USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 67 HIS : no HE2:sc= -0.267 K(o=-1.6,f=-2.3) USER MOD Set 1.2: A 72 THR OG1 : rot 11:sc= -1.35 USER MOD Set 2.1: A 19 HIS : no HE2:sc= -6.59! C(o=-6.8!,f=-7.2!) USER MOD Set 2.2: A 75 ASN : amide:sc= -0.163 X(o=-6.8,f=-6.6) USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc=-0.00786 USER MOD Set 3.2: A 38 HIS : no HD1:sc=-0.00754 X(o=-0.015,f=0.012) USER MOD Set 4.1: A 4 ASN :FLIP amide:sc= -0.431 F(o=-2.4,f=-0.88) USER MOD Set 4.2: A 36 ASN : amide:sc= -0.449 K(o=-0.88,f=-2.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.119 (180deg=-0.225) USER MOD Single : A 2 THR OG1 : rot 91:sc= 0.618 USER MOD Single : A 3 MET CE :methyl -151:sc= -0.533 (180deg=-1.09) USER MOD Single : A 7 SER OG : rot -113:sc= -0.335! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.784 F(o=-1.4,f=-0.78) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 18 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.27) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -149:sc= -0.305 (180deg=-1.16!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 32 THR OG1 : rot -171:sc= -0.378 USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.51 F(o=-1.4,f=-0.51) USER MOD Single : A 42 SER OG : rot 120:sc= -2.05 USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= -1.3 (180deg=-1.54) USER MOD Single : A 46 GLN : amide:sc= -0.82 X(o=-0.82,f=-0.47) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0818 USER MOD Single : A 58 ASN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 MET CE :methyl 151:sc= -6.21! (180deg=-11.4!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.7) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= -0.0758 (180deg=-0.0758) USER MOD Single : A 84 GLN :FLIP amide:sc= -3.26! C(o=-3.8!,f=-3.3!) USER MOD Single : A 86 ASN : amide:sc= -7.26! C(o=-7.3!,f=-14!) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.0325 (180deg=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 185.316 -0.147 -6.652 1.00 0.00 N ATOM 2 CA MET A 1 184.909 0.084 -8.062 1.00 0.00 C ATOM 3 C MET A 1 184.095 -1.087 -8.602 1.00 0.00 C ATOM 4 O MET A 1 183.266 -0.919 -9.496 1.00 0.00 O ATOM 5 CB MET A 1 186.171 0.287 -8.906 1.00 0.00 C ATOM 6 CG MET A 1 186.413 1.736 -9.300 1.00 0.00 C ATOM 7 SD MET A 1 186.724 1.938 -11.064 1.00 0.00 S ATOM 8 CE MET A 1 185.136 2.551 -11.619 1.00 0.00 C ATOM 0 H1 MET A 1 185.965 0.607 -6.350 1.00 0.00 H new ATOM 0 H2 MET A 1 184.473 -0.143 -6.042 1.00 0.00 H new ATOM 0 H3 MET A 1 185.795 -1.067 -6.575 1.00 0.00 H new ATOM 0 HA MET A 1 184.277 0.971 -8.111 1.00 0.00 H new ATOM 0 HB2 MET A 1 187.034 -0.078 -8.349 1.00 0.00 H new ATOM 0 HB3 MET A 1 186.095 -0.319 -9.809 1.00 0.00 H new ATOM 0 HG2 MET A 1 185.546 2.334 -9.018 1.00 0.00 H new ATOM 0 HG3 MET A 1 187.264 2.123 -8.739 1.00 0.00 H new ATOM 0 HE1 MET A 1 185.169 2.725 -12.694 1.00 0.00 H new ATOM 0 HE2 MET A 1 184.363 1.816 -11.394 1.00 0.00 H new ATOM 0 HE3 MET A 1 184.908 3.486 -11.107 1.00 0.00 H new ATOM 20 N THR A 2 184.335 -2.275 -8.056 1.00 0.00 N ATOM 21 CA THR A 2 183.623 -3.472 -8.486 1.00 0.00 C ATOM 22 C THR A 2 182.155 -3.419 -8.065 1.00 0.00 C ATOM 23 O THR A 2 181.290 -3.998 -8.723 1.00 0.00 O ATOM 24 CB THR A 2 184.285 -4.723 -7.908 1.00 0.00 C ATOM 25 OG1 THR A 2 185.666 -4.750 -8.225 1.00 0.00 O ATOM 26 CG2 THR A 2 183.674 -6.012 -8.411 1.00 0.00 C ATOM 0 H THR A 2 185.017 -2.434 -7.315 1.00 0.00 H new ATOM 0 HA THR A 2 183.668 -3.515 -9.574 1.00 0.00 H new ATOM 0 HB THR A 2 184.127 -4.662 -6.831 1.00 0.00 H new ATOM 0 HG1 THR A 2 186.174 -4.307 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 2 184.191 -6.860 -7.961 1.00 0.00 H new ATOM 0 HG22 THR A 2 182.619 -6.045 -8.139 1.00 0.00 H new ATOM 0 HG23 THR A 2 183.771 -6.062 -9.496 1.00 0.00 H new ATOM 34 N MET A 3 181.884 -2.725 -6.965 1.00 0.00 N ATOM 35 CA MET A 3 180.523 -2.599 -6.455 1.00 0.00 C ATOM 36 C MET A 3 179.913 -3.970 -6.181 1.00 0.00 C ATOM 37 O MET A 3 179.168 -4.505 -7.003 1.00 0.00 O ATOM 38 CB MET A 3 179.651 -1.830 -7.451 1.00 0.00 C ATOM 39 CG MET A 3 178.235 -1.587 -6.958 1.00 0.00 C ATOM 40 SD MET A 3 177.563 -0.013 -7.525 1.00 0.00 S ATOM 41 CE MET A 3 176.724 0.550 -6.046 1.00 0.00 C ATOM 0 H MET A 3 182.589 -2.241 -6.409 1.00 0.00 H new ATOM 0 HA MET A 3 180.565 -2.047 -5.516 1.00 0.00 H new ATOM 0 HB2 MET A 3 180.121 -0.871 -7.668 1.00 0.00 H new ATOM 0 HB3 MET A 3 179.610 -2.384 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 3 177.591 -2.397 -7.301 1.00 0.00 H new ATOM 0 HG3 MET A 3 178.225 -1.611 -5.868 1.00 0.00 H new ATOM 0 HE1 MET A 3 175.878 1.178 -6.324 1.00 0.00 H new ATOM 0 HE2 MET A 3 176.367 -0.311 -5.480 1.00 0.00 H new ATOM 0 HE3 MET A 3 177.416 1.126 -5.432 1.00 0.00 H new ATOM 51 N ASN A 4 180.234 -4.533 -5.020 1.00 0.00 N ATOM 52 CA ASN A 4 179.718 -5.844 -4.638 1.00 0.00 C ATOM 53 C ASN A 4 178.590 -5.710 -3.620 1.00 0.00 C ATOM 54 O ASN A 4 178.695 -4.952 -2.657 1.00 0.00 O ATOM 55 CB ASN A 4 180.839 -6.709 -4.059 1.00 0.00 C ATOM 56 CG ASN A 4 181.838 -7.143 -5.113 1.00 0.00 C ATOM 57 OD1 ASN A 4 183.094 -6.748 -4.938 1.00 0.00 O flip ATOM 58 ND2 ASN A 4 181.487 -7.829 -6.074 1.00 0.00 N flip ATOM 0 H ASN A 4 180.848 -4.103 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 4 179.322 -6.324 -5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 4 181.357 -6.152 -3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 4 180.406 -7.591 -3.587 1.00 0.00 H new ATOM 0 HD21 ASN A 4 180.511 -8.111 -6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 4 182.172 -8.115 -6.773 1.00 0.00 H new ATOM 65 N ILE A 5 177.512 -6.456 -3.840 1.00 0.00 N ATOM 66 CA ILE A 5 176.363 -6.427 -2.940 1.00 0.00 C ATOM 67 C ILE A 5 175.947 -7.839 -2.546 1.00 0.00 C ATOM 68 O ILE A 5 176.053 -8.771 -3.343 1.00 0.00 O ATOM 69 CB ILE A 5 175.161 -5.709 -3.583 1.00 0.00 C ATOM 70 CG1 ILE A 5 175.601 -4.385 -4.208 1.00 0.00 C ATOM 71 CG2 ILE A 5 174.069 -5.477 -2.549 1.00 0.00 C ATOM 72 CD1 ILE A 5 176.093 -4.523 -5.632 1.00 0.00 C ATOM 0 H ILE A 5 177.410 -7.088 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 5 176.668 -5.876 -2.051 1.00 0.00 H new ATOM 0 HB ILE A 5 174.759 -6.343 -4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 5 174.764 -3.687 -4.187 1.00 0.00 H new ATOM 0 HG13 ILE A 5 176.394 -3.951 -3.599 1.00 0.00 H new ATOM 0 HG21 ILE A 5 173.226 -4.969 -3.018 1.00 0.00 H new ATOM 0 HG22 ILE A 5 173.738 -6.435 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 5 174.460 -4.861 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 5 176.388 -3.545 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 5 176.950 -5.196 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 5 175.295 -4.928 -6.255 1.00 0.00 H new ATOM 84 N THR A 6 175.475 -7.992 -1.313 1.00 0.00 N ATOM 85 CA THR A 6 175.046 -9.294 -0.821 1.00 0.00 C ATOM 86 C THR A 6 173.925 -9.156 0.204 1.00 0.00 C ATOM 87 O THR A 6 174.159 -9.250 1.409 1.00 0.00 O ATOM 88 CB THR A 6 176.228 -10.042 -0.204 1.00 0.00 C ATOM 89 OG1 THR A 6 177.198 -9.132 0.283 1.00 0.00 O ATOM 90 CG2 THR A 6 176.920 -10.974 -1.175 1.00 0.00 C ATOM 0 H THR A 6 175.380 -7.232 -0.639 1.00 0.00 H new ATOM 0 HA THR A 6 174.664 -9.863 -1.669 1.00 0.00 H new ATOM 0 HB THR A 6 175.803 -10.637 0.604 1.00 0.00 H new ATOM 0 HG1 THR A 6 177.946 -9.630 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 6 177.749 -11.473 -0.673 1.00 0.00 H new ATOM 0 HG22 THR A 6 176.210 -11.720 -1.532 1.00 0.00 H new ATOM 0 HG23 THR A 6 177.300 -10.401 -2.021 1.00 0.00 H new ATOM 98 N SER A 7 172.707 -8.940 -0.281 1.00 0.00 N ATOM 99 CA SER A 7 171.550 -8.799 0.595 1.00 0.00 C ATOM 100 C SER A 7 171.012 -10.170 0.994 1.00 0.00 C ATOM 101 O SER A 7 171.149 -11.140 0.248 1.00 0.00 O ATOM 102 CB SER A 7 170.453 -7.987 -0.099 1.00 0.00 C ATOM 103 OG SER A 7 170.773 -6.607 -0.114 1.00 0.00 O ATOM 0 H SER A 7 172.496 -8.859 -1.276 1.00 0.00 H new ATOM 0 HA SER A 7 171.863 -8.271 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 7 170.323 -8.344 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 7 169.504 -8.138 0.415 1.00 0.00 H new ATOM 0 HG SER A 7 170.136 -6.117 0.447 1.00 0.00 H new ATOM 109 N LYS A 8 170.399 -10.248 2.171 1.00 0.00 N ATOM 110 CA LYS A 8 169.847 -11.506 2.659 1.00 0.00 C ATOM 111 C LYS A 8 168.625 -11.917 1.838 1.00 0.00 C ATOM 112 O LYS A 8 168.733 -12.722 0.915 1.00 0.00 O ATOM 113 CB LYS A 8 169.478 -11.391 4.141 1.00 0.00 C ATOM 114 CG LYS A 8 170.510 -12.002 5.075 1.00 0.00 C ATOM 115 CD LYS A 8 171.641 -11.032 5.374 1.00 0.00 C ATOM 116 CE LYS A 8 172.946 -11.763 5.648 1.00 0.00 C ATOM 117 NZ LYS A 8 173.660 -11.201 6.829 1.00 0.00 N ATOM 0 H LYS A 8 170.272 -9.457 2.803 1.00 0.00 H new ATOM 0 HA LYS A 8 170.610 -12.277 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 8 169.349 -10.339 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 8 168.517 -11.878 4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 8 170.028 -12.297 6.007 1.00 0.00 H new ATOM 0 HG3 LYS A 8 170.917 -12.908 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 8 171.773 -10.354 4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 8 171.378 -10.420 6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 8 172.741 -12.820 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 8 173.589 -11.699 4.