USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 634 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 33 THR OG1 : rot 41:sc= 1.03 USER MOD Set 1.2: A 38 LYS NZ :NH3+ -124:sc= -1.47 (180deg=-4.04!) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.0726) USER MOD Single : A 1 MET N :NH3+ -144:sc= 1.41 (180deg=0.542) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0.417 X(o=0.42,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.16) USER MOD Single : A 42 GLN : amide:sc= 0.207 X(o=0.21,f=-0.047) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 45 LYS NZ :NH3+ 179:sc= 0.302 (180deg=0.301) USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00604) USER MOD Single : A 50 MET CE :methyl 172:sc= -0.255 (180deg=-0.307) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= 0.375 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 133:sc= -0.413 (180deg=-1.9) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 164:sc= 1.65 (180deg=1.43) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc=-0.00849 X(o=-0.0085,f=-0.0072) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.172 K(o=-0.17,f=-0.99) USER MOD Single : A 75 HIS : no HD1:sc=-0.00892 X(o=-0.0089,f=-0.013) USER MOD Single : A 76 HIS : no HD1:sc= -0.376 X(o=-0.38,f=-0.17) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.019 12.753 -6.765 1.00 24.11 N ATOM 2 CA MET A 1 0.365 12.083 -5.491 1.00 3.32 C ATOM 3 C MET A 1 1.737 11.411 -5.591 1.00 74.24 C ATOM 4 O MET A 1 2.349 11.385 -6.668 1.00 45.33 O ATOM 5 CB MET A 1 -0.724 11.034 -5.118 1.00 74.33 C ATOM 6 CG MET A 1 -0.816 9.802 -6.045 1.00 25.30 C ATOM 7 SD MET A 1 -1.335 10.208 -7.732 1.00 23.41 S ATOM 8 CE MET A 1 -3.063 10.645 -7.511 1.00 51.51 C ATOM 0 H1 MET A 1 -0.501 13.631 -6.565 1.00 24.11 H new ATOM 0 H2 MET A 1 0.890 12.977 -7.287 1.00 24.11 H new ATOM 0 H3 MET A 1 -0.576 12.122 -7.339 1.00 24.11 H new ATOM 0 HA MET A 1 0.407 12.838 -4.706 1.00 3.32 H new ATOM 0 HB2 MET A 1 -0.535 10.687 -4.102 1.00 74.33 H new ATOM 0 HB3 MET A 1 -1.694 11.532 -5.110 1.00 74.33 H new ATOM 0 HG2 MET A 1 0.156 9.310 -6.080 1.00 25.30 H new ATOM 0 HG3 MET A 1 -1.520 9.087 -5.618 1.00 25.30 H new ATOM 0 HE1 MET A 1 -3.537 10.759 -8.486 1.00 51.51 H new ATOM 0 HE2 MET A 1 -3.569 9.858 -6.951 1.00 51.51 H new ATOM 0 HE3 MET A 1 -3.133 11.584 -6.962 1.00 51.51 H new ATOM 20 N VAL A 2 2.231 10.889 -4.453 1.00 70.21 N ATOM 21 CA VAL A 2 3.346 9.935 -4.447 1.00 35.44 C ATOM 22 C VAL A 2 2.734 8.542 -4.641 1.00 13.12 C ATOM 23 O VAL A 2 1.994 8.048 -3.779 1.00 34.03 O ATOM 24 CB VAL A 2 4.206 9.973 -3.130 1.00 11.31 C ATOM 25 CG1 VAL A 2 5.441 9.034 -3.238 1.00 32.22 C ATOM 26 CG2 VAL A 2 4.633 11.413 -2.794 1.00 43.31 C ATOM 0 H VAL A 2 1.872 11.115 -3.526 1.00 70.21 H new ATOM 0 HA VAL A 2 4.038 10.200 -5.246 1.00 35.44 H new ATOM 0 HB VAL A 2 3.583 9.608 -2.313 1.00 11.31 H new ATOM 0 HG11 VAL A 2 6.016 9.081 -2.313 1.00 32.22 H new ATOM 0 HG12 VAL A 2 5.106 8.010 -3.405 1.00 32.22 H new ATOM 0 HG13 VAL A 2 6.068 9.351 -4.072 1.00 32.22 H new ATOM 0 HG21 VAL A 2 5.226 11.413 -1.880 1.00 43.31 H new ATOM 0 HG22 VAL A 2 5.229 11.816 -3.613 1.00 43.31 H new ATOM 0 HG23 VAL A 2 3.747 12.031 -2.651 1.00 43.31 H new ATOM 36 N ASP A 3 3.015 7.952 -5.796 1.00 4.14 N ATOM 37 CA ASP A 3 2.463 6.665 -6.210 1.00 73.25 C ATOM 38 C ASP A 3 3.271 5.524 -5.603 1.00 21.44 C ATOM 39 O ASP A 3 4.408 5.284 -6.005 1.00 65.41 O ATOM 40 CB ASP A 3 2.457 6.556 -7.753 1.00 34.15 C ATOM 41 CG ASP A 3 1.529 7.590 -8.399 1.00 42.41 C ATOM 42 OD1 ASP A 3 0.333 7.284 -8.588 1.00 30.11 O ATOM 43 OD2 ASP A 3 1.989 8.709 -8.716 1.00 43.52 O ATOM 0 H ASP A 3 3.645 8.361 -6.486 1.00 4.14 H new ATOM 0 HA ASP A 3 1.436 6.594 -5.851 1.00 73.25 H new ATOM 0 HB2 ASP A 3 3.471 6.693 -8.130 1.00 34.15 H new ATOM 0 HB3 ASP A 3 2.142 5.554 -8.044 1.00 34.15 H new ATOM 48 N LEU A 4 2.703 4.884 -4.584 1.00 0.32 N ATOM 49 CA LEU A 4 3.183 3.594 -4.092 1.00 2.35 C ATOM 50 C LEU A 4 2.287 2.533 -4.726 1.00 51.12 C ATOM 51 O LEU A 4 1.094 2.477 -4.432 1.00 2.11 O ATOM 52 CB LEU A 4 3.110 3.551 -2.540 1.00 22.14 C ATOM 53 CG LEU A 4 3.923 4.653 -1.787 1.00 31.25 C ATOM 54 CD1 LEU A 4 3.684 4.576 -0.271 1.00 43.41 C ATOM 55 CD2 LEU A 4 5.426 4.563 -2.113 1.00 44.42 C ATOM 0 H LEU A 4 1.896 5.245 -4.075 1.00 0.32 H new ATOM 0 HA LEU A 4 4.225 3.421 -4.359 1.00 2.35 H new ATOM 0 HB2 LEU A 4 2.064 3.631 -2.243 1.00 22.14 H new ATOM 0 HB3 LEU A 4 3.462 2.575 -2.206 1.00 22.14 H new ATOM 0 HG LEU A 4 3.566 5.622 -2.136 1.00 31.25 H new ATOM 0 HD11 LEU A 4 4.262 5.354 0.228 1.00 43.41 H new ATOM 0 HD12 LEU A 4 2.624 4.720 -0.062 1.00 43.41 H new ATOM 0 HD13 LEU A 4 3.997 3.599 0.097 1.00 43.41 H new ATOM 0 HD21 LEU A 4 5.963 5.343 -1.573 1.00 44.42 H new ATOM 0 HD22 LEU A 4 5.806 3.587 -1.812 1.00 44.42 H new ATOM 0 HD23 LEU A 4 5.574 4.695 -3.185 1.00 44.42 H new ATOM 67 N LYS A 5 2.828 1.737 -5.645 1.00 14.34 N ATOM 68 CA LYS A 5 2.051 0.731 -6.377 1.00 4.12 C ATOM 69 C LYS A 5 2.608 -0.646 -6.032 1.00 65.11 C ATOM 70 O LYS A 5 3.691 -1.016 -6.488 1.00 41.44 O ATOM 71 CB LYS A 5 2.147 1.053 -7.889 1.00 42.33 C ATOM 72 CG LYS A 5 1.149 0.292 -8.795 1.00 64.24 C ATOM 73 CD LYS A 5 1.156 0.827 -10.252 1.00 63.23 C ATOM 74 CE LYS A 5 0.854 2.343 -10.328 1.00 64.41 C ATOM 75 NZ LYS A 5 0.744 2.830 -11.728 1.00 50.54 N ATOM 0 H LYS A 5 3.814 1.768 -5.905 1.00 14.34 H new ATOM 0 HA LYS A 5 0.997 0.741 -6.101 1.00 4.12 H new ATOM 0 HB2 LYS A 5 1.992 2.123 -8.026 1.00 42.33 H new ATOM 0 HB3 LYS A 5 3.159 0.832 -8.227 1.00 42.33 H new ATOM 0 HG2 LYS A 5 1.399 -0.769 -8.798 1.00 64.24 H new ATOM 0 HG3 LYS A 5 0.144 0.381 -8.382 1.00 64.24 H new ATOM 0 HD2 LYS A 5 2.129 0.630 -10.703 1.00 63.23 H new ATOM 0 HD3 LYS A 5 0.416 0.283 -10.839 1.00 63.23 H new ATOM 0 HE2 LYS A 5 -0.076 2.552 -9.799 1.00 64.41 H new ATOM 0 HE3 LYS A 5 1.643 2.894 -9.816 1.00 64.41 H new ATOM 0 HZ1 LYS A 5 0.541 3.850 -11.726 1.00 50.54 H new ATOM 0 HZ2 LYS A 5 1.639 2.656 -12.227 1.00 50.54 H new ATOM 0 HZ3 LYS A 5 -0.026 2.325 -12.212 1.00 50.54 H new ATOM 89 N ILE A 6 1.858 -1.407 -5.219 1.00 61.02 N ATOM 90 CA ILE A 6 2.381 -2.613 -4.563 1.00 73.44 C ATOM 91 C ILE A 6 1.814 -3.856 -5.255 1.00 13.34 C ATOM 92 O ILE A 6 0.610 -4.079 -5.223 1.00 55.30 O ATOM 93 CB ILE A 6 2.047 -2.687 -3.015 1.00 71.54 C ATOM 94 CG1 ILE A 6 2.506 -1.398 -2.236 1.00 13.34 C ATOM 95 CG2 ILE A 6 2.696 -3.957 -2.402 1.00 74.13 C ATOM 96 CD1 ILE A 6 1.565 -0.207 -2.328 1.00 74.34 C ATOM 0 H ILE A 6 0.882 -1.206 -5.000 1.00 61.02 H new ATOM 0 HA ILE A 6 3.466 -2.570 -4.653 1.00 73.44 H new ATOM 0 HB ILE A 6 0.963 -2.743 -2.913 1.00 71.54 H new ATOM 0 HG12 ILE A 6 2.635 -1.657 -1.185 1.00 13.34 H new ATOM 0 HG13 ILE A 6 3.484 -1.096 -2.612 1.00 13.34 H new ATOM 0 HG21 ILE A 6 2.465 -4.006 -1.338 1.00 74.13 H new ATOM 0 HG22 ILE A 6 2.302 -4.843 -2.900 1.00 74.13 H new ATOM 0 HG23 ILE A 6 3.777 -3.915 -2.537 1.00 74.13 H new ATOM 0 HD11 ILE A 6 1.975 0.626 -1.757 1.00 74.34 H new ATOM 0 HD12 ILE A 6 1.453 0.088 -3.371 1.00 74.34 H new ATOM 0 HD13 ILE A 6 0.591 -0.480 -1.922 1.00 74.34 H new ATOM 108 N ASP A 7 2.701 -4.668 -5.840 1.00 53.51 N ATOM 109 CA ASP A 7 2.338 -5.947 -6.462 1.00 42.34 C ATOM 110 C ASP A 7 1.709 -6.870 -5.409 1.00 70.50 C ATOM 111 O ASP A 7 2.236 -6.977 -4.299 1.00 23.30 O ATOM 112 CB ASP A 7 3.604 -6.603 -7.057 1.00 34.52 C ATOM 113 CG ASP A 7 3.342 -7.992 -7.662 1.00 35.23 C ATOM 114 OD1 ASP A 7 2.797 -8.061 -8.780 1.00 4.44 O ATOM 115 OD2 ASP A 7 3.674 -9.014 -7.017 1.00 50.02 O ATOM 0 H ASP A 7 3.697 -4.455 -5.896 1.00 53.51 H new ATOM 0 HA ASP A 7 1.615 -5.777 -7.260 1.00 42.34 H new ATOM 0 HB2 ASP A 7 4.015 -5.950 -7.827 1.00 34.52 H new ATOM 0 HB3 ASP A 7 4.360 -6.691 -6.277 1.00 34.52 H new ATOM 120 N VAL A 8 0.586 -7.515 -5.753 1.00 33.20 N ATOM 121 CA VAL A 8 -0.149 -8.412 -4.832 1.00 30.23 C ATOM 122 C VAL A 8 -0.583 -9.673 -5.598 1.00 32.13 C ATOM 123 O VAL A 8 -1.231 -9.592 -6.651 1.00 12.22 O ATOM 124 CB VAL A 8 -1.396 -7.701 -4.155 1.00 11.22 C ATOM 125 CG1 VAL A 8 -0.941 -6.630 -3.133 1.00 30.34 C ATOM 126 CG2 VAL A 8 -2.366 -7.088 -5.202 1.00 1.13 C ATOM 0 H VAL A 8 0.157 -7.434 -6.675 1.00 33.20 H new ATOM 0 HA VAL A 8 0.522 -8.686 -4.018 1.00 30.23 H new ATOM 0 HB VAL A 8 -1.948 -8.475 -3.621 1.00 11.22 H new ATOM 0 HG11 VAL A 8 -1.816 -6.159 -2.685 1.00 30.34 H new ATOM 0 HG12 VAL A 8 -0.344 -7.102 -2.353 1.00 30.34 H new ATOM 0 HG13 VAL A 8 -0.342 -5.874 -3.641 1.00 30.34 H new ATOM 0 HG21 VAL A 8 -3.202 -6.613 -4.689 1.00 1.13 H new ATOM 0 HG22 VAL A 8 -1.836 -6.344 -5.797 1.00 1.13 H new ATOM 0 HG23 VAL A 8 -2.741 -7.876 -5.856 1.00 1.13 H new ATOM 136 N SER A 9 -0.156 -10.833 -5.083 1.00 41.40 N ATOM 137 CA SER A 9 -0.465 -12.141 -5.674 1.00 44.34 C ATOM 138 C SER A 9 -1.873 -12.604 -5.264 1.00 61.23 C ATOM 139 O SER A 9 -2.728 -12.849 -6.121 1.00 4.50 