USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 TYR N :NH3+ 152:sc= 0.769 (180deg=-0.0342) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.12 USER MOD Single : A 7 GLN : amide:sc= -3.4! C(o=-3.4!,f=-6.9!) USER MOD Single : A 8 ASN : amide:sc= -0.813 K(o=-0.81,f=-1.4) USER MOD Single : A 9 ASN : amide:sc= -3.48! K(o=-3.5!,f=-2.4) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.166 X(o=-0.17,f=0.00021) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -3.72! (180deg=-5.1!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -86:sc= -0.182 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.0928 X(o=-0.093,f=-0.25) USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 18.603 10.593 7.503 1.00 13.29 N ATOM 2 CA TYR A 1 19.775 11.514 7.552 1.00 13.38 C ATOM 3 C TYR A 1 20.511 11.474 6.209 1.00 11.94 C ATOM 4 O TYR A 1 21.723 11.542 6.159 1.00 11.81 O ATOM 5 CB TYR A 1 20.734 11.101 8.668 1.00 14.05 C ATOM 6 CG TYR A 1 19.952 10.361 9.757 1.00 15.05 C ATOM 7 CD1 TYR A 1 18.986 11.018 10.492 1.00 16.34 C ATOM 8 CD2 TYR A 1 20.198 9.028 10.016 1.00 14.83 C ATOM 9 CE1 TYR A 1 18.279 10.353 11.474 1.00 17.42 C ATOM 10 CE2 TYR A 1 19.491 8.363 10.997 1.00 15.97 C ATOM 11 CZ TYR A 1 18.526 9.021 11.734 1.00 17.29 C ATOM 12 OH TYR A 1 17.818 8.356 12.714 1.00 18.55 O ATOM 0 H1 TYR A 1 18.393 10.247 8.461 1.00 13.29 H new ATOM 0 H2 TYR A 1 17.777 11.102 7.130 1.00 13.29 H new ATOM 0 H3 TYR A 1 18.821 9.786 6.884 1.00 13.29 H new ATOM 0 HA TYR A 1 19.419 12.525 7.750 1.00 13.38 H new ATOM 0 HB2 TYR A 1 21.520 10.460 8.269 1.00 14.05 H new ATOM 0 HB3 TYR A 1 21.222 11.980 9.088 1.00 14.05 H new ATOM 0 HD1 TYR A 1 18.782 12.060 10.297 1.00 16.34 H new ATOM 0 HD2 TYR A 1 20.950 8.501 9.447 1.00 14.83 H new ATOM 0 HE1 TYR A 1 17.527 10.880 12.043 1.00 17.42 H new ATOM 0 HE2 TYR A 1 19.694 7.320 11.190 1.00 15.97 H new ATOM 0 HH TYR A 1 18.120 7.425 12.761 1.00 18.55 H new ATOM 24 N ALA A 2 19.759 11.359 5.148 1.00 11.08 N ATOM 25 CA ALA A 2 20.396 11.313 3.800 1.00 9.79 C ATOM 26 C ALA A 2 19.328 11.412 2.705 1.00 9.47 C ATOM 27 O ALA A 2 18.756 12.462 2.487 1.00 10.47 O ATOM 28 CB ALA A 2 21.163 10.000 3.653 1.00 8.53 C ATOM 0 H ALA A 2 18.741 11.295 5.155 1.00 11.08 H new ATOM 0 HA ALA A 2 21.081 12.155 3.697 1.00 9.79 H new ATOM 0 HB1 ALA A 2 21.631 9.960 2.669 1.00 8.53 H new ATOM 0 HB2 ALA A 2 21.932 9.939 4.423 1.00 8.53 H new ATOM 