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 174.544 -11.726 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 173.878 -10.199 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 173.057 -11.285 7.672 1.00 0.00 H new ATOM 131 N GLN A 9 167.468 -11.359 2.179 1.00 0.00 N ATOM 132 CA GLN A 9 166.231 -11.671 1.468 1.00 0.00 C ATOM 133 C GLN A 9 165.649 -10.429 0.796 1.00 0.00 C ATOM 134 O GLN A 9 164.812 -10.534 -0.101 1.00 0.00 O ATOM 135 CB GLN A 9 165.204 -12.276 2.428 1.00 0.00 C ATOM 136 CG GLN A 9 164.724 -11.308 3.499 1.00 0.00 C ATOM 137 CD GLN A 9 165.698 -11.182 4.653 1.00 0.00 C ATOM 138 OE1 GLN A 9 166.268 -9.994 4.818 1.00 0.00 O flip ATOM 139 NE2 GLN A 9 165.937 -12.140 5.387 1.00 0.00 N flip ATOM 0 H GLN A 9 167.360 -10.690 2.941 1.00 0.00 H new ATOM 0 HA GLN A 9 166.467 -12.398 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 9 164.345 -12.625 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 9 165.641 -13.150 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 9 164.568 -10.326 3.052 1.00 0.00 H new ATOM 0 HG3 GLN A 9 163.759 -11.642 3.879 1.00 0.00 H new ATOM 0 HE21 GLN A 9 165.476 -13.035 5.224 1.00 0.00 H new ATOM 0 HE22 GLN A 9 166.596 -12.039 6.159 1.00 0.00 H new ATOM 148 N MET A 10 166.090 -9.253 1.235 1.00 0.00 N ATOM 149 CA MET A 10 165.607 -7.997 0.673 1.00 0.00 C ATOM 150 C MET A 10 166.413 -7.603 -0.560 1.00 0.00 C ATOM 151 O MET A 10 167.496 -7.031 -0.448 1.00 0.00 O ATOM 152 CB MET A 10 165.686 -6.888 1.722 1.00 0.00 C ATOM 153 CG MET A 10 164.841 -5.669 1.383 1.00 0.00 C ATOM 154 SD MET A 10 163.088 -6.060 1.228 1.00 0.00 S ATOM 155 CE MET A 10 162.541 -4.744 0.144 1.00 0.00 C ATOM 0 H MET A 10 166.781 -9.145 1.978 1.00 0.00 H new ATOM 0 HA MET A 10 164.568 -8.137 0.373 1.00 0.00 H new ATOM 0 HB2 MET A 10 165.365 -7.286 2.685 1.00 0.00 H new ATOM 0 HB3 MET A 10 166.725 -6.579 1.835 1.00 0.00 H new ATOM 0 HG2 MET A 10 164.974 -4.913 2.157 1.00 0.00 H new ATOM 0 HG3 MET A 10 165.196 -5.234 0.449 1.00 0.00 H new ATOM 0 HE1 MET A 10 161.473 -4.849 -0.046 1.00 0.00 H new ATOM 0 HE2 MET A 10 162.732 -3.780 0.616 1.00 0.00 H new ATOM 0 HE3 MET A 10 163.085 -4.800 -0.799 1.00 0.00 H new ATOM 165 N GLU A 11 165.876 -7.910 -1.736 1.00 0.00 N ATOM 166 CA GLU A 11 166.548 -7.581 -2.987 1.00 0.00 C ATOM 167 C GLU A 11 166.732 -6.073 -3.117 1.00 0.00 C ATOM 168 O GLU A 11 166.057 -5.297 -2.441 1.00 0.00 O ATOM 169 CB GLU A 11 165.748 -8.115 -4.177 1.00 0.00 C ATOM 170 CG GLU A 11 165.478 -9.610 -4.106 1.00 0.00 C ATOM 171 CD GLU A 11 164.087 -9.926 -3.592 1.00 0.00 C ATOM 172 OE1 GLU A 11 163.870 -9.822 -2.367 1.00 0.00 O ATOM 173 OE2 GLU A 11 163.215 -10.276 -4.414 1.00 0.00 O ATOM 0 H GLU A 11 164.980 -8.385 -1.849 1.00 0.00 H new ATOM 0 HA GLU A 11 167.531 -8.053 -2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 11 164.797 -7.585 -4.233 1.00 0.00 H new ATOM 0 HB3 GLU A 11 166.290 -7.895 -5.097 1.00 0.00 H new ATOM 0 HG2 GLU A 11 165.603 -10.046 -5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 11 166.217 -10.079 -3.456 1.00 0.00 H new ATOM 180 N ILE A 12 167.650 -5.665 -3.984 1.00 0.00 N ATOM 181 CA ILE A 12 167.922 -4.247 -4.191 1.00 0.00 C ATOM 182 C ILE A 12 166.934 -3.634 -5.178 1.00 0.00 C ATOM 183 O ILE A 12 167.035 -3.843 -6.387 1.00 0.00 O ATOM 184 CB ILE A 12 169.359 -4.014 -4.699 1.00 0.00 C ATOM 185 CG1 ILE A 12 170.354 -4.877 -3.917 1.00 0.00 C ATOM 186 CG2 ILE A 12 169.725 -2.542 -4.589 1.00 0.00 C ATOM 187 CD1 ILE A 12 170.149 -4.840 -2.416 1.00 0.00 C ATOM 0 H ILE A 12 168.217 -6.293 -4.554 1.00 0.00 H new ATOM 0 HA ILE A 12 167.809 -3.761 -3.222 1.00 0.00 H new ATOM 0 HB ILE A 12 169.407 -4.305 -5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 12 170.274 -5.909 -4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 12 171.367 -4.544 -4.144 1.00 0.00 H new ATOM 0 HG21 ILE A 12 170.742 -2.392 -4.951 1.00 0.00 H new ATOM 0 HG22 ILE A 12 169.035 -1.950 -5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 12 169.661 -2.228 -3.547 1.00 0.00 H new ATOM 0 HD11 ILE A 12 170.891 -5.475 -1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 12 170.259 -3.816 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 12 169.149 -5.202 -2.176 1.00 0.00 H new ATOM 199 N THR A 13 165.980 -2.875 -4.651 1.00 0.00 N ATOM 200 CA THR A 13 164.970 -2.224 -5.477 1.00 0.00 C ATOM 201 C THR A 13 165.576 -1.061 -6.259 1.00 0.00 C ATOM 202 O THR A 13 166.607 -0.513 -5.869 1.00 0.00 O ATOM 203 CB THR A 13 163.820 -1.719 -4.602 1.00 0.00 C ATOM 204 OG1 THR A 13 164.230 -0.600 -3.836 1.00 0.00 O ATOM 205 CG2 THR A 13 163.293 -2.765 -3.642 1.00 0.00 C ATOM 0 H THR A 13 165.885 -2.695 -3.652 1.00 0.00 H new ATOM 0 HA THR A 13 164.586 -2.956 -6.187 1.00 0.00 H new ATOM 0 HB THR A 13 163.023 -1.453 -5.296 1.00 0.00 H new ATOM 0 HG1 THR A 13 163.482 -0.290 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 13 162.480 -2.341 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 13 162.924 -3.623 -4.205 1.00 0.00 H new ATOM 0 HG23 THR A 13 164.095 -3.085 -2.977 1.00 0.00 H new ATOM 213 N PRO A 14 164.940 -0.662 -7.376 1.00 0.00 N ATOM 214 CA PRO A 14 165.421 0.443 -8.208 1.00 0.00 C ATOM 215 C PRO A 14 165.761 1.680 -7.383 1.00 0.00 C ATOM 216 O PRO A 14 166.693 2.418 -7.703 1.00 0.00 O ATOM 217 CB PRO A 14 164.246 0.731 -9.158 1.00 0.00 C ATOM 218 CG PRO A 14 163.101 -0.090 -8.655 1.00 0.00 C ATOM 219 CD PRO A 14 163.709 -1.247 -7.918 1.00 0.00 C ATOM 0 HA PRO A 14 166.343 0.185 -8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 14 163.995 1.792 -9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 14 164.498 0.462 -10.184 1.00 0.00 H new ATOM 0 HG2 PRO A 14 162.460 0.497 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 14 162.479 -0.437 -9.480 1.00 0.00 H new ATOM 0 HD2 PRO A 14 163.053 -1.616 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A 14 163.916 -2.087 -8.581 1.00 0.00 H new ATOM 227 N ALA A 15 165.001 1.898 -6.315 1.00 0.00 N ATOM 228 CA ALA A 15 165.227 3.041 -5.442 1.00 0.00 C ATOM 229 C ALA A 15 166.508 2.863 -4.633 1.00 0.00 C ATOM 230 O ALA A 15 167.245 3.821 -4.396 1.00 0.00 O ATOM 231 CB ALA A 15 164.038 3.241 -4.514 1.00 0.00 C ATOM 0 H ALA A 15 164.225 1.299 -6.035 1.00 0.00 H new ATOM 0 HA ALA A 15 165.339 3.928 -6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 15 164.221 4.099 -3.867 1.00 0.00 H new ATOM 0 HB2 ALA A 15 163.140 3.418 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 15 163.899 2.349 -3.903 1.00 0.00 H new ATOM 237 N ILE A 16 166.768 1.629 -4.215 1.00 0.00 N ATOM 238 CA ILE A 16 167.960 1.321 -3.435 1.00 0.00 C ATOM 239 C ILE A 16 169.212 1.346 -4.306 1.00 0.00 C ATOM 240 O ILE A 16 170.239 1.904 -3.914 1.00 0.00 O ATOM 241 CB ILE A 16 167.843 -0.058 -2.752 1.00 0.00 C ATOM 242 CG1 ILE A 16 166.567 -0.126 -1.911 1.00 0.00 C ATOM 243 CG2 ILE A 16 169.066 -0.332 -1.889 1.00 0.00 C ATOM 244 CD1 ILE A 16 166.176 -1.534 -1.518 1.00 0.00 C ATOM 0 H ILE A 16 166.169 0.826 -4.404 1.00 0.00 H new ATOM 0 HA ILE A 16 168.044 2.091 -2.668 1.00 0.00 H new ATOM 0 HB ILE A 16 167.791 -0.825 -3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 16 166.704 0.470 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 16 165.748 0.327 -2.470 1.00 0.00 H new ATOM 0 HG21 ILE A 16 168.966 -1.309 -1.415 1.00 0.00 H new ATOM 0 HG22 ILE A 16 169.961 -0.321 -2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 16 169.149 0.437 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 16 165.263 -1.506 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 16 166.006 -2.128 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 16 166.977 -1.984 -0.931 1.00 0.00 H new ATOM 256 N ARG A 17 169.126 0.741 -5.486 1.00 0.00 N ATOM 257 CA ARG A 17 170.260 0.699 -6.405 1.00 0.00 C ATOM 258 C ARG A 17 170.716 2.111 -6.765 1.00 0.00 C ATOM 259 O ARG A 17 171.913 2.377 -6.882 1.00 0.00 O ATOM 260 CB ARG A 17 169.897 -0.091 -7.672 1.00 0.00 C ATOM 261 CG ARG A 17 169.268 0.751 -8.773 1.00 0.00 C ATOM 262 CD ARG A 17 168.615 -0.115 -9.837 1.00 0.00 C ATOM 263 NE ARG A 17 169.463 -0.268 -11.017 1.00 0.00 N ATOM 264 CZ ARG A 17 169.004 -0.601 -12.222 1.00 0.00 C ATOM 265 NH1 ARG A 17 167.708 -0.819 -12.411 1.00 0.00 N ATOM 266 NH2 ARG A 17 169.844 -0.714 -13.243 1.00 0.00 N ATOM 0 H ARG A 17 168.286 0.274 -5.829 1.00 0.00 H new ATOM 0 HA ARG A 17 171.086 0.191 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 17 170.798 -0.565 -8.062 1.00 0.00 H new ATOM 0 HB3 ARG A 17 169.207 -0.891 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 17 168.524 1.419 -8.340 1.00 0.00 H new ATOM 0 HG3 ARG A 17 170.031 1.379 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 17 168.395 -1.097 -9.419 1.00 0.00 H new ATOM 0 HD3 ARG A 17 167.663 0.327 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 17 170.465 -0.111 -10.912 1.00 0.00 H new ATOM 0 HH11 ARG A 17 167.057 -0.732 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 17 167.363 -1.074 -13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 17 170.840 -0.546 -13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 17 169.493 -0.969 -14.166 1.00 0.00 H new ATOM 280 N GLN A 18 169.754 3.013 -6.937 1.00 0.00 N ATOM 281 CA GLN A 18 170.059 4.397 -7.282 1.00 0.00 C ATOM 282 C GLN A 18 170.767 5.103 -6.130 1.00 0.00 C ATOM 283 O GLN A 18 171.768 5.791 -6.331 1.00 0.00 O ATOM 284 CB GLN A 18 168.776 5.150 -7.642 1.00 0.00 C ATOM 285 CG GLN A 18 168.290 4.884 -9.057 1.00 0.00 C ATOM 286 CD GLN A 18 168.703 5.971 -10.029 1.00 0.00 C ATOM 287 OE1 GLN A 18 168.523 7.159 -9.761 1.00 0.00 O ATOM 288 NE2 GLN A 18 169.259 5.570 -11.165 1.00 0.00 N ATOM 0 H GLN A 18 168.759 2.811 -6.843 1.00 0.00 H new ATOM 0 HA GLN A 18 170.724 4.390 -8.145 1.00 0.00 H new ATOM 0 HB2 GLN A 18 167.991 4.870 -6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 18 168.946 6.220 -7.521 1.00 0.00 H new ATOM 0 HG2 GLN A 18 168.684 3.927 -9.399 1.00 0.00 H new ATOM 0 HG3 GLN A 18 167.203 4.798 -9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 18 169.389 4.575 -11.346 1.00 0.00 H new ATOM 0 HE22 GLN A 18 169.556 6.257 -11.858 1.00 0.00 H new ATOM 297 N HIS A 19 170.243 4.929 -4.921 1.00 0.00 N ATOM 298 CA HIS A 19 170.825 5.549 -3.736 1.00 0.00 C ATOM 299 C HIS A 19 172.273 5.109 -3.540 1.00 0.00 C ATOM 300 O HIS A 19 173.188 5.932 -3.534 1.00 0.00 O ATOM 301 CB HIS A 19 169.999 5.197 -2.495 1.00 0.00 C ATOM 302 CG HIS A 19 169.350 6.383 -1.850 1.00 0.00 C ATOM 303 ND1 HIS A 19 168.506 7.240 -2.523 1.00 0.00 N ATOM 304 CD2 HIS A 19 169.417 6.847 -0.579 1.00 0.00 C ATOM 305 CE1 HIS A 19 168.084 8.179 -1.696 1.00 0.00 C ATOM 306 NE2 HIS A 19 168.621 7.964 -0.509 1.00 0.00 N ATOM 0 H HIS A 19 169.415 4.363 -4.736 1.00 0.00 H new ATOM 0 HA HIS A 19 170.813 6.629 -3.881 1.00 0.00 H new ATOM 0 HB2 HIS A 19 169.228 4.479 -2.774 1.00 0.00 H new ATOM 0 HB3 HIS A 19 170.644 4.706 -1.767 1.00 0.00 H new ATOM 0 HD1 HIS A 19 168.248 7.161 -3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 19 169.990 6.418 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 19 167.413 8.987 -1.948 1.00 0.00 H new ATOM 315 N VAL A 20 172.473 3.804 -3.378 1.00 0.00 N ATOM 316 CA VAL A 20 173.809 3.252 -3.179 1.00 0.00 C ATOM 317 C VAL A 20 174.750 3.647 -4.314 1.00 0.00 C ATOM 318 O VAL A 20 175.942 3.857 -4.098 1.00 0.00 O ATOM 319 CB VAL A 20 173.774 1.715 -3.071 1.00 0.00 C ATOM 320 CG1 VAL A 20 173.310 1.287 -1.687 1.00 0.00 C ATOM 321 CG2 VAL A 20 172.881 1.120 -4.153 1.00 0.00 C ATOM 0 H VAL A 20 171.726 3.109 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 20 174.181 3.668 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 20 174.785 1.336 -3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 20 173.292 0.199 -1.630 1.00 0.00 H new ATOM 0 HG12 VAL A 20 173.996 1.678 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 20 172.309 1.677 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 20 172.870 0.034 -4.059 1.00 0.00 H new ATOM 0 HG22 VAL A 20 171.867 1.504 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 20 173.266 1.395 -5.135 1.00 0.00 H new ATOM 331 N ALA A 21 174.205 3.744 -5.521 1.00 0.00 N ATOM 332 CA ALA A 21 174.997 4.112 -6.689 1.00 0.00 C ATOM 333 C