O ATOM 140 CB SER A 9 0.606 -13.173 -5.267 1.00 22.24 C ATOM 141 OG SER A 9 0.405 -14.420 -5.908 1.00 50.14 O ATOM 0 H SER A 9 0.416 -10.891 -4.241 1.00 41.40 H new ATOM 0 HA SER A 9 -0.453 -12.049 -6.760 1.00 44.34 H new ATOM 0 HB2 SER A 9 1.595 -12.790 -5.519 1.00 22.24 H new ATOM 0 HB3 SER A 9 0.585 -13.312 -4.186 1.00 22.24 H new ATOM 0 HG SER A 9 1.103 -15.048 -5.628 1.00 50.14 H new ATOM 147 N ASP A 10 -2.116 -12.693 -3.944 1.00 44.12 N ATOM 148 CA ASP A 10 -3.399 -13.185 -3.389 1.00 40.24 C ATOM 149 C ASP A 10 -4.414 -12.041 -3.219 1.00 63.25 C ATOM 150 O ASP A 10 -4.061 -10.855 -3.271 1.00 61.21 O ATOM 151 CB ASP A 10 -3.163 -13.875 -2.013 1.00 32.45 C ATOM 152 CG ASP A 10 -2.163 -15.034 -2.087 1.00 24.31 C ATOM 153 OD1 ASP A 10 -0.942 -14.787 -1.963 1.00 11.32 O ATOM 154 OD2 ASP A 10 -2.585 -16.191 -2.276 1.00 1.45 O ATOM 0 H ASP A 10 -1.435 -12.429 -3.232 1.00 44.12 H new ATOM 0 HA ASP A 10 -3.807 -13.907 -4.096 1.00 40.24 H new ATOM 0 HB2 ASP A 10 -2.801 -13.135 -1.299 1.00 32.45 H new ATOM 0 HB3 ASP A 10 -4.114 -14.247 -1.632 1.00 32.45 H new ATOM 159 N ASP A 11 -5.673 -12.434 -2.966 1.00 14.24 N ATOM 160 CA ASP A 11 -6.781 -11.504 -2.657 1.00 43.51 C ATOM 161 C ASP A 11 -6.714 -11.103 -1.169 1.00 42.41 C ATOM 162 O ASP A 11 -7.004 -9.956 -0.813 1.00 3.52 O ATOM 163 CB ASP A 11 -8.148 -12.158 -2.988 1.00 54.31 C ATOM 164 CG ASP A 11 -8.405 -13.467 -2.217 1.00 1.34 C ATOM 165 OD1 ASP A 11 -7.830 -14.508 -2.600 1.00 72.44 O ATOM 166 OD2 ASP A 11 -9.152 -13.459 -1.217 1.00 74.42 O ATOM 0 H ASP A 11 -5.957 -13.414 -2.969 1.00 14.24 H new ATOM 0 HA ASP A 11 -6.680 -10.609 -3.271 1.00 43.51 H new ATOM 0 HB2 ASP A 11 -8.945 -11.450 -2.762 1.00 54.31 H new ATOM 0 HB3 ASP A 11 -8.196 -12.360 -4.058 1.00 54.31 H new ATOM 171 N GLU A 12 -6.283 -12.073 -0.323 1.00 31.11 N ATOM 172 CA GLU A 12 -6.043 -11.869 1.114 1.00 72.42 C ATOM 173 C GLU A 12 -4.892 -10.869 1.291 1.00 53.12 C ATOM 174 O GLU A 12 -4.992 -9.935 2.084 1.00 65.43 O ATOM 175 CB GLU A 12 -5.686 -13.239 1.771 1.00 34.35 C ATOM 176 CG GLU A 12 -5.295 -13.203 3.269 1.00 32.34 C ATOM 177 CD GLU A 12 -6.449 -12.863 4.225 1.00 31.02 C ATOM 178 OE1 GLU A 12 -7.423 -13.640 4.282 1.00 52.24 O ATOM 179 OE2 GLU A 12 -6.381 -11.833 4.930 1.00 4.11 O ATOM 0 H GLU A 12 -6.093 -13.027 -0.631 1.00 31.11 H new ATOM 0 HA GLU A 12 -6.935 -11.470 1.596 1.00 72.42 H new ATOM 0 HB2 GLU A 12 -6.541 -13.906 1.657 1.00 34.35 H new ATOM 0 HB3 GLU A 12 -4.860 -13.681 1.213 1.00 34.35 H new ATOM 0 HG2 GLU A 12 -4.885 -14.174 3.547 1.00 32.34 H new ATOM 0 HG3 GLU A 12 -4.500 -12.470 3.406 1.00 32.34 H new ATOM 186 N GLU A 13 -3.822 -11.105 0.503 1.00 51.15 N ATOM 187 CA GLU A 13 -2.653 -10.220 0.379 1.00 43.43 C ATOM 188 C GLU A 13 -3.067 -8.766 0.079 1.00 63.33 C ATOM 189 O GLU A 13 -2.661 -7.845 0.791 1.00 61.13 O ATOM 190 CB GLU A 13 -1.724 -10.765 -0.744 1.00 2.25 C ATOM 191 CG GLU A 13 -0.555 -9.852 -1.164 1.00 64.14 C ATOM 192 CD GLU A 13 0.518 -9.676 -0.079 1.00 0.33 C ATOM 193 OE1 GLU A 13 0.389 -8.774 0.767 1.00 23.13 O ATOM 194 OE2 GLU A 13 1.514 -10.423 -0.100 1.00 52.02 O ATOM 0 H GLU A 13 -3.749 -11.940 -0.079 1.00 51.15 H new ATOM 0 HA GLU A 13 -2.120 -10.210 1.330 1.00 43.43 H new ATOM 0 HB2 GLU A 13 -1.312 -11.719 -0.415 1.00 2.25 H new ATOM 0 HB3 GLU A 13 -2.334 -10.968 -1.625 1.00 2.25 H new ATOM 0 HG2 GLU A 13 -0.089 -10.264 -2.059 1.00 64.14 H new ATOM 0 HG3 GLU A 13 -0.950 -8.872 -1.433 1.00 64.14 H new ATOM 201 N ALA A 14 -3.892 -8.595 -0.972 1.00 70.55 N ATOM 202 CA ALA A 14 -4.320 -7.275 -1.454 1.00 53.33 C ATOM 203 C ALA A 14 -5.048 -6.475 -0.365 1.00 40.44 C ATOM 204 O ALA A 14 -4.659 -5.348 -0.043 1.00 1.13 O ATOM 205 CB ALA A 14 -5.211 -7.436 -2.697 1.00 24.02 C ATOM 0 H ALA A 14 -4.279 -9.371 -1.509 1.00 70.55 H new ATOM 0 HA ALA A 14 -3.427 -6.710 -1.723 1.00 53.33 H new ATOM 0 HB1 ALA A 14 -5.525 -6.453 -3.049 1.00 24.02 H new ATOM 0 HB2 ALA A 14 -4.651 -7.941 -3.483 1.00 24.02 H new ATOM 0 HB3 ALA A 14 -6.090 -8.027 -2.440 1.00 24.02 H new ATOM 211 N GLU A 15 -6.083 -7.093 0.217 1.00 62.33 N ATOM 212 CA GLU A 15 -6.947 -6.453 1.224 1.00 12.41 C ATOM 213 C GLU A 15 -6.240 -6.311 2.583 1.00 35.20 C ATOM 214 O GLU A 15 -6.674 -5.526 3.422 1.00 22.45 O ATOM 215 CB GLU A 15 -8.269 -7.240 1.331 1.00 50.04 C ATOM 216 CG GLU A 15 -8.998 -7.367 -0.022 1.00 51.33 C ATOM 217 CD GLU A 15 -10.267 -8.217 0.043 1.00 51.25 C ATOM 218 OE1 GLU A 15 -10.178 -9.442 -0.164 1.00 33.10 O ATOM 219 OE2 GLU A 15 -11.359 -7.664 0.291 1.00 12.34 O ATOM 0 H GLU A 15 -6.348 -8.055 0.004 1.00 62.33 H new ATOM 0 HA GLU A 15 -7.172 -5.436 0.903 1.00 12.41 H new ATOM 0 HB2 GLU A 15 -8.063 -8.236 1.723 1.00 50.04 H new ATOM 0 HB3 GLU A 15 -8.925 -6.745 2.047 1.00 50.04 H new ATOM 0 HG2 GLU A 15 -9.256 -6.371 -0.381 1.00 51.33 H new ATOM 0 HG3 GLU A 15 -8.316 -7.802 -0.753 1.00 51.33 H new ATOM 226 N LYS A 16 -5.149 -7.079 2.784 1.00 12.04 N ATOM 227 CA LYS A 16 -4.243 -6.919 3.941 1.00 1.43 C ATOM 228 C LYS A 16 -3.496 -5.575 3.846 1.00 11.34 C ATOM 229 O LYS A 16 -3.324 -4.896 4.858 1.00 70.40 O ATOM 230 CB LYS A 16 -3.226 -8.119 4.041 1.00 21.30 C ATOM 231 CG LYS A 16 -3.506 -9.119 5.190 1.00 63.11 C ATOM 232 CD LYS A 16 -3.290 -8.495 6.594 1.00 13.54 C ATOM 233 CE LYS A 16 -1.830 -8.068 6.832 1.00 51.34 C ATOM 234 NZ LYS A 16 -1.647 -7.409 8.145 1.00 61.12 N ATOM 0 H LYS A 16 -4.871 -7.827 2.149 1.00 12.04 H new ATOM 0 HA LYS A 16 -4.845 -6.922 4.850 1.00 1.43 H new ATOM 0 HB2 LYS A 16 -3.234 -8.662 3.096 1.00 21.30 H new ATOM 0 HB3 LYS A 16 -2.222 -7.715 4.168 1.00 21.30 H new ATOM 0 HG2 LYS A 16 -4.532 -9.479 5.111 1.00 63.11 H new ATOM 0 HG3 LYS A 16 -2.855 -9.986 5.078 1.00 63.11 H new ATOM 0 HD2 LYS A 16 -3.941 -7.628 6.707 1.00 13.54 H new ATOM 0 HD3 LYS A 16 -3.583 -9.216 7.357 1.00 13.54 H new ATOM 0 HE2 LYS A 16 -1.183 -8.943 6.773 1.00 51.34 H new ATOM 0 HE3 LYS A 16 -1.518 -7.388 6.039 1.00 51.34 H new ATOM 0 HZ1 LYS A 16 -0.650 -7.139 8.262 1.00 61.12 H new ATOM 0 HZ2 LYS A 16 -2.244 -6.559 8.193 1.00 61.12 H new ATOM 0 HZ3 LYS A 16 -1.919 -8.066 8.904 1.00 61.12 H new ATOM 248 N ILE A 17 -3.066 -5.213 2.617 1.00 74.14 N ATOM 249 CA ILE A 17 -2.389 -3.926 2.348 1.00 4.20 C ATOM 250 C ILE A 17 -3.393 -2.766 2.507 1.00 51.34 C ATOM 251 O ILE A 17 -3.079 -1.749 3.118 1.00 40.41 O ATOM 252 CB ILE A 17 -1.753 -3.872 0.900 1.00 51.44 C ATOM 253 CG1 ILE A 17 -0.899 -5.143 0.595 1.00 1.23 C ATOM 254 CG2 ILE A 17 -0.912 -2.582 0.695 1.00 74.55 C ATOM 255 CD1 ILE A 17 0.239 -5.413 1.560 1.00 22.31 C ATOM 0 H ILE A 17 -3.177 -5.800 1.790 1.00 74.14 H new ATOM 0 HA ILE A 17 -1.579 -3.830 3.070 1.00 4.20 H new ATOM 0 HB ILE A 17 -2.581 -3.851 0.191 1.00 51.44 H new ATOM 0 HG12 ILE A 17 -1.560 -6.010 0.588 1.00 1.23 H new ATOM 0 HG13 ILE A 17 -0.486 -5.049 -0.409 1.00 1.23 H new ATOM 0 HG21 ILE A 17 -0.490 -2.578 -0.310 1.00 74.55 H new ATOM 0 HG22 ILE A 17 -1.550 -1.708 0.824 1.00 74.55 H new ATOM 0 HG23 ILE A 17 -0.105 -2.554 1.427 1.00 74.55 H new ATOM 0 HD11 ILE A 17 0.766 -6.317 1.257 1.00 22.31 H new ATOM 0 HD12 ILE A 17 0.930 -4.570 1.553 1.00 22.31 H new ATOM 0 HD13 ILE A 17 -0.160 -5.546 2.565 1.00 22.31 H new ATOM 267 N ILE A 18 -4.610 -2.958 1.949 1.00 22.13 N ATOM 268 CA ILE A 18 -5.718 -1.979 2.032 1.00 13.42 C ATOM 269 C ILE A 18 -6.091 -1.678 3.497 1.00 34.04 C ATOM 270 O ILE A 18 -6.252 -0.516 3.874 1.00 65.14 O ATOM 271 CB ILE A 18 -6.988 -2.495 1.252 1.00 23.54 C ATOM 272 CG1 ILE A 18 -6.640 -2.722 -0.252 1.00 73.21 C ATOM 273 CG2 ILE A 18 -8.197 -1.534 1.407 1.00 2.03 C ATOM 274 CD1 ILE A 18 -7.764 -3.302 -1.087 1.00 51.31 C ATOM 0 H ILE A 18 -4.852 -3.800 1.426 1.00 22.13 H new ATOM 0 HA ILE A 18 -5.370 -1.057 1.567 1.00 13.42 H new ATOM 0 HB ILE A 18 -7.285 -3.447 1.691 1.00 23.54 H new ATOM 0 HG12 ILE A 18 -6.338 -1.770 -0.688 1.00 73.21 H new ATOM 0 HG13 ILE A 18 -5.780 -3.388 -0.314 1.00 73.21 H new ATOM 0 HG21 ILE A 18 -9.049 -1.929 0.854 1.00 2.03 H new ATOM 0 HG22 ILE A 18 -8.459 -1.446 2.461 1.00 2.03 H new ATOM 0 HG23 ILE A 18 -7.934 -0.552 1.015 1.00 2.03 H new ATOM 0 HD11 ILE A 18 -7.427 -3.423 -2.117 1.00 51.31 H new ATOM 0 HD12 ILE A 18 -8.054 -4.272 -0.683 1.00 51.31 H new ATOM 0 HD13 ILE A 18 -8.620 -2.628 -1.063 1.00 51.31 H new ATOM 286 N ARG A 19 -6.214 -2.744 4.312 1.00 70.55 N ATOM 287 CA ARG A 19 -6.553 -2.624 5.737 1.00 12.22 C ATOM 288 C ARG A 19 -5.446 -1.882 6.490 1.00 1.20 C ATOM 289 O ARG A 19 -5.726 -0.963 7.259 1.00 11.34 O ATOM 290 CB ARG A 19 -6.807 -4.021 6.365 1.00 44.04 C ATOM 291 CG ARG A 19 -7.211 -3.997 7.860 1.00 63.31 C ATOM 292 CD ARG A 19 -8.462 -3.140 8.128 1.00 10.04 C ATOM 293 NE ARG A 19 -9.629 -3.598 7.341 1.00 31.32 N ATOM 294 CZ ARG A 19 -10.765 -4.097 7.854 1.00 32.34 C ATOM 295 NH1 ARG A 19 -10.928 -4.222 9.170 1.00 43.03 N ATOM 296 NH2 ARG A 19 -11.737 -4.469 7.044 1.00 5.01 N ATOM 0 H ARG A 19 -6.081 -3.706 4.000 1.00 70.55 H new ATOM 0 HA ARG A 19 -7.473 -2.046 5.822 1.00 12.22 H new ATOM 0 HB2 ARG A 19 -7.593 -4.521 5.799 1.00 44.04 H new ATOM 0 HB3 ARG A 19 -5.904 -4.622 6.257 1.00 44.04 H new ATOM 0 HG2 ARG A 19 -7.396 -5.017 8.198 1.00 63.31 H new ATOM 0 HG3 ARG A 19 -6.379 -3.612 8.450 1.00 63.31 H new ATOM 0 HD2 ARG A 19 -8.705 -3.176 9.190 1.00 10.04 H new ATOM 0 HD3 ARG A 19 -8.247 -2.099 7.885 1.00 10.04 H new ATOM 0 HE ARG A 19 -9.565 -3.529 6.325 1.00 31.32 H new ATOM 0 HH11 ARG A 19 -10.183 -3.937 9.806 1.00 43.03 H new ATOM 0 HH12 ARG A 19 -11.798 -4.603 9.542 1.00 43.03 H new ATOM 0 HH21 ARG A 19 -11.623 -4.377 6.035 1.00 5.01 H new ATOM 0 HH22 ARG A 19 -12.603 -4.849 7.427 1.00 5.01 H new ATOM 310 N GLU A 20 -4.199 -2.280 6.205 1.00 64.42 N ATOM 311 CA GLU A 20 -2.995 -1.694 6.794 1.00 33.15 C ATOM 312 C GLU A 20 -2.950 -0.160 6.603 1.00 71.41 C ATOM 313 O GLU A 20 -2.839 0.595 7.569 1.00 34.43 O ATOM 314 CB GLU A 20 -1.762 -2.363 6.131 1.00 23.33 C ATOM 315 CG GLU A 20 -0.403 -1.926 6.696 1.00 13.13 C ATOM 316 CD GLU A 20 -0.233 -2.239 8.191 1.00 41.53 C ATOM 317 OE1 GLU A 20 -0.448 -3.401 8.593 1.00 70.21 O ATOM 318 OE2 GLU A 20 0.146 -1.335 8.962 1.00 64.54 O ATOM 0 H GLU A 20 -3.999 -3.032 5.546 1.00 64.42 H new ATOM 0 HA GLU A 20 -2.996 -1.875 7.869 1.00 33.15 H new ATOM 0 HB2 GLU A 20 -1.852 -3.444 6.239 1.00 23.33 H new ATOM 0 HB3 GLU A 20 -1.781 -2.146 5.063 1.00 23.33 H new ATOM 0 HG2 GLU A 20 0.391 -2.421 6.136 1.00 13.13 H new ATOM 0 HG3 GLU A 20 -0.281 -0.854 6.541 1.00 13.13 H new ATOM 325 N ILE A 21 -3.103 0.273 5.345 1.00 24.30 N ATOM 326 CA ILE A 21 -2.917 1.673 4.956 1.00 2.14 C ATOM 327 C ILE A 21 -4.125 2.539 5.357 1.00 43.14 C ATOM 328 O ILE A 21 -3.951 3.603 5.930 1.00 21.01 O ATOM 329 CB ILE A 21 -2.633 1.793 3.411 1.00 32.43 C ATOM 330 CG1 ILE A 21 -1.380 0.942 3.020 1.00 12.30 C ATOM 331 CG2 ILE A 21 -2.465 3.271 2.964 1.00 11.04 C ATOM 332 CD1 ILE A 21 -0.096 1.290 3.763 1.00 21.02 C ATOM 0 H ILE A 21 -3.359 -0.339 4.570 1.00 24.30 H new ATOM 0 HA ILE A 21 -2.048 2.050 5.496 1.00 2.14 H new ATOM 0 HB ILE A 21 -3.501 1.398 2.883 1.00 32.43 H new ATOM 0 HG12 ILE A 21 -1.607 -0.110 3.195 1.00 12.30 H new ATOM 0 HG13 ILE A 21 -1.203 1.057 1.951 1.00 12.30 H new ATOM 0 HG21 ILE A 21 -2.271 3.307 1.892 1.00 11.04 H new ATOM 0 HG22 ILE A 21 -3.377 3.824 3.186 1.00 11.04 H new ATOM 0 HG23 ILE A 21 -1.629 3.720 3.500 1.00 11.04 H new ATOM 0 HD11 ILE A 21 0.711 0.643 3.418 1.00 21.02 H new ATOM 0 HD12 ILE A 21 0.166 2.330 3.570 1.00 21.02 H new ATOM 0 HD13 ILE A 21 -0.244 1.146 4.833 1.00 21.02 H new ATOM 344 N ARG A 22 -5.346 2.061 5.076 1.00 63.23 N ATOM 345 CA ARG A 22 -6.573 2.875 5.267 1.00 11.30 C ATOM 346 C ARG A 22 -6.995 3.009 6.751 1.00 15.02 C ATOM 347 O ARG A 22 -7.691 3.965 7.100 1.00 70.40 O ATOM 348 CB ARG A 22 -7.748 2.333 4.421 1.00 5.52 C ATOM 349 CG ARG A 22 -7.552 2.459 2.890 1.00 74.35 C ATOM 350 CD ARG A 22 -8.861 2.244 2.113 1.00 22.41 C ATOM 351 NE ARG A 22 -9.885 3.249 2.476 1.00 73.13 N ATOM 352 CZ ARG A 22 -10.999 3.527 1.780 1.00 24.11 C ATOM 353 NH1 ARG A 22 -11.286 2.887 0.648 1.00 23.20 N ATOM 354 NH2 ARG A 22 -11.828 4.451 2.233 1.00 52.43 N ATOM 0 H ARG A 22 -5.518 1.122 4.718 1.00 63.23 H new ATOM 0 HA ARG A 22 -6.319 3.876 4.919 1.00 11.30 H new ATOM 0 HB2 ARG A 22 -7.903 1.283 4.669 1.00 5.52 H new ATOM 0 HB3 ARG A 22 -8.657 2.865 4.703 1.00 5.52 H new ATOM 0 HG2 ARG A 22 -7.152 3.446 2.657 1.00 74.35 H new ATOM 0 HG3 ARG A 22 -6.812 1.730 2.560 1.00 74.35 H new ATOM 0 HD2 ARG A 22 -8.662 2.298 1.043 1.00 22.41 H new ATOM 0 HD3 ARG A 22 -9.245 1.244 2.316 1.00 22.41 H new ATOM 0 HE ARG A 22 -9.730 3.779 3.334 1.00 73.13 H new ATOM 0 HH11 ARG A 22 -10.654 2.169 0.293 1.00 23.20 H new ATOM 0 HH12 ARG A 22 -12.138 3.114 0.135 1.00 23.20 H new ATOM 0 HH21 ARG A 22 -11.618 4.943 3.101 1.00 52.43 H new ATOM 0 HH22 ARG A 22 -12.678 4.672 1.714 1.00 52.43 H new ATOM 368 N GLU A 23 -6.585 2.049 7.607 1.00 25.20 N ATOM 369 CA GLU A 23 -6.868 2.096 9.063 1.00 42.44 C ATOM 370 C GLU A 23 -6.073 3.235 9.741 1.00 65.32 C ATOM 371 O GLU A 23 -6.569 3.902 10.653 1.00 52.51 O ATOM 372 CB GLU A 23 -6.515 0.735 9.719 1.00 34.34 C ATOM 373 CG GLU A 23 -6.782 0.653 11.236 1.00 34.42 C ATOM 374 CD GLU A 23 -6.382 -0.700 11.836 1.00 4.54 C ATOM 375 OE1 GLU A 23 -5.194 -0.878 12.167 1.00 42.11 O ATOM 376 OE2 GLU A 23 -7.248 -1.594 11.966 1.00 61.33 O ATOM 0 H GLU A 23 -6.055 1.228 7.316 1.00 25.20 H new ATOM 0 HA GLU A 23 -7.931 2.292 9.199 1.00 42.44 H new ATOM 0 HB2 GLU A 23 -7.086 -0.049 9.222 1.00 34.34 H new ATOM 0 HB3 GLU A 23 -5.461 0.525 9.539 1.00 34.34 H new ATOM 0 HG2 GLU A 23 -6.231 1.447 11.741 1.00 34.42 H new ATOM 0 HG3 GLU A 23 -7.841 0.830 11.424 1.00 34.42 H new ATOM 383 N GLN A 24 -4.850 3.448 9.247 1.00 1.25 N ATOM 384 CA GLN A 24 -3.906 4.433 9.809 1.00 65.52 C ATOM 385 C GLN A 24 -4.086 5.792 9.115 1.00 35.43 C ATOM 386 O GLN A 24 -4.127 6.845 9.768 1.00 53.33 O ATOM 387 CB GLN A 24 -2.452 3.925 9.655 1.00 2.30 C ATOM 388 CG GLN A 24 -2.207 2.528 10.248 1.00 54.35 C ATOM 389 CD GLN A 24 -0.754 2.064 10.117 1.00 5.11 C ATOM 390 OE1 GLN A 24 0.063 2.273 11.008 1.00 31.14 O ATOM 391 NE2 GLN A 24 -0.415 1.466 8.992 1.00 2.42 N ATOM 0 H GLN A 24 -4.480 2.942 8.442 1.00 1.25 H new ATOM 0 HA GLN A 24 -4.114 4.560 10.871 1.00 65.52 H new ATOM 0 HB2 GLN A 24 -2.195 3.908 8.596 1.00 2.30 H new ATOM 0 HB3 GLN A 24 -1.778 4.635 10.135 1.00 2.30 H new ATOM 0 HG2 GLN A 24 -2.486 2.533 11.302 1.00 54.35 H new ATOM 0 HG3 GLN A 24 -2.858 1.809 9.749 1.00 54.35 H new ATOM 0 HE21 GLN A 24 -1.116 1.305 8.269 1.00 2.42 H new ATOM 0 HE22 GLN A 24 0.548 1.164 8.845 1.00 2.42 H new ATOM 400 N TRP A 25 -4.173 5.742 7.780 1.00 72.53 N ATOM 401 CA TRP A 25 -4.346 6.917 6.906 1.00 41.54 C ATOM 402 C TRP A 25 -5.733 6.873 6.229 1.00 22.20 C ATOM 403 O TRP A 25 -5.903 6.194 5.209 1.00 25.14 O ATOM 404 CB TRP A 25 -3.210 6.951 5.850 1.00 3.25 C ATOM 405 CG TRP A 25 -1.831 6.992 6.467 1.00 74.42 C ATOM 406 CD1 TRP A 25 -1.199 8.086 6.972 1.00 24.14 C ATOM 407 CD2 TRP A 25 -0.931 5.889 6.674 1.00 63.12 C ATOM 408 NE1 TRP A 25 0.019 7.734 7.481 1.00 12.04 N ATOM 409 CE2 TRP A 25 0.208 6.400 7.307 1.00 2.44 C ATOM 410 CE3 TRP A 25 -0.976 4.525 6.383 1.00 24.45 C ATOM 411 CZ2 TRP A 25 1.282 5.603 7.663 1.00 2.32 C ATOM 412 CZ3 TRP A 25 0.091 3.728 6.734 1.00 32.12 C ATOM 413 CH2 TRP A 25 1.213 4.268 7.370 1.00 73.24 C ATOM 0 H TRP A 25 -4.124 4.865 7.262 1.00 72.53 H new ATOM 0 HA TRP A 25 -4.291 7.828 7.503 1.00 41.54 H new ATOM 0 HB2 TRP A 25 -3.290 6.072 5.210 1.00 3.25 H new ATOM 0 HB3 TRP A 25 -3.342 7.824 5.210 1.00 3.25 H new ATOM 0 HD1 TRP A 25 -1.602 9.088 6.971 1.00 24.14 H new ATOM 0 HE1 TRP A 25 0.682 8.372 7.922 1.00 12.04 H new ATOM 0 HE3 TRP A 25 -1.837 4.100 5.889 1.00 24.45 H new ATOM 0 HZ2 TRP A 25 2.147 6.021 8.156 1.00 2.32 H new ATOM 0 HZ3 TRP A 25 0.061 2.671 6.515 1.00 32.12 H new ATOM 0 HH2 TRP A 25 2.037 3.622 7.634 1.00 73.24 H new ATOM 424 N PRO A 26 -6.768 7.558 6.822 1.00 14.34 N ATOM 425 CA PRO A 26 -8.105 7.695 6.188 1.00 44.22 C ATOM 426 C PRO A 26 -8.058 8.536 4.893 1.00 32.11 C ATOM 427 O PRO A 26 -8.857 8.316 3.976 1.00 25.55 O ATOM 428 CB PRO A 26 -8.958 8.378 7.292 1.00 75.21 C ATOM 429 CG PRO A 26 -7.966 9.084 8.169 1.00 51.11 C ATOM 430 CD PRO A 26 -6.730 8.211 8.165 1.00 33.42 C ATOM 0 HA PRO A 26 -8.514 6.737 5.867 1.00 44.22 H new ATOM 0 HB2 PRO A 26 -9.673 9.079 6.861 1.00 75.21 H new ATOM 0 HB3 PRO A 26 -9.532 7.644 7.857 1.00 75.21 H new ATOM 0 HG2 PRO A 26 -7.744 10.080 7.787 1.00 51.11 H new ATOM 0 HG3 PRO A 26 -8.355 9.209 9.180 1.00 51.11 H new ATOM 0 HD2 PRO A 26 -5.823 8.800 8.299 1.00 33.42 H new ATOM 0 HD3 PRO A 26 -6.755 7.476 8.969 1.00 33.42 H new ATOM 438 N LYS A 27 -7.107 9.495 4.832 1.00 53.10 N ATOM 439 CA LYS A 27 -6.911 10.389 3.668 1.00 74.10 C ATOM 440 C LYS A 27 -6.152 9.709 2.498 1.00 70.23 C ATOM 441 O LYS A 27 -5.677 10.402 1.592 1.00 24.42 O ATOM 442 CB LYS A 27 -6.119 11.647 4.136 1.00 72.14 C ATOM 443 CG LYS A 27 -6.797 12.494 5.233 1.00 53.33 C ATOM 444 CD LYS A 27 -8.104 13.168 4.760 1.00 11.34 C ATOM 445 CE LYS A 27 -8.699 14.093 5.832 1.00 0.43 C ATOM 446 NZ LYS A 27 -9.901 14.813 5.343 1.00 44.41 N ATOM 0 H LYS A 27 -6.451 9.672 5.593 1.00 53.10 H new ATOM 0 HA LYS A 27 -7.897 10.657 3.289 1.00 74.10 H new ATOM 0 HB2 LYS A 27 -5.144 11.325 4.502 1.00 72.14 H new ATOM 0 HB3 LYS A 27 -5.940 12.284 3.270 1.00 72.14 H new ATOM 0 HG2 LYS A 27 -7.014 11.859 6.092 1.00 53.33 H new ATOM 0 HG3 LYS A 27 -6.102 13.262 5.572 1.00 53.33 H new ATOM 0 HD2 LYS A 27 -7.908 13.743 3.855 1.00 11.34 H new ATOM 0 HD3 LYS A 27 -8.833 12.401 4.499 1.00 11.34 H new ATOM 0 HE2 LYS A 27 -8.962 13.506 6.712 1.00 0.43 H new ATOM 0 HE3 LYS A 27 -7.946 14.816 6.145 1.00 0.43 H new ATOM 0 HZ1 LYS A 27 -10.270 15.426 6.098 