0 HB3 ALA A 2 20.474 9.162 3.761 1.00 8.53 H new ATOM 34 N SER A 3 19.089 10.311 2.044 1.00 8.22 N ATOM 35 CA SER A 3 18.062 10.301 0.953 1.00 7.98 C ATOM 36 C SER A 3 17.091 9.137 1.151 1.00 7.26 C ATOM 37 O SER A 3 16.051 9.285 1.762 1.00 7.78 O ATOM 38 CB SER A 3 18.768 10.149 -0.394 1.00 7.19 C ATOM 39 OG SER A 3 17.714 9.906 -1.312 1.00 7.44 O ATOM 0 H SER A 3 19.557 9.420 2.209 1.00 8.22 H new ATOM 0 HA SER A 3 17.502 11.236 0.979 1.00 7.98 H new ATOM 0 HB2 SER A 3 19.325 11.049 -0.656 1.00 7.19 H new ATOM 0 HB3 SER A 3 19.482 9.325 -0.379 1.00 7.19 H new ATOM 0 HG SER A 3 18.084 9.797 -2.213 1.00 7.44 H new ATOM 45 N LEU A 4 17.452 8.006 0.628 1.00 6.22 N ATOM 46 CA LEU A 4 16.568 6.810 0.767 1.00 5.81 C ATOM 47 C LEU A 4 16.546 6.325 2.221 1.00 6.13 C ATOM 48 O LEU A 4 16.065 5.247 2.510 1.00 6.15 O ATOM 49 CB LEU A 4 17.096 5.692 -0.131 1.00 4.98 C ATOM 50 CG LEU A 4 16.975 6.123 -1.594 1.00 4.64 C ATOM 51 CD1 LEU A 4 18.227 5.679 -2.355 1.00 3.45 C ATOM 52 CD2 LEU A 4 15.747 5.457 -2.216 1.00 5.31 C ATOM 0 H LEU A 4 18.317 7.851 0.110 1.00 6.22 H new ATOM 0 HA LEU A 4 15.554 7.082 0.473 1.00 5.81 H new ATOM 0 HB2 LEU A 4 18.136 5.475 0.112 1.00 4.98 H new ATOM 0 HB3 LEU A 4 16.531 4.775 0.039 1.00 4.98 H new ATOM 0 HG LEU A 4 16.874 7.207 -1.650 1.00 4.64 H new ATOM 0 HD11 LEU A 4 18.146 5.984 -3.398 1.00 3.45 H new ATOM 0 HD12 LEU A 4 19.107 6.142 -1.909 1.00 3.45 H new ATOM 0 HD13 LEU A 4 18.321 4.594 -2.300 1.00 3.45 H new ATOM 0 HD21 LEU A 4 15.657 5.761 -3.259 1.00 5.31 H new ATOM 0 HD22 LEU A 4 15.854 4.374 -2.162 1.00 5.31 H new ATOM 0 HD23 LEU A 4 14.853 5.761 -1.671 1.00 5.31 H new ATOM 64 N GLU A 5 17.068 7.129 3.106 1.00 6.76 N ATOM 65 CA GLU A 5 17.083 6.725 4.543 1.00 7.45 C ATOM 66 C GLU A 5 15.865 7.304 5.272 1.00 8.10 C ATOM 67 O GLU A 5 14.958 6.583 5.640 1.00 8.44 O ATOM 68 CB GLU A 5 18.364 7.245 5.195 1.00 8.25 C ATOM 69 CG GLU A 5 18.380 6.832 6.669 1.00 9.69 C ATOM 70 CD GLU A 5 19.725 6.183 6.997 1.00 10.08 C ATOM 71 OE1 GLU A 5 20.076 5.267 6.271 1.00 9.47 O ATOM 72 OE2 GLU A 5 20.327 6.641 7.955 1.00 11.11 O ATOM 0 H GLU A 5 17.481 8.039 2.901 1.00 6.76 H new ATOM 0 HA GLU A 5 17.046 5.638 4.610 1.00 7.45 H new ATOM 0 HB2 GLU A 5 19.237 6.842 4.682 1.00 8.25 H new ATOM 0 HB3 GLU A 5 18.416 8.330 5.108 1.00 8.25 H new ATOM 0 HG2 GLU A 5 18.219 7.703 7.304 1.00 9.69 H new ATOM 0 HG3 GLU A 5 17.567 6.134 6.872 