ALA A 21 175.648 5.480 -6.506 1.00 0.00 C ATOM 334 O ALA A 21 176.863 5.623 -6.650 1.00 0.00 O ATOM 335 CB ALA A 21 174.129 4.104 -7.939 1.00 0.00 C ATOM 0 H ALA A 21 173.219 3.573 -5.717 1.00 0.00 H new ATOM 0 HA ALA A 21 175.791 3.374 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 21 174.733 4.381 -8.803 1.00 0.00 H new ATOM 0 HB2 ALA A 21 173.716 3.106 -8.089 1.00 0.00 H new ATOM 0 HB3 ALA A 21 173.315 4.819 -7.821 1.00 0.00 H new ATOM 341 N ASP A 22 174.833 6.479 -6.188 1.00 0.00 N ATOM 342 CA ASP A 22 175.332 7.836 -5.986 1.00 0.00 C ATOM 343 C ASP A 22 176.319 7.888 -4.823 1.00 0.00 C ATOM 344 O ASP A 22 177.266 8.674 -4.837 1.00 0.00 O ATOM 345 CB ASP A 22 174.168 8.794 -5.724 1.00 0.00 C ATOM 346 CG ASP A 22 174.622 10.235 -5.600 1.00 0.00 C ATOM 347 OD1 ASP A 22 175.614 10.603 -6.262 1.00 0.00 O ATOM 348 OD2 ASP A 22 173.986 10.995 -4.839 1.00 0.00 O ATOM 0 H ASP A 22 173.826 6.376 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 22 175.852 8.143 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 22 173.444 8.712 -6.535 1.00 0.00 H new ATOM 0 HB3 ASP A 22 173.656 8.497 -4.809 1.00 0.00 H new ATOM 353 N ARG A 23 176.091 7.046 -3.822 1.00 0.00 N ATOM 354 CA ARG A 23 176.960 6.996 -2.652 1.00 0.00 C ATOM 355 C ARG A 23 178.301 6.354 -2.994 1.00 0.00 C ATOM 356 O ARG A 23 179.359 6.918 -2.716 1.00 0.00 O ATOM 357 CB ARG A 23 176.283 6.219 -1.521 1.00 0.00 C ATOM 358 CG ARG A 23 174.852 6.653 -1.255 1.00 0.00 C ATOM 359 CD ARG A 23 174.763 7.577 -0.050 1.00 0.00 C ATOM 360 NE ARG A 23 175.147 8.947 -0.382 1.00 0.00 N ATOM 361 CZ ARG A 23 174.405 9.767 -1.122 1.00 0.00 C ATOM 362 NH1 ARG A 23 173.239 9.358 -1.609 1.00 0.00 N ATOM 363 NH2 ARG A 23 174.829 10.997 -1.375 1.00 0.00 N ATOM 0 H ARG A 23 175.312 6.388 -3.797 1.00 0.00 H new ATOM 0 HA ARG A 23 177.142 8.019 -2.323 1.00 0.00 H new ATOM 0 HB2 ARG A 23 176.292 5.157 -1.765 1.00 0.00 H new ATOM 0 HB3 ARG A 23 176.866 6.341 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 23 174.456 7.161 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 23 174.230 5.774 -1.087 1.00 0.00 H new ATOM 0 HD2 ARG A 23 173.744 7.570 0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 23 175.409 7.201 0.743 1.00 0.00 H new ATOM 0 HE ARG A 23 176.037 9.296 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 23 172.909 8.412 -1.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 172.673 9.990 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 23 175.724 11.315 -1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 23 174.260 11.626 -1.942 1.00 0.00 H new ATOM 377 N LEU A 24 178.248 5.171 -3.598 1.00 0.00 N ATOM 378 CA LEU A 24 179.458 4.452 -3.976 1.00 0.00 C ATOM 379 C LEU A 24 180.273 5.249 -4.989 1.00 0.00 C ATOM 380 O LEU A 24 181.502 5.171 -5.012 1.00 0.00 O ATOM 381 CB LEU A 24 179.099 3.079 -4.555 1.00 0.00 C ATOM 382 CG LEU A 24 179.860 1.901 -3.946 1.00 0.00 C ATOM 383 CD1 LEU A 24 181.331 1.959 -4.332 1.00 0.00 C ATOM 384 CD2 LEU A 24 179.704 1.892 -2.432 1.00 0.00 C ATOM 0 H LEU A 24 177.380 4.691 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 24 180.064 4.315 -3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 24 178.031 2.912 -4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 24 179.284 3.095 -5.629 1.00 0.00 H new ATOM 0 HG LEU A 24 179.438 0.977 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 24 181.857 1.113 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 24 181.424 1.917 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 24 181.767 2.889 -3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 24 180.252 1.047 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 24 180.100 2.820 -2.020 1.00 0.00 H new ATOM 0 HD23 LEU A 24 178.648 1.802 -2.176 1.00 0.00 H new ATOM 396 N ALA A 25 179.582 6.015 -5.827 1.00 0.00 N ATOM 397 CA ALA A 25 180.242 6.825 -6.844 1.00 0.00 C ATOM 398 C ALA A 25 181.007 7.982 -6.213 1.00 0.00 C ATOM 399 O ALA A 25 182.148 8.260 -6.583 1.00 0.00 O ATOM 400 CB ALA A 25 179.223 7.347 -7.845 1.00 0.00 C ATOM 0 H ALA A 25 178.565 6.092 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 25 180.959 6.193 -7.368 1.00 0.00 H new ATOM 0 HB1 ALA A 25 179.729 7.950 -8.599 1.00 0.00 H new ATOM 0 HB2 ALA A 25 178.724 6.507 -8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 25 178.484 7.959 -7.327 1.00 0.00 H new ATOM 406 N LYS A 26 180.372 8.658 -5.261 1.00 0.00 N ATOM 407 CA LYS A 26 180.995 9.788 -4.580 1.00 0.00 C ATOM 408 C LYS A 26 182.279 9.364 -3.876 1.00 0.00 C ATOM 409 O LYS A 26 183.317 10.009 -4.018 1.00 0.00 O ATOM 410 CB LYS A 26 180.022 10.397 -3.568 1.00 0.00 C ATOM 411 CG LYS A 26 180.158 11.904 -3.424 1.00 0.00 C ATOM 412 CD LYS A 26 179.219 12.452 -2.362 1.00 0.00 C ATOM 413 CE LYS A 26 178.457 13.668 -2.865 1.00 0.00 C ATOM 414 NZ LYS A 26 177.328 14.030 -1.962 1.00 0.00 N ATOM 0 H LYS A 26 179.427 8.443 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 26 181.247 10.537 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 26 179.002 10.160 -3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 26 180.183 9.931 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 181.187 12.154 -3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 26 179.945 12.382 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 26 178.513 11.677 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 26 179.790 12.721 -1.474 1.00 0.00 H new ATOM 0 HE2 LYS A 26 179.139 14.514 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 26 178.072 13.467 -3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 176.834 14.864 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 176.663 13.232 -1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 177.697 14.247 -1.014 1.00 0.00 H new ATOM 428 N LEU A 27 182.201 8.276 -3.117 1.00 0.00 N ATOM 429 CA LEU A 27 183.358 7.767 -2.390 1.00 0.00 C ATOM 430 C LEU A 27 184.466 7.336 -3.350 1.00 0.00 C ATOM 431 O LEU A 27 185.633 7.258 -2.967 1.00 0.00 O ATOM 432 CB LEU A 27 182.949 6.598 -1.491 1.00 0.00 C ATOM 433 CG LEU A 27 183.076 6.865 0.011 1.00 0.00 C ATOM 434 CD1 LEU A 27 181.904 6.259 0.769 1.00 0.00 C ATOM 435 CD2 LEU A 27 184.398 6.324 0.540 1.00 0.00 C ATOM 0 H LEU A 27 181.349 7.730 -2.989 1.00 0.00 H new ATOM 0 HA LEU A 27 183.746 8.573 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 27 181.915 6.333 -1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 27 183.561 5.732 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 27 183.059 7.943 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 27 182.016 6.461 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 27 180.973 6.699 0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 27 181.882 5.182 0.605 1.00 0.00 H new ATOM 0 HD21 LEU A 27 184.471 6.523 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 27 184.447 5.249 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 27 185.224 6.813 0.023 1.00 0.00 H new ATOM 447 N GLU A 28 184.094 7.056 -4.595 1.00 0.00 N ATOM 448 CA GLU A 28 185.060 6.634 -5.602 1.00 0.00 C ATOM 449 C GLU A 28 186.032 7.763 -5.939 1.00 0.00 C ATOM 450 O GLU A 28 187.143 7.517 -6.411 1.00 0.00 O ATOM 451 CB GLU A 28 184.335 6.170 -6.868 1.00 0.00 C ATOM 452 CG GLU A 28 184.725 4.771 -7.315 1.00 0.00 C ATOM 453 CD GLU A 28 184.558 3.741 -6.215 1.00 0.00 C ATOM 454 OE1 GLU A 28 183.539 3.802 -5.496 1.00 0.00 O ATOM 455 OE2 GLU A 28 185.444 2.872 -6.075 1.00 0.00 O ATOM 0 H GLU A 28 183.132 7.114 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 28 185.633 5.802 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 28 183.260 6.199 -6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 28 184.545 6.872 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 28 184.116 4.484 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 185.763 4.776 -7.649 1.00 0.00 H new ATOM 462 N LYS A 29 185.608 9.002 -5.699 1.00 0.00 N ATOM 463 CA LYS A 29 186.444 10.163 -5.982 1.00 0.00 C ATOM 464 C LYS A 29 187.184 10.641 -4.733 1.00 0.00 C ATOM 465 O LYS A 29 188.078 11.483 -4.819 1.00 0.00 O ATOM 466 CB LYS A 29 185.594 11.301 -6.550 1.00 0.00 C ATOM 467 CG LYS A 29 186.409 12.494 -7.023 1.00 0.00 C ATOM 468 CD LYS A 29 186.254 12.721 -8.519 1.00 0.00 C ATOM 469 CE LYS A 29 187.135 11.778 -9.321 1.00 0.00 C ATOM 470 NZ LYS A 29 188.533 11.753 -8.808 1.00 0.00 N ATOM 0 H LYS A 29 184.692 9.226 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 29 187.188 9.862 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 29 185.004 10.921 -7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 29 184.890 11.633 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 186.093 13.387 -6.484 1.00 0.00 H new ATOM 0 HG3 LYS A 29 187.461 12.334 -6.786 1.00 0.00 H new ATOM 0 HD2 LYS A 29 185.212 12.577 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 29 186.510 13.753 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 29 186.717 10.772 -9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 29 187.138 12.085 -10.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 189.188 11.569 -9.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 188.760 12.671 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 188.628 11.001 -8.095 1.00 0.00 H new ATOM 484 N TRP A 30 186.814 10.102 -3.574 1.00 0.00 N ATOM 485 CA TRP A 30 187.455 10.479 -2.319 1.00 0.00 C ATOM 486 C TRP A 30 188.959 10.218 -2.385 1.00 0.00 C ATOM 487 O TRP A 30 189.509 9.986 -3.462 1.00 0.00 O ATOM 488 CB TRP A 30 186.829 9.704 -1.156 1.00 0.00 C ATOM 489 CG TRP A 30 185.838 10.508 -0.370 1.00 0.00 C ATOM 490 CD1 TRP A 30 184.548 10.781 -0.719 1.00 0.00 C ATOM 491 CD2 TRP A 30 186.055 11.144 0.896 1.00 0.00 C ATOM 492 NE1 TRP A 30 183.946 11.545 0.252 1.00 0.00 N ATOM 493 CE2 TRP A 30 184.851 11.781 1.253 1.00 0.00 C ATOM 494 CE3 TRP A 30 187.147 11.234 1.763 1.00 0.00 C ATOM 495 CZ2 TRP A 30 184.710 12.498 2.438 1.00 0.00 C ATOM 496 CZ3 TRP A 30 187.006 11.947 2.940 1.00 0.00 C ATOM 497 CH2 TRP A 30 185.795 12.570 3.268 1.00 0.00 C ATOM 0 H TRP A 30 186.076 9.405 -3.479 1.00 0.00 H new ATOM 0 HA TRP A 30 187.300 11.545 -2.155 1.00 0.00 H new ATOM 0 HB2 TRP A 30 186.336 8.814 -1.546 1.00 0.00 H new ATOM 0 HB3 TRP A 30 187.620 9.363 -0.488 1.00 0.00 H new ATOM 0 HD1 TRP A 30 184.069 10.445 -1.627 1.00 0.00 H new ATOM 0 HE1 TRP A 30 182.983 11.881 0.231 1.00 0.00 H new ATOM 0 HE3 TRP A 30 188.084 10.756 1.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 183.778 12.980 2.