A 76 -11.609 10.399 -8.051 1.00 1.09 C ATOM 1196 C THR A 76 -12.676 9.729 -7.184 1.00 1.04 C ATOM 1197 O THR A 76 -12.370 9.265 -6.083 1.00 0.98 O ATOM 1198 CB THR A 76 -11.183 9.449 -9.186 1.00 1.13 C ATOM 1199 OG1 THR A 76 -10.028 8.698 -8.785 1.00 1.07 O ATOM 1200 CG2 THR A 76 -10.872 10.227 -10.455 1.00 1.29 C ATOM 0 H THR A 76 -9.791 10.042 -7.076 1.00 1.06 H new ATOM 0 HA THR A 76 -12.038 11.303 -8.485 1.00 1.09 H new ATOM 0 HB THR A 76 -12.009 8.767 -9.391 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.411 8.618 -9.542 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.573 9.535 -11.242 1.00 1.29 H new ATOM 0 HG22 THR A 76 -11.759 10.776 -10.772 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.060 10.929 -10.262 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.933 9.687 -7.683 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.095 9.096 -6.998 1.00 1.14 C ATOM 1210 C PRO A 77 -14.794 7.863 -6.135 1.00 1.01 C ATOM 1211 O PRO A 77 -13.890 7.069 -6.432 1.00 0.94 O ATOM 1212 CB PRO A 77 -15.991 8.714 -8.170 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.757 9.784 -9.180 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.335 10.255 -8.990 1.00 1.24 C ATOM 0 HA PRO A 77 -15.521 9.795 -6.278 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -15.732 7.732 -8.565 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.039 8.671 -7.872 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.907 9.403 -10.190 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.459 10.606 -9.043 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.688 9.902 -9.793 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.273 11.343 -8.987 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.600 7.705 -5.087 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.469 6.602 -4.142 1.00 0.97 C ATOM 1224 C LEU A 78 -15.784 5.273 -4.817 1.00 0.95 C ATOM 1225 O LEU A 78 -15.225 4.236 -4.464 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.404 6.811 -2.943 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.076 8.011 -2.048 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.658 9.295 -2.622 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -16.598 7.783 -0.640 1.00 1.22 C ATOM 0 H LEU A 78 -16.366 8.343 -4.870 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.438 6.579 -3.789 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.422 6.926 -3.315 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.388 5.909 -2.331 1.00 1.07 H new ATOM 0 HG LEU A 78 -14.992 8.114 -2.009 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.411 10.131 -1.968 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.239 9.473 -3.612 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.741 9.202 -2.698 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -16.356 8.645 -0.018 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -17.679 7.649 -0.670 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -16.134 6.891 -0.220 1.00 1.22 H new ATOM 1241 N SER A 79 -16.671 5.315 -5.804 1.00 1.07 N ATOM 1242 CA SER A 79 -17.053 4.120 -6.539 1.00 1.12 C ATOM 1243 C SER A 79 -15.877 3.602 -7.366 1.00 1.00 C ATOM 1244 O SER A 79 -15.862 2.456 -7.813 1.00 1.04 O ATOM 1245 CB SER A 79 -18.241 4.433 -7.444 1.00 1.31 C ATOM 1246 OG SER A 79 -18.150 5.756 -7.949 1.00 1.68 O ATOM 0 H SER A 79 -17.139 6.167 -6.113 1.00 1.07 H new ATOM 0 HA SER A 79 -17.339 3.344 -5.829 1.00 1.12 H new ATOM 0 HB2 SER A 79 -18.272 3.724 -8.271 1.00 1.31 H new ATOM 0 HB3 SER A 79 -19.170 4.314 -6.887 1.00 1.31 H new ATOM 0 HG SER A 79 -18.919 5.939 -8.528 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.885 4.462 -7.547 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.694 4.122 -8.300 1.00 0.88 C ATOM 1254 C ALA A 80 -12.525 3.902 -7.351 1.00 0.74 C ATOM 1255 O ALA A 80 -11.381 4.220 -7.668 1.00 0.81 O ATOM 1256 CB ALA A 80 -13.374 5.222 -9.302 1.00 1.02 C ATOM 0 H ALA A 80 -14.886 5.412 -7.176 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.872 3.198 -8.851 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -12.477 4.955 -9.861 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -14.210 5.341 -9.991 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -13.205 6.159 -8.772 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.826 3.388 -6.168 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.805 3.119 -5.165 1.00 0.55 C ATOM 1264 C LEU A 81 -11.480 1.631 -5.128 1.00 0.52 C ATOM 1265 O LEU A 81 -10.925 1.126 -4.149 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.283 3.574 -3.783 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.423 4.637 -3.087 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -9.942 4.312 -3.199 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.716 