1.00 9.69 H new ATOM 79 N GLU A 6 15.871 8.595 5.465 1.00 8.44 N ATOM 80 CA GLU A 6 14.721 9.237 6.171 1.00 9.19 C ATOM 81 C GLU A 6 13.474 9.218 5.280 1.00 8.04 C ATOM 82 O GLU A 6 13.386 9.955 4.317 1.00 7.36 O ATOM 83 CB GLU A 6 15.086 10.682 6.507 1.00 10.23 C ATOM 84 CG GLU A 6 14.920 10.904 8.012 1.00 11.77 C ATOM 85 CD GLU A 6 15.267 12.355 8.353 1.00 12.88 C ATOM 86 OE1 GLU A 6 14.735 13.214 7.669 1.00 13.19 O ATOM 87 OE2 GLU A 6 16.046 12.522 9.276 1.00 13.47 O ATOM 0 H GLU A 6 16.613 9.229 5.169 1.00 8.44 H new ATOM 0 HA GLU A 6 14.507 8.684 7.086 1.00 9.19 H new ATOM 0 HB2 GLU A 6 16.113 10.890 6.207 1.00 10.23 H new ATOM 0 HB3 GLU A 6 14.447 11.370 5.953 1.00 10.23 H new ATOM 0 HG2 GLU A 6 13.896 10.683 8.313 1.00 11.77 H new ATOM 0 HG3 GLU A 6 15.568 10.224 8.565 1.00 11.77 H new ATOM 94 N GLN A 7 12.535 8.374 5.624 1.00 8.07 N ATOM 95 CA GLN A 7 11.283 8.288 4.812 1.00 7.07 C ATOM 96 C GLN A 7 10.139 9.021 5.519 1.00 7.84 C ATOM 97 O GLN A 7 10.122 9.130 6.729 1.00 8.83 O ATOM 98 CB GLN A 7 10.907 6.818 4.630 1.00 6.74 C ATOM 99 CG GLN A 7 9.578 6.729 3.878 1.00 7.22 C ATOM 100 CD GLN A 7 8.430 6.628 4.887 1.00 8.72 C ATOM 101 OE1 GLN A 7 8.569 6.984 6.040 1.00 9.35 O ATOM 102 NE2 GLN A 7 7.282 6.147 4.494 1.00 9.47 N ATOM 0 H GLN A 7 12.580 7.745 6.426 1.00 8.07 H new ATOM 0 HA GLN A 7 11.453 8.754 3.842 1.00 7.07 H new ATOM 0 HB2 GLN A 7 11.688 6.296 4.076 1.00 6.74 H new ATOM 0 HB3 GLN A 7 10.823 6.329 5.600 1.00 6.74 H new ATOM 0 HG2 GLN A 7 9.445 7.607 3.246 1.00 7.22 H new ATOM 0 HG3 GLN A 7 9.577 5.860 3.220 1.00 7.22 H new ATOM 0 HE21 GLN A 7 7.159 5.846 3.527 1.00 9.47 H new ATOM 0 HE22 GLN A 7 6.508 6.072 5.154 1.00 9.47 H new ATOM 111 N ASN A 8 9.206 9.509 4.747 1.00 7.54 N ATOM 112 CA ASN A 8 8.054 10.236 5.357 1.00 8.35 C ATOM 113 C ASN A 8 6.800 10.049 4.497 1.00 8.00 C ATOM 114 O ASN A 8 6.098 9.065 4.625 1.00 7.94 O ATOM 115 CB ASN A 8 8.390 11.723 5.447 1.00 9.08 C ATOM 116 CG ASN A 8 9.432 11.943 6.546 1.00 9.40 C ATOM 117 OD1 ASN A 8 9.259 11.520 7.672 1.00 9.92 O ATOM 118 ND2 ASN A 8 10.524 12.598 6.262 1.00 9.32 N ATOM 0 H ASN A 8 9.190 9.437 3.730 1.00 7.54 H new ATOM 0 HA ASN A 8 7.864 9.837 6.354 1.00 8.35 H new ATOM 0 HB2 ASN A 8 8.773 12.079 4.491 1.00 9.08 H new ATOM 0 HB3 ASN A 8 7.490 12.298 5.664 1.00 9.08 H new ATOM 0 HD21 ASN A 8 11.228 12.753 6.984 1.00 9.32 H new ATOM 0 HD22 ASN A 8 10.674 12.955 