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 187.844 12.025 3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 30 185.716 13.118 4.195 1.00 0.00 H new ATOM 508 N GLN A 31 189.621 10.253 -1.232 1.00 0.00 N ATOM 509 CA GLN A 31 191.060 10.016 -1.171 1.00 0.00 C ATOM 510 C GLN A 31 191.371 8.525 -1.068 1.00 0.00 C ATOM 511 O GLN A 31 192.340 8.127 -0.419 1.00 0.00 O ATOM 512 CB GLN A 31 191.662 10.753 0.024 1.00 0.00 C ATOM 513 CG GLN A 31 193.178 10.851 -0.020 1.00 0.00 C ATOM 514 CD GLN A 31 193.713 11.995 0.818 1.00 0.00 C ATOM 515 OE1 GLN A 31 193.130 12.358 1.840 1.00 0.00 O ATOM 516 NE2 GLN A 31 194.830 12.572 0.389 1.00 0.00 N ATOM 0 H GLN A 31 189.185 10.443 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 31 191.503 10.394 -2.092 1.00 0.00 H new ATOM 0 HB2 GLN A 31 191.243 11.758 0.069 1.00 0.00 H new ATOM 0 HB3 GLN A 31 191.366 10.243 0.941 1.00 0.00 H new ATOM 0 HG2 GLN A 31 193.609 9.914 0.333 1.00 0.00 H new ATOM 0 HG3 GLN A 31 193.500 10.981 -1.053 1.00 0.00 H new ATOM 0 HE21 GLN A 31 195.281 12.240 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A 31 195.237 13.347 0.912 1.00 0.00 H new ATOM 525 N THR A 32 190.548 7.703 -1.710 1.00 0.00 N ATOM 526 CA THR A 32 190.737 6.257 -1.689 1.00 0.00 C ATOM 527 C THR A 32 190.552 5.667 -3.083 1.00 0.00 C ATOM 528 O THR A 32 190.223 6.381 -4.030 1.00 0.00 O ATOM 529 CB THR A 32 189.755 5.608 -0.715 1.00 0.00 C ATOM 530 OG1 THR A 32 189.985 4.212 -0.630 1.00 0.00 O ATOM 531 CG2 THR A 32 188.306 5.810 -1.104 1.00 0.00 C ATOM 0 H THR A 32 189.742 8.014 -2.252 1.00 0.00 H new ATOM 0 HA THR A 32 191.755 6.052 -1.358 1.00 0.00 H new ATOM 0 HB THR A 32 189.930 6.098 0.243 1.00 0.00 H new ATOM 0 HG1 THR A 32 189.264 3.792 -0.116 1.00 0.00 H new ATOM 0 HG21 THR A 32 187.661 5.325 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 32 188.083 6.876 -1.134 1.00 0.00 H new ATOM 0 HG23 THR A 32 188.129 5.375 -2.087 1.00 0.00 H new ATOM 539 N HIS A 33 190.764 4.362 -3.201 1.00 0.00 N ATOM 540 CA HIS A 33 190.619 3.677 -4.481 1.00 0.00 C ATOM 541 C HIS A 33 189.697 2.460 -4.366 1.00 0.00 C ATOM 542 O HIS A 33 189.543 1.712 -5.330 1.00 0.00 O ATOM 543 CB HIS A 33 191.995 3.266 -5.024 1.00 0.00 C ATOM 544 CG HIS A 33 192.438 1.896 -4.607 1.00 0.00 C ATOM 545 ND1 HIS A 33 192.267 1.224 -3.444 1.00 0.00 N flip ATOM 546 CD2 HIS A 33 193.145 1.050 -5.435 1.00 0.00 C flip ATOM 547 CE1 HIS A 33 192.867 -0.002 -3.590 1.00 0.00 C flip ATOM 548 NE2 HIS A 33 193.389 -0.083 -4.800 1.00 0.00 N flip ATOM 0 H HIS A 33 191.037 3.756 -2.427 1.00 0.00 H new ATOM 0 HA HIS A 33 190.158 4.372 -5.183 1.00 0.00 H new ATOM 0 HB2 HIS A 33 191.972 3.312 -6.113 1.00 0.00 H new ATOM 0 HB3 HIS A 33 192.736 3.992 -4.690 1.00 0.00 H new ATOM 0 HD2 HIS A 33 193.452 1.278 -6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 33 192.906 -0.775 -2.837 1.00 0.00 H new ATOM 0 HE2 HIS A 33 193.894 -0.883 -5.180 1.00 0.00 H new ATOM 557 N LEU A 34 189.097 2.272 -3.179 1.00 0.00 N ATOM 558 CA LEU A 34 188.182 1.149 -2.901 1.00 0.00 C ATOM 559 C LEU A 34 187.953 0.269 -4.129 1.00 0.00 C ATOM 560 O LEU A 34 187.404 0.721 -5.134 1.00 0.00 O ATOM 561 CB LEU A 34 186.837 1.679 -2.391 1.00 0.00 C ATOM 562 CG LEU A 34 186.919 2.913 -1.486 1.00 0.00 C ATOM 563 CD1 LEU A 34 185.757 3.855 -1.760 1.00 0.00 C ATOM 564 CD2 LEU A 34 186.949 2.503 -0.021 1.00 0.00 C ATOM 0 H LEU A 34 189.232 2.895 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 34 188.654 0.533 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 34 186.211 1.920 -3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 186.335 0.881 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 34 187.846 3.442 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 34 185.832 4.725 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 185.788 4.178 -2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 34 184.817 3.338 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 34 187.007 3.393 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 34 186.042 1.949 0.220 1.00 0.00 H new ATOM 0 HD23 LEU A 34 187.819 1.873 0.163 1.00 0.00 H new ATOM 576 N ILE A 35 188.386 -0.986 -4.050 1.00 0.00 N ATOM 577 CA ILE A 35 188.237 -1.908 -5.176 1.00 0.00 C ATOM 578 C ILE A 35 187.191 -2.990 -4.913 1.00 0.00 C ATOM 579 O ILE A 35 186.433 -3.356 -5.813 1.00 0.00 O ATOM 580 CB ILE A 35 189.577 -2.589 -5.557 1.00 0.00 C ATOM 581 CG1 ILE A 35 190.579 -2.538 -4.397 1.00 0.00 C ATOM 582 CG2 ILE A 35 190.168 -1.931 -6.795 1.00 0.00 C ATOM 583 CD1 ILE A 35 190.225 -3.455 -3.249 1.00 0.00 C ATOM 0 H ILE A 35 188.838 -1.387 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 35 187.901 -1.290 -6.008 1.00 0.00 H new ATOM 0 HB ILE A 35 189.371 -3.637 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 35 191.568 -2.803 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 190.642 -1.515 -4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 35 191.109 -2.418 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 35 189.470 -2.028 -7.627 1.00 0.00 H new ATOM 0 HG23 ILE A 35 190.349 -0.875 -6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 35 190.978 -3.365 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 189.250 -3.177 -2.848 1.00 0.00 H new ATOM 0 HD13 ILE A 35 190.191 -4.485 -3.603 1.00 0.00 H new ATOM 595 N ASN A 36 187.155 -3.514 -3.692 1.00 0.00 N ATOM 596 CA ASN A 36 186.203 -4.567 -3.347 1.00 0.00 C ATOM 597 C ASN A 36 185.135 -4.074 -2.371 1.00 0.00 C ATOM 598 O ASN A 36 185.040 -4.559 -1.244 1.00 0.00 O ATOM 599 CB ASN A 36 186.942 -5.767 -2.752 1.00 0.00 C ATOM 600 CG ASN A 36 186.376 -7.090 -3.232 1.00 0.00 C ATOM 601 OD1 ASN A 36 185.175 -7.216 -3.466 1.00 0.00 O ATOM 602 ND2 ASN A 36 187.243 -8.086 -3.379 1.00 0.00 N ATOM 0 H ASN A 36 187.769 -3.230 -2.929 1.00 0.00 H new ATOM 0 HA ASN A 36 185.697 -4.867 -4.265 1.00 0.00 H new ATOM 0 HB2 ASN A 36 187.998 -5.709 -3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 36 186.884 -5.723 -1.664 1.00 0.00 H new ATOM 0 HD21 ASN A 36 186.921 -9.000 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 36 188.231 -7.937 -3.173 1.00 0.00 H new ATOM 609 N PRO A 37 184.304 -3.104 -2.792 1.00 0.00 N ATOM 610 CA PRO A 37 183.238 -2.559 -1.947 1.00 0.00 C ATOM 611 C PRO A 37 182.078 -3.531 -1.777 1.00 0.00 C ATOM 612 O PRO A 37 181.466 -3.962 -2.755 1.00 0.00 O ATOM 613 CB PRO A 37 182.782 -1.319 -2.713 1.00 0.00 C ATOM 614 CG PRO A 37 183.070 -1.643 -4.134 1.00 0.00 C ATOM 615 CD PRO A 37 184.333 -2.460 -4.118 1.00 0.00 C ATOM 0 HA PRO A 37 183.586 -2.352 -0.935 1.00 0.00 H new ATOM 0 HB2 PRO A 37 181.722 -1.122 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 37 183.323 -0.430 -2.390 1.00 0.00 H new ATOM 0 HG2 PRO A 37 182.248 -2.201 -4.582 1.00 0.00 H new ATOM 0 HG3 PRO A 37 183.198 -0.736 -4.724 1.00 0.00 H new ATOM 0 HD2 PRO A 37 184.346 -3.196 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 37 185.218 -1.835 -4.243 1.00 0.00 H new ATOM 623 N HIS A 38 181.780 -3.872 -0.530 1.00 0.00 N ATOM 624 CA HIS A 38 180.691 -4.791 -0.226 1.00 0.00 C ATOM 625 C HIS A 38 179.483 -4.037 0.321 1.00 0.00 C ATOM 626 O HIS A 38 179.626 -3.105 1.112 1.00 0.00 O ATOM 627 CB HIS A 38 181.152 -5.847 0.781 1.00 0.00 C ATOM 628 CG HIS A 38 181.234 -7.227 0.205 1.00 0.00 C ATOM 629 ND1 HIS A 38 182.429 -7.870 -0.043 1.00 0.00 N ATOM 630 CD2 HIS A 38 180.259 -8.089 -0.173 1.00 0.00 C ATOM 631 CE1 HIS A 38 182.185 -9.067 -0.548 1.00 0.00 C ATOM 632 NE2 HIS A 38 180.879 -9.223 -0.637 1.00 0.00 N ATOM 0 H HIS A 38 182.279 -3.525 0.289 1.00 0.00 H new ATOM 0 HA HIS A 38 180.397 -5.289 -1.150 1.00 0.00 H new ATOM 0 HB2 HIS A 38 182.131 -5.565 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 38 180.465 -5.855 1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 38 179.194 -7.916 -0.119 1.00 0.00 H new ATOM 0 HE1 HIS A 38 182.929 -9.794 -0.838 1.00 0.00 H new ATOM 0 HE2 HIS A 38 180.405 -10.053 -0.993 1.00 0.00 H new ATOM 641 N ILE A 39 178.290 -4.443 -0.110 1.00 0.00 N ATOM 642 CA ILE A 39 177.059 -3.802 0.338 1.00 0.00 C ATOM 643 C ILE A 39 176.003 -4.840 0.704 1.00 0.00 C ATOM 644 O ILE A 39 175.496 -5.556 -0.159 1.00 0.00 O ATOM 645 CB ILE A 39 176.490 -2.862 -0.743 1.00 0.00 C ATOM 646 CG1 ILE A 39 177.564 -1.877 -1.207 1.00 0.00 C ATOM 647 CG2 ILE A 39 175.270 -2.120 -0.216 1.00 0.00 C ATOM 648 CD1 ILE A 39 177.987 -0.897 -0.135 1.00 0.00 C ATOM 0 H ILE A 39 178.152 -5.211 -0.767 1.00 0.00 H new ATOM 0 HA ILE A 39 177.309 -3.215 1.222 1.00 0.00 H new ATOM 0 HB ILE A 39 176.180 -3.462 -1.599 1.00 0.00 H new ATOM 0 HG12 ILE A 39 178.438 -2.436 -1.543 1.00 0.00 H new ATOM 0 HG13 ILE A 39 177.190 -1.323 -2.068 1.00 0.00 H new ATOM 0 HG21 ILE A 39 174.881 -1.461 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 39 174.501 -2.839 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 39 175.552 -1.528 0.655 1.00 0.00 H new ATOM 0 HD11 ILE A 39 178.751 -0.229 -0.534 1.00 0.00 H new ATOM 0 HD12 ILE A 39 177.124 -0.312 0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 39 178.391 -1.443 0.718 1.00 0.00 H new ATOM 660 N ILE A 40 175.677 -4.914 1.990 1.00 0.00 N ATOM 661 CA ILE A 40 174.682 -5.863 2.474 1.00 0.00 C ATOM 662 C ILE A 40 173.455 -5.142 3.024 1.00 0.00 C ATOM 663 O ILE A 40 173.452 -4.684 4.167 1.00 0.00 O ATOM 664 CB ILE A 40 175.268 -6.776 3.572 1.00 0.00 C ATOM 665 CG1 ILE A 40 176.494 -7.523 3.043 1.00 0.00 C ATOM 666 CG2 ILE A 40 174.218 -7.761 4.071 1.00 0.00 C ATOM 667 CD1 ILE A 40 177.686 -7.465 3.972 1.00 0.00 C ATOM 0 H ILE A 40 176.088 -4.327 2.716 1.00 0.00 H new ATOM 0 HA ILE A 40 174.385 -6.475 1.623 1.00 0.00 H new ATOM 0 HB ILE A 40 175.575 -6.152 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 40 176.228 -8.566 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 40 176.776 -7.104 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 174.652 -8.395 4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 40 173.372 -7.212 4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 40 173.878 -8.382 3.242 1.00 0.00 H new ATOM 0 HD11 ILE A 40 178.517 -8.016 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 40 177.979 -6.426 4.124 1.00 0.00 H new ATOM 0 HD13 ILE A 40 177.422 -7.911 4.931 1.00 0.00 H new ATOM 679 N LEU A 41 172.413 -5.049 2.204 1.00 0.00 N ATOM 680 CA LEU A 41 171.179 -4.387 2.612 1.00 0.00 C ATOM 681 C LEU A 41 170.088 -5.409 2.900 1.00 0.00 C ATOM 682 O LEU A 41 169.459 -5.937 1.984 1.00 0.00 O ATOM 683 CB LEU A 41 170.706 -3.416 1.527 1.00 0.00 C ATOM 684 CG LEU A 41 169.331 -2.788 1.778 1.00 0.00 C ATOM 685 CD1 LEU A 41 169.369 -1.291 1.508 1.00 0.00 C ATOM 686 CD2 LEU A 41 168.270 -3.460 0.918 1.00 0.00 C ATOM 0 H LEU A 41 172.398 -5.423 1.255 1.00 0.00 H new ATOM 0 HA LEU A 41 171.384 -3.827 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 41 171.441 -2.618 1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 41 170.680 -3.944 0.574 1.00 0.00 H new ATOM 0 HG LEU A 41 169.071 -2.941 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 41 168.384 -0.863 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 