1.00 44.41 H new ATOM 0 HZ2 LYS A 27 -9.646 15.394 4.519 1.00 44.41 H new ATOM 0 HZ3 LYS A 27 -10.630 14.124 5.069 1.00 44.41 H new ATOM 460 N ALA A 28 -6.123 8.364 2.457 1.00 1.42 N ATOM 461 CA ALA A 28 -5.289 7.630 1.485 1.00 3.42 C ATOM 462 C ALA A 28 -6.238 6.991 0.468 1.00 62.32 C ATOM 463 O ALA A 28 -6.985 6.067 0.834 1.00 23.43 O ATOM 464 CB ALA A 28 -4.423 6.575 2.197 1.00 60.04 C ATOM 0 H ALA A 28 -6.664 7.766 3.081 1.00 1.42 H new ATOM 0 HA ALA A 28 -4.597 8.303 0.978 1.00 3.42 H new ATOM 0 HB1 ALA A 28 -3.816 6.046 1.462 1.00 60.04 H new ATOM 0 HB2 ALA A 28 -3.771 7.067 2.919 1.00 60.04 H new ATOM 0 HB3 ALA A 28 -5.067 5.864 2.715 1.00 60.04 H new ATOM 470 N THR A 29 -6.260 7.480 -0.790 1.00 54.52 N ATOM 471 CA THR A 29 -7.114 6.905 -1.840 1.00 21.30 C ATOM 472 C THR A 29 -6.489 5.576 -2.310 1.00 14.21 C ATOM 473 O THR A 29 -5.479 5.563 -3.025 1.00 74.21 O ATOM 474 CB THR A 29 -7.271 7.890 -3.057 1.00 24.41 C ATOM 475 OG1 THR A 29 -7.750 9.168 -2.605 1.00 15.30 O ATOM 476 CG2 THR A 29 -8.219 7.350 -4.145 1.00 23.24 C ATOM 0 H THR A 29 -5.695 8.271 -1.099 1.00 54.52 H new ATOM 0 HA THR A 29 -8.109 6.731 -1.431 1.00 21.30 H new ATOM 0 HB THR A 29 -6.281 7.992 -3.502 1.00 24.41 H new ATOM 0 HG1 THR A 29 -7.842 9.772 -3.371 1.00 15.30 H new ATOM 0 HG21 THR A 29 -8.288 8.072 -4.959 1.00 23.24 H new ATOM 0 HG22 THR A 29 -7.832 6.406 -4.529 1.00 23.24 H new ATOM 0 HG23 THR A 29 -9.209 7.189 -3.718 1.00 23.24 H new ATOM 484 N VAL A 30 -7.071 4.458 -1.862 1.00 44.53 N ATOM 485 CA VAL A 30 -6.603 3.114 -2.209 1.00 1.35 C ATOM 486 C VAL A 30 -7.646 2.437 -3.102 1.00 73.02 C ATOM 487 O VAL A 30 -8.769 2.186 -2.669 1.00 43.32 O ATOM 488 CB VAL A 30 -6.300 2.249 -0.926 1.00 13.13 C ATOM 489 CG1 VAL A 30 -5.852 0.817 -1.303 1.00 12.23 C ATOM 490 CG2 VAL A 30 -5.240 2.944 -0.026 1.00 65.02 C ATOM 0 H VAL A 30 -7.884 4.462 -1.246 1.00 44.53 H new ATOM 0 HA VAL A 30 -5.662 3.199 -2.753 1.00 1.35 H new ATOM 0 HB VAL A 30 -7.226 2.166 -0.357 1.00 13.13 H new ATOM 0 HG11 VAL A 30 -5.651 0.248 -0.395 1.00 12.23 H new ATOM 0 HG12 VAL A 30 -6.642 0.326 -1.872 1.00 12.23 H new ATOM 0 HG13 VAL A 30 -4.947 0.866 -1.908 1.00 12.23 H new ATOM 0 HG21 VAL A 30 -5.048 2.328 0.852 1.00 65.02 H new ATOM 0 HG22 VAL A 30 -4.315 3.074 -0.587 1.00 65.02 H new ATOM 0 HG23 VAL A 30 -5.613 3.919 0.289 1.00 65.02 H new ATOM 500 N THR A 31 -7.264 2.167 -4.356 1.00 41.21 N ATOM 501 CA THR A 31 -8.145 1.543 -5.349 1.00 55.24 C ATOM 502 C THR A 31 -7.881 0.025 -5.386 1.00 62.23 C ATOM 503 O THR A 31 -6.717 -0.411 -5.344 1.00 60.42 O ATOM 504 CB THR A 31 -7.906 2.167 -6.765 1.00 12.14 C ATOM 505 OG1 THR A 31 -7.998 3.597 -6.679 1.00 3.14 O ATOM 506 CG2 THR A 31 -8.909 1.652 -7.822 1.00 64.13 C ATOM 0 H THR A 31 -6.331 2.376 -4.711 1.00 41.21 H new ATOM 0 HA THR A 31 -9.182 1.724 -5.067 1.00 55.24 H new ATOM 0 HB THR A 31 -6.910 1.863 -7.087 1.00 12.14 H new ATOM 0 HG1 THR A 31 -7.847 3.988 -7.565 1.00 3.14 H new ATOM 0 HG21 THR A 31 -8.696 2.118 -8.784 1.00 64.13 H new ATOM 0 HG22 THR A 31 -8.816 0.570 -7.915 1.00 64.13 H new ATOM 0 HG23 THR A 31 -9.924 1.904 -7.514 1.00 64.13 H new ATOM 514 N ARG A 32 -8.962 -0.770 -5.469 1.00 64.13 N ATOM 515 CA ARG A 32 -8.902 -2.234 -5.510 1.00 72.15 C ATOM 516 C ARG A 32 -8.722 -2.646 -6.977 1.00 23.43 C ATOM 517 O ARG A 32 -9.620 -2.432 -7.801 1.00 23.53 O ATOM 518 CB ARG A 32 -10.213 -2.815 -4.904 1.00 0.33 C ATOM 519 CG ARG A 32 -10.305 -4.361 -4.775 1.00 20.34 C ATOM 520 CD ARG A 32 -9.149 -4.984 -3.964 1.00 31.23 C ATOM 521 NE ARG A 32 -9.494 -6.319 -3.417 1.00 22.42 N ATOM 522 CZ ARG A 32 -8.994 -7.499 -3.826 1.00 2.34 C ATOM 523 NH1 ARG A 32 -8.111 -7.566 -4.819 1.00 64.24 N ATOM 524 NH2 ARG A 32 -9.376 -8.616 -3.218 1.00 52.52 N ATOM 0 H ARG A 32 -9.913 -0.404 -5.510 1.00 64.13 H new ATOM 0 HA ARG A 32 -8.069 -2.622 -4.924 1.00 72.15 H new ATOM 0 HB2 ARG A 32 -10.348 -2.384 -3.912 1.00 0.33 H new ATOM 0 HB3 ARG A 32 -11.049 -2.476 -5.516 1.00 0.33 H new ATOM 0 HG2 ARG A 32 -11.252 -4.622 -4.302 1.00 20.34 H new ATOM 0 HG3 ARG A 32 -10.316 -4.800 -5.772 1.00 20.34 H new ATOM 0 HD2 ARG A 32 -8.269 -5.072 -4.601 1.00 31.23 H new ATOM 0 HD3 ARG A 32 -8.884 -4.317 -3.144 1.00 31.23 H new ATOM 0 HE ARG A 32 -10.175 -6.345 -2.658 1.00 22.42 H new ATOM 0 HH11 ARG A 32 -7.802 -6.713 -5.285 1.00 64.24 H new ATOM 0 HH12 ARG A 32 -7.744 -8.470 -5.115 1.00 64.24 H new ATOM 0 HH21 ARG A 32 -10.043 -8.575 -2.448 1.00 52.52 H new ATOM 0 HH22 ARG A 32 -9.002 -9.515 -3.521 1.00 52.52 H new ATOM 538 N THR A 33 -7.547 -3.194 -7.304 1.00 34.53 N ATOM 539 CA THR A 33 -7.170 -3.550 -8.684 1.00 35.32 C ATOM 540 C THR A 33 -6.494 -4.924 -8.651 1.00 15.12 C ATOM 541 O THR A 33 -5.636 -5.174 -7.792 1.00 51.25 O ATOM 542 CB THR A 33 -6.230 -2.472 -9.351 1.00 52.10 C ATOM 543 OG1 THR A 33 -5.215 -2.052 -8.429 1.00 2.02 O ATOM 544 CG2 THR A 33 -6.999 -1.231 -9.846 1.00 3.30 C ATOM 0 H THR A 33 -6.823 -3.406 -6.617 1.00 34.53 H new ATOM 0 HA THR A 33 -8.069 -3.582 -9.300 1.00 35.32 H new ATOM 0 HB THR A 33 -5.780 -2.955 -10.218 1.00 52.10 H new ATOM 0 HG1 THR A 33 -4.877 -2.830 -7.938 1.00 2.02 H new ATOM 0 HG21 THR A 33 -6.300 -0.525 -10.295 1.00 3.30 H new ATOM 0 HG22 THR A 33 -7.737 -1.533 -10.589 1.00 3.30 H new ATOM 0 HG23 THR A 33 -7.504 -0.756 -9.005 1.00 3.30 H new ATOM 552 N ASN A 34 -6.903 -5.825 -9.556 1.00 20.53 N ATOM 553 CA ASN A 34 -6.345 -7.182 -9.611 1.00 34.52 C ATOM 554 C ASN A 34 -4.893 -7.113 -10.148 1.00 63.02 C ATOM 555 O ASN A 34 -4.656 -6.779 -11.312 1.00 54.44 O ATOM 556 CB ASN A 34 -7.260 -8.130 -10.445 1.00 61.23 C ATOM 557 CG ASN A 34 -7.372 -7.777 -11.935 1.00 24.44 C ATOM 558 OD1 ASN A 34 -8.160 -6.910 -12.329 1.00 54.52 O ATOM 559 ND2 ASN A 34 -6.592 -8.453 -12.777 1.00 14.11 N ATOM 0 H ASN A 34 -7.618 -5.638 -10.259 1.00 20.53 H new ATOM 0 HA ASN A 34 -6.310 -7.610 -8.609 1.00 34.52 H new ATOM 0 HB2 ASN A 34 -6.881 -9.148 -10.356 1.00 61.23 H new ATOM 0 HB3 ASN A 34 -8.259 -8.123 -10.009 1.00 61.23 H new ATOM 0 HD21 ASN A 34 -6.635 -8.261 -13.778 1.00 14.11 H new ATOM 0 HD22 ASN A 34 -5.952 -9.163 -12.421 1.00 14.11 H new ATOM 566 N GLY A 35 -3.921 -7.321 -9.247 1.00 63.31 N ATOM 567 CA GLY A 35 -2.498 -7.321 -9.603 1.00 24.21 C ATOM 568 C GLY A 35 -1.696 -6.366 -8.736 1.00 2.21 C ATOM 569 O GLY A 35 -0.556 -6.672 -8.368 1.00 73.02 O ATOM 0 H GLY A 35 -4.100 -7.493 -8.258 1.00 63.31 H new ATOM 0 HA2 GLY A 35 -2.098 -8.329 -9.498 1.00 24.21 H new ATOM 0 HA3 GLY A 35 -2.386 -7.041 -10.650 1.00 24.21 H new ATOM 573 N ASP A 36 -2.294 -5.198 -8.395 1.00 24.03 N ATOM 574 CA ASP A 36 -1.605 -4.144 -7.605 1.00 44.42 C ATOM 575 C ASP A 36 -2.546 -3.468 -6.601 1.00 11.42 C ATOM 576 O ASP A 36 -3.767 -3.546 -6.702 1.00 21.50 O ATOM 577 CB ASP A 36 -1.000 -3.036 -8.520 1.00 33.25 C ATOM 578 CG ASP A 36 0.123 -3.521 -9.441 1.00 14.13 C ATOM 579 OD1 ASP A 36 1.294 -3.545 -9.008 1.00 15.01 O ATOM 580 OD2 ASP A 36 -0.159 -3.866 -10.609 1.00 61.33 O ATOM 0 H ASP A 36 -3.252 -4.961 -8.654 1.00 24.03 H new ATOM 0 HA ASP A 36 -0.807 -4.657 -7.068 1.00 44.42 H new ATOM 0 HB2 ASP A 36 -1.797 -2.611 -9.131 1.00 33.25 H new ATOM 0 HB3 ASP A 36 -0.617 -2.232 -7.892 1.00 33.25 H new ATOM 585 N ILE A 37 -1.923 -2.833 -5.611 1.00 31.40 N ATOM 586 CA ILE A 37 -2.557 -1.849 -4.731 1.00 13.55 C ATOM 587 C ILE A 37 -2.175 -0.452 -5.196 1.00 74.44 C ATOM 588 O ILE A 37 -0.989 -0.097 -5.210 1.00 64.13 O ATOM 589 CB ILE A 37 -2.138 -2.074 -3.226 1.00 73.12 C ATOM 590 CG1 ILE A 37 -2.675 -3.452 -2.732 1.00 63.03 C ATOM 591 CG2 ILE A 37 -2.617 -0.918 -2.299 1.00 74.44 C ATOM 592 CD1 ILE A 37 -4.184 -3.627 -2.846 1.00 42.54 C ATOM 0 H ILE A 37 -0.939 -2.991 -5.392 1.00 31.40 H new ATOM 0 HA ILE A 37 -3.639 -1.967 -4.784 1.00 13.55 H new ATOM 0 HB ILE A 37 -1.049 -2.075 -3.177 1.00 73.12 H new ATOM 0 HG12 ILE A 37 -2.187 -4.242 -3.303 1.00 63.03 H new ATOM 0 HG13 ILE A 37 -2.385 -3.587 -1.690 1.00 63.03 H new ATOM 0 HG21 ILE A 37 -2.304 -1.120 -1.275 1.00 74.44 H new ATOM 0 HG22 ILE A 37 -2.179 0.022 -2.634 1.00 74.44 H new ATOM 0 HG23 ILE A 37 -3.704 -0.846 -2.339 1.00 74.44 H new ATOM 0 HD11 ILE A 37 -4.465 -4.614 -2.479 1.00 42.54 H new ATOM 0 HD12 ILE A 37 -4.685 -2.863 -2.251 1.00 42.54 H new ATOM 0 HD13 ILE A 37 -4.484 -3.529 -3.889 1.00 42.54 H new ATOM 604 N LYS A 38 -3.185 0.324 -5.607 1.00 15.53 N ATOM 605 CA LYS A 38 -3.008 1.726 -5.973 1.00 23.23 C ATOM 606 C LYS A 38 -3.133 2.546 -4.694 1.00 30.13 C ATOM 607 O LYS A 38 -4.226 2.695 -4.164 1.00 63.10 O ATOM 608 CB LYS A 38 -4.072 2.153 -7.015 1.00 71.25 C ATOM 609 CG LYS A 38 -4.112 1.280 -8.285 1.00 12.43 C ATOM 610 CD LYS A 38 -2.758 1.235 -9.032 1.00 20.44 C ATOM 611 CE LYS A 38 -2.830 0.421 -10.336 1.00 50.43 C ATOM 612 NZ LYS A 38 -3.215 -0.990 -10.102 1.00 33.34 N ATOM 0 H LYS A 38 -4.146 -0.006 -5.694 1.00 15.53 H new ATOM 0 HA LYS A 38 -2.032 1.887 -6.431 