5.318 1.00 9.32 H new ATOM 125 N ASN A 9 6.547 11.000 3.639 1.00 8.04 N ATOM 126 CA ASN A 9 5.345 10.897 2.758 1.00 8.02 C ATOM 127 C ASN A 9 5.672 11.431 1.358 1.00 7.68 C ATOM 128 O ASN A 9 5.036 12.350 0.878 1.00 8.90 O ATOM 129 CB ASN A 9 4.207 11.715 3.365 1.00 9.36 C ATOM 130 CG ASN A 9 4.247 11.590 4.890 1.00 9.76 C ATOM 131 OD1 ASN A 9 4.281 12.574 5.604 1.00 10.79 O ATOM 132 ND2 ASN A 9 4.243 10.401 5.431 1.00 9.16 N ATOM 0 H ASN A 9 7.114 11.838 3.509 1.00 8.04 H new ATOM 0 HA ASN A 9 5.046 9.852 2.676 1.00 8.02 H new ATOM 0 HB2 ASN A 9 4.300 12.761 3.072 1.00 9.36 H new ATOM 0 HB3 ASN A 9 3.248 11.362 2.985 1.00 9.36 H new ATOM 0 HD21 ASN A 9 4.268 10.302 6.446 1.00 9.16 H new ATOM 0 HD22 ASN A 9 4.215 9.571 4.839 1.00 9.16 H new ATOM 139 N ASP A 10 6.659 10.839 0.736 1.00 6.34 N ATOM 140 CA ASP A 10 7.052 11.287 -0.636 1.00 6.70 C ATOM 141 C ASP A 10 7.258 10.071 -1.547 1.00 5.80 C ATOM 142 O ASP A 10 7.900 10.163 -2.574 1.00 6.42 O ATOM 143 CB ASP A 10 8.354 12.082 -0.548 1.00 7.17 C ATOM 144 CG ASP A 10 8.386 12.855 0.772 1.00 7.78 C ATOM 145 OD1 ASP A 10 7.358 13.432 1.087 1.00 8.52 O ATOM 146 OD2 ASP A 10 9.437 12.826 1.390 1.00 7.68 O ATOM 0 H ASP A 10 7.208 10.068 1.116 1.00 6.34 H new ATOM 0 HA ASP A 10 6.262 11.912 -1.052 1.00 6.70 H new ATOM 0 HB2 ASP A 10 9.209 11.409 -0.609 1.00 7.17 H new ATOM 0 HB3 ASP A 10 8.430 12.772 -1.389 1.00 7.17 H new ATOM 151 N ALA A 11 6.709 8.956 -1.147 1.00 4.67 N ATOM 152 CA ALA A 11 6.864 7.725 -1.977 1.00 4.09 C ATOM 153 C ALA A 11 5.910 6.631 -1.483 1.00 3.44 C ATOM 154 O ALA A 11 6.060 6.118 -0.392 1.00 3.39 O ATOM 155 CB ALA A 11 8.304 7.228 -1.874 1.00 3.45 C ATOM 0 H ALA A 11 6.165 8.843 -0.291 1.00 4.67 H new ATOM 0 HA ALA A 11 6.626 7.960 -3.014 1.00 4.09 H new ATOM 0 HB1 ALA A 11 8.423 6.329 -2.479 1.00 3.45 H new ATOM 0 HB2 ALA A 11 8.982 8.001 -2.236 1.00 3.45 H new ATOM 0 HB3 ALA A 11 8.536 6.999 -0.834 1.00 3.45 H new ATOM 161 N LEU A 12 4.948 6.297 -2.300 1.00 3.12 N ATOM 162 CA LEU A 12 3.976 5.239 -1.895 1.00 2.61 C ATOM 163 C LEU A 12 4.515 3.854 -2.265 1.00 2.18 C ATOM 164 O LEU A 12 5.681 3.699 -2.570 1.00 2.02 O ATOM 165 CB LEU A 12 2.649 5.480 -2.616 1.00 2.49 C ATOM 166 CG LEU A 12 2.042 6.794 -2.123 1.00 2.84 C ATOM 167 CD1 LEU A 12 1.253 7.442 -3.264 1.00 3.03 C ATOM 168 CD2 LEU A 12 1.094 6.506 -0.957 1.00 2.82 C ATOM 0 H LEU A 12 4.793 6.706 -3.222 1.00 3.12 H