41 170.098 -0.821 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 41 169.653 -1.116 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 41 167.301 -3.000 1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 168.526 -3.340 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 41 168.223 -4.521 1.162 1.00 0.00 H new ATOM 698 N SER A 42 169.870 -5.689 4.179 1.00 0.00 N ATOM 699 CA SER A 42 168.855 -6.650 4.582 1.00 0.00 C ATOM 700 C SER A 42 167.709 -5.959 5.311 1.00 0.00 C ATOM 701 O SER A 42 167.865 -4.855 5.832 1.00 0.00 O ATOM 702 CB SER A 42 169.466 -7.729 5.478 1.00 0.00 C ATOM 703 OG SER A 42 170.448 -8.477 4.782 1.00 0.00 O ATOM 0 H SER A 42 170.382 -5.264 4.952 1.00 0.00 H new ATOM 0 HA SER A 42 168.460 -7.118 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 42 169.914 -7.265 6.357 1.00 0.00 H new ATOM 0 HB3 SER A 42 168.682 -8.397 5.835 1.00 0.00 H new ATOM 0 HG SER A 42 171.311 -8.387 5.237 1.00 0.00 H new ATOM 709 N LYS A 43 166.558 -6.617 5.340 1.00 0.00 N ATOM 710 CA LYS A 43 165.381 -6.071 6.002 1.00 0.00 C ATOM 711 C LYS A 43 165.161 -6.743 7.352 1.00 0.00 C ATOM 712 O LYS A 43 164.955 -7.954 7.427 1.00 0.00 O ATOM 713 CB LYS A 43 164.142 -6.259 5.123 1.00 0.00 C ATOM 714 CG LYS A 43 163.152 -5.115 5.219 1.00 0.00 C ATOM 715 CD LYS A 43 161.907 -5.512 5.994 1.00 0.00 C ATOM 716 CE LYS A 43 160.880 -6.181 5.095 1.00 0.00 C ATOM 717 NZ LYS A 43 161.477 -7.293 4.303 1.00 0.00 N ATOM 0 H LYS A 43 166.414 -7.532 4.912 1.00 0.00 H new ATOM 0 HA LYS A 43 165.546 -5.006 6.164 1.00 0.00 H new ATOM 0 HB2 LYS A 43 164.456 -6.371 4.085 1.00 0.00 H new ATOM 0 HB3 LYS A 43 163.643 -7.186 5.406 1.00 0.00 H new ATOM 0 HG2 LYS A 43 163.627 -4.263 5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 43 162.869 -4.793 4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 43 162.181 -6.190 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 43 161.467 -4.628 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 43 160.061 -6.567 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 43 160.453 -5.441 4.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 160.727 -7.788 3.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 162.171 -6.907 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 161.951 -7.961 4.944 1.00 0.00 H new ATOM 731 N GLU A 44 165.201 -5.951 8.418 1.00 0.00 N ATOM 732 CA GLU A 44 165.001 -6.477 9.762 1.00 0.00 C ATOM 733 C GLU A 44 163.642 -6.048 10.310 1.00 0.00 C ATOM 734 O GLU A 44 163.196 -4.924 10.077 1.00 0.00 O ATOM 735 CB GLU A 44 166.121 -6.008 10.693 1.00 0.00 C ATOM 736 CG GLU A 44 166.966 -7.145 11.252 1.00 0.00 C ATOM 737 CD GLU A 44 167.401 -8.135 10.187 1.00 0.00 C ATOM 738 OE1 GLU A 44 166.632 -9.079 9.905 1.00 0.00 O ATOM 739 OE2 GLU A 44 168.510 -7.971 9.638 1.00 0.00 O ATOM 0 H GLU A 44 165.370 -4.946 8.377 1.00 0.00 H new ATOM 0 HA GLU A 44 165.025 -7.566 9.710 1.00 0.00 H new ATOM 0 HB2 GLU A 44 166.768 -5.318 10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 44 165.684 -5.450 11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 44 167.849 -6.730 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 166.397 -7.671 12.019 1.00 0.00 H new ATOM 746 N PRO A 45 162.963 -6.942 11.047 1.00 0.00 N ATOM 747 CA PRO A 45 161.648 -6.661 11.629 1.00 0.00 C ATOM 748 C PRO A 45 161.546 -5.269 12.241 1.00 0.00 C ATOM 749 O PRO A 45 160.532 -4.588 12.089 1.00 0.00 O ATOM 750 CB PRO A 45 161.529 -7.728 12.712 1.00 0.00 C ATOM 751 CG PRO A 45 162.277 -8.890 12.163 1.00 0.00 C ATOM 752 CD PRO A 45 163.422 -8.310 11.371 1.00 0.00 C ATOM 0 HA PRO A 45 160.858 -6.684 10.879 1.00 0.00 H new ATOM 0 HB2 PRO A 45 161.957 -7.388 13.655 1.00 0.00 H new ATOM 0 HB3 PRO A 45 160.487 -7.982 12.908 1.00 0.00 H new ATOM 0 HG2 PRO A 45 162.642 -9.533 12.964 1.00 0.00 H new ATOM 0 HG3 PRO A 45 161.636 -9.503 11.530 1.00 0.00 H new ATOM 0 HD2 PRO A 45 164.345 -8.296 11.951 1.00 0.00 H new ATOM 0 HD3 PRO A 45 163.621 -8.890 10.470 1.00 0.00 H new ATOM 760 N GLN A 46 162.590 -4.857 12.952 1.00 0.00 N ATOM 761 CA GLN A 46 162.593 -3.555 13.604 1.00 0.00 C ATOM 762 C GLN A 46 163.383 -2.513 12.815 1.00 0.00 C ATOM 763 O GLN A 46 163.835 -1.517 13.382 1.00 0.00 O ATOM 764 CB GLN A 46 163.160 -3.681 15.020 1.00 0.00 C ATOM 765 CG GLN A 46 162.643 -2.620 15.980 1.00 0.00 C ATOM 766 CD GLN A 46 161.127 -2.524 15.990 1.00 0.00 C ATOM 767 OE1 GLN A 46 160.566 -1.430 16.037 1.00 0.00 O ATOM 768 NE2 GLN A 46 160.461 -3.671 15.945 1.00 0.00 N ATOM 0 H GLN A 46 163.440 -5.403 13.090 1.00 0.00 H new ATOM 0 HA GLN A 46 161.559 -3.212 13.650 1.00 0.00 H new ATOM 0 HB2 GLN A 46 162.914 -4.667 15.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 164.247 -3.618 14.974 1.00 0.00 H new ATOM 0 HG2 GLN A 46 162.995 -2.845 16.987 1.00 0.00 H new ATOM 0 HG3 GLN A 46 163.062 -1.652 15.705 1.00 0.00 H new ATOM 0 HE21 GLN A 46 160.969 -4.555 15.907 1.00 0.00 H new ATOM 0 HE22 GLN A 46 159.441 -3.669 15.949 1.00 0.00 H new ATOM 777 N GLY A 47 163.539 -2.726 11.510 1.00 0.00 N ATOM 778 CA GLY A 47 164.263 -1.762 10.698 1.00 0.00 C ATOM 779 C GLY A 47 165.150 -2.388 9.637 1.00 0.00 C ATOM 780 O GLY A 47 165.334 -3.606 9.600 1.00 0.00 O ATOM 0 H GLY A 47 163.182 -3.538 11.006 1.00 0.00 H new ATOM 0 HA2 GLY A 47 163.546 -1.100 10.213 1.00 0.00 H new ATOM 0 HA3 GLY A 47 164.878 -1.142 11.351 1.00 0.00 H new ATOM 784 N PHE A 48 165.700 -1.536 8.773 1.00 0.00 N ATOM 785 CA PHE A 48 166.581 -1.972 7.695 1.00 0.00 C ATOM 786 C PHE A 48 168.003 -2.175 8.209 1.00 0.00 C ATOM 787 O PHE A 48 168.477 -1.418 9.059 1.00 0.00 O ATOM 788 CB PHE A 48 166.595 -0.925 6.575 1.00 0.00 C ATOM 789 CG PHE A 48 165.873 -1.341 5.321 1.00 0.00 C ATOM 790 CD1 PHE A 48 164.688 -2.056 5.383 1.00 0.00 C ATOM 791 CD2 PHE A 48 166.378 -1.002 4.078 1.00 0.00 C ATOM 792 CE1 PHE A 48 164.024 -2.422 4.227 1.00 0.00 C ATOM 793 CE2 PHE A 48 165.717 -1.367 2.922 1.00 0.00 C ATOM 794 CZ PHE A 48 164.539 -2.075 2.997 1.00 0.00 C ATOM 0 H PHE A 48 165.547 -0.528 8.802 1.00 0.00 H new ATOM 0 HA PHE A 48 166.204 -2.919 7.309 1.00 0.00 H new ATOM 0 HB2 PHE A 48 166.146 -0.005 6.949 1.00 0.00 H new ATOM 0 HB3 PHE A 48 167.630 -0.695 6.323 1.00 0.00 H new ATOM 0 HD1 PHE A 48 164.279 -2.330 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 48 167.301 -0.445 4.011 1.00 0.00 H new ATOM 0 HE1 PHE A 48 163.101 -2.980 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 48 166.124 -1.097 1.959 1.00 0.00 H new ATOM 0 HZ PHE A 48 164.019 -2.358 2.094 1.00 0.00 H new ATOM 804 N VAL A 49 168.678 -3.193 7.686 1.00 0.00 N ATOM 805 CA VAL A 49 170.047 -3.492 8.087 1.00 0.00 C ATOM 806 C VAL A 49 171.025 -3.197 6.956 1.00 0.00 C ATOM 807 O VAL A 49 171.208 -4.013 6.052 1.00 0.00 O ATOM 808 CB VAL A 49 170.196 -4.966 8.508 1.00 0.00 C ATOM 809 CG1 VAL A 49 171.596 -5.234 9.043 1.00 0.00 C ATOM 810 CG2 VAL A 49 169.145 -5.330 9.543 1.00 0.00 C ATOM 0 H VAL A 49 168.298 -3.826 6.982 1.00 0.00 H new ATOM 0 HA VAL A 49 170.277 -2.852 8.939 1.00 0.00 H new ATOM 0 HB VAL A 49 170.044 -5.593 7.629 1.00 0.00 H new ATOM 0 HG11 VAL A 49 171.680 -6.281 9.335 1.00 0.00 H new ATOM 0 HG12 VAL A 49 172.330 -5.013 8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 171.782 -4.600 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 49 169.264 -6.375 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 49 169.265 -4.696 10.422 1.00 0.00 H new ATOM 0 HG23 VAL A 49 168.151 -5.180 9.121 1.00 0.00 H new ATOM 820 N ALA A 50 171.649 -2.025 7.009 1.00 0.00 N ATOM 821 CA ALA A 50 172.608 -1.625 5.985 1.00 0.00 C ATOM 822 C ALA A 50 174.036 -1.934 6.420 1.00 0.00 C ATOM 823 O ALA A 50 174.676 -1.133 7.098 1.00 0.00 O ATOM 824 CB ALA A 50 172.456 -0.144 5.674 1.00 0.00 C ATOM 0 H ALA A 50 171.508 -1.337 7.748 1.00 0.00 H new ATOM 0 HA ALA A 50 172.401 -2.198 5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 50 173.177 0.143 4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 50 171.446 0.050 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 50 172.636 0.438 6.578 1.00 0.00 H new ATOM 830 N ASP A 51 174.526 -3.108 6.028 1.00 0.00 N ATOM 831 CA ASP A 51 175.877 -3.526 6.379 1.00 0.00 C ATOM 832 C ASP A 51 176.812 -3.426 5.179 1.00 0.00 C ATOM 833 O ASP A 51 176.938 -4.368 4.396 1.00 0.00 O ATOM 834 CB ASP A 51 175.866 -4.962 6.913 1.00 0.00 C ATOM 835 CG ASP A 51 176.641 -5.101 8.208 1.00 0.00 C ATOM 836 OD1 ASP A 51 176.356 -4.338 9.155 1.00 0.00 O ATOM 837 OD2 ASP A 51 177.532 -5.973 8.276 1.00 0.00 O ATOM 0 H ASP A 51 174.007 -3.784 5.468 1.00 0.00 H new ATOM 0 HA ASP A 51 176.245 -2.857 7.157 1.00 0.00 H new ATOM 0 HB2 ASP A 51 174.836 -5.280 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 51 176.292 -5.629 6.164 1.00 0.00 H new ATOM 842 N ALA A 52 177.465 -2.278 5.038 1.00 0.00 N ATOM 843 CA ALA A 52 178.388 -2.053 3.933 1.00 0.00 C ATOM 844 C ALA A 52 179.838 -2.196 4.389 1.00 0.00 C ATOM 845 O ALA A 52 180.167 -1.916 5.541 1.00 0.00 O ATOM 846 CB ALA A 52 178.159 -0.676 3.331 1.00 0.00 C ATOM 0 H ALA A 52 177.372 -1.488 5.676 1.00 0.00 H new ATOM 0 HA ALA A 52 178.197 -2.810 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 52 178.854 -0.519 2.506 1.00 0.00 H new ATOM 0 HB2 ALA A 52 177.136 -0.606 2.961 1.00 0.00 H new ATOM 0 HB3 ALA A 52 178.322 0.086 4.093 1.00 0.00 H new ATOM 852 N THR A 53 180.701 -2.630 3.476 1.00 0.00 N ATOM 853 CA THR A 53 182.116 -2.807 3.782 1.00 0.00 C ATOM 854 C THR A 53 182.975 -2.509 2.558 1.00 0.00 C ATOM 855 O THR A 53 183.110 -3.342 1.662 1.00 0.00 O ATOM 856 CB THR A 53 182.382 -4.232 4.273 1.00 0.00 C ATOM 857 OG1 THR A 53 181.185 -4.840 4.723 1.00 0.00 O ATOM 858 CG2 THR A 53 183.383 -4.296 5.405 1.00 0.00 C ATOM 0 H THR A 53 180.445 -2.866 2.517 1.00 0.00 H new ATOM 0 HA THR A 53 182.382 -2.105 4.572 1.00 0.00 H new ATOM 0 HB THR A 53 182.794 -4.761 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 53 181.376 -5.750 5.031 1.00 0.00 H new ATOM 0 HG21 THR A 53 183.526 -5.334 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 53 184.334 -3.880 5.073 1.00 0.00 H new ATOM 0 HG23 THR A 53 183.011 -3.721 6.253 1.00 0.00 H new ATOM 866 N ILE A 54 183.560 -1.315 2.528 1.00 0.00 N ATOM 867 CA ILE A 54 184.410 -0.913 1.412 1.00 0.00 C ATOM 868 C ILE A 54 185.852 -1.350 1.629 1.00 0.00 C ATOM 869 O ILE A 54 186.437 -1.091 2.679 1.00 0.00 O ATOM 870 CB ILE A 54 184.385 0.613 1.174 1.00 0.00 C ATOM 871 CG1 ILE A 54 184.249 1.381 2.500 1.00 0.00 C ATOM 872 CG2 ILE A 54 183.270 0.984 0.206 1.00 0.00 C ATOM 873 CD1 ILE A 54 182.823 1.732 2.886 1.00 0.00 C ATOM 0 H ILE A 54 183.462 -0.612 3.260 1.00 0.00 H new ATOM 0 HA ILE A 54 184.003 -1.410 0.532 1.00 0.00 H new ATOM 0 HB ILE A 54 185.335 0.902 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 54 184.690 0.783 3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 54 184.830 2.301 2.433 1.00 0.00 H new ATOM 0 HG21 ILE A 54 183.267 2.063 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 54 183.433 0.480 -0.747 1.00 0.00 H new ATOM 0 HG23 ILE A 54 182.310 0.675 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 54 182.825 2.271 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 54 182.380 2.359 2.