6.018 -3.650 1.00 0.75 C ATOM 0 H LEU A 81 -13.774 3.148 -5.878 1.00 0.66 H new ATOM 0 HA LEU A 81 -10.906 3.675 -5.432 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.296 3.963 -3.882 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.339 2.700 -3.134 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.683 4.635 -2.029 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.361 5.085 -2.696 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.745 3.347 -2.732 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.657 4.271 -4.250 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.096 6.757 -3.143 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.495 6.030 -4.717 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.768 6.259 -3.494 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.811 0.934 -6.203 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.562 -0.489 -6.261 1.00 0.62 C ATOM 1283 C GLY A 82 -12.712 -1.267 -5.662 1.00 0.63 C ATOM 1284 O GLY A 82 -12.626 -1.734 -4.527 1.00 0.64 O ATOM 0 H GLY A 82 -12.248 1.329 -7.036 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.413 -0.793 -7.297 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.642 -0.723 -5.725 1.00 0.62 H new ATOM 1288 N MET A 83 -13.793 -1.395 -6.425 1.00 0.84 N ATOM 1289 CA MET A 83 -14.983 -2.107 -5.967 1.00 1.01 C ATOM 1290 C MET A 83 -14.735 -3.612 -5.893 1.00 0.98 C ATOM 1291 O MET A 83 -15.130 -4.375 -6.776 1.00 1.26 O ATOM 1292 CB MET A 83 -16.181 -1.804 -6.877 1.00 1.34 C ATOM 1293 CG MET A 83 -15.880 -1.921 -8.365 1.00 1.54 C ATOM 1294 SD MET A 83 -17.369 -1.895 -9.382 1.00 2.03 S ATOM 1295 CE MET A 83 -16.655 -1.813 -11.025 1.00 2.27 C ATOM 0 H MET A 83 -13.870 -1.013 -7.368 1.00 0.84 H new ATOM 0 HA MET A 83 -15.213 -1.755 -4.962 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.994 -2.486 -6.628 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.536 -0.795 -6.668 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.226 -1.102 -8.665 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.335 -2.847 -8.549 1.00 1.54 H new ATOM 0 HE1 MET A 83 -17.453 -1.790 -11.768 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.050 -0.911 -11.114 1.00 2.27 H new ATOM 0 HE3 MET A 83 -16.028 -2.688 -11.193 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.050 -4.021 -4.839 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.729 -5.417 -4.601 1.00 0.89 C ATOM 1307 C GLN A 84 -13.105 -5.554 -3.227 1.00 0.84 C ATOM 1308 O GLN A 84 -13.098 -4.602 -2.449 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.780 -5.964 -5.673 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.538 -5.114 -5.895 1.00 0.99 C ATOM 1311 CD GLN A 84 -11.332 -4.743 -7.353 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -10.200 -4.636 -7.825 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -12.422 -4.531 -8.075 1.00 1.38 N ATOM 0 H GLN A 84 -13.699 -3.389 -4.120 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.648 -6.001 -4.650 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.472 -6.971 -5.391 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.323 -6.048 -6.615 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.615 -4.204 -5.301 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.663 -5.656 -5.536 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -13.343 -4.629 -7.649 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -12.340 -4.269 -9.057 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.573 -6.727 -2.928 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.959 -6.955 -1.635 1.00 0.78 C ATOM 1324 C ASN A 85 -10.561 -6.346 -1.552 1.00 0.72 C ATOM 1325 O ASN A 85 -9.558 -7.024 -1.763 1.00 0.98 O ATOM 1326 CB ASN A 85 -11.918 -8.449 -1.297 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.394 -9.314 -2.428 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -12.135 -9.675 -3.341 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.119 -9.662 -2.368 1.00 1.09 N ATOM 0 H ASN A 85 -12.554 -7.529 -3.558 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.581 -6.452 -0.895 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.291 -8.597 -0.418 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -12.922 -8.781 -1.032 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.716 -10.251 -3.097 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.539 -9.341 -1.593 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.508 -5.049 -1.287 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.238 -4.366 -1.132 1.00 0.57 C ATOM 1338 C GLY A 86 -8.638 -3.847 -2.420 1.00 0.51 C ATOM 1339 O GLY A 86 -8.336 -2.654 -2.517 1.00 0.49 O ATOM 0 H GLY A 86 -11.328 -4.453 -1.176 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.372 -3.529 -0.447 