new ATOM 0 HA LEU A 12 3.828 5.281 -0.816 1.00 2.61 H new ATOM 0 HB2 LEU A 12 2.809 5.521 -3.693 1.00 2.49 H new ATOM 0 HB3 LEU A 12 1.963 4.655 -2.426 1.00 2.49 H new ATOM 0 HG LEU A 12 2.835 7.465 -1.794 1.00 2.84 H new ATOM 0 HD11 LEU A 12 0.818 8.380 -2.919 1.00 3.03 H new ATOM 0 HD12 LEU A 12 1.921 7.639 -4.102 1.00 3.03 H new ATOM 0 HD13 LEU A 12 0.458 6.769 -3.585 1.00 3.03 H new ATOM 0 HD21 LEU A 12 0.659 7.440 -0.602 1.00 2.82 H new ATOM 0 HD22 LEU A 12 0.299 5.839 -1.291 1.00 2.82 H new ATOM 0 HD23 LEU A 12 1.648 6.033 -0.146 1.00 2.82 H new ATOM 180 N SER A 13 3.653 2.874 -2.228 1.00 2.07 N ATOM 181 CA SER A 13 4.096 1.493 -2.575 1.00 1.77 C ATOM 182 C SER A 13 3.959 1.263 -4.111 1.00 1.53 C ATOM 183 O SER A 13 2.857 1.275 -4.624 1.00 1.37 O ATOM 184 CB SER A 13 3.192 0.499 -1.845 1.00 2.15 C ATOM 185 OG SER A 13 4.013 -0.017 -0.807 1.00 2.02 O ATOM 0 H SER A 13 2.669 2.968 -1.975 1.00 2.07 H new ATOM 0 HA SER A 13 5.137 1.356 -2.282 1.00 1.77 H new ATOM 0 HB2 SER A 13 2.303 0.987 -1.445 1.00 2.15 H new ATOM 0 HB3 SER A 13 2.848 -0.292 -2.512 1.00 2.15 H new ATOM 0 HG SER A 13 3.505 -0.669 -0.282 1.00 2.02 H new ATOM 191 N PRO A 14 5.071 1.057 -4.832 1.00 1.59 N ATOM 192 CA PRO A 14 4.991 0.839 -6.285 1.00 1.46 C ATOM 193 C PRO A 14 4.167 -0.416 -6.597 1.00 1.17 C ATOM 194 O PRO A 14 3.766 -0.634 -7.723 1.00 1.04 O ATOM 195 CB PRO A 14 6.438 0.662 -6.755 1.00 1.69 C ATOM 196 CG PRO A 14 7.355 0.792 -5.503 1.00 2.01 C ATOM 197 CD PRO A 14 6.444 1.022 -4.283 1.00 1.86 C ATOM 0 HA PRO A 14 4.502 1.672 -6.791 1.00 1.46 H new ATOM 0 HB2 PRO A 14 6.571 -0.311 -7.229 1.00 1.69 H new ATOM 0 HB3 PRO A 14 6.695 1.416 -7.499 1.00 1.69 H new ATOM 0 HG2 PRO A 14 7.953 -0.110 -5.370 1.00 2.01 H new ATOM 0 HG3 PRO A 14 8.052 1.622 -5.623 1.00 2.01 H new ATOM 0 HD2 PRO A 14 6.556 0.223 -3.551 1.00 1.86 H new ATOM 0 HD3 PRO A 14 6.691 1.955 -3.777 1.00 1.86 H new ATOM 205 N ALA A 15 3.934 -1.214 -5.591 1.00 1.25 N ATOM 206 CA ALA A 15 3.139 -2.456 -5.811 1.00 1.01 C ATOM 207 C ALA A 15 1.663 -2.195 -5.495 1.00 0.74 C ATOM 208 O ALA A 15 0.844 -3.091 -5.555 1.00 0.48 O ATOM 209 CB ALA A 15 3.670 -3.559 -4.897 1.00 1.09 C ATOM 0 H ALA A 15 4.256 -1.062 -4.635 1.00 1.25 H new ATOM 0 HA ALA A 15 3.230 -2.764 -6.853 1.00 1.01 H new ATOM 0 HB1 ALA A 15 3.093 -4.470 -5.053 1.00 1.09 H new ATOM 0 HB2 ALA A 15 4.718 -3.750 -5.128 1.00 1.09 H new ATOM 0 HB3 