1.00 23.23 H new ATOM 0 HB2 LYS A 38 -5.054 2.130 -6.543 1.00 71.25 H new ATOM 0 HB3 LYS A 38 -3.883 3.186 -7.306 1.00 71.25 H new ATOM 0 HG2 LYS A 38 -4.404 0.266 -8.013 1.00 12.43 H new ATOM 0 HG3 LYS A 38 -4.879 1.663 -8.958 1.00 12.43 H new ATOM 0 HD2 LYS A 38 -2.439 2.252 -9.260 1.00 20.44 H new ATOM 0 HD3 LYS A 38 -2.001 0.802 -8.379 1.00 20.44 H new ATOM 0 HE2 LYS A 38 -3.550 0.884 -11.010 1.00 50.43 H new ATOM 0 HE3 LYS A 38 -1.861 0.452 -10.834 1.00 50.43 H new ATOM 0 HZ1 LYS A 38 -2.491 -1.619 -10.504 1.00 33.34 H new ATOM 0 HZ2 LYS A 38 -3.295 -1.163 -9.080 1.00 33.34 H new ATOM 0 HZ3 LYS A 38 -4.130 -1.180 -10.558 1.00 33.34 H new ATOM 626 N LEU A 39 -2.003 3.043 -4.208 1.00 75.32 N ATOM 627 CA LEU A 39 -1.903 3.757 -2.923 1.00 70.33 C ATOM 628 C LEU A 39 -1.628 5.239 -3.224 1.00 5.34 C ATOM 629 O LEU A 39 -0.696 5.572 -3.971 1.00 1.42 O ATOM 630 CB LEU A 39 -0.778 3.084 -2.063 1.00 74.20 C ATOM 631 CG LEU A 39 -0.641 3.441 -0.534 1.00 52.43 C ATOM 632 CD1 LEU A 39 0.332 2.455 0.159 1.00 65.32 C ATOM 633 CD2 LEU A 39 -0.167 4.889 -0.291 1.00 14.31 C ATOM 0 H LEU A 39 -1.111 2.965 -4.696 1.00 75.32 H new ATOM 0 HA LEU A 39 -2.825 3.701 -2.345 1.00 70.33 H new ATOM 0 HB2 LEU A 39 -0.916 2.005 -2.134 1.00 74.20 H new ATOM 0 HB3 LEU A 39 0.176 3.315 -2.537 1.00 74.20 H new ATOM 0 HG LEU A 39 -1.639 3.352 -0.104 1.00 52.43 H new ATOM 0 HD11 LEU A 39 0.419 2.711 1.215 1.00 65.32 H new ATOM 0 HD12 LEU A 39 -0.050 1.439 0.063 1.00 65.32 H new ATOM 0 HD13 LEU A 39 1.313 2.520 -0.312 1.00 65.32 H new ATOM 0 HD21 LEU A 39 -0.093 5.072 0.781 1.00 14.31 H new ATOM 0 HD22 LEU A 39 0.810 5.034 -0.753 1.00 14.31 H new ATOM 0 HD23 LEU A 39 -0.883 5.585 -0.729 1.00 14.31 H new ATOM 645 N ASP A 40 -2.452 6.113 -2.632 1.00 51.31 N ATOM 646 CA ASP A 40 -2.303 7.572 -2.717 1.00 72.43 C ATOM 647 C ASP A 40 -1.592 8.047 -1.451 1.00 14.22 C ATOM 648 O ASP A 40 -2.182 8.068 -0.352 1.00 65.25 O ATOM 649 CB ASP A 40 -3.696 8.243 -2.895 1.00 35.55 C ATOM 650 CG ASP A 40 -3.805 9.719 -2.441 1.00 63.12 C ATOM 651 OD1 ASP A 40 -3.082 10.571 -2.978 1.00 45.23 O ATOM 652 OD2 ASP A 40 -4.628 10.027 -1.544 1.00 44.14 O ATOM 0 H ASP A 40 -3.253 5.822 -2.072 1.00 51.31 H new ATOM 0 HA ASP A 40 -1.706 7.854 -3.585 1.00 72.43 H new ATOM 0 HB2 ASP A 40 -3.972 8.187 -3.948 1.00 35.55 H new ATOM 0 HB3 ASP A 40 -4.431 7.659 -2.342 1.00 35.55 H new ATOM 657 N ALA A 41 -0.301 8.370 -1.596 1.00 41.32 N ATOM 658 CA ALA A 41 0.507 8.926 -0.520 1.00 74.25 C ATOM 659 C ALA A 41 0.498 10.443 -0.657 1.00 52.15 C ATOM 660 O ALA A 41 0.707 10.973 -1.760 1.00 44.54 O ATOM 661 CB ALA A 41 1.926 8.355 -0.560 1.00 73.34 C ATOM 0 H ALA A 41 0.209 8.250 -2.471 1.00 41.32 H new ATOM 0 HA ALA A 41 0.091 8.653 0.450 1.00 74.25 H new ATOM 0 HB1 ALA A 41 2.514 8.783 0.252 1.00 73.34 H new ATOM 0 HB2 ALA A 41 1.886 7.272 -0.447 1.00 73.34 H new ATOM 0 HB3 ALA A 41 2.391 8.603 -1.514 1.00 73.34 H new ATOM 667 N GLN A 42 0.241 11.120 0.466 1.00 34.44 N ATOM 668 CA GLN A 42 -0.018 12.565 0.499 1.00 23.34 C ATOM 669 C GLN A 42 1.252 13.341 0.118 1.00 13.54 C ATOM 670 O GLN A 42 1.252 14.168 -0.796 1.00 21.44 O ATOM 671 CB GLN A 42 -0.500 12.976 1.921 1.00 53.42 C ATOM 672 CG GLN A 42 -1.589 12.069 2.535 1.00 73.20 C ATOM 673 CD GLN A 42 -2.850 11.937 1.687 1.00 74.45 C ATOM 674 OE1 GLN A 42 -3.775 12.740 1.812 1.00 72.35 O ATOM 675 NE2 GLN A 42 -2.906 10.911 0.835 1.00 40.12 N ATOM 0 H GLN A 42 0.206 10.679 1.385 1.00 34.44 H new ATOM 0 HA GLN A 42 -0.797 12.807 -0.224 1.00 23.34 H new ATOM 0 HB2 GLN A 42 0.361 12.987 2.590 1.00 53.42 H new ATOM 0 HB3 GLN A 42 -0.882 13.996 1.877 1.00 53.42 H new ATOM 0 HG2 GLN A 42 -1.169 11.076 2.697 1.00 73.20 H new ATOM 0 HG3 GLN A 42 -1.863 12.463 3.514 1.00 73.20 H new ATOM 0 HE21 GLN A 42 -2.119 10.267 0.760 1.00 40.12 H new ATOM 0 HE22 GLN A 42 -3.736 10.771 0.259 1.00 40.12 H new ATOM 684 N THR A 43 2.336 13.029 0.832 1.00 41.10 N ATOM 685 CA THR A 43 3.640 13.688 0.686 1.00 73.12 C ATOM 686 C THR A 43 4.755 12.623 0.691 1.00 41.15 C ATOM 687 O THR A 43 4.465 11.420 0.796 1.00 5.24 O ATOM 688 CB THR A 43 3.866 14.708 1.856 1.00 62.05 C ATOM 689 OG1 THR A 43 3.798 14.015 3.113 1.00 12.23 O ATOM 690 CG2 THR A 43 2.843 15.862 1.850 1.00 33.43 C ATOM 0 H THR A 43 2.334 12.297 1.542 1.00 41.10 H new ATOM 0 HA THR A 43 3.663 14.232 -0.258 1.00 73.12 H new ATOM 0 HB THR A 43 4.851 15.151 1.712 1.00 62.05 H new ATOM 0 HG1 THR A 43 3.941 14.651 3.845 1.00 12.23 H new ATOM 0 HG21 THR A 43 3.049 16.535 2.682 1.00 33.43 H new ATOM 0 HG22 THR A 43 2.919 16.411 0.911 1.00 33.43 H new ATOM 0 HG23 THR A 43 1.836 15.456 1.953 1.00 33.43 H new ATOM 698 N GLU A 44 6.017 13.076 0.570 1.00 32.51 N ATOM 699 CA GLU A 44 7.204 12.204 0.620 1.00 40.15 C ATOM 700 C GLU A 44 7.326 11.525 1.998 1.00 40.44 C ATOM 701 O GLU A 44 7.410 10.296 2.092 1.00 11.02 O ATOM 702 CB GLU A 44 8.480 13.033 0.299 1.00 54.14 C ATOM 703 CG GLU A 44 9.821 12.258 0.395 1.00 34.43 C ATOM 704 CD GLU A 44 9.860 11.001 -0.487 1.00 63.12 C ATOM 705 OE1 GLU A 44 10.033 11.128 -1.715 1.00 12.53 O ATOM 706 OE2 GLU A 44 9.712 9.882 0.042 1.00 54.51 O ATOM 0 H GLU A 44 6.242 14.062 0.434 1.00 32.51 H new ATOM 0 HA GLU A 44 7.096 11.420 -0.129 1.00 40.15 H new ATOM 0 HB2 GLU A 44 8.385 13.438 -0.709 1.00 54.14 H new ATOM 0 HB3 GLU A 44 8.522 13.882 0.981 1.00 54.14 H new ATOM 0 HG2 GLU A 44 10.637 12.921 0.107 1.00 34.43 H new ATOM 0 HG3 GLU A 44 9.994 11.971 1.432 1.00 34.43 H new ATOM 713 N LYS A 45 7.285 12.353 3.055 1.00 11.35 N ATOM 714 CA LYS A 45 7.442 11.894 4.450 1.00 53.21 C ATOM 715 C LYS A 45 6.247 11.049 4.922 1.00 34.21 C ATOM 716 O LYS A 45 6.339 10.368 5.952 1.00 14.43 O ATOM 717 CB LYS A 45 7.688 13.107 5.390 1.00 54.42 C ATOM 718 CG LYS A 45 9.068 13.774 5.194 1.00 12.22 C ATOM 719 CD LYS A 45 10.220 12.811 5.558 1.00 63.11 C ATOM 720 CE LYS A 45 11.608 13.329 5.174 1.00 4.32 C ATOM 721 NZ LYS A 45 12.636 12.271 5.386 1.00 62.30 N ATOM 0 H LYS A 45 7.142 13.359 2.969 1.00 11.35 H new ATOM 0 HA LYS A 45 8.315 11.242 4.489 1.00 53.21 H new ATOM 0 HB2 LYS A 45 6.908 13.850 5.222 1.00 54.42 H new ATOM 0 HB3 LYS A 45 7.597 12.778 6.425 1.00 54.42 H new ATOM 0 HG2 LYS A 45 9.174 14.095 4.158 1.00 12.22 H new ATOM 0 HG3 LYS A 45 9.132 14.669 5.813 1.00 12.22 H new ATOM 0 HD2 LYS A 45 10.198 12.623 6.631 1.00 63.11 H new ATOM 0 HD3 LYS A 45 10.051 11.855 5.063 1.00 63.11 H new ATOM 0 HE2 LYS A 45 11.610 13.642 4.130 1.00 4.32 H new ATOM 0 HE3 LYS A 45 11.853 14.207 5.771 1.00 4.32 H new ATOM 0 HZ1 LYS A 45 13.570 12.633 5.105 1.00 62.30 H new ATOM 0 HZ2 LYS A 45 12.657 12.003 6.391 1.00 62.30 H new ATOM 0 HZ3 LYS A 45 12.400 11.437 4.811 1.00 62.30 H new ATOM 735 N GLU A 46 5.135 11.097 4.166 1.00 50.54 N ATOM 736 CA GLU A 46 3.954 10.268 4.436 1.00 70.20 C ATOM 737 C GLU A 46 4.155 8.893 3.779 1.00 4.13 C ATOM 738 O GLU A 46 3.883 7.850 4.387 1.00 44.20 O ATOM 739 CB GLU A 46 2.670 10.939 3.869 1.00 44.34 C ATOM 740 CG GLU A 46 1.354 10.333 4.394 1.00 72.11 C ATOM 741 CD GLU A 46 1.082 10.698 5.863 1.00 55.53 C ATOM 742 OE1 GLU A 46 1.586 10.006 6.770 1.00 25.12 O ATOM 743 OE2 GLU A 46 0.378 11.695 6.111 1.00 12.30 O ATOM 0 H GLU A 46 5.033 11.709 3.356 1.00 50.54 H new ATOM 0 HA GLU A 46 3.833 10.156 5.513 1.00 70.20 H new ATOM 0 HB2 GLU A 46 2.691 12.001 4.114 1.00 44.34 H new ATOM 0 HB3 GLU A 46 2.684 10.862 2.782 1.00 44.34 H new ATOM 0 HG2 GLU A 46 0.526 10.682 3.777 1.00 72.11 H new ATOM 0 HG3 GLU A 46 1.392 9.248 4.294 1.00 72.11 H new ATOM 750 N ALA A 47 4.661 8.937 2.521 1.00 41.50 N ATOM 751 CA ALA A 47 4.932 7.751 1.693 1.00 5.40 C ATOM 752 C ALA A 47 5.909 6.784 2.361 1.00 75.24 C ATOM 753 O ALA A 47 5.754 5.575 2.232 1.00 72.11 O ATOM 754 CB ALA A 47 5.477 8.173 0.325 1.00 65.51 C ATOM 0 H ALA A 47 4.893 9.813 2.053 1.00 41.50 H new ATOM 0 HA ALA A 47 3.985 7.227 1.568 1.00 5.40 H new ATOM 0 HB1 ALA A 47 5.673 7.286 -0.278 1.00 65.51 H new ATOM 0 HB2 ALA A 47 4.743 8.801 -0.181 1.00 65.51 H new ATOM 0 HB3 ALA A 47 6.403 8.733 0.459 1.00 65.51 H new ATOM 760 N GLU A 48 6.901 7.348 3.079 1.00 65.12 N ATOM 761 CA GLU A 48 7.931 6.573 3.795 1.00 34.22 C ATOM 762 C GLU A 48 7.305 5.602 4.820 1.00 64.12 C ATOM 763 O GLU A 48 7.728 4.453 4.920 1.00 53.15 O ATOM 764 CB GLU A 48 8.929 7.535 4.493 1.00 55.02 C ATOM 765 CG GLU A 48 9.742 8.426 3.517 1.00 71.34 C ATOM 766 CD GLU A 48 10.706 9.426 4.192 1.00 72.30 C ATOM 767 OE1 GLU A 48 10.849 9.425 5.439 1.00 35.22 O ATOM 768 OE2 GLU A 48 11.332 10.231 3.468 1.00 22.21 O ATOM 0 H GLU A 48 7.010 8.357 3.178 1.00 65.12 H new ATOM 0 HA GLU A 48 8.468 5.970 3.063 1.00 34.22 H new ATOM 0 HB2 GLU A 48 8.377 8.177 5.180 1.00 55.02 H new ATOM 0 HB3 GLU A 48 9.623 6.947 5.094 1.00 55.02 H new ATOM 0 HG2 GLU A 48 10.318 7.780 2.855 1.00 71.34 H new ATOM 0 HG3 GLU A 48 9.045 8.983 2.892 1.00 71.34 H new ATOM 775 N LYS A 49 6.278 