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.528 -5.049 -0.666 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.466 -4.748 -3.388 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.864 -4.431 -4.685 1.00 0.62 C ATOM 1345 C CYS A 87 -6.337 -4.458 -4.550 1.00 0.65 C ATOM 1346 O CYS A 87 -5.798 -5.168 -3.694 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.358 -3.080 -5.235 1.00 0.62 C ATOM 1348 SG CYS A 87 -8.031 -2.810 -6.994 1.00 0.79 S ATOM 0 H CYS A 87 -8.742 -5.725 -3.294 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.174 -5.185 -5.408 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.432 -3.005 -5.064 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.888 -2.278 -4.665 1.00 0.62 H new ATOM 0 HG CYS A 87 -8.834 -3.546 -7.703 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.638 -3.703 -5.386 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.179 -3.670 -5.348 1.00 0.77 C ATOM 1356 C ARG A 88 -3.674 -2.234 -5.257 1.00 0.75 C ATOM 1357 O ARG A 88 -4.281 -1.327 -5.824 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.594 -4.333 -6.602 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.785 -5.843 -6.667 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.145 -6.225 -7.236 1.00 1.11 C ATOM 1361 NE ARG A 88 -5.271 -5.880 -8.653 1.00 1.27 N ATOM 1362 CZ ARG A 88 -6.437 -5.752 -9.293 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -7.582 -5.951 -8.647 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -6.459 -5.433 -10.581 1.00 1.74 N ATOM 0 H ARG A 88 -6.055 -3.105 -6.099 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.855 -4.219 -4.464 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -4.053 -3.883 -7.483 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.528 -4.112 -6.650 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.999 -6.281 -7.282 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.679 -6.265 -5.667 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.301 -7.296 -7.110 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.928 -5.720 -6.670 1.00 1.11 H new ATOM 0 HE ARG A 88 -4.415 -5.728 -9.186 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.573 -6.203 -7.659 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -8.470 -5.852 -9.140 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -5.585 -5.285 -11.085 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -7.350 -5.336 -11.067 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.574 -2.034 -4.535 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.969 -0.711 -4.393 1.00 0.79 C ATOM 1380 C VAL A 89 -0.448 -0.819 -4.388 1.00 0.92 C ATOM 1381 O VAL A 89 0.129 -1.616 -3.647 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.430 0.034 -3.114 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.822 0.614 -3.296 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.384 -0.876 -1.899 1.00 0.69 C ATOM 0 H VAL A 89 -2.081 -2.775 -4.037 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.305 -0.129 -5.251 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.736 0.857 -2.943 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.123 1.132 -2.385 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.817 1.318 -4.128 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.527 -0.191 -3.506 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.713 -0.324 -1.018 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.042 -1.730 -2.059 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.364 -1.228 -1.746 1.00 0.69 H new ATOM 1394 N MET A 90 0.197 -0.031 -5.234 1.00 0.97 N ATOM 1395 CA MET A 90 1.650 -0.034 -5.324 1.00 1.10 C ATOM 1396 C MET A 90 2.176 1.390 -5.234 1.00 1.14 C ATOM 1397 O MET A 90 1.634 2.303 -5.864 1.00 1.13 O ATOM 1398 CB MET A 90 2.119 -0.697 -6.627 1.00 1.21 C ATOM 1399 CG MET A 90 1.846 0.125 -7.878 1.00 1.49 C ATOM 1400 SD MET A 90 2.393 -0.693 -9.389 1.00 1.66 S ATOM 1401 CE MET A 90 2.120 0.610 -10.589 1.00 2.09 C ATOM 0 H MET A 90 -0.263 0.620 -5.870 1.00 0.97 H new ATOM 0 HA MET A 90 2.047 -0.614 -4.491 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.190 -0.889 -6.559 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.627 -1.664 -6.727 1.00 1.21 H new ATOM 0 HG2 MET A 90 0.777 0.328 -7.947 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.348 1.088 -7.790 1.00 1.49 H new ATOM 0 HE1 MET A 90 2.411 0.260 -11.579 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.065 0.883 -10.596 1.00 2.09 H new ATOM 0 HE3 MET A 90 2.718 1.481 -10.322 1.00 2.09 H new ATOM 1411 N LEU A 91 3.217 1.586 -4.445 1.00 1.21 N ATOM 1412 CA LEU A 91 3.790 2.912 -4.286 1.00 1.27 C ATOM 1413 C LEU A 91 5.259 2.928 -4.680 1.00 1.41 C ATOM 1414 O LEU A 91 5.995 1.964 -4.450 1.00 1.47 O ATOM 1415 CB LEU A 91 3.570 3.463 -2.850 1.00 1.22 