ALA A 15 3.579 -3.245 -3.857 1.00 1.09 H new ATOM 215 N ILE A 16 1.356 -0.971 -5.163 1.00 0.91 N ATOM 216 CA ILE A 16 -0.060 -0.630 -4.840 1.00 0.80 C ATOM 217 C ILE A 16 -0.936 -0.769 -6.090 1.00 0.66 C ATOM 218 O ILE A 16 -2.147 -0.810 -6.001 1.00 0.68 O ATOM 219 CB ILE A 16 -0.123 0.809 -4.330 1.00 1.07 C ATOM 220 CG1 ILE A 16 -1.452 1.025 -3.598 1.00 1.02 C ATOM 221 CG2 ILE A 16 -0.038 1.770 -5.516 1.00 1.26 C ATOM 222 CD1 ILE A 16 -1.536 2.478 -3.128 1.00 1.33 C ATOM 0 H ILE A 16 2.018 -0.197 -5.101 1.00 0.91 H new ATOM 0 HA ILE A 16 -0.429 -1.313 -4.074 1.00 0.80 H new ATOM 0 HB ILE A 16 0.707 0.995 -3.649 1.00 1.07 H new ATOM 0 HG12 ILE A 16 -2.287 0.795 -4.260 1.00 1.02 H new ATOM 0 HG13 ILE A 16 -1.526 0.350 -2.746 1.00 1.02 H new ATOM 0 HG21 ILE A 16 -0.083 2.798 -5.156 1.00 1.26 H new ATOM 0 HG22 ILE A 16 0.901 1.612 -6.046 1.00 1.26 H new ATOM 0 HG23 ILE A 16 -0.872 1.587 -6.193 1.00 1.26 H new ATOM 0 HD11 ILE A 16 -2.480 2.638 -2.606 1.00 1.33 H new ATOM 0 HD12 ILE A 16 -0.707 2.690 -2.452 1.00 1.33 H new ATOM 0 HD13 ILE A 16 -1.481 3.143 -3.990 1.00 1.33 H new ATOM 234 N ARG A 17 -0.303 -0.838 -7.229 1.00 0.56 N ATOM 235 CA ARG A 17 -1.082 -0.974 -8.494 1.00 0.52 C ATOM 236 C ARG A 17 -1.561 -2.418 -8.668 1.00 0.30 C ATOM 237 O ARG A 17 -2.639 -2.662 -9.172 1.00 0.48 O ATOM 238 CB ARG A 17 -0.191 -0.589 -9.673 1.00 0.57 C ATOM 239 CG ARG A 17 -0.199 0.933 -9.831 1.00 1.13 C ATOM 240 CD ARG A 17 0.878 1.338 -10.838 1.00 1.20 C ATOM 241 NE ARG A 17 0.997 0.273 -11.874 1.00 2.65 N ATOM 242 CZ ARG A 17 2.174 -0.216 -12.157 1.00 3.57 C ATOM 243 NH1 ARG A 17 3.201 0.589 -12.188 1.00 3.76 N ATOM 244 NH2 ARG A 17 2.285 -1.493 -12.400 1.00 4.73 N ATOM 0 H ARG A 17 0.711 -0.807 -7.339 1.00 0.56 H new ATOM 0 HA ARG A 17 -1.951 -0.317 -8.453 1.00 0.52 H new ATOM 0 HB2 ARG A 17 0.826 -0.944 -9.507 1.00 0.57 H new ATOM 0 HB3 ARG A 17 -0.550 -1.064 -10.586 1.00 0.57 H new ATOM 0 HG2 ARG A 17 -1.178 1.270 -10.172 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -0.014 1.412 -8.869 1.00 1.13 H new ATOM 0 HD2 ARG A 17 0.620 2.289 -11.303 1.00 1.20 H new ATOM 0 HD3 ARG A 17 1.833 1.480 -10.332 1.00 1.20 H new ATOM 0 HE ARG A 17 0.167 -0.070 -12.357 1.00 2.65 H new ATOM 0 HH11 ARG A 17 3.076 1.582 -11.993 1.00 3.76 H new ATOM 0 HH12 ARG A 17 4.128 0.225 -12.407 1.00 3.76 H new ATOM 0 HH21 ARG A 17 1.460 -2.092 -12.367 1.00 4.73 H new ATOM 0 HH22 