6.083 5.550 1.00 43.44 N ATOM 776 CA LYS A 49 5.582 5.295 6.591 1.00 24.12 C ATOM 777 C LYS A 49 4.633 4.257 5.938 1.00 21.12 C ATOM 778 O LYS A 49 4.568 3.099 6.355 1.00 55.43 O ATOM 779 CB LYS A 49 4.759 6.241 7.505 1.00 0.52 C ATOM 780 CG LYS A 49 5.551 7.406 8.137 1.00 13.42 C ATOM 781 CD LYS A 49 4.635 8.340 8.969 1.00 73.43 C ATOM 782 CE LYS A 49 5.379 9.540 9.578 1.00 55.24 C ATOM 783 NZ LYS A 49 6.438 9.129 10.538 1.00 30.44 N ATOM 0 H LYS A 49 5.908 7.026 5.436 1.00 43.44 H new ATOM 0 HA LYS A 49 6.329 4.770 7.186 1.00 24.12 H new ATOM 0 HB2 LYS A 49 3.937 6.657 6.922 1.00 0.52 H new ATOM 0 HB3 LYS A 49 4.315 5.649 8.306 1.00 0.52 H new ATOM 0 HG2 LYS A 49 6.338 7.006 8.776 1.00 13.42 H new ATOM 0 HG3 LYS A 49 6.040 7.982 7.351 1.00 13.42 H new ATOM 0 HD2 LYS A 49 3.829 8.706 8.334 1.00 73.43 H new ATOM 0 HD3 LYS A 49 4.173 7.764 9.770 1.00 73.43 H new ATOM 0 HE2 LYS A 49 5.828 10.129 8.778 1.00 55.24 H new ATOM 0 HE3 LYS A 49 4.664 10.186 10.087 1.00 55.24 H new ATOM 0 HZ1 LYS A 49 6.885 9.975 10.945 1.00 30.44 H new ATOM 0 HZ2 LYS A 49 6.015 8.561 11.300 1.00 30.44 H new ATOM 0 HZ3 LYS A 49 7.155 8.563 10.042 1.00 30.44 H new ATOM 797 N MET A 50 3.862 4.765 4.958 1.00 24.24 N ATOM 798 CA MET A 50 2.911 3.976 4.140 1.00 32.54 C ATOM 799 C MET A 50 3.567 2.696 3.552 1.00 31.22 C ATOM 800 O MET A 50 3.130 1.578 3.862 1.00 15.24 O ATOM 801 CB MET A 50 2.280 4.863 3.033 1.00 40.03 C ATOM 802 CG MET A 50 1.281 5.910 3.548 1.00 13.14 C ATOM 803 SD MET A 50 0.627 6.936 2.217 1.00 13.22 S ATOM 804 CE MET A 50 -0.806 7.696 2.970 1.00 60.01 C ATOM 0 H MET A 50 3.880 5.753 4.705 1.00 24.24 H new ATOM 0 HA MET A 50 2.111 3.635 4.797 1.00 32.54 H new ATOM 0 HB2 MET A 50 3.079 5.375 2.496 1.00 40.03 H new ATOM 0 HB3 MET A 50 1.774 4.219 2.314 1.00 40.03 H new ATOM 0 HG2 MET A 50 0.458 5.406 4.055 1.00 13.14 H new ATOM 0 HG3 MET A 50 1.770 6.544 4.287 1.00 13.14 H new ATOM 0 HE1 MET A 50 -1.210 8.455 2.300 1.00 60.01 H new ATOM 0 HE2 MET A 50 -1.565 6.936 3.157 1.00 60.01 H new ATOM 0 HE3 MET A 50 -0.518 8.161 3.913 1.00 60.01 H new ATOM 814 N GLU A 51 4.622 2.872 2.729 1.00 1.43 N ATOM 815 CA GLU A 51 5.369 1.741 2.121 1.00 63.53 C ATOM 816 C GLU A 51 6.023 0.824 3.191 1.00 42.42 C ATOM 817 O GLU A 51 6.130 -0.380 2.985 1.00 25.20 O ATOM 818 CB GLU A 51 6.460 2.260 1.144 1.00 35.45 C ATOM 819 CG GLU A 51 7.618 3.003 1.827 1.00 63.32 C ATOM 820 CD GLU A 51 8.747 3.387 0.868 1.00 50.50 C ATOM 821 OE1 GLU A 51 9.673 2.568 0.669 1.00 24.10 O ATOM 822 OE2 GLU A 51 8.720 4.498 0.328 1.00 33.52 O ATOM 0 H GLU A 51 4.980 3.790 2.467 1.00 1.43 H new ATOM 0 HA GLU A 51 4.640 1.147 1.570 1.00 63.53 H new ATOM 0 HB2 GLU A 51 6.864 1.415 0.587 1.00 35.45 H new ATOM 0 HB3 GLU A 51 5.994 2.926 0.418 1.00 35.45 H new ATOM 0 HG2 GLU A 51 7.231 3.906 2.300 1.00 63.32 H new ATOM 0 HG3 GLU A 51 8.024 2.376 2.621 1.00 63.32 H new ATOM 829 N LYS A 52 6.439 1.426 4.330 1.00 3.22 N ATOM 830 CA LYS A 52 7.083 0.704 5.452 1.00 21.14 C ATOM 831 C LYS A 52 6.094 -0.281 6.101 1.00 4.14 C ATOM 832 O LYS A 52 6.460 -1.409 6.457 1.00 31.34 O ATOM 833 CB LYS A 52 7.590 1.727 6.501 1.00 33.14 C ATOM 834 CG LYS A 52 8.273 1.134 7.751 1.00 12.01 C ATOM 835 CD LYS A 52 9.579 0.381 7.421 1.00 42.31 C ATOM 836 CE LYS A 52 10.270 -0.162 8.679 1.00 5.44 C ATOM 837 NZ LYS A 52 11.554 -0.822 8.348 1.00 32.54 N ATOM 0 H LYS A 52 6.337 2.427 4.497 1.00 3.22 H new ATOM 0 HA LYS A 52 7.928 0.133 5.068 1.00 21.14 H new ATOM 0 HB2 LYS A 52 8.294 2.400 6.012 1.00 33.14 H new ATOM 0 HB3 LYS A 52 6.744 2.333 6.827 1.00 33.14 H new ATOM 0 HG2 LYS A 52 8.490 1.937 8.455 1.00 12.01 H new ATOM 0 HG3 LYS A 52 7.582 0.453 8.248 1.00 12.01 H new ATOM 0 HD2 LYS A 52 9.359 -0.445 6.745 1.00 42.31 H new ATOM 0 HD3 LYS A 52 10.260 1.051 6.895 1.00 42.31 H new ATOM 0 HE2 LYS A 52 10.449 0.654 9.379 1.00 5.44 H new ATOM 0 HE3 LYS A 52 9.612 -0.873 9.179 1.00 5.44 H new ATOM 0 HZ1 LYS A 52 11.996 -1.178 9.219 1.00 32.54 H new ATOM 0 HZ2 LYS A 52 11.379 -1.616 7.699 1.00 32.54 H new ATOM 0 HZ3 LYS A 52 12.190 -0.136 7.893 1.00 32.54 H new ATOM 851 N ALA A 53 4.838 0.177 6.233 1.00 15.14 N ATOM 852 CA ALA A 53 3.728 -0.622 6.763 1.00 31.34 C ATOM 853 C ALA A 53 3.447 -1.840 5.861 1.00 41.24 C ATOM 854 O ALA A 53 3.148 -2.930 6.353 1.00 44.14 O ATOM 855 CB ALA A 53 2.488 0.274 6.914 1.00 72.42 C ATOM 0 H ALA A 53 4.565 1.124 5.971 1.00 15.14 H new ATOM 0 HA ALA A 53 3.997 -1.012 7.745 1.00 31.34 H new ATOM 0 HB1 ALA A 53 1.659 -0.315 7.308 1.00 72.42 H new ATOM 0 HB2 ALA A 53 2.711 1.091 7.600 1.00 72.42 H new ATOM 0 HB3 ALA A 53 2.213 0.682 5.941 1.00 72.42 H new ATOM 861 N VAL A 54 3.588 -1.636 4.538 1.00 4.30 N ATOM 862 CA VAL A 54 3.471 -2.708 3.526 1.00 31.35 C ATOM 863 C VAL A 54 4.639 -3.724 3.648 1.00 23.40 C ATOM 864 O VAL A 54 4.434 -4.937 3.536 1.00 3.41 O ATOM 865 CB VAL A 54 3.449 -2.106 2.073 1.00 20.02 C ATOM 866 CG1 VAL A 54 3.334 -3.213 1.007 1.00 31.35 C ATOM 867 CG2 VAL A 54 2.326 -1.054 1.911 1.00 32.32 C ATOM 0 H VAL A 54 3.787 -0.720 4.137 1.00 4.30 H new ATOM 0 HA VAL A 54 2.532 -3.229 3.711 1.00 31.35 H new ATOM 0 HB VAL A 54 4.400 -1.597 1.919 1.00 20.02 H new ATOM 0 HG11 VAL A 54 3.321 -2.763 0.015 1.00 31.35 H new ATOM 0 HG12 VAL A 54 4.187 -3.887 1.089 1.00 31.35 H new ATOM 0 HG13 VAL A 54 2.412 -3.774 1.163 1.00 31.35 H new ATOM 0 HG21 VAL A 54 2.341 -0.660 0.895 1.00 32.32 H new ATOM 0 HG22 VAL A 54 1.360 -1.520 2.105 1.00 32.32 H new ATOM 0 HG23 VAL A 54 2.485 -0.240 2.618 1.00 32.32 H new ATOM 877 N LYS A 55 5.865 -3.202 3.860 1.00 15.25 N ATOM 878 CA LYS A 55 7.081 -4.031 4.065 1.00 61.52 C ATOM 879 C LYS A 55 7.036 -4.811 5.397 1.00 12.31 C ATOM 880 O LYS A 55 7.812 -5.749 5.603 1.00 34.33 O ATOM 881 CB LYS A 55 8.357 -3.155 3.987 1.00 64.12 C ATOM 882 CG LYS A 55 8.572 -2.481 2.617 1.00 41.12 C ATOM 883 CD LYS A 55 9.835 -1.594 2.579 1.00 75.32 C ATOM 884 CE LYS A 55 9.983 -0.836 1.251 1.00 35.52 C ATOM 885 NZ LYS A 55 11.211 -0.003 1.220 1.00 45.54 N ATOM 0 H LYS A 55 6.044 -2.198 3.895 1.00 15.25 H new ATOM 0 HA LYS A 55 7.110 -4.767 3.262 1.00 61.52 H new ATOM 0 HB2 LYS A 55 8.303 -2.384 4.755 1.00 64.12 H new ATOM 0 HB3 LYS A 55 9.225 -3.774 4.216 1.00 64.12 H new ATOM 0 HG2 LYS A 55 8.650 -3.249 1.847 1.00 41.12 H new ATOM 0 HG3 LYS A 55 7.700 -1.874 2.375 1.00 41.12 H new ATOM 0 HD2 LYS A 55 9.797 -0.878 3.400 1.00 75.32 H new ATOM 0 HD3 LYS A 55 10.716 -2.215 2.739 1.00 75.32 H new ATOM 0 HE2 LYS A 55 10.008 -1.549 0.427 1.00 35.52 H new ATOM 0 HE3 LYS A 55 9.110 -0.201 1.097 1.00 35.52 H new ATOM 0 HZ1 LYS A 55 10.956 0.984 1.017 1.00 45.54 H new ATOM 0 HZ2 LYS A 55 11.689 -0.054 2.142 1.00 45.54 H new ATOM 0 HZ3 LYS A 55 11.850 -0.355 0.479 1.00 45.54 H new ATOM 899 N LYS A 56 6.128 -4.404 6.296 1.00 73.14 N ATOM 900 CA LYS A 56 5.850 -5.127 7.549 1.00 63.24 C ATOM 901 C LYS A 56 4.745 -6.184 7.365 1.00 32.42 C ATOM 902 O LYS A 56 4.559 -7.039 8.230 1.00 4.54 O ATOM 903 CB LYS A 56 5.511 -4.120 8.692 1.00 20.32 C ATOM 904 CG LYS A 56 6.732 -3.382 9.323 1.00 71.24 C ATOM 905 CD LYS A 56 7.452 -4.193 10.446 1.00 45.24 C ATOM 906 CE LYS A 56 8.222 -5.426 9.945 1.00 11.22 C ATOM 907 NZ LYS A 56 8.811 -6.211 11.051 1.00 3.14 N ATOM 0 H LYS A 56 5.564 -3.563 6.176 1.00 73.14 H new ATOM 0 HA LYS A 56 6.751 -5.670 7.836 1.00 63.24 H new ATOM 0 HB2 LYS A 56 4.820 -3.373 8.301 1.00 20.32 H new ATOM 0 HB3 LYS A 56 4.986 -4.657 9.482 1.00 20.32 H new ATOM 0 HG2 LYS A 56 7.451 -3.153 8.537 1.00 71.24 H new ATOM 0 HG3 LYS A 56 6.395 -2.431 9.735 1.00 71.24 H new ATOM 0 HD2 LYS A 56 8.146 -3.533 10.966 1.00 45.24 H new ATOM 0 HD3 LYS A 56 6.710 -4.515 11.177 1.00 45.24 H new ATOM 0 HE2 LYS A 56 7.549 -6.062 9.370 1.00 11.22 H new ATOM 0 HE3 LYS A 56 9.014 -5.106 9.268 1.00 11.22 H new ATOM 0 HZ1 LYS A 56 9.319 -7.031 10.662 1.00 3.14 H new ATOM 0 HZ2 LYS A 56 9.474 -5.614 11.586 1.00 3.14 H new ATOM 0 HZ3 LYS A 56 8.055 -6.541 11.684 1.00 3.14 H new ATOM 921 N VAL A 57 4.003 -6.099 6.252 1.00 62.12 N ATOM 922 CA VAL A 57 3.093 -7.177 5.804 1.00 32.14 C ATOM 923 C VAL A 57 3.910 -8.251 5.051 1.00 14.44 C ATOM 924 O VAL A 57 3.614 -9.448 5.115 1.00 52.10 O ATOM 925 CB VAL A 57 1.934 -6.612 4.886 1.00 51.14 C ATOM 926 CG1 VAL A 57 0.979 -7.727 4.404 1.00 21.14 C ATOM 927 CG2 VAL A 57 1.149 -5.486 5.605 1.00 33.42 C ATOM 0 H VAL A 57 4.012 -5.287 5.635 1.00 62.12 H new ATOM 0 HA VAL A 57 2.622 -7.624 6.680 1.00 32.14 H new ATOM 0 HB VAL A 57 2.408 -6.187 4.001 1.00 51.14 H new ATOM 0 HG11 VAL A 57 0.200 -7.293 3.777 1.00 21.14 H new ATOM 0 HG12 VAL A 57 1.540 -8.463 3.828 1.00 21.14 H new ATOM 0 HG13 VAL A 57 0.522 -8.213 5.266 1.00 21.14 H new ATOM 0 HG21 VAL A 57 0.359 -5.117 4.950 1.00 33.42 H new ATOM 0 HG22 VAL A 57 0.707 -5.878 6.521 1.00 33.42 H new ATOM 0 HG23 VAL A 57 1.828 -4.669 5.851 1.00 33.42 H new ATOM 937 N LYS A 58 4.981 -7.796 