C ATOM 1416 CG LEU A 91 4.425 2.893 -1.688 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.492 1.374 -1.714 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.824 3.498 -1.676 1.00 1.42 C ATOM 0 H LEU A 91 3.680 0.852 -3.909 1.00 1.21 H new ATOM 0 HA LEU A 91 3.264 3.582 -4.966 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.734 4.540 -2.882 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.522 3.308 -2.595 1.00 1.22 H new ATOM 0 HG LEU A 91 3.924 3.179 -0.763 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.101 1.022 -0.881 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.486 0.964 -1.626 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.937 1.045 -2.653 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.396 3.076 -0.849 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.326 3.272 -2.617 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.752 4.579 -1.553 1.00 1.42 H new ATOM 1430 N ILE A 92 5.667 4.019 -5.303 1.00 1.50 N ATOM 1431 CA ILE A 92 7.043 4.195 -5.722 1.00 1.65 C ATOM 1432 C ILE A 92 7.773 5.071 -4.712 1.00 1.71 C ATOM 1433 O ILE A 92 7.159 5.929 -4.072 1.00 1.89 O ATOM 1434 CB ILE A 92 7.139 4.830 -7.125 1.00 1.74 C ATOM 1435 CG1 ILE A 92 6.020 4.302 -8.030 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.503 4.545 -7.739 1.00 1.96 C ATOM 1437 CD1 ILE A 92 6.037 4.889 -9.423 1.00 1.79 C ATOM 0 H ILE A 92 5.056 4.803 -5.531 1.00 1.50 H new ATOM 0 HA ILE A 92 7.508 3.210 -5.771 1.00 1.65 H new ATOM 0 HB ILE A 92 7.020 5.909 -7.029 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.104 3.218 -8.101 1.00 1.66 H new ATOM 0 HG13 ILE A 92 5.057 4.518 -7.566 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.558 4.998 -8.729 1.00 1.96 H new ATOM 0 HG22 ILE A 92 9.283 4.965 -7.104 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.645 3.468 -7.825 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.217 4.469 -10.005 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.922 5.971 -9.363 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.984 4.651 -9.907 1.00 1.79 H new ATOM 1449 N GLY A 93 9.065 4.846 -4.556 1.00 1.73 N ATOM 1450 CA GLY A 93 9.840 5.618 -3.613 1.00 1.80 C ATOM 1451 C GLY A 93 10.338 4.758 -2.477 1.00 1.84 C ATOM 1452 O GLY A 93 10.691 3.596 -2.683 1.00 1.89 O ATOM 0 H GLY A 93 9.593 4.139 -5.068 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.687 6.075 -4.124 1.00 1.80 H new ATOM 0 HA3 GLY A 93 9.230 6.430 -3.217 1.00 1.80 H new ATOM 1456 N GLU A 94 10.355 5.309 -1.277 1.00 1.88 N ATOM 1457 CA GLU A 94 10.810 4.568 -0.112 1.00 1.97 C ATOM 1458 C GLU A 94 9.625 4.104 0.726 1.00 1.80 C ATOM 1459 O GLU A 94 8.485 4.115 0.262 1.00 1.84 O ATOM 1460 CB GLU A 94 11.759 5.420 0.730 1.00 2.22 C ATOM 1461 CG GLU A 94 13.132 4.790 0.912 1.00 2.66 C ATOM 1462 CD GLU A 94 14.134 5.754 1.507 1.00 2.63 C ATOM 1463 OE1 GLU A 94 14.659 6.608 0.762 1.00 3.03 O ATOM 1464 OE2 GLU A 94 14.396 5.671 2.720 1.00 2.85 O ATOM 0 H GLU A 94 10.060 6.266 -1.082 1.00 1.88 H new ATOM 0 HA GLU A 94 11.352 3.688 -0.458 1.00 1.97 H new ATOM 0 HB2 GLU A 94 11.874 6.396 0.259 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.312 5.589 1.710 1.00 2.22 H new ATOM 0 HG2 GLU A 94 13.045 3.916 1.558 1.00 2.66 H new ATOM 0 HG3 GLU A 94 13.498 4.439 -0.053 1.00 2.66 H new ATOM 1471 N LYS A 95 9.899 3.682 1.952 1.00 1.82 N ATOM 1472 CA LYS A 95 8.855 3.203 2.845 1.00 1.72 C ATOM 1473 C LYS A 95 9.297 3.335 4.298 1.00 1.77 C ATOM 1474 O LYS A 95 10.060 2.506 4.796 1.00 1.96 O ATOM 1475 CB LYS A 95 8.532 1.742 2.528 1.00 1.81 C ATOM 1476 CG LYS A 95 7.157 1.297 2.994 1.00 1.79 C ATOM 1477 CD LYS A 95 6.265 0.936 1.817 1.00 2.06 C ATOM 1478 CE LYS A 95 5.064 0.112 2.253 1.00 2.15 C ATOM 1479 NZ LYS A 95 5.452 -0.969 3.200 1.00 2.38 N ATOM 0 H LYS A 95 10.837 3.662 2.351 1.00 1.82 H new ATOM 0 HA LYS A 95 7.961 3.809 2.697 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.606 1.590 1.451 1.00 1.81 H new ATOM 0 HB3 LYS A 95 9.285 1.105 2.992 1.00 1.81 H new ATOM 0 HG2 LYS A 95 7.256 0.436 3.656 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.692 2.094 3.575 1.00 1.79 H new ATOM 0 HD2 LYS A 95 5.922 1.847 1.327 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.842 0.376 1.081 1.00 2.06 H new ATOM 0 HE2 LYS A 95 4.328 0.763 2.726 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.586 -0.326 1.377 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.784 -1.762 3.114 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 6.412 -1.299 2.975 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 5.431 -0.602 4.173 1.00 2.38 H new ATOM 1493 N SER A 96 8.842 4.387 4.958 1.00 1.80 N ATOM 1494 CA SER A 96 9.183 4.633 6.351 1.00 1.92 C ATOM 1495 C SER A 96 8.518 3.611 7.268 1.00 1.83 C ATOM 1496 O SER A 96 7.495 