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 182.239 0.818 2.990 1.00 0.00 H new ATOM 885 N ASN A 55 186.423 -2.011 0.625 1.00 0.00 N ATOM 886 CA ASN A 55 187.802 -2.485 0.703 1.00 0.00 C ATOM 887 C ASN A 55 188.782 -1.387 0.299 1.00 0.00 C ATOM 888 O ASN A 55 189.121 -1.243 -0.879 1.00 0.00 O ATOM 889 CB ASN A 55 187.996 -3.712 -0.188 1.00 0.00 C ATOM 890 CG ASN A 55 188.975 -4.707 0.403 1.00 0.00 C ATOM 891 OD1 ASN A 55 188.579 -5.756 0.915 1.00 0.00 O ATOM 892 ND2 ASN A 55 190.260 -4.386 0.336 1.00 0.00 N ATOM 0 H ASN A 55 185.952 -2.231 -0.253 1.00 0.00 H new ATOM 0 HA ASN A 55 188.003 -2.762 1.738 1.00 0.00 H new ATOM 0 HB2 ASN A 55 187.034 -4.201 -0.343 1.00 0.00 H new ATOM 0 HB3 ASN A 55 188.353 -3.394 -1.167 1.00 0.00 H new ATOM 0 HD21 ASN A 55 190.964 -5.018 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 55 190.544 -3.507 -0.097 1.00 0.00 H new ATOM 899 N THR A 56 189.229 -0.617 1.289 1.00 0.00 N ATOM 900 CA THR A 56 190.170 0.473 1.057 1.00 0.00 C ATOM 901 C THR A 56 191.608 -0.013 1.253 1.00 0.00 C ATOM 902 O THR A 56 191.832 -1.126 1.732 1.00 0.00 O ATOM 903 CB THR A 56 189.873 1.652 1.998 1.00 0.00 C ATOM 904 OG1 THR A 56 190.773 1.670 3.092 1.00 0.00 O ATOM 905 CG2 THR A 56 188.467 1.639 2.567 1.00 0.00 C ATOM 0 H THR A 56 188.952 -0.730 2.264 1.00 0.00 H new ATOM 0 HA THR A 56 190.054 0.814 0.028 1.00 0.00 H new ATOM 0 HB THR A 56 189.988 2.539 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 56 190.564 2.430 3.675 1.00 0.00 H new ATOM 0 HG21 THR A 56 188.331 2.500 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 56 187.744 1.685 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 56 188.314 0.723 3.137 1.00 0.00 H new ATOM 913 N PRO A 57 192.607 0.811 0.892 1.00 0.00 N ATOM 914 CA PRO A 57 194.018 0.442 1.041 1.00 0.00 C ATOM 915 C PRO A 57 194.452 0.399 2.501 1.00 0.00 C ATOM 916 O PRO A 57 195.376 -0.331 2.862 1.00 0.00 O ATOM 917 CB PRO A 57 194.759 1.548 0.289 1.00 0.00 C ATOM 918 CG PRO A 57 193.842 2.720 0.329 1.00 0.00 C ATOM 919 CD PRO A 57 192.446 2.161 0.320 1.00 0.00 C ATOM 0 HA PRO A 57 194.222 -0.557 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 57 195.713 1.777 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 57 194.976 1.251 -0.737 1.00 0.00 H new ATOM 0 HG2 PRO A 57 194.015 3.320 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 57 194.006 3.372 -0.529 1.00 0.00 H new ATOM 0 HD2 PRO A 57 191.767 2.770 0.916 1.00 0.00 H new ATOM 0 HD3 PRO A 57 192.037 2.122 -0.689 1.00 0.00 H new ATOM 927 N ASN A 58 193.777 1.179 3.338 1.00 0.00 N ATOM 928 CA ASN A 58 194.091 1.222 4.761 1.00 0.00 C ATOM 929 C ASN A 58 193.229 0.232 5.543 1.00 0.00 C ATOM 930 O ASN A 58 193.152 0.300 6.770 1.00 0.00 O ATOM 931 CB ASN A 58 193.889 2.636 5.310 1.00 0.00 C ATOM 932 CG ASN A 58 194.928 3.611 4.794 1.00 0.00 C ATOM 933 OD1 ASN A 58 195.936 3.867 5.452 1.00 0.00 O ATOM 934 ND2 ASN A 58 194.687 4.162 3.610 1.00 0.00 N ATOM 0 H ASN A 58 193.010 1.789 3.056 1.00 0.00 H new ATOM 0 HA ASN A 58 195.137 0.939 4.882 1.00 0.00 H new ATOM 0 HB2 ASN A 58 192.895 2.990 5.037 1.00 0.00 H new ATOM 0 HB3 ASN A 58 193.929 2.609 6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 58 195.351 4.826 3.212 1.00 0.00 H new ATOM 0 HD22 ASN A 58 193.838 3.921 3.099 1.00 0.00 H new ATOM 941 N GLY A 59 192.583 -0.687 4.828 1.00 0.00 N ATOM 942 CA GLY A 59 191.739 -1.671 5.479 1.00 0.00 C ATOM 943 C GLY A 59 190.383 -1.803 4.814 1.00 0.00 C ATOM 944 O GLY A 59 190.299 -2.052 3.610 1.00 0.00 O ATOM 0 H GLY A 59 192.630 -0.766 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 59 192.241 -2.639 5.469 1.00 0.00 H new ATOM 0 HA3 GLY A 59 191.602 -1.393 6.524 1.00 0.00 H new ATOM 948 N VAL A 60 189.324 -1.636 5.596 1.00 0.00 N ATOM 949 CA VAL A 60 187.965 -1.738 5.077 1.00 0.00 C ATOM 950 C VAL A 60 187.003 -0.882 5.895 1.00 0.00 C ATOM 951 O VAL A 60 186.845 -1.091 7.097 1.00 0.00 O ATOM 952 CB VAL A 60 187.463 -3.196 5.082 1.00 0.00 C ATOM 953 CG1 VAL A 60 186.214 -3.336 4.225 1.00 0.00 C ATOM 954 CG2 VAL A 60 188.552 -4.144 4.602 1.00 0.00 C ATOM 0 H VAL A 60 189.380 -1.429 6.593 1.00 0.00 H new ATOM 0 HA VAL A 60 187.993 -1.377 4.049 1.00 0.00 H new ATOM 0 HB VAL A 60 187.207 -3.464 6.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 185.876 -4.372 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 60 185.428 -2.691 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 60 186.442 -3.045 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 60 188.175 -5.167 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 60 188.845 -3.877 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 60 189.417 -4.068 5.261 1.00 0.00 H new ATOM 964 N LEU A 61 186.361 0.080 5.239 1.00 0.00 N ATOM 965 CA LEU A 61 185.416 0.961 5.914 1.00 0.00 C ATOM 966 C LEU A 61 184.045 0.298 6.021 1.00 0.00 C ATOM 967 O LEU A 61 183.405 0.007 5.011 1.00 0.00 O ATOM 968 CB LEU A 61 185.305 2.293 5.167 1.00 0.00 C ATOM 969 CG LEU A 61 185.964 3.485 5.866 1.00 0.00 C ATOM 970 CD1 LEU A 61 185.249 3.806 7.169 1.00 0.00 C ATOM 971 CD2 LEU A 61 187.438 3.202 6.116 1.00 0.00 C ATOM 0 H LEU A 61 186.478 0.268 4.243 1.00 0.00 H new ATOM 0 HA LEU A 61 185.785 1.154 6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 61 185.753 2.177 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 184.250 2.519 5.014 1.00 0.00 H new ATOM 0 HG LEU A 61 185.885 4.355 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 61 185.733 4.656 7.650 1.00 0.00 H new ATOM 0 HD12 LEU A 61 184.207 4.051 6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 61 185.293 2.941 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 61 187.894 4.058 6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 61 187.537 2.320 6.749 1.00 0.00 H new ATOM 0 HD23 LEU A 61 187.941 3.025 5.165 1.00 0.00 H new ATOM 983 N VAL A 62 183.607 0.051 7.252 1.00 0.00 N ATOM 984 CA VAL A 62 182.317 -0.588 7.489 1.00 0.00 C ATOM 985 C VAL A 62 181.215 0.445 7.689 1.00 0.00 C ATOM 986 O VAL A 62 181.188 1.156 8.694 1.00 0.00 O ATOM 987 CB VAL A 62 182.369 -1.514 8.722 1.00 0.00 C ATOM 988 CG1 VAL A 62 181.038 -2.229 8.916 1.00 0.00 C ATOM 989 CG2 VAL A 62 183.504 -2.516 8.582 1.00 0.00 C ATOM 0 H VAL A 62 184.125 0.283 8.099 1.00 0.00 H new ATOM 0 HA VAL A 62 182.093 -1.183 6.604 1.00 0.00 H new ATOM 0 HB VAL A 62 182.555 -0.903 9.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 181.097 -2.877 9.791 1.00 0.00 H new ATOM 0 HG12 VAL A 62 180.247 -1.493 9.062 1.00 0.00 H new ATOM 0 HG13 VAL A 62 180.816 -2.830 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 62 183.529 -3.163 9.459 1.00 0.00 H new ATOM 0 HG22 VAL A 62 183.347 -3.121 7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 62 184.451 -1.983 8.497 1.00 0.00 H new ATOM 999 N ALA A 63 180.306 0.518 6.725 1.00 0.00 N ATOM 1000 CA ALA A 63 179.197 1.461 6.789 1.00 0.00 C ATOM 1001 C ALA A 63 177.964 0.808 7.408 1.00 0.00 C ATOM 1002 O ALA A 63 177.241 0.066 6.741 1.00 0.00 O ATOM 1003 CB ALA A 63 178.879 1.988 5.399 1.00 0.00 C ATOM 0 H ALA A 63 180.315 -0.065 5.888 1.00 0.00 H new ATOM 0 HA ALA A 63 179.491 2.297 7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 63 178.049 2.692 5.458 1.00 0.00 H new ATOM 0 HB2 ALA A 63 179.755 2.493 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 63 178.605 1.157 4.749 1.00 0.00 H new ATOM 1009 N SER A 64 177.731 1.084 8.686 1.00 0.00 N ATOM 1010 CA SER A 64 176.588 0.518 9.393 1.00 0.00 C ATOM 1011 C SER A 64 175.450 1.528 9.490 1.00 0.00 C ATOM 1012 O SER A 64 175.527 2.499 10.243 1.00 0.00 O ATOM 1013 CB SER A 64 177.000 0.065 10.794 1.00 0.00 C ATOM 1014 OG SER A 64 178.393 -0.195 10.857 1.00 0.00 O ATOM 0 H SER A 64 178.318 1.696 9.253 1.00 0.00 H new ATOM 0 HA SER A 64 176.237 -0.345 8.827 1.00 0.00 H new ATOM 0 HB2 SER A 64 176.737 0.834 11.520 1.00 0.00 H new ATOM 0 HB3 SER A 64 176.446 -0.833 11.067 1.00 0.00 H new ATOM 0 HG SER A 64 178.632 -0.481 11.763 1.00 0.00 H new ATOM 1020 N GLY A 65 174.393 1.292 8.722 1.00 0.00 N ATOM 1021 CA GLY A 65 173.250 2.187 8.736 1.00 0.00 C ATOM 1022 C GLY A 65 171.936 1.450 8.910 1.00 0.00 C ATOM 1023 O GLY A 65 171.408 0.874 7.960 1.00 0.00 O ATOM 0 H GLY A 65 174.306 0.497 8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 65 173.368 2.909 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 65 173.225 2.753 7.805 1.00 0.00 H new ATOM 1027 N LYS A 66 171.405 1.471 10.127 1.00 0.00 N ATOM 1028 CA LYS A 66 170.142 0.802 10.422 1.00 0.00 C ATOM 1029 C LYS A 66 169.038 1.825 10.668 1.00 0.00 C ATOM 1030 O LYS A 66 169.262 2.846 11.318 1.00 0.00 O ATOM 1031 CB LYS A 66 170.279 -0.126 11.640 1.00 0.00 C ATOM 1032 CG LYS A 66 171.638 -0.066 12.329 1.00 0.00 C ATOM 1033 CD LYS A 66 171.722 1.104 13.298 1.00 0.00 C ATOM 1034 CE LYS A 66 173.115 1.237 13.893 1.00 0.00 C ATOM 1035 NZ LYS A 66 174.041 1.965 12.983 1.00 0.00 N ATOM 0 H LYS A 66 171.829 1.944 10.926 1.00 0.00 H new ATOM 0 HA LYS A 66 169.876 0.196 9.556 1.00 0.00 H new ATOM 0 HB2 LYS A 66 169.506 0.130 12.365 1.00 0.00 H new ATOM 0 HB3 LYS A 66 170.091 -1.152 11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 66 171.816 -0.998 12.866 1.00 0.00 H new ATOM 0 HG3 LYS A 66 172.424 0.025 11.579 1.00 0.00 H new ATOM 0 HD2 LYS A 66 171.457 2.026 12.780 1.00 0.00 H new ATOM 0 HD3 LYS A 66 170.995 0.967 14.099 1.00 0.00 H new ATOM 0 HE2 LYS A 66 173.054 1.763 14.846 1.00 0.00 H new ATOM 0 HE3 LYS A 66 173.517 0.245 14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 174.980 2.034 13.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 174.120 1.450 12.