ARG A 17 3.197 -1.892 -12.623 1.00 4.73 H new ATOM 258 N ARG A 18 -0.748 -3.346 -8.244 1.00 0.23 N ATOM 259 CA ARG A 18 -1.139 -4.781 -8.378 1.00 0.41 C ATOM 260 C ARG A 18 -2.005 -5.206 -7.187 1.00 0.51 C ATOM 261 O ARG A 18 -2.636 -6.244 -7.216 1.00 0.63 O ATOM 262 CB ARG A 18 0.125 -5.639 -8.422 1.00 0.72 C ATOM 263 CG ARG A 18 0.921 -5.294 -9.682 1.00 0.73 C ATOM 264 CD ARG A 18 2.329 -5.881 -9.562 1.00 1.77 C ATOM 265 NE ARG A 18 2.227 -7.360 -9.407 1.00 2.67 N ATOM 266 CZ ARG A 18 3.315 -8.065 -9.259 1.00 3.45 C ATOM 267 NH1 ARG A 18 4.328 -7.537 -8.628 1.00 4.01 N ATOM 268 NH2 ARG A 18 3.353 -9.274 -9.747 1.00 3.89 N ATOM 0 H ARG A 18 0.162 -3.177 -7.814 1.00 0.23 H new ATOM 0 HA ARG A 18 -1.712 -4.915 -9.295 1.00 0.41 H new ATOM 0 HB2 ARG A 18 0.731 -5.461 -7.534 1.00 0.72 H new ATOM 0 HB3 ARG A 18 -0.138 -6.697 -8.422 1.00 0.72 H new ATOM 0 HG2 ARG A 18 0.421 -5.694 -10.564 1.00 0.73 H new ATOM 0 HG3 ARG A 18 0.974 -4.213 -9.809 1.00 0.73 H new ATOM 0 HD2 ARG A 18 2.916 -5.635 -10.447 1.00 1.77 H new ATOM 0 HD3 ARG A 18 2.846 -5.448 -8.706 1.00 1.77 H new ATOM 0 HE ARG A 18 1.315 -7.817 -9.417 1.00 2.67 H new ATOM 0 HH11 ARG A 18 4.261 -6.588 -8.260 1.00 4.01 H new ATOM 0 HH12 ARG A 18 5.187 -8.073 -8.503 1.00 4.01 H new ATOM 0 HH21 ARG A 18 2.541 -9.653 -10.234 1.00 3.89 H new ATOM 0 HH22 ARG A 18 4.195 -9.840 -9.641 1.00 3.89 H new ATOM 282 N LEU A 19 -2.015 -4.394 -6.166 1.00 0.53 N ATOM 283 CA LEU A 19 -2.834 -4.737 -4.966 1.00 0.74 C ATOM 284 C LEU A 19 -4.291 -4.985 -5.372 1.00 0.50 C ATOM 285 O LEU A 19 -4.920 -5.912 -4.902 1.00 0.54 O ATOM 286 CB LEU A 19 -2.773 -3.579 -3.972 1.00 0.98 C ATOM 287 CG LEU A 19 -3.319 -4.047 -2.622 1.00 1.33 C ATOM 288 CD1 LEU A 19 -2.165 -4.578 -1.768 1.00 1.62 C ATOM 289 CD2 LEU A 19 -3.971 -2.864 -1.904 1.00 1.56 C ATOM 0 H LEU A 19 -1.498 -3.517 -6.109 1.00 0.53 H new ATOM 0 HA LEU A 19 -2.437 -5.643 -4.508 1.00 0.74 H new ATOM 0 HB2 LEU A 19 -1.746 -3.232 -3.862 1.00 0.98 H new ATOM 0 HB3 LEU A 19 -3.356 -2.736 -4.341 1.00 0.98 H new ATOM 0 HG LEU A 19 -4.056 -4.835 -2.778 1.00 1.33 H new ATOM 0 HD11 LEU A 19 -2.549 -4.913 -0.805 1.00 1.62 H new ATOM 0 HD12 LEU A 19 -1.689 -5.415 -2.279 1.00 1.62 H new ATOM 0 HD13 LEU A 19 -1.434 -3.785 -1.611 1.00 1.62 H new ATOM 0 HD21 LEU A 19 -4.362 -3.193 -0.941 1.00 1.56 H new ATOM 0 HD22 LEU A 19 -3.230 -2.081 -1.746 1.00 1.56 H new ATOM 0 HD23 LEU A 