3.016 6.917 1.00 1.95 O ATOM 1497 CB SER A 96 8.753 6.044 6.742 1.00 2.15 C ATOM 1498 OG SER A 96 8.823 6.918 5.625 1.00 2.38 O ATOM 0 H SER A 96 8.229 5.091 4.547 1.00 1.80 H new ATOM 0 HA SER A 96 10.263 4.536 6.464 1.00 1.92 H new ATOM 0 HB2 SER A 96 7.735 6.024 7.131 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.393 6.416 7.542 1.00 2.15 H new ATOM 0 HG SER A 96 8.542 7.817 5.895 1.00 2.38 H new ATOM 1504 N ASN A 97 9.110 3.411 8.434 1.00 1.89 N ATOM 1505 CA ASN A 97 8.589 2.470 9.415 1.00 1.93 C ATOM 1506 C ASN A 97 9.181 2.780 10.780 1.00 2.29 C ATOM 1507 O ASN A 97 10.370 3.163 10.831 1.00 2.53 O ATOM 1508 CB ASN A 97 8.918 1.025 9.024 1.00 1.89 C ATOM 1509 CG ASN A 97 8.154 0.005 9.855 1.00 2.00 C ATOM 1510 OD1 ASN A 97 6.940 0.349 10.256 1.00 2.24 O flip ATOM 1511 ND2 ASN A 97 8.649 -1.093 10.126 1.00 1.96 N flip ATOM 1512 OXT ASN A 97 8.465 2.650 11.793 1.00 2.61 O ATOM 0 H ASN A 97 9.960 3.892 8.727 1.00 1.89 H new ATOM 0 HA ASN A 97 7.505 2.574 9.450 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.686 0.876 7.969 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.988 0.855 9.142 1.00 1.89 H new ATOM 0 HD21 ASN A 97 9.588 -1.324 9.800 1.00 1.96 H new ATOM 0 HD22 ASN A 97 8.119 -1.769 10.676 1.00 1.96 H new ATOM 1609 N ARG B 189 16.951 0.678 3.705 1.00 2.02 N ATOM 1610 CA ARG B 189 16.579 -0.133 2.543 1.00 1.77 C ATOM 1611 C ARG B 189 16.637 0.684 1.254 1.00 1.33 C ATOM 1612 O ARG B 189 15.700 0.680 0.453 1.00 1.67 O ATOM 1613 CB ARG B 189 15.188 -0.755 2.728 1.00 2.37 C ATOM 1614 CG ARG B 189 15.101 -1.693 3.922 1.00 3.12 C ATOM 1615 CD ARG B 189 14.082 -1.210 4.942 1.00 3.82 C ATOM 1616 NE ARG B 189 12.710 -1.547 4.554 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.698 -0.683 4.552 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.899 0.571 4.931 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.481 -1.072 4.184 1.00 5.48 N ATOM 0 HA ARG B 189 17.306 -0.941 2.461 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.454 0.042 2.847 1.00 2.37 H new ATOM 0 HB3 ARG B 189 14.920 -1.303 1.825 1.00 2.37 H new ATOM 0 HG2 ARG B 189 14.830 -2.692 3.581 1.00 3.12 H new ATOM 0 HG3 ARG B 189 16.080 -1.772 4.395 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.303 -1.654 5.913 1.00 3.82 H new ATOM 0 HD3 ARG B 189 14.170 -0.130 5.058 1.00 3.82 H new ATOM 0 HE ARG B 189 12.518 -2.507 4.267 1.00 4.33 H new ATOM 0 HH11 ARG B 189 12.828 0.873 5.224 1.00 4.91 H new ATOM 0 HH12 ARG B 189 11.124 1.234 4.930 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.318 -2.038 3.901 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.710 -0.404 4.185 1.00 5.48 H new ATOM 1633 N GLY B 190 17.747 1.387 1.061 1.00 1.17 N ATOM 1634 CA GLY B 190 17.925 2.186 -0.134 1.00 1.54 C ATOM 1635 C GLY B 190 18.720 1.440 -1.185 1.00 1.70 C ATOM 1636 O GLY B 190 19.882 1.762 -1.446 1.00 1.97 O ATOM 0 H GLY B 190 18.529 1.417 1.715 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.951 2.459 -0.539 1.00 1.54 H new ATOM 0 HA3 GLY B 190 18.437 3.114 0.120 1.00 1.54 H new ATOM 1640 N GLY B 191 18.104 0.416 -1.765 1.00 1.91 N ATOM 1641 CA GLY B 191 18.771 -0.385 -2.775 1.00 2.36 C ATOM 1642 C GLY B 191 19.556 -1.522 -2.151 1.00 2.17 C ATOM 1643 O GLY B 191 19.746 -2.575 -2.762 1.00 2.71 O ATOM 0 H GLY B 191 17.150 0.125 -1.552 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.032 -0.788 -3.468 1.00 2.36 H new ATOM 0 HA3 GLY B 191 19.443 0.246 -3.357 1.00 2.36 H new ATOM 1647 N TYR B 192 19.994 -1.298 -0.921 1.00 1.71 N ATOM 1648 CA TYR B 192 20.756 -2.273 -0.165 1.00 1.86 C ATOM 1649 C TYR B 192 20.320 -2.208 1.297 1.00 1.87 C ATOM 1650 O TYR B 192 19.363 -1.504 1.617 1.00 2.21 O ATOM 1651 CB TYR B 192 22.261 -1.992 -0.303 1.00 1.91 C ATOM 1652 CG TYR B 192 23.155 -3.123 0.174 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.952 -4.427 -0.260 1.00 2.95 C ATOM 1654 CD2 TYR B 192 24.194 -2.885 1.068 1.00 2.80 C ATOM 1655 CE1 TYR B 192 23.759 -5.460 0.180 1.00 3.62 C ATOM 1656 CE2 TYR B 192 25.005 -3.913 1.509 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.783 -5.197 1.065 1.00 3.77 C ATOM 1658 OH TYR B 192 25.586 -6.225 1.508 1.00 4.48 O ATOM 0 H TYR B 192 19.828 -0.426 -0.418 1.00 1.71 H new ATOM 0 HA TYR B 192 20.568 -3.275 -0.551 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.485 -1.784 -1.349 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.503 -1.091 0.260 1.00 1.91 H new ATOM 0 HD1 TYR B 192 22.150 -4.637 -0.953 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.370 -1.880 1.423 1.00 2.80 H new ATOM 0 HE1 TYR B 192 23.588 -6.468 -0.168 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.810 -3.710 2.200 1.00 3.41 H new ATOM 0 HH TYR B 192 26.260 -5.871 2.126 1.00 4.48 H new ATOM 1668 N ASP B 193 21.023 -2.934 2.164 1.00 