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 173.672 2.920 12.804 1.00 0.00 H new ATOM 1049 N HIS A 67 167.847 1.551 10.140 1.00 0.00 N ATOM 1050 CA HIS A 67 166.718 2.463 10.308 1.00 0.00 C ATOM 1051 C HIS A 67 165.430 1.868 9.742 1.00 0.00 C ATOM 1052 O HIS A 67 165.462 1.060 8.813 1.00 0.00 O ATOM 1053 CB HIS A 67 167.019 3.802 9.629 1.00 0.00 C ATOM 1054 CG HIS A 67 166.822 4.987 10.523 1.00 0.00 C ATOM 1055 ND1 HIS A 67 167.452 5.123 11.743 1.00 0.00 N ATOM 1056 CD2 HIS A 67 166.061 6.096 10.369 1.00 0.00 C ATOM 1057 CE1 HIS A 67 167.086 6.264 12.301 1.00 0.00 C ATOM 1058 NE2 HIS A 67 166.243 6.872 11.487 1.00 0.00 N ATOM 0 H HIS A 67 167.640 0.713 9.597 1.00 0.00 H new ATOM 0 HA HIS A 67 166.573 2.623 11.376 1.00 0.00 H new ATOM 0 HB2 HIS A 67 168.049 3.795 9.271 1.00 0.00 H new ATOM 0 HB3 HIS A 67 166.378 3.908 8.754 1.00 0.00 H new ATOM 0 HD1 HIS A 67 168.099 4.448 12.151 1.00 0.00 H new ATOM 0 HD2 HIS A 67 165.429 6.327 9.524 1.00 0.00 H new ATOM 0 HE1 HIS A 67 167.419 6.635 13.259 1.00 0.00 H new ATOM 1067 N GLU A 68 164.299 2.276 10.311 1.00 0.00 N ATOM 1068 CA GLU A 68 162.994 1.789 9.874 1.00 0.00 C ATOM 1069 C GLU A 68 162.756 2.087 8.396 1.00 0.00 C ATOM 1070 O GLU A 68 162.014 1.374 7.721 1.00 0.00 O ATOM 1071 CB GLU A 68 161.884 2.423 10.714 1.00 0.00 C ATOM 1072 CG GLU A 68 162.128 2.339 12.213 1.00 0.00 C ATOM 1073 CD GLU A 68 160.884 1.942 12.984 1.00 0.00 C ATOM 1074 OE1 GLU A 68 159.871 2.667 12.890 1.00 0.00 O ATOM 1075 OE2 GLU A 68 160.923 0.906 13.680 1.00 0.00 O ATOM 0 H GLU A 68 164.260 2.946 11.079 1.00 0.00 H new ATOM 0 HA GLU A 68 162.980 0.708 10.011 1.00 0.00 H new ATOM 0 HB2 GLU A 68 161.779 3.470 10.430 1.00 0.00 H new ATOM 0 HB3 GLU A 68 160.939 1.933 10.481 1.00 0.00 H new ATOM 0 HG2 GLU A 68 162.919 1.615 12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 68 162.483 3.304 12.574 1.00 0.00 H new ATOM 1082 N ASP A 69 163.384 3.146 7.898 1.00 0.00 N ATOM 1083 CA ASP A 69 163.229 3.533 6.502 1.00 0.00 C ATOM 1084 C ASP A 69 164.437 3.098 5.677 1.00 0.00 C ATOM 1085 O ASP A 69 165.579 3.177 6.132 1.00 0.00 O ATOM 1086 CB ASP A 69 163.034 5.044 6.398 1.00 0.00 C ATOM 1087 CG ASP A 69 161.618 5.424 6.013 1.00 0.00 C ATOM 1088 OD1 ASP A 69 161.009 4.703 5.194 1.00 0.00 O ATOM 1089 OD2 ASP A 69 161.119 6.447 6.528 1.00 0.00 O ATOM 0 H ASP A 69 164.003 3.750 8.439 1.00 0.00 H new ATOM 0 HA ASP A 69 162.348 3.031 6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 69 163.283 5.505 7.354 1.00 0.00 H new ATOM 0 HB3 ASP A 69 163.728 5.446 5.660 1.00 0.00 H new ATOM 1094 N MET A 70 164.173 2.641 4.459 1.00 0.00 N ATOM 1095 CA MET A 70 165.227 2.191 3.558 1.00 0.00 C ATOM 1096 C MET A 70 166.245 3.306 3.306 1.00 0.00 C ATOM 1097 O MET A 70 167.411 3.191 3.685 1.00 0.00 O ATOM 1098 CB MET A 70 164.589 1.696 2.244 1.00 0.00 C ATOM 1099 CG MET A 70 165.403 1.946 0.981 1.00 0.00 C ATOM 1100 SD MET A 70 164.644 3.181 -0.091 1.00 0.00 S ATOM 1101 CE MET A 70 164.429 2.243 -1.599 1.00 0.00 C ATOM 0 H MET A 70 163.232 2.572 4.071 1.00 0.00 H new ATOM 0 HA MET A 70 165.771 1.365 4.017 1.00 0.00 H new ATOM 0 HB2 MET A 70 164.407 0.625 2.331 1.00 0.00 H new ATOM 0 HB3 MET A 70 163.617 2.177 2.129 1.00 0.00 H new ATOM 0 HG2 MET A 70 166.405 2.274 1.257 1.00 0.00 H new ATOM 0 HG3 MET A 70 165.514 1.011 0.432 1.00 0.00 H new ATOM 0 HE1 MET A 70 163.570 2.628 -2.148 1.00 0.00 H new ATOM 0 HE2 MET A 70 165.324 2.335 -2.215 1.00 0.00 H new ATOM 0 HE3 MET A 70 164.263 1.194 -1.354 1.00 0.00 H new ATOM 1111 N TYR A 71 165.796 4.377 2.667 1.00 0.00 N ATOM 1112 CA TYR A 71 166.665 5.514 2.360 1.00 0.00 C ATOM 1113 C TYR A 71 167.415 5.996 3.602 1.00 0.00 C ATOM 1114 O TYR A 71 168.630 6.183 3.567 1.00 0.00 O ATOM 1115 CB TYR A 71 165.855 6.666 1.754 1.00 0.00 C ATOM 1116 CG TYR A 71 165.696 6.600 0.244 1.00 0.00 C ATOM 1117 CD1 TYR A 71 166.420 5.693 -0.527 1.00 0.00 C ATOM 1118 CD2 TYR A 71 164.821 7.457 -0.411 1.00 0.00 C ATOM 1119 CE1 TYR A 71 166.272 5.643 -1.899 1.00 0.00 C ATOM 1120 CE2 TYR A 71 164.669 7.413 -1.785 1.00 0.00 C ATOM 1121 CZ TYR A 71 165.396 6.504 -2.523 1.00 0.00 C ATOM 1122 OH TYR A 71 165.248 6.459 -3.891 1.00 0.00 O ATOM 0 H TYR A 71 164.833 4.486 2.349 1.00 0.00 H new ATOM 0 HA TYR A 71 167.401 5.176 1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 71 164.865 6.677 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 71 166.337 7.608 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 71 167.109 5.017 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 71 164.249 8.171 0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 71 166.840 4.932 -2.480 1.00 0.00 H new ATOM 0 HE2 TYR A 71 163.984 8.088 -2.277 1.00 0.00 H new ATOM 0 HH TYR A 71 164.592 7.131 -4.171 1.00 0.00 H new ATOM 1132 N THR A 72 166.694 6.192 4.703 1.00 0.00 N ATOM 1133 CA THR A 72 167.322 6.643 5.941 1.00 0.00 C ATOM 1134 C THR A 72 168.457 5.703 6.334 1.00 0.00 C ATOM 1135 O THR A 72 169.424 6.112 6.977 1.00 0.00 O ATOM 1136 CB THR A 72 166.297 6.718 7.077 1.00 0.00 C ATOM 1137 OG1 THR A 72 165.582 5.500 7.196 1.00 0.00 O ATOM 1138 CG2 THR A 72 165.289 7.835 6.902 1.00 0.00 C ATOM 0 H THR A 72 165.686 6.048 4.764 1.00 0.00 H new ATOM 0 HA THR A 72 167.726 7.641 5.769 1.00 0.00 H new ATOM 0 HB THR A 72 166.880 6.917 7.976 1.00 0.00 H new ATOM 0 HG1 THR A 72 166.008 4.815 6.639 1.00 0.00 H new ATOM 0 HG21 THR A 72 164.593 7.832 7.741 1.00 0.00 H new ATOM 0 HG22 THR A 72 165.809 8.792 6.866 1.00 0.00 H new ATOM 0 HG23 THR A 72 164.739 7.686 5.973 1.00 0.00 H new ATOM 1146 N ALA A 73 168.333 4.439 5.934 1.00 0.00 N ATOM 1147 CA ALA A 73 169.345 3.438 6.235 1.00 0.00 C ATOM 1148 C ALA A 73 170.635 3.720 5.472 1.00 0.00 C ATOM 1149 O ALA A 73 171.715 3.783 6.064 1.00 0.00 O ATOM 1150 CB ALA A 73 168.824 2.047 5.905 1.00 0.00 C ATOM 0 H ALA A 73 167.539 4.087 5.400 1.00 0.00 H new ATOM 0 HA ALA A 73 169.567 3.486 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 73 169.591 1.307 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 73 167.933 1.842 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 73 168.575 1.994 4.845 1.00 0.00 H new ATOM 1156 N ILE A 74 170.519 3.898 4.160 1.00 0.00 N ATOM 1157 CA ILE A 74 171.689 4.184 3.329 1.00 0.00 C ATOM 1158 C ILE A 74 172.192 5.604 3.574 1.00 0.00 C ATOM 1159 O ILE A 74 173.376 5.890 3.403 1.00 0.00 O ATOM 1160 CB ILE A 74 171.430 3.995 1.809 1.00 0.00 C ATOM 1161 CG1 ILE A 74 169.942 4.144 1.460 1.00 0.00 C ATOM 1162 CG2 ILE A 74 171.956 2.643 1.345 1.00 0.00 C ATOM 1163 CD1 ILE A 74 169.143 2.862 1.580 1.00 0.00 C ATOM 0 H ILE A 74 169.637 3.850 3.651 1.00 0.00 H new ATOM 0 HA ILE A 74 172.444 3.456 3.626 1.00 0.00 H new ATOM 0 HB ILE A 74 171.968 4.783 1.283 1.00 0.00 H new ATOM 0 HG12 ILE A 74 169.501 4.896 2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 74 169.856 4.518 0.440 1.00 0.00 H new ATOM 0 HG21 ILE A 74 171.767 2.526 0.278 1.00 0.00 H new ATOM 0 HG22 ILE A 74 173.028 2.586 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 74 171.450 1.848 1.893 1.00 0.00 H new ATOM 0 HD11 ILE A 74 168.103 3.055 1.316 1.00 0.00 H new ATOM 0 HD12 ILE A 74 169.555 2.112 0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 74 169.195 2.496 2.605 1.00 0.00 H new ATOM 1175 N ASN A 75 171.288 6.487 3.989 1.00 0.00 N ATOM 1176 CA ASN A 75 171.648 7.874 4.267 1.00 0.00 C ATOM 1177 C ASN A 75 172.607 7.948 5.452 1.00 0.00 C ATOM 1178 O ASN A 75 173.777 8.300 5.298 1.00 0.00 O ATOM 1179 CB ASN A 75 170.394 8.703 4.557 1.00 0.00 C ATOM 1180 CG ASN A 75 169.940 9.502 3.351 1.00 0.00 C ATOM 1181 OD1 ASN A 75 169.538 10.659 3.473 1.00 0.00 O ATOM 1182 ND2 ASN A 75 169.998 8.884 2.175 1.00 0.00 N ATOM 0 H ASN A 75 170.303 6.268 4.140 1.00 0.00 H new ATOM 0 HA ASN A 75 172.144 8.283 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 75 169.589 8.041 4.875 1.00 0.00 H new ATOM 0 HB3 ASN A 75 170.594 9.382 5.386 1.00 0.00 H new ATOM 0 HD21 ASN A 75 169.702 9.370 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 75 170.338 7.924 2.120 1.00 0.00 H new ATOM 1189 N GLU A 76 172.106 7.602 6.633 1.00 0.00 N ATOM 1190 CA GLU A 76 172.921 7.619 7.843 1.00 0.00 C ATOM 1191 C GLU A 76 174.145 6.722 7.670 1.00 0.00 C ATOM 1192 O GLU A 76 175.189 6.954 8.280 1.00 0.00 O ATOM 1193 CB GLU A 76 172.096 7.153 9.045 1.00 0.00 C ATOM 1194 CG GLU A 76 171.608 8.294 9.924 1.00 0.00 C ATOM 1195 CD GLU A 76 170.678 9.239 9.191 1.00 0.00 C ATOM 1196 OE1 GLU A 76 170.884 9.454 7.979 1.00 0.00 O ATOM 1197 OE2 GLU A 76 169.744 9.767 9.830 1.00 0.00 O ATOM 0 H GLU A 76 171.141 7.307 6.778 1.00 0.00 H new ATOM 0 HA GLU A 76 173.256 8.641 8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 76 171.236 6.586 8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 76 172.698 6.473 9.647 1.00 0.00 H new ATOM 0 HG2 GLU A 76 171.092 7.884 10.792 1.00 0.00 H new ATOM 0 HG3 GLU A 76 172.466 8.852 10.298 1.00 0.00 H new ATOM 1204 N LEU A 77 174.006 5.698 6.831 1.00 0.00 N ATOM 1205 CA LEU A 77 175.093 4.764 6.568 1.00 0.00 C ATOM 1206 C LEU A 77 176.337 5.494 6.070 1.00 0.00 C ATOM 1207 O LEU A 77 177.371 5.508 6.739 1.00 0.00 O ATOM 1208 CB LEU A 77 174.648 3.721 5.538 1.00 0.00 C ATOM 1209 CG LEU A 77 175.769 2.860 4.953 1.00 0.00 C ATOM 1210 CD1 LEU A 77 175.275 1.448 4.681 1.00 0.00 C ATOM 1211 CD2 LEU A 77 176.314 3.493 3.679 1.00 0.00 C ATOM 0 H LEU A 77 173.146 5.495 6.321 1.00 0.00 H new ATOM 0 HA LEU A 77 175.346 4.263 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 77 173.914 3.064 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 77 174.142 4.235 4.720 1.00 0.00 H new ATOM 0 HG LEU A 77 176.576 2.803 5.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 176.087 0.852 4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 77 174.933 0.996 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 77 174.449 1.482 3.970 1.00 0.00 H new ATOM 0 HD21 LEU A 77 177.111 2.869 3.275 1.00 0.00 H new ATOM 0 HD22 LEU A 77 175.513 3.580 2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 77 176.708 4.484 3.905 1.00 0.00 H new ATOM 1223 N ILE A 78 176.234 6.094 4.885 1.00 0.00 N ATOM 1224 CA ILE A 78 177.353 6.815 4.295 1.00 0.00 C ATOM 1225 C ILE A 78 177.865 7.912 5.225 1.00 0.00 C ATOM 1226 O ILE A 78 179.060 8.207 5.255 1.00 0.00 O ATOM 1227 CB ILE A 78 176.973 7.429 2.928 1.00 0.00 C ATOM 1228 CG1 ILE A 78 178.232 7.834 2.160 1.00 0.00 C ATOM 1229 CG2 ILE A 78 176.044 8.623 3.104 1.00 0.00 C ATOM 1230 CD1 ILE A 78 179.027 6.655 1.644 1.00 0.00 C ATOM 0 H ILE A 78 175.386 6.093 4.318 1.00 0.00 H new ATOM 0 HA ILE A 78 178.150 6.087 4.142 1.00 0.00 H new ATOM 0 HB ILE A 78 176.440 6.673 2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 78 177.948 8.467 1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 78 178.868 8.435 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 78 175.793 9.036 2.127 1.00 0.00 H new ATOM 0 HG22 ILE A 78 175.132 8.303 3.608 1.00 0.00 H new ATOM 0 HG23 ILE A 78 176.541 9.386 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 78 179.906 7.015 1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 78 179.341 6.033 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 78 178.407 6.066 0.968 1.00 0.00 H new ATOM 1242 N ASN A 79 176.955 8.513 5.988 1.00 0.00 N ATOM 1243 CA ASN A 79 177.321 9.578 6.921 1.00 0.00 C ATOM 1244 C ASN A 79 178.441 9.123 7.854 1.00 0.00 C ATOM 1245 O ASN A 79 179.582 9.573 7.739 1.00 0.00 O ATOM 1246 CB ASN A 79 176.103 10.009 7.738 1.00 0.00 C ATOM 1247 CG ASN A 79 175.010 10.605 6.874 1.00 0.00 C ATOM 1248 OD1 ASN A 79 175.204 10.842 5.681 1.00 0.00 O ATOM 1249 ND2 ASN A 79 173.849 10.849 7.472 1.00 0.00 N ATOM 0 H ASN A 79 175.961 8.282 5.979 1.00 0.00 H new ATOM 0 HA ASN A 79 177.679 10.429 6.341 1.00 0.00 H new ATOM 0 HB2 ASN A 79 175.707 9.148 8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 79 176.411 10.740 8.486 1.00 0.00 H new ATOM 0 HD21 ASN A 79 173.075 11.248 6.940 1.00 0.00 H new ATOM 0 HD22 ASN A 79 173.731 10.637 8.463 1.00 0.00 H new ATOM 1256 N LYS A 80 178.109 8.222 8.776 1.00 0.00 N ATOM 1257 CA LYS A 80 179.089 7.702 9.723 1.00 0.00 C ATOM 1258 C LYS A 80 180.266 7.069 8.987 1.00 0.00 C ATOM 1259 O LYS A 80 181.396 7.077 9.473 1.00 0.00 O ATOM 1260 CB LYS A 80 178.438 6.674 10.650 1.00 0.00 C ATOM 1261 CG LYS A 80 177.453 7.281 11.637 1.00 0.00 C ATOM 1262 CD LYS A 80 178.036 7.359 13.040 1.00 0.00 C ATOM 1263 CE LYS A 80 178.099 8.793 13.546 1.00 0.00 C ATOM 1264 NZ LYS A 80 179.503 9.264 13.705 1.00 0.00 N ATOM 0 H LYS A 80 177.170 7.838 8.886 1.00 0.00 H new ATOM 0 HA LYS A 80 179.460 8.534 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 80 177.921 5.928 10.046 1.00 0.00 H new ATOM 0 HB3 LYS A 80 179.218 6.151 11.203 1.00 0.00 H new ATOM 0 HG2 LYS A 80 177.173 8.280 11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 80 176.541 6.684 11.655 1.00 0.00 H new ATOM 0 HD2 LYS A 80 177.430 6.760 13.720 1.00 0.00 H new ATOM 0 HD3 LYS A 80 179.037 6.928 13.042 1.00 0.00 H new ATOM 0 HE2 LYS A 80 177.573 9.447 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 80 177.582 8.864 14.