4.384 1.00 41.42 N ATOM 938 CA LYS A 58 5.810 -8.641 3.508 1.00 33.04 C ATOM 939 C LYS A 58 7.215 -8.011 3.357 1.00 32.24 C ATOM 940 O LYS A 58 7.323 -6.930 2.781 1.00 73.21 O ATOM 941 CB LYS A 58 5.127 -8.898 2.131 1.00 43.12 C ATOM 942 CG LYS A 58 4.426 -7.689 1.499 1.00 1.22 C ATOM 943 CD LYS A 58 3.869 -8.028 0.105 1.00 52.22 C ATOM 944 CE LYS A 58 3.002 -6.915 -0.472 1.00 55.21 C ATOM 945 NZ LYS A 58 2.319 -7.364 -1.703 1.00 75.40 N ATOM 0 H LYS A 58 5.299 -6.828 4.436 1.00 41.42 H new ATOM 0 HA LYS A 58 5.922 -9.621 3.972 1.00 33.04 H new ATOM 0 HB2 LYS A 58 5.882 -9.262 1.434 1.00 43.12 H new ATOM 0 HB3 LYS A 58 4.395 -9.696 2.253 1.00 43.12 H new ATOM 0 HG2 LYS A 58 3.614 -7.358 2.146 1.00 1.22 H new ATOM 0 HG3 LYS A 58 5.129 -6.860 1.420 1.00 1.22 H new ATOM 0 HD2 LYS A 58 4.698 -8.225 -0.574 1.00 52.22 H new ATOM 0 HD3 LYS A 58 3.282 -8.945 0.166 1.00 52.22 H new ATOM 0 HE2 LYS A 58 2.263 -6.604 0.266 1.00 55.21 H new ATOM 0 HE3 LYS A 58 3.619 -6.044 -0.691 1.00 55.21 H new ATOM 0 HZ1 LYS A 58 1.314 -7.099 -1.659 1.00 75.40 H new ATOM 0 HZ2 LYS A 58 2.760 -6.912 -2.529 1.00 75.40 H new ATOM 0 HZ3 LYS A 58 2.401 -8.397 -1.788 1.00 75.40 H new ATOM 959 N PRO A 59 8.316 -8.660 3.867 1.00 3.30 N ATOM 960 CA PRO A 59 9.704 -8.106 3.773 1.00 34.14 C ATOM 961 C PRO A 59 10.201 -7.948 2.318 1.00 13.42 C ATOM 962 O PRO A 59 11.111 -7.159 2.049 1.00 74.01 O ATOM 963 CB PRO A 59 10.560 -9.134 4.570 1.00 53.12 C ATOM 964 CG PRO A 59 9.750 -10.398 4.563 1.00 1.03 C ATOM 965 CD PRO A 59 8.299 -9.961 4.587 1.00 71.11 C ATOM 0 HA PRO A 59 9.765 -7.094 4.173 1.00 34.14 H new ATOM 0 HB2 PRO A 59 11.533 -9.285 4.102 1.00 53.12 H new ATOM 0 HB3 PRO A 59 10.746 -8.789 5.587 1.00 53.12 H new ATOM 0 HG2 PRO A 59 9.964 -10.994 3.676 1.00 1.03 H new ATOM 0 HG3 PRO A 59 9.986 -11.018 5.428 1.00 1.03 H new ATOM 0 HD2 PRO A 59 7.653 -10.686 4.091 1.00 71.11 H new ATOM 0 HD3 PRO A 59 7.930 -9.851 5.607 1.00 71.11 H new ATOM 973 N ASN A 60 9.587 -8.705 1.388 1.00 14.14 N ATOM 974 CA ASN A 60 9.912 -8.652 -0.057 1.00 23.45 C ATOM 975 C ASN A 60 8.839 -7.858 -0.830 1.00 54.43 C ATOM 976 O ASN A 60 8.647 -8.095 -2.034 1.00 14.12 O ATOM 977 CB ASN A 60 10.014 -10.091 -0.629 1.00 11.44 C ATOM 978 CG ASN A 60 11.046 -10.961 0.078 1.00 71.42 C ATOM 979 OD1 ASN A 60 10.740 -11.610 1.081 1.00 71.21 O ATOM 980 ND2 ASN A 60 12.264 -11.000 -0.441 1.00 73.45 N ATOM 0 H ASN A 60 8.850 -9.373 1.615 1.00 14.14 H new ATOM 0 HA ASN A 60 10.870 -8.146 -0.176 1.00 23.45 H new ATOM 0 HB2 ASN A 60 9.038 -10.571 -0.558 1.00 11.44 H new ATOM 0 HB3 ASN A 60 10.265 -10.034 -1.688 1.00 11.44 H new ATOM 0 HD21 ASN A 60 12.984 -11.580 -0.010 1.00 73.45 H new ATOM 0 HD22 ASN A 60 12.482 -10.450 -1.272 1.00 73.45 H new ATOM 987 N ALA A 61 8.125 -6.943 -0.129 1.00 24.40 N ATOM 988 CA ALA A 61 7.113 -6.052 -0.742 1.00 32.01 C ATOM 989 C ALA A 61 7.640 -5.355 -2.008 1.00 34.31 C ATOM 990 O ALA A 61 8.543 -4.516 -1.932 1.00 21.34 O ATOM 991 CB ALA A 61 6.649 -4.986 0.273 1.00 0.21 C ATOM 0 H ALA A 61 8.235 -6.803 0.875 1.00 24.40 H new ATOM 0 HA ALA A 61 6.271 -6.681 -1.031 1.00 32.01 H new ATOM 0 HB1 ALA A 61 5.906 -4.339 -0.193 1.00 0.21 H new ATOM 0 HB2 ALA A 61 6.210 -5.477 1.141 1.00 0.21 H new ATOM 0 HB3 ALA A 61 7.504 -4.388 0.589 1.00 0.21 H new ATOM 997 N THR A 62 7.060 -5.715 -3.166 1.00 14.45 N ATOM 998 CA THR A 62 7.399 -5.094 -4.440 1.00 53.04 C ATOM 999 C THR A 62 6.591 -3.800 -4.578 1.00 70.25 C ATOM 1000 O THR A 62 5.406 -3.829 -4.911 1.00 3.31 O ATOM 1001 CB THR A 62 7.098 -6.071 -5.622 1.00 34.13 C ATOM 1002 OG1 THR A 62 7.668 -7.362 -5.338 1.00 51.04 O ATOM 1003 CG2 THR A 62 7.649 -5.553 -6.959 1.00 10.41 C ATOM 0 H THR A 62 6.348 -6.442 -3.236 1.00 14.45 H new ATOM 0 HA THR A 62 8.464 -4.863 -4.471 1.00 53.04 H new ATOM 0 HB THR A 62 6.015 -6.146 -5.717 1.00 34.13 H new ATOM 0 HG1 THR A 62 7.477 -7.974 -6.079 1.00 51.04 H new ATOM 0 HG21 THR A 62 7.415 -6.266 -7.750 1.00 10.41 H new ATOM 0 HG22 THR A 62 7.193 -4.591 -7.192 1.00 10.41 H new ATOM 0 HG23 THR A 62 8.730 -5.434 -6.886 1.00 10.41 H new ATOM 1011 N ILE A 63 7.240 -2.675 -4.265 1.00 65.31 N ATOM 1012 CA ILE A 63 6.631 -1.341 -4.291 1.00 74.51 C ATOM 1013 C ILE A 63 7.256 -0.525 -5.433 1.00 45.33 C ATOM 1014 O ILE A 63 8.485 -0.407 -5.525 1.00 40.33 O ATOM 1015 CB ILE A 63 6.851 -0.621 -2.899 1.00 24.52 C ATOM 1016 CG1 ILE A 63 6.264 -1.500 -1.744 1.00 53.03 C ATOM 1017 CG2 ILE A 63 6.242 0.808 -2.884 1.00 71.01 C ATOM 1018 CD1 ILE A 63 6.614 -1.050 -0.348 1.00 33.34 C ATOM 0 H ILE A 63 8.220 -2.665 -3.982 1.00 65.31 H new ATOM 0 HA ILE A 63 5.558 -1.426 -4.463 1.00 74.51 H new ATOM 0 HB ILE A 63 7.924 -0.507 -2.742 1.00 24.52 H new ATOM 0 HG12 ILE A 63 5.178 -1.519 -1.840 1.00 53.03 H new ATOM 0 HG13 ILE A 63 6.613 -2.524 -1.876 1.00 53.03 H new ATOM 0 HG21 ILE A 63 6.415 1.267 -1.911 1.00 71.01 H new ATOM 0 HG22 ILE A 63 6.713 1.412 -3.659 1.00 71.01 H new ATOM 0 HG23 ILE A 63 5.170 0.749 -3.072 1.00 71.01 H new ATOM 0 HD11 ILE A 63 6.159 -1.725 0.377 1.00 33.34 H new ATOM 0 HD12 ILE A 63 7.697 -1.060 -0.223 1.00 33.34 H new ATOM 0 HD13 ILE A 63 6.240 -0.039 -0.187 1.00 33.34 H new ATOM 1030 N ARG A 64 6.398 0.017 -6.305 1.00 63.11 N ATOM 1031 CA ARG A 64 6.810 0.874 -7.422 1.00 73.53 C ATOM 1032 C ARG A 64 6.553 2.321 -6.997 1.00 41.23 C ATOM 1033 O ARG A 64 5.401 2.765 -6.984 1.00 70.12 O ATOM 1034 CB ARG A 64 6.012 0.512 -8.708 1.00 20.30 C ATOM 1035 CG ARG A 64 6.210 -0.946 -9.182 1.00 73.32 C ATOM 1036 CD ARG A 64 5.434 -1.269 -10.471 1.00 33.31 C ATOM 1037 NE ARG A 64 5.900 -0.476 -11.622 1.00 14.31 N ATOM 1038 CZ ARG A 64 5.445 -0.592 -12.881 1.00 34.34 C ATOM 1039 NH1 ARG A 64 4.504 -1.479 -13.195 1.00 43.34 N ATOM 1040 NH2 ARG A 64 5.941 0.182 -13.833 1.00 30.41 N ATOM 0 H ARG A 64 5.390 -0.128 -6.254 1.00 63.11 H new ATOM 0 HA ARG A 64 7.865 0.732 -7.656 1.00 73.53 H new ATOM 0 HB2 ARG A 64 4.951 0.683 -8.525 1.00 20.30 H new ATOM 0 HB3 ARG A 64 6.310 1.187 -9.510 1.00 20.30 H new ATOM 0 HG2 ARG A 64 7.272 -1.127 -9.348 1.00 73.32 H new ATOM 0 HG3 ARG A 64 5.891 -1.626 -8.392 1.00 73.32 H new ATOM 0 HD2 ARG A 64 5.538 -2.330 -10.698 1.00 33.31 H new ATOM 0 HD3 ARG A 64 4.373 -1.081 -10.310 1.00 33.31 H new ATOM 0 HE ARG A 64 6.627 0.218 -11.449 1.00 14.31 H new ATOM 0 HH11 ARG A 64 4.115 -2.086 -12.474 1.00 43.34 H new ATOM 0 HH12 ARG A 64 4.172 -1.551 -14.157 1.00 43.34 H new ATOM 0 HH21 ARG A 64 6.666 0.864 -13.610 1.00 30.41 H new ATOM 0 HH22 ARG A 64 5.598 0.097 -14.790 1.00 30.41 H new ATOM 1054 N LYS A 65 7.624 3.022 -6.594 1.00 12.43 N ATOM 1055 CA LYS A 65 7.526 4.381 -6.044 1.00 73.11 C ATOM 1056 C LYS A 65 7.867 5.413 -7.126 1.00 33.44 C ATOM 1057 O LYS A 65 8.977 5.415 -7.669 1.00 41.45 O ATOM 1058 CB LYS A 65 8.452 4.540 -4.803 1.00 54.01 C ATOM 1059 CG LYS A 65 8.255 5.878 -4.043 1.00 75.33 C ATOM 1060 CD LYS A 65 9.019 5.923 -2.697 1.00 74.30 C ATOM 1061 CE LYS A 65 8.646 7.143 -1.837 1.00 71.15 C ATOM 1062 NZ LYS A 65 9.397 7.168 -0.556 1.00 70.31 N ATOM 0 H LYS A 65 8.578 2.664 -6.640 1.00 12.43 H new ATOM 0 HA LYS A 65 6.501 4.555 -5.716 1.00 73.11 H new ATOM 0 HB2 LYS A 65 8.270 3.713 -4.117 1.00 54.01 H new ATOM 0 HB3 LYS A 65 9.491 4.465 -5.124 1.00 54.01 H new ATOM 0 HG2 LYS A 65 8.591 6.701 -4.674 1.00 75.33 H new ATOM 0 HG3 LYS A 65 7.192 6.032 -3.857 1.00 75.33 H new ATOM 0 HD2 LYS A 65 8.810 5.012 -2.136 1.00 74.30 H new ATOM 0 HD3 LYS A 65 10.091 5.938 -2.894 1.00 74.30 H new ATOM 0 HE2 LYS A 65 8.850 8.057 -2.395 1.00 71.15 H new ATOM 0 HE3 LYS A 65 7.576 7.128 -1.630 1.00 71.15 H new ATOM 0 HZ1 LYS A 65 9.331 8.116 -0.133 1.00 70.31 H new ATOM 0 HZ2 LYS A 65 8.991 6.469 0.098 1.00 70.31 H new ATOM 0 HZ3 LYS A 65 10.395 6.937 -0.734 1.00 70.31 H new ATOM 1076 N THR A 66 6.889 6.267 -7.448 1.00 53.34 N ATOM 1077 CA THR A 66 7.035 7.353 -8.424 1.00 63.11 C ATOM 1078 C THR A 66 6.458 8.635 -7.807 1.00 44.42 C ATOM 1079 O THR A 66 5.292 8.664 -7.415 1.00 24.11 O ATOM 1080 CB THR A 66 6.296 6.988 -9.757 1.00 72.41 C ATOM 1081 OG1 THR A 66 6.827 5.749 -10.270 1.00 13.14 O ATOM 1082 CG2 THR A 66 6.442 8.082 -10.834 1.00 33.53 C ATOM 0 H THR A 66 5.959 6.222 -7.031 1.00 53.34 H new ATOM 0 HA THR A 66 8.087 7.506 -8.664 1.00 63.11 H new ATOM 0 HB THR A 66 5.235 6.893 -9.526 1.00 72.41 H new ATOM 0 HG1 THR A 66 6.367 5.516 -11.103 1.00 13.14 H new ATOM 0 HG21 THR A 66 5.911 7.778 -11.736 1.00 33.53 H new ATOM 0 HG22 THR A 66 6.021 9.016 -10.463 1.00 33.53 H new ATOM 0 HG23 THR A 66 7.497 8.226 -11.065 1.00 33.53 H new ATOM 1090 N GLY A 67 7.287 9.683 -7.712 1.00 3.33 N ATOM 1091 CA GLY A 67 6.897 10.943 -7.075 1.00 61.15 C ATOM 1092 C GLY A 67 8.017 11.484 -6.211 1.00 2.22 C ATOM 1093 O GLY A 67 7.832 11.707 -5.013 1.00 62.43 O ATOM 0 H GLY A 67 8.241 9.680 -8.073 1.00 3.33 H new ATOM 0 HA2 GLY A 67 6.636 11.675 -7.839 1.00 61.15 H new ATOM 0 HA3 GLY A 