2.08 N ATOM 1669 CA ASP B 193 20.725 -2.980 3.598 1.00 2.57 C ATOM 1670 C ASP B 193 20.408 -1.593 4.159 1.00 2.39 C ATOM 1671 O ASP B 193 19.335 -1.386 4.733 1.00 2.59 O ATOM 1672 CB ASP B 193 21.903 -3.609 4.346 1.00 3.18 C ATOM 1673 CG ASP B 193 21.747 -3.559 5.852 1.00 3.84 C ATOM 1674 OD1 ASP B 193 20.735 -4.072 6.369 1.00 4.22 O ATOM 1675 OD2 ASP B 193 22.649 -3.025 6.526 1.00 4.14 O ATOM 0 H ASP B 193 21.820 -3.510 1.892 1.00 2.08 H new ATOM 0 HA ASP B 193 19.835 -3.593 3.741 1.00 2.57 H new ATOM 0 HB2 ASP B 193 22.012 -4.647 4.032 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.821 -3.093 4.065 1.00 3.18 H new ATOM 1680 N VAL B 194 21.329 -0.643 3.988 1.00 2.39 N ATOM 1681 CA VAL B 194 21.109 0.720 4.471 1.00 2.62 C ATOM 1682 C VAL B 194 22.264 1.656 4.100 1.00 2.80 C ATOM 1683 O VAL B 194 22.073 2.864 3.961 1.00 3.15 O ATOM 1684 CB VAL B 194 20.883 0.753 6.005 1.00 3.43 C ATOM 1685 CG1 VAL B 194 22.117 0.278 6.755 1.00 3.97 C ATOM 1686 CG2 VAL B 194 20.475 2.145 6.465 1.00 3.78 C ATOM 0 H VAL B 194 22.225 -0.790 3.524 1.00 2.39 H new ATOM 0 HA VAL B 194 20.206 1.077 3.975 1.00 2.62 H new ATOM 0 HB VAL B 194 20.068 0.066 6.234 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.927 0.313 7.828 1.00 3.97 H new ATOM 0 HG12 VAL B 194 22.350 -0.745 6.461 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.960 0.925 6.515 1.00 3.97 H new ATOM 0 HG21 VAL B 194 20.323 2.141 7.544 1.00 3.78 H new ATOM 0 HG22 VAL B 194 21.261 2.857 6.212 1.00 3.78 H new ATOM 0 HG23 VAL B 194 19.549 2.435 5.969 1.00 3.78 H new ATOM 1696 N GLU B 195 23.457 1.107 3.913 1.00 2.75 N ATOM 1697 CA GLU B 195 24.609 1.937 3.586 1.00 3.12 C ATOM 1698 C GLU B 195 24.719 2.235 2.088 1.00 2.88 C ATOM 1699 O GLU B 195 23.790 1.980 1.316 1.00 2.39 O ATOM 1700 CB GLU B 195 25.894 1.294 4.103 1.00 3.40 C ATOM 1701 CG GLU B 195 26.579 2.127 5.171 1.00 4.16 C ATOM 1702 CD GLU B 195 26.647 3.589 4.787 1.00 4.65 C ATOM 1703 OE1 GLU B 195 27.394 3.919 3.846 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.935 4.410 5.401 1.00 5.02 O ATOM 0 H GLU B 195 23.651 0.108 3.980 1.00 2.75 H new ATOM 0 HA GLU B 195 24.461 2.895 4.085 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.664 0.309 4.509 1.00 3.40 H new ATOM 0 HB3 GLU B 195 26.581 1.144 3.270 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.041 2.024 6.113 1.00 4.16 H new ATOM 0 HG3 GLU B 195 27.587 1.748 5.337 1.00 4.16 H new ATOM 1711 N ASN B 196 25.863 2.800 1.702 1.00 3.43 N ATOM 1712 CA ASN B 196 26.136 3.181 0.317 1.00 3.64 C ATOM 1713 C ASN B 196 26.117 1.989 -0.630 1.00 3.41 C ATOM 1714 O ASN B 196 25.639 2.111 -1.760 1.00 3.56 O ATOM 1715 CB ASN B 196 27.495 3.874 0.220 1.00 4.47 C ATOM 1716 CG ASN B 196 27.733 4.496 -1.143 1.00 4.94 C ATOM 1717 OD1 ASN B 196 26.822 5.064 -1.748 1.00 5.26 O ATOM 1718 ND2 ASN B 196 28.957 4.395 -1.636 1.00 5.14 N ATOM 0 H ASN B 196 26.629 3.007 2.343 1.00 3.43 H new ATOM 0 HA ASN B 196 25.340 3.862 0.015 1.00 3.64 H new ATOM 0 HB2 ASN B 196 27.560 4.647 0.985 1.00 4.47 H new ATOM 0 HB3 ASN B 196 28.284 3.151 0.429 1.00 4.47 H new ATOM 0 HD21 ASN B 196 29.174 4.796 -2.549 1.00 5.14 H new ATOM 0 HD22 ASN B 196 29.683 3.917 -1.103 1.00 5.14 H new ATOM 1725 N GLU B 197 26.644 0.856 -0.164 1.00 3.29 N ATOM 1726 CA GLU B 197 26.713 -0.378 -0.957 1.00 3.26 C ATOM 1727 C GLU B 197 27.856 -0.312 -1.979 1.00 3.82 C ATOM 1728 O GLU B 197 28.085 0.717 -2.619 1.00 4.30 O ATOM 1729 CB GLU B 197 25.365 -0.674 -1.647 1.00 2.93 C ATOM 1730 CG GLU B 197 25.432 -1.713 -2.759 1.00 3.10 C ATOM 1731 CD GLU B 197 25.742 -3.109 -2.259 1.00 3.38 C ATOM 1732 OE1 GLU B 197 26.725 -3.275 -1.509 1.00 3.60 O ATOM 1733 OE2 GLU B 197 25.031 -4.051 -2.652 1.00 3.83 O ATOM 0 H GLU B 197 27.036 0.765 0.773 1.00 3.29 H new ATOM 0 HA GLU B 197 26.922 -1.202 -0.274 1.00 3.26 H new ATOM 0 HB2 GLU B 197 24.654 -1.014 -0.894 1.00 2.93 H new ATOM 0 HB3 GLU B 197 24.972 0.255 -2.060 1.00 2.93 H new ATOM 0 HG2 GLU B 197 24.480 -1.728 -3.290 1.00 3.10 H new ATOM 0 HG3 GLU B 197 26.194 -1.415 -3.479 1.00 3.10 H new ATOM 1740 N GLU B 198 28.569 -1.423 -2.111 1.00 3.91 N ATOM 1741 CA GLU B 198 29.692 -1.528 -3.033 1.00 4.52 C ATOM 1742 C GLU B 198 29.720 -2.913 -3.682 1.00 4.64 C ATOM 1743 O GLU B 198 30.689 -3.283 -4.344 1.00 5.16 O ATOM 1744 CB GLU B 198 31.007 -1.275 -2.292 1.00 4.90 C ATOM 1745 CG GLU B 198 31.801 -0.095 -2.832 1.00 5.36 C ATOM 1746 CD GLU B 198 32.367 -0.350 -4.213 1.00 5.99 C ATOM 1747 OE1 GLU B 198 33.423 -1.009 -4.320 1.00 6.25 O ATOM 1748 OE2 GLU B 198 31.759 0.106 -5.202 1.00 6.45 O ATOM 0 H GLU B 198 28.385 -2.276 -1.582 1.00 3.91 H new ATOM 0 HA GLU B 198 29.572 -0.776 -3.813 1.00 4.52 H new ATOM 0 HB2 GLU B 198 30.791 -1.103 -1.237 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.624 -2.172 -2.349 1.00 4.90 H new ATOM 0 HG2 GLU B 198 31.158 0.785 -2.865 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.617 0.132 -2.146 1.00 5.36 H new ATOM 1755 N LYS B 199 28.661 -3.684 -3.479 1.00 4.32 N ATOM 1756 CA LYS B 199 28.576 -5.023 -4.045 1.00 4.64 C ATOM 1757 C LYS B 199 27.570 -5.065 -5.193 1.00 4.89 C ATOM 1758 O LYS B 199 27.894 -5.526 -6.288 1.00 5.53 O ATOM 1759 CB LYS B 199 28.189 -6.031 -2.960 1.00 4.38 C ATOM 1760 CG LYS B 199 29.035 -5.910 -1.702 1.00 4.54 C ATOM 1761 CD LYS B 199 28.718 -7.001 -0.695 1.00 4.53 C ATOM 1762 CE LYS B 199 29.421 -6.753 0.633 1.00 4.41 C ATOM 1763 NZ LYS B 199 30.883 -6.539 0.465 1.00 4.56 N ATOM 0 H LYS B 199 27.850 -3.406 -2.927 1.00 4.32 H new ATOM 0 HA LYS B 199 29.555 -5.291 -4.442 1.00 4.64 H new ATOM 0 HB2 LYS B 199 27.140 -5.890 -2.700 1.00 4.38 H new ATOM 0 HB3 LYS B 199 28.286 -7.040 -3.360 1.00 4.38 H new ATOM 0 HG2 LYS B 199 30.091 -5.959 -1.969 1.00 4.54 H new ATOM 0 HG3 LYS B 199 28.867 -4.935 -1.245 1.00 4.54 H new ATOM 0 HD2 LYS B 199 27.641 -7.049 -0.535 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.024 -7.968 -1.095 1.00 4.53 H new ATOM 0 HE2 LYS B 199 28.981 -5.881 1.117 1.00 4.41 H new ATOM 0 HE3 LYS B 199 29.254 -7.603 1.295 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.342 -6.526 1.398 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 31.283 -7.310 -0.107 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 31.048 -5.631 -0.014 1.00 4.56 H new ATOM 1777 N VAL B 200 26.357 -4.585 -4.925 1.00 4.46 N ATOM 1778 CA VAL B 200 25.278 -4.541 -5.915 1.00 4.74 C ATOM 1779 C VAL B 200 24.981 -5.942 -6.442 1.00 5.32 C ATOM 1780 O VAL B 200 25.271 -6.268 -7.595 1.00 5.99 O ATOM 1781 CB VAL B 200 25.598 -3.591 -7.098 1.00 5.22 C ATOM 1782 CG1 VAL B 200 24.329 -3.247 -7.866 1.00 5.43 C ATOM 1783 CG2 VAL B 200 26.278 -2.320 -6.603 1.00 4.96 C ATOM 0 H VAL B 200 26.092 -4.214 -4.013 1.00 4.46 H new ATOM 0 HA VAL B 200 24.398 -4.147 -5.406 1.00 4.74 H new ATOM 0 HB VAL B 200 26.283 -4.107 -7.771 1.00 5.22 H new ATOM 0 HG11 VAL B 200 24.573 -2.580 -8.692 1.00 5.43 H new ATOM 0 HG12 VAL B 200 23.882 -4.161 -8.258 1.00 5.43 H new ATOM 0 HG13 VAL B 200 23.622 -2.754 -7.199 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.493 -1.669 -7.450 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.619 -1.803 -5.906 1.00 4.96 H new ATOM 0 HG23 VAL B 200 27.209 -2.578 -6.099 1.00 4.96 H new ATOM 1793 N LYS B 201 24.420 -6.779 -5.577 1.00 5.18 N ATOM 1794 CA LYS B 201 24.099 -8.154 -5.945 1.00 5.84 C ATOM 1795 C LYS B 201 22.951 -8.703 -5.102 1.00 5.78 C ATOM 1796 O LYS B 201 22.728 -9.912 -5.061 1.00 6.37 O ATOM 1797 CB LYS B 201 25.339 -9.034 -5.766 1.00 6.17 C ATOM 1798 CG LYS B 201 25.889 -9.007 -4.347 1.00 5.81 C ATOM 1799 CD LYS B 201 27.321 -9.502 -4.288 1.00 6.12 C ATOM 1800 CE LYS B 201 27.422 -10.968 -4.662 1.00 6.82 C ATOM 1801 NZ LYS B 201 26.642 -11.838 -3.739 1.00 7.02 N ATOM 0 H LYS B 201 24.178 -6.531 -4.618 1.00 5.18 H new ATOM 0 HA LYS B 201 23.784 -8.163 -6.989 1.00 5.84 H new ATOM 0 HB2 LYS B 201 25.090 -10.061 -6.034 1.00 6.17 H new ATOM 0 HB3 LYS B 201 26.115 -8.703 -6.457 1.00 6.17 H new ATOM 0 HG2 LYS B 201 25.840 -7.990 -3.957 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.264 -9.626 -3.703 1.00 5.81 H new ATOM 0 HD2 LYS B 201 27.939 -8.910 -4.964 1.00 6.12 H new ATOM 0 HD3 LYS B 201 27.716 -9.354 -3.283 1.00 6.12 H new ATOM 0 HE2 LYS B 201 27.062 -11.107 -5.681 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.468 -11.273 -4.649 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 26.934 -12.828 -3.866 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 26.819 -11.548 -2.756 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 25.628 -11.747 -3.950 1.00 7.02 H new ATOM 1815 N LEU B 202 22.229 -7.821 -4.425 1.00 5.18 N ATOM 1816 CA LEU B 202 21.116 -8.243 -3.589 1.00 5.23 C ATOM 1817 C LEU B 202 19.889 -7.386 -3.852 1.00 4.95 C ATOM 1818 O LEU B 202 19.995 -6.180 -4.078 1.00 4.37 O ATOM 1819 CB LEU B 202 21.492 -8.170 -2.105 1.00 4.91 C ATOM 1820 CG LEU B 202 22.383 -9.307 -1.591 1.00 5.32 C ATOM 1821 CD1 LEU B 202 22.726 -9.092 -0.127 1.00 5.10 C ATOM 1822 CD2 LEU B 202 21.699 -10.652 -1.776 1.00 6.12 C ATOM 0 H LEU B 202 22.393 -6.814 -4.438 1.00 5.18 H new ATOM 0 HA LEU B 202 20.883 -9.277 -3.842 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.001 -7.223 -1.924 1.00 4.91 H new ATOM 0 HB3 LEU B 202 20.575 -8.157 -1.516 1.00 4.91 H new ATOM 0 HG LEU B 202 23.305 -9.305 -2.172 1.00 5.32 H new ATOM 0 HD11 LEU B 202 23.359 -9.908 0.222 1.00 5.10 H new ATOM 0 HD12 LEU B 202 23.257 -8.147 -0.013 1.00 5.10 H new ATOM 0 HD13 LEU B 202 21.809 -9.067 0.462 1.00 5.10 H new ATOM 0 HD21 LEU B 202 22.349 -11.445 -1.405 1.00 6.12 H new ATOM 0 HD22 LEU B 202 20.761 -10.662 -1.222 1.00 6.12 H new ATOM 0 HD23 LEU B 202 21.497 -10.815 -2.835 1.00 6.12 H new ATOM 1834 N GLY B 203 18.727 -8.021 -3.830 1.00 5.44 N ATOM 1835 CA GLY B 203 17.487 -7.313 -4.057 1.00 5.30 C ATOM 1836 C GLY B 203 16.516 -7.487 -2.908 1.00 5.32 C ATOM 1837 O GLY B 203 15.456 -6.863 -2.879 1.00 5.33 O ATOM 0 H GLY B 203 18.622 -9.021 -3.658 1.00 5.44 H new ATOM 0 HA2 GLY B 203 17.696 -6.252 -4.198 1.00 5.30 H new ATOM 0 HA3 GLY B 203 17.027 -7.673 -4.978 1.00 5.30 H new ATOM 1841 N MET B 204 16.883 -8.332 -1.947 1.00 5.45 N ATOM 1842 CA MET B 204 16.038 -8.590 -0.783 1.00 5.69 C ATOM 1843 C MET B 204 15.846 -7.319 0.039 1.00 5.11 C ATOM 1844 O MET B 204 14.737 -7.003 0.459 1.00 5.36 O ATOM 1845 CB MET B 204 16.639 -9.704 0.090 1.00 6.02 C ATOM 1846 CG MET B 204 18.043 -9.411 0.606 1.00 5.50 C ATOM 1847 SD MET B 204 18.548 -10.516 1.939 1.00 6.01 S ATOM 1848 CE MET B 204 18.704 -12.070 1.064 1.00 6.67 C ATOM 0 H MET B 204 17.761 -8.851 -1.951 1.00 5.45 H new ATOM 0 HA MET B 204 15.063 -8.920 -1.141 1.00 5.69 H new ATOM 0 HB2 MET B 204 15.981 -9.877 0.941 1.00 6.02 H new ATOM 0 HB3 MET B 204 16.663 -10.628 -0.487 1.00 6.02 H new ATOM 0 HG2 MET B 204 18.752 -9.496 -0.217 1.00 5.50 H new ATOM 0 HG3 MET B 204 18.087 -8.381 0.959 1.00 5.50 H new ATOM 0 HE1 MET B 204 19.045 -12.843 1.753 1.00 6.67 H new ATOM 0 HE2 MET B 204 17.736 -12.354 0.651 1.00 6.67 H new ATOM 0 HE3 MET B 204 19.426 -11.961 0.254 1.00 6.67 H new ATOM 1858 N THR B 205 16.927 -6.579 0.229 1.00 4.40 N ATOM 1859 CA THR B 205 16.893 -5.349 1.001 1.00 3.86 C ATOM 1860 C THR B 205 16.848 -4.126 0.089 1.00 3.22 C ATOM 1861 O THR B 205 17.173 -3.019 0.503 1.00 2.61 O ATOM 1862 CB THR B 205 18.125 -5.263 1.914 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.092 -6.246 1.508 1.00 3.95 O ATOM 1864 CG2 THR B 205 17.741 -5.486 3.367 1.00 4.16 C ATOM 0 H THR B 205 17.847 -6.813 -0.145 1.00 4.40 H new ATOM 0 HA THR B 205 15.988 -5.361 1.609 1.00 3.86 H new ATOM 0 HB THR B 205 18.555 -4.265 1.825 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.879 -6.190 2.089 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.631 -5.420 3.993 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.024 -4.725 3.675 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.292 -6.473 3.477 1.00 4.16 H new ATOM 1872 N ASN B 206 16.430 -4.335 -1.154 1.00 3.55 N ATOM 1873 CA ASN B 206 16.345 -3.245 -2.125 1.00 3.31 C ATOM 1874 C ASN B 206 15.254 -2.260 -1.730 1.00 3.04 C ATOM 1875 O ASN B 206 15.381 -1.054 -1.947 1.00 2.62 O ATOM 1876 CB ASN B 206 16.071 -3.793 -3.528 1.00 4.07 C ATOM 1877 CG ASN B 206 15.926 -2.698 -4.569 1.00 4.18 C ATOM 1878 OD1 ASN B 206 14.827 -2.208 -4.825 1.00 4.40 O ATOM 1879 ND2 ASN B 206 17.034 -2.312 -5.180 1.00 4.21 N ATOM 0 H ASN B 206 16.145 -5.245 -1.515 1.00 3.55 H new ATOM 0 HA ASN B 206 17.302 -2.724 -2.133 1.00 3.31 H new ATOM 0 HB2 ASN B 206 16.884 -4.459 -3.818 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.160 -4.392 -3.508 1.00 4.07 H new ATOM 0 HD21 ASN B 206 16.996 -1.583 -5.892 1.00 4.21 H new ATOM 0 HD22 ASN B 206 17.926 -2.744 -4.939 1.00 4.21 H new ATOM 1886 N SER B 207 14.182 -2.785 -1.154 1.00 3.47 N ATOM 1887 CA SER B 207 13.060 -1.966 -0.725 1.00 3.42 C ATOM 1888 C SER B 207 12.264 -2.685 0.360 1.00 3.82 C ATOM 1889 O SER B 207 11.084 -2.397 0.580 1.00 4.01 O ATOM 1890 CB SER B 207 12.160 -1.640 -1.921 1.00 3.85 C ATOM 1891 OG SER B 207 12.801 -0.739 -2.809 1.00 3.99 O ATOM 0 H SER B 207 14.067 -3.782 -0.972 1.00 3.47 H new ATOM 0 HA SER B 207 13.443 -1.033 -0.311 1.00 3.42 H new ATOM 0 HB2 SER B 207 11.906 -2.558 -2.450 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.224 -1.205 -1.569 1.00 3.85 H new ATOM 0 HG SER B 207 13.743 -0.645 -2.556 1.00 3.99 H new ATOM 1897 N HIS B 208 12.923 -3.612 1.047 1.00 4.12 N ATOM 1898 CA HIS B 208 12.287 -4.374 2.106 1.00 4.71 C ATOM 1899 C HIS B 208 13.252 -4.576 3.259 1.00 4.82 C ATOM 1900 O HIS B 208 12.899 -4.213 4.395 1.00 5.20 O ATOM 1901 CB HIS B 208 11.808 -5.732 1.592 1.00 5.42 C ATOM 1902 CG HIS B 208 11.009 -6.499 2.604 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.113 -5.902 3.463 1.00 6.30 N ATOM 1904 CD2 HIS B 208 10.976 -7.822 2.891 1.00 6.75 C ATOM 1905 CE1 HIS B 208 9.569 -6.819 4.238 1.00 6.95 C ATOM 1906 NE2 HIS B 208 10.073 -7.993 3.910 1.00 7.22 N ATOM 1907 OXT HIS B 208 14.363 -5.082 3.022 1.00 4.71 O ATOM 0 H HIS B 208 13.901 -3.852 0.885 1.00 4.12 H new ATOM 0 HA HIS B 208 11.422 -3.810 2.454 1.00 4.71 H new ATOM 0 HB2 HIS B 208 11.202 -5.582 0.698 1.00 5.42 H new ATOM 0 HB3 HIS B 208 12.672 -6.326 1.295 1.00 5.42 H new ATOM 0 HD1 HIS B 208 9.903 -4.904 3.495 1.00 6.30 H new ATOM 0 HD2 HIS B 208 11.552 -8.597 2.408 1.00 6.75 H new ATOM 0 HE1 HIS B 208 8.835 -6.640 5.010 1.00 6.95 H new