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 179.503 10.245 14.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 179.998 8.656 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 179.990 9.221 12.787 1.00 0.00 H new ATOM 1278 N LEU A 81 179.988 6.527 7.806 1.00 0.00 N ATOM 1279 CA LEU A 81 181.015 5.893 6.989 1.00 0.00 C ATOM 1280 C LEU A 81 182.117 6.888 6.640 1.00 0.00 C ATOM 1281 O LEU A 81 183.300 6.620 6.849 1.00 0.00 O ATOM 1282 CB LEU A 81 180.391 5.336 5.706 1.00 0.00 C ATOM 1283 CG LEU A 81 181.155 4.186 5.048 1.00 0.00 C ATOM 1284 CD1 LEU A 81 180.534 3.842 3.704 1.00 0.00 C ATOM 1285 CD2 LEU A 81 182.624 4.544 4.881 1.00 0.00 C ATOM 0 H LEU A 81 179.056 6.515 7.392 1.00 0.00 H new ATOM 0 HA LEU A 81 181.455 5.076 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 81 179.381 4.995 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 81 180.300 6.148 4.985 1.00 0.00 H new ATOM 0 HG LEU A 81 181.089 3.312 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 81 181.088 3.022 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 81 179.496 3.543 3.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 180.573 4.714 3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 81 183.150 3.713 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 182.713 5.431 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 183.063 4.745 5.858 1.00 0.00 H new ATOM 1297 N GLU A 82 181.719 8.038 6.103 1.00 0.00 N ATOM 1298 CA GLU A 82 182.670 9.076 5.720 1.00 0.00 C ATOM 1299 C GLU A 82 183.510 9.516 6.916 1.00 0.00 C ATOM 1300 O GLU A 82 184.736 9.598 6.826 1.00 0.00 O ATOM 1301 CB GLU A 82 181.934 10.278 5.123 1.00 0.00 C ATOM 1302 CG GLU A 82 182.116 10.416 3.620 1.00 0.00 C ATOM 1303 CD GLU A 82 181.001 11.207 2.965 1.00 0.00 C ATOM 1304 OE1 GLU A 82 180.702 12.321 3.446 1.00 0.00 O ATOM 1305 OE2 GLU A 82 180.427 10.713 1.973 1.00 0.00 O ATOM 0 H GLU A 82 180.743 8.274 5.923 1.00 0.00 H new ATOM 0 HA GLU A 82 183.339 8.660 4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 82 180.871 10.190 5.346 1.00 0.00 H new ATOM 0 HB3 GLU A 82 182.287 11.188 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 82 183.069 10.904 3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 82 182.164 9.424 3.171 1.00 0.00 H new ATOM 1312 N ARG A 83 182.851 9.802 8.034 1.00 0.00 N ATOM 1313 CA ARG A 83 183.550 10.234 9.242 1.00 0.00 C ATOM 1314 C ARG A 83 184.676 9.265 9.595 1.00 0.00 C ATOM 1315 O ARG A 83 185.826 9.671 9.767 1.00 0.00 O ATOM 1316 CB ARG A 83 182.574 10.351 10.414 1.00 0.00 C ATOM 1317 CG ARG A 83 182.959 11.431 11.414 1.00 0.00 C ATOM 1318 CD ARG A 83 182.555 11.067 12.838 1.00 0.00 C ATOM 1319 NE ARG A 83 182.753 9.649 13.137 1.00 0.00 N ATOM 1320 CZ ARG A 83 183.942 9.050 13.163 1.00 0.00 C ATOM 1321 NH1 ARG A 83 185.048 9.739 12.914 1.00 0.00 N ATOM 1322 NH2 ARG A 83 184.026 7.759 13.448 1.00 0.00 N ATOM 0 H ARG A 83 181.837 9.743 8.130 1.00 0.00 H new ATOM 0 HA ARG A 83 183.985 11.214 9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 83 181.577 10.563 10.027 1.00 0.00 H new ATOM 0 HB3 ARG A 83 182.519 9.392 10.929 1.00 0.00 H new ATOM 0 HG2 ARG A 83 184.036 11.594 11.374 1.00 0.00 H new ATOM 0 HG3 ARG A 83 182.484 12.371 11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 83 183.135 11.666 13.540 1.00 0.00 H new ATOM 0 HD3 ARG A 83 181.507 11.323 12.990 1.00 0.00 H new ATOM 0 HE ARG A 83 181.928 9.083 13.338 1.00 0.00 H new ATOM 0 HH11 ARG A 83 184.991 10.735 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 83 185.955 9.273 12.936 1.00 0.00 H new ATOM 0 HH21 ARG A 83 183.180 7.225 13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 83 184.936 7.299 13.468 1.00 0.00 H new ATOM 1336 N GLN A 84 184.337 7.985 9.692 1.00 0.00 N ATOM 1337 CA GLN A 84 185.320 6.956 10.013 1.00 0.00 C ATOM 1338 C GLN A 84 186.382 6.880 8.921 1.00 0.00 C ATOM 1339 O GLN A 84 187.569 6.694 9.199 1.00 0.00 O ATOM 1340 CB GLN A 84 184.625 5.601 10.168 1.00 0.00 C ATOM 1341 CG GLN A 84 185.505 4.524 10.780 1.00 0.00 C ATOM 1342 CD GLN A 84 185.271 3.158 10.162 1.00 0.00 C ATOM 1343 OE1 GLN A 84 184.020 2.867 9.815 1.00 0.00 O flip ATOM 1344 NE2 GLN A 84 186.204 2.371 10.000 1.00 0.00 N flip ATOM 0 H GLN A 84 183.389 7.634 9.553 1.00 0.00 H new ATOM 0 HA GLN A 84 185.806 7.215 10.954 1.00 0.00 H new ATOM 0 HB2 GLN A 84 183.738 5.728 10.789 1.00 0.00 H new ATOM 0 HB3 GLN A 84 184.284 5.265 9.189 1.00 0.00 H new ATOM 0 HG2 GLN A 84 186.552 4.801 10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 84 185.315 4.471 11.852 1.00 0.00 H new ATOM 0 HE21 GLN A 84 187.148 2.635 10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 84 186.032 1.455 9.585 1.00 0.00 H new ATOM 1353 N LEU A 85 185.942 7.035 7.677 1.00 0.00 N ATOM 1354 CA LEU A 85 186.836 6.996 6.527 1.00 0.00 C ATOM 1355 C LEU A 85 187.918 8.067 6.656 1.00 0.00 C ATOM 1356 O LEU A 85 189.110 7.767 6.603 1.00 0.00 O ATOM 1357 CB LEU A 85 186.023 7.194 5.238 1.00 0.00 C ATOM 1358 CG LEU A 85 186.812 7.628 3.995 1.00 0.00 C ATOM 1359 CD1 LEU A 85 187.046 6.445 3.066 1.00 0.00 C ATOM 1360 CD2 LEU A 85 186.073 8.742 3.264 1.00 0.00 C ATOM 0 H LEU A 85 184.962 7.190 7.439 1.00 0.00 H new ATOM 0 HA LEU A 85 187.329 6.024 6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 85 185.512 6.259 5.009 1.00 0.00 H new ATOM 0 HB3 LEU A 85 185.252 7.940 5.431 1.00 0.00 H new ATOM 0 HG LEU A 85 187.783 8.005 4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 85 187.607 6.775 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 85 187.612 5.676 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 85 186.087 6.036 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 85 186.643 9.041 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 85 185.090 8.385 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 85 185.956 9.598 3.928 1.00 0.00 H new ATOM 1372 N ASN A 86 187.491 9.315 6.822 1.00 0.00 N ATOM 1373 CA ASN A 86 188.418 10.436 6.958 1.00 0.00 C ATOM 1374 C ASN A 86 189.428 10.190 8.076 1.00 0.00 C ATOM 1375 O ASN A 86 190.595 10.560 7.963 1.00 0.00 O ATOM 1376 CB ASN A 86 187.651 11.733 7.233 1.00 0.00 C ATOM 1377 CG ASN A 86 186.432 11.889 6.347 1.00 0.00 C ATOM 1378 OD1 ASN A 86 186.179 11.065 5.470 1.00 0.00 O ATOM 1379 ND2 ASN A 86 185.667 12.951 6.574 1.00 0.00 N ATOM 0 H ASN A 86 186.506 9.577 6.866 1.00 0.00 H new ATOM 0 HA ASN A 86 188.962 10.530 6.018 1.00 0.00 H new ATOM 0 HB2 ASN A 86 187.341 11.753 8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 86 188.316 12.583 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 86 184.832 13.108 6.010 1.00 0.00 H new ATOM 0 HD22 ASN A 86 185.915 13.609 7.313 1.00 0.00 H new ATOM 1386 N LYS A 87 188.966 9.572 9.159 1.00 0.00 N ATOM 1387 CA LYS A 87 189.827 9.286 10.303 1.00 0.00 C ATOM 1388 C LYS A 87 191.043 8.458 9.894 1.00 0.00 C ATOM 1389 O LYS A 87 192.179 8.923 9.982 1.00 0.00 O ATOM 1390 CB LYS A 87 189.037 8.557 11.395 1.00 0.00 C ATOM 1391 CG LYS A 87 189.894 8.043 12.547 1.00 0.00 C ATOM 1392 CD LYS A 87 190.925 9.071 12.991 1.00 0.00 C ATOM 1393 CE LYS A 87 191.912 8.479 13.984 1.00 0.00 C ATOM 1394 NZ LYS A 87 191.222 7.796 15.114 1.00 0.00 N ATOM 0 H LYS A 87 188.001 9.260 9.269 1.00 0.00 H new ATOM 0 HA LYS A 87 190.185 10.238 10.695 1.00 0.00 H new ATOM 0 HB2 LYS A 87 188.280 9.233 11.793 1.00 0.00 H new ATOM 0 HB3 LYS A 87 188.509 7.716 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 87 189.252 7.785 13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 87 190.402 7.128 12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 87 191.464 9.446 12.121 1.00 0.00 H new ATOM 0 HD3 LYS A 87 190.419 9.923 13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 87 192.560 7.768 13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 87 192.552 9.270 14.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 191.903 7.616 15.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 190.454 8.401 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 190.826 6.893 14.784 1.00 0.00 H new ATOM 1408 N LEU A 88 190.801 7.225 9.459 1.00 0.00 N ATOM 1409 CA LEU A 88 191.886 6.337 9.052 1.00 0.00 C ATOM 1410 C LEU A 88 192.506 6.766 7.723 1.00 0.00 C ATOM 1411 O LEU A 88 193.500 6.189 7.284 1.00 0.00 O ATOM 1412 CB LEU A 88 191.385 4.895 8.956 1.00 0.00 C ATOM 1413 CG LEU A 88 190.320 4.641 7.889 1.00 0.00 C ATOM 1414 CD1 LEU A 88 190.964 4.486 6.521 1.00 0.00 C ATOM 1415 CD2 LEU A 88 189.499 3.409 8.243 1.00 0.00 C ATOM 0 H LEU A 88 189.869 6.819 9.379 1.00 0.00 H new ATOM 0 HA LEU A 88 192.662 6.400 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 88 192.237 4.245 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 88 190.981 4.603 9.925 1.00 0.00 H new ATOM 0 HG LEU A 88 189.650 5.500 7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 88 190.191 4.306 5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 88 191.507 5.397 6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 88 191.656 3.644 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 88 188.745 3.241 7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 88 190.154 2.540 8.304 1.00 0.00 H new ATOM 0 HD23 LEU A 88 189.009 3.562 9.204 1.00 0.00 H new