67 6.006 10.786 -6.466 1.00 61.15 H new ATOM 1097 N GLY A 68 9.207 11.623 -6.827 1.00 10.31 N ATOM 1098 CA GLY A 68 10.389 12.212 -6.177 1.00 35.32 C ATOM 1099 C GLY A 68 10.553 13.688 -6.519 1.00 3.22 C ATOM 1100 O GLY A 68 11.259 14.417 -5.816 1.00 15.42 O ATOM 0 H GLY A 68 9.374 11.329 -7.789 1.00 10.31 H new ATOM 0 HA2 GLY A 68 10.303 12.098 -5.096 1.00 35.32 H new ATOM 0 HA3 GLY A 68 11.281 11.667 -6.485 1.00 35.32 H new ATOM 1104 N SER A 69 9.879 14.123 -7.599 1.00 32.51 N ATOM 1105 CA SER A 69 9.910 15.516 -8.084 1.00 62.34 C ATOM 1106 C SER A 69 8.810 16.365 -7.405 1.00 41.23 C ATOM 1107 O SER A 69 8.098 17.125 -8.060 1.00 11.41 O ATOM 1108 CB SER A 69 9.744 15.517 -9.630 1.00 61.20 C ATOM 1109 OG SER A 69 10.749 14.739 -10.249 1.00 11.43 O ATOM 0 H SER A 69 9.291 13.512 -8.166 1.00 32.51 H new ATOM 0 HA SER A 69 10.868 15.967 -7.825 1.00 62.34 H new ATOM 0 HB2 SER A 69 8.762 15.125 -9.894 1.00 61.20 H new ATOM 0 HB3 SER A 69 9.790 16.540 -10.003 1.00 61.20 H new ATOM 0 HG SER A 69 10.622 14.754 -11.221 1.00 11.43 H new ATOM 1115 N LEU A 70 8.713 16.257 -6.062 1.00 73.01 N ATOM 1116 CA LEU A 70 7.814 17.103 -5.239 1.00 43.22 C ATOM 1117 C LEU A 70 8.554 18.384 -4.798 1.00 51.14 C ATOM 1118 O LEU A 70 8.360 18.861 -3.672 1.00 51.14 O ATOM 1119 CB LEU A 70 7.287 16.302 -3.992 1.00 52.42 C ATOM 1120 CG LEU A 70 5.964 15.486 -4.175 1.00 70.14 C ATOM 1121 CD1 LEU A 70 6.060 14.449 -5.312 1.00 11.23 C ATOM 1122 CD2 LEU A 70 5.547 14.837 -2.837 1.00 2.40 C ATOM 0 H LEU A 70 9.253 15.584 -5.517 1.00 73.01 H new ATOM 0 HA LEU A 70 6.952 17.390 -5.841 1.00 43.22 H new ATOM 0 HB2 LEU A 70 8.070 15.611 -3.678 1.00 52.42 H new ATOM 0 HB3 LEU A 70 7.139 17.008 -3.175 1.00 52.42 H new ATOM 0 HG LEU A 70 5.184 16.185 -4.476 1.00 70.14 H new ATOM 0 HD11 LEU A 70 5.115 13.912 -5.395 1.00 11.23 H new ATOM 0 HD12 LEU A 70 6.272 14.958 -6.252 1.00 11.23 H new ATOM 0 HD13 LEU A 70 6.861 13.743 -5.094 1.00 11.23 H new ATOM 0 HD21 LEU A 70 4.625 14.272 -2.978 1.00 2.40 H new ATOM 0 HD22 LEU A 70 6.335 14.166 -2.497 1.00 2.40 H new ATOM 0 HD23 LEU A 70 5.385 15.614 -2.090 1.00 2.40 H new ATOM 1134 N GLU A 71 9.419 18.917 -5.696 1.00 70.20 N ATOM 1135 CA GLU A 71 10.183 20.173 -5.508 1.00 21.11 C ATOM 1136 C GLU A 71 11.336 20.038 -4.471 1.00 62.05 C ATOM 1137 O GLU A 71 12.263 20.856 -4.491 1.00 71.31 O ATOM 1138 CB GLU A 71 9.238 21.368 -5.150 1.00 14.55 C ATOM 1139 CG GLU A 71 8.052 21.570 -6.122 1.00 34.05 C ATOM 1140 CD GLU A 71 8.476 21.901 -7.564 1.00 70.11 C ATOM 1141 OE1 GLU A 71 8.823 23.068 -7.833 1.00 2.43 O ATOM 1142 OE2 GLU A 71 8.472 20.999 -8.427 1.00 75.41 O ATOM 0 H GLU A 71 9.609 18.473 -6.594 1.00 70.20 H new ATOM 0 HA GLU A 71 10.656 20.386 -6.467 1.00 21.11 H new ATOM 0 HB2 GLU A 71 8.844 21.213 -4.146 1.00 14.55 H new ATOM 0 HB3 GLU A 71 9.828 22.284 -5.123 1.00 14.55 H new ATOM 0 HG2 GLU A 71 7.444 20.665 -6.131 1.00 34.05 H new ATOM 0 HG3 GLU A 71 7.420 22.374 -5.746 1.00 34.05 H new ATOM 1149 N HIS A 72 11.282 18.973 -3.614 1.00 61.20 N ATOM 1150 CA HIS A 72 12.140 18.794 -2.420 1.00 21.24 C ATOM 1151 C HIS A 72 11.969 20.003 -1.473 1.00 12.44 C ATOM 1152 O HIS A 72 11.171 19.975 -0.535 1.00 74.12 O ATOM 1153 CB HIS A 72 13.646 18.547 -2.791 1.00 72.43 C ATOM 1154 CG HIS A 72 13.921 17.305 -3.587 1.00 52.21 C ATOM 1155 ND1 HIS A 72 14.815 16.333 -3.186 1.00 1.50 N ATOM 1156 CD2 HIS A 72 13.453 16.897 -4.785 1.00 21.21 C ATOM 1157 CE1 HIS A 72 14.881 15.392 -4.102 1.00 21.04 C ATOM 1158 NE2 HIS A 72 14.062 15.712 -5.083 1.00 72.10 N ATOM 0 H HIS A 72 10.624 18.205 -3.745 1.00 61.20 H new ATOM 0 HA HIS A 72 11.815 17.892 -1.901 1.00 21.24 H new ATOM 0 HB2 HIS A 72 14.009 19.406 -3.355 1.00 72.43 H new ATOM 0 HB3 HIS A 72 14.226 18.503 -1.869 1.00 72.43 H new ATOM 0 HD2 HIS A 72 12.728 17.414 -5.397 1.00 21.21 H new ATOM 0 HE1 HIS A 72 15.500 14.508 -4.058 1.00 21.04 H new ATOM 0 HE2 HIS A 72 13.908 15.163 -5.929 1.00 72.10 H new ATOM 1167 N HIS A 73 12.727 21.056 -1.773 1.00 11.52 N ATOM 1168 CA HIS A 73 12.633 22.382 -1.167 1.00 32.30 C ATOM 1169 C HIS A 73 13.031 23.361 -2.268 1.00 62.31 C ATOM 1170 O HIS A 73 14.101 23.182 -2.879 1.00 34.30 O ATOM 1171 CB HIS A 73 13.584 22.532 0.063 1.00 64.11 C ATOM 1172 CG HIS A 73 13.193 21.693 1.255 1.00 74.44 C ATOM 1173 ND1 HIS A 73 12.203 22.066 2.131 1.00 35.01 N ATOM 1174 CD2 HIS A 73 13.643 20.493 1.700 1.00 43.42 C ATOM 1175 CE1 HIS A 73 12.057 21.141 3.053 1.00 41.32 C ATOM 1176 NE2 HIS A 73 12.918 20.174 2.816 1.00 51.52 N ATOM 0 H HIS A 73 13.460 21.004 -2.481 1.00 11.52 H new ATOM 0 HA HIS A 73 11.626 22.565 -0.791 1.00 32.30 H new ATOM 0 HB2 HIS A 73 14.596 22.263 -0.240 1.00 64.11 H new ATOM 0 HB3 HIS A 73 13.609 23.580 0.363 1.00 64.11 H new ATOM 0 HD2 HIS A 73 14.428 19.899 1.256 1.00 43.42 H new ATOM 0 HE1 HIS A 73 11.349 21.169 3.868 1.00 41.32 H new ATOM 0 HE2 HIS A 73 13.027 19.326 3.373 1.00 51.52 H new ATOM 1185 N HIS A 74 12.161 24.350 -2.559 1.00 4.54 N ATOM 1186 CA HIS A 74 12.420 25.360 -3.602 1.00 42.44 C ATOM 1187 C HIS A 74 13.703 26.136 -3.285 1.00 44.11 C ATOM 1188 O HIS A 74 13.958 26.450 -2.114 1.00 71.52 O ATOM 1189 CB HIS A 74 11.231 26.332 -3.749 1.00 62.44 C ATOM 1190 CG HIS A 74 9.966 25.684 -4.231 1.00 21.02 C ATOM 1191 ND1 HIS A 74 8.858 25.484 -3.432 1.00 25.54 N ATOM 1192 CD2 HIS A 74 9.626 25.219 -5.452 1.00 31.14 C ATOM 1193 CE1 HIS A 74 7.902 24.928 -4.140 1.00 54.50 C ATOM 1194 NE2 HIS A 74 8.341 24.762 -5.367 1.00 21.42 N ATOM 0 H HIS A 74 11.268 24.469 -2.082 1.00 4.54 H new ATOM 0 HA HIS A 74 12.546 24.837 -4.550 1.00 42.44 H new ATOM 0 HB2 HIS A 74 11.040 26.804 -2.785 1.00 62.44 H new ATOM 0 HB3 HIS A 74 11.508 27.125 -4.443 1.00 62.44 H new ATOM 0 HD1 HIS A 74 8.792 25.730 -2.444 1.00 25.54 H new ATOM 0 HD2 HIS A 74 10.253 25.210 -6.332 1.00 31.14 H new ATOM 0 HE1 HIS A 74 6.923 24.654 -3.776 1.00 54.50 H new ATOM 1203 N HIS A 75 14.507 26.410 -4.333 1.00 43.42 N ATOM 1204 CA HIS A 75 15.806 27.093 -4.202 1.00 3.12 C ATOM 1205 C HIS A 75 15.578 28.504 -3.633 1.00 13.01 C ATOM 1206 O HIS A 75 15.147 29.404 -4.359 1.00 41.13 O ATOM 1207 CB HIS A 75 16.545 27.140 -5.568 1.00 62.15 C ATOM 1208 CG HIS A 75 16.708 25.788 -6.219 1.00 52.45 C ATOM 1209 ND1 HIS A 75 15.923 25.352 -7.265 1.00 72.23 N ATOM 1210 CD2 HIS A 75 17.569 24.777 -5.966 1.00 61.43 C ATOM 1211 CE1 HIS A 75 16.293 24.141 -7.621 1.00 65.21 C ATOM 1212 NE2 HIS A 75 17.290 23.773 -6.851 1.00 52.33 N ATOM 0 H HIS A 75 14.271 26.163 -5.294 1.00 43.42 H new ATOM 0 HA HIS A 75 16.443 26.537 -3.514 1.00 3.12 H new ATOM 0 HB2 HIS A 75 15.997 27.795 -6.245 1.00 62.15 H new ATOM 0 HB3 HIS A 75 17.530 27.584 -5.423 1.00 62.15 H new ATOM 0 HD2 HIS A 75 18.336 24.765 -5.205 1.00 61.43 H new ATOM 0 HE1 HIS A 75 15.852 23.551 -8.411 1.00 65.21 H new ATOM 0 HE2 HIS A 75 17.779 22.880 -6.904 1.00 52.33 H new ATOM 1221 N HIS A 76 15.801 28.626 -2.308 1.00 32.05 N ATOM 1222 CA HIS A 76 15.538 29.844 -1.519 1.00 4.13 C ATOM 1223 C HIS A 76 16.183 31.100 -2.163 1.00 63.11 C ATOM 1224 O HIS A 76 17.397 31.303 -2.101 1.00 24.02 O ATOM 1225 CB HIS A 76 16.006 29.648 -0.043 1.00 22.40 C ATOM 1226 CG HIS A 76 17.484 29.358 0.132 1.00 13.43 C ATOM 1227 ND1 HIS A 76 18.329 30.177 0.847 1.00 42.22 N ATOM 1228 CD2 HIS A 76 18.260 28.342 -0.326 1.00 44.34 C ATOM 1229 CE1 HIS A 76 19.548 29.686 0.810 1.00 43.52 C ATOM 1230 NE2 HIS A 76 19.531 28.577 0.112 1.00 33.15 N ATOM 0 H HIS A 76 16.177 27.863 -1.746 1.00 32.05 H new ATOM 0 HA HIS A 76 14.462 30.015 -1.514 1.00 4.13 H new ATOM 0 HB2 HIS A 76 15.759 30.547 0.522 1.00 22.40 H new ATOM 0 HB3 HIS A 76 15.437 28.829 0.396 1.00 22.40 H new ATOM 0 HD2 HIS A 76 17.933 27.505 -0.925 1.00 44.34 H new ATOM 0 HE1 HIS A 76 20.418 30.124 1.277 1.00 43.52 H new ATOM 0 HE2 HIS A 76 20.339 27.984 -0.074 1.00 33.15 H new ATOM 1239 N HIS A 77 15.345 31.892 -2.846 1.00 64.32 N ATOM 1240 CA HIS A 77 15.759 33.142 -3.492 1.00 72.33 C ATOM 1241 C HIS A 77 15.802 34.278 -2.437 1.00 60.13 C ATOM 1242 O HIS A 77 14.724 34.768 -2.026 1.00 52.10 O ATOM 1243 CB HIS A 77 14.795 33.481 -4.666 1.00 44.31 C ATOM 1244 CG HIS A 77 15.141 34.766 -5.377 1.00 2.14 C ATOM 1245 ND1 HIS A 77 14.630 35.989 -4.999 1.00 33.11 N ATOM 1246 CD2 HIS A 77 15.974 35.020 -6.413 1.00 11.12 C ATOM 1247 CE1 HIS A 77 15.135 36.929 -5.766 1.00 55.24 C ATOM 1248 NE2 HIS A 77 15.957 36.369 -6.630 1.00 43.34 N ATOM 1249 OXT HIS A 77 16.908 34.657 -2.005 1.00 37.98 O ATOM 0 H HIS A 77 14.354 31.680 -2.966 1.00 64.32 H new ATOM 0 HA HIS A 77 16.759 33.030 -3.911 1.00 72.33 H new ATOM 0 HB2 HIS A 77 14.809 32.662 -5.385 1.00 44.31 H new ATOM 0 HB3 HIS A 77 13.777 33.550 -4.282 1.00 44.31 H new ATOM 0 HD2 HIS A 77 16.547 34.291 -6.966 1.00 11.12 H new ATOM 0 HE1 HIS A 77 14.913 37.984 -5.699 1.00 55.24 H new ATOM 0 HE2 HIS A 77 16.493 36.862 -7.344 1.00 43.34 H new TER 1258 HIS A 77