19 -4.787 -2.474 -2.512 1.00 1.56 H new ATOM 301 N LEU A 20 -4.794 -4.149 -6.239 1.00 0.30 N ATOM 302 CA LEU A 20 -6.208 -4.322 -6.687 1.00 0.25 C ATOM 303 C LEU A 20 -6.345 -5.594 -7.531 1.00 0.29 C ATOM 304 O LEU A 20 -7.303 -6.329 -7.398 1.00 0.53 O ATOM 305 CB LEU A 20 -6.618 -3.110 -7.522 1.00 0.56 C ATOM 306 CG LEU A 20 -7.000 -1.961 -6.585 1.00 0.94 C ATOM 307 CD1 LEU A 20 -6.680 -0.630 -7.266 1.00 1.06 C ATOM 308 CD2 LEU A 20 -8.500 -2.029 -6.292 1.00 1.34 C ATOM 0 H LEU A 20 -4.295 -3.362 -6.653 1.00 0.30 H new ATOM 0 HA LEU A 20 -6.854 -4.409 -5.813 1.00 0.25 H new ATOM 0 HB2 LEU A 20 -5.798 -2.807 -8.173 1.00 0.56 H new ATOM 0 HB3 LEU A 20 -7.459 -3.365 -8.167 1.00 0.56 H new ATOM 0 HG LEU A 20 -6.439 -2.042 -5.654 1.00 0.94 H new ATOM 0 HD11 LEU A 20 -6.950 0.192 -6.603 1.00 1.06 H new ATOM 0 HD12 LEU A 20 -5.614 -0.582 -7.488 1.00 1.06 H new ATOM 0 HD13 LEU A 20 -7.248 -0.550 -8.193 1.00 1.06 H new ATOM 0 HD21 LEU A 20 -8.778 -1.213 -5.625 1.00 1.34 H new ATOM 0 HD22 LEU A 20 -9.057 -1.941 -7.225 1.00 1.34 H new ATOM 0 HD23 LEU A 20 -8.735 -2.982 -5.817 1.00 1.34 H new ATOM 320 N ALA A 21 -5.384 -5.825 -8.382 1.00 0.27 N ATOM 321 CA ALA A 21 -5.445 -7.043 -9.243 1.00 0.61 C ATOM 322 C ALA A 21 -5.164 -8.297 -8.408 1.00 0.75 C ATOM 323 O ALA A 21 -5.230 -9.404 -8.905 1.00 1.05 O ATOM 324 CB ALA A 21 -4.400 -6.925 -10.351 1.00 0.79 C ATOM 0 H ALA A 21 -4.566 -5.231 -8.519 1.00 0.27 H new ATOM 0 HA ALA A 21 -6.441 -7.125 -9.678 1.00 0.61 H new ATOM 0 HB1 ALA A 21 -4.439 -7.812 -10.984 1.00 0.79 H new ATOM 0 HB2 ALA A 21 -4.606 -6.040 -10.953 1.00 0.79 H new ATOM 0 HB3 ALA A 21 -3.408 -6.839 -9.908 1.00 0.79 H new ATOM 330 N GLU A 22 -4.856 -8.097 -7.155 1.00 0.83 N ATOM 331 CA GLU A 22 -4.571 -9.267 -6.276 1.00 1.15 C ATOM 332 C GLU A 22 -5.867 -9.773 -5.634 1.00 1.03 C ATOM 333 O GLU A 22 -6.109 -10.962 -5.572 1.00 1.09 O ATOM 334 CB GLU A 22 -3.590 -8.846 -5.181 1.00 1.41 C ATOM 335 CG GLU A 22 -3.032 -10.095 -4.499 1.00 1.76 C ATOM 336 CD GLU A 22 -1.657 -10.421 -5.087 1.00 1.08 C ATOM 337 OE1 GLU A 22 -1.521 -10.230 -6.283 1.00 0.89 O ATOM 338 OE2 GLU A 22 -0.821 -10.844 -4.305 1.00 1.82 O ATOM 0 H GLU A 22 -4.790 -7.184 -6.706 1.00 0.83 H new ATOM 0 HA GLU A 22 -4.137 -10.068 -6.875 1.00 1.15 H new ATOM 0 HB2 GLU A 22 -2.779 -8.258 -5.610 1.00 1.41 H new ATOM 0 HB3 GLU A 22 -4.092 -8.212 -4.450 1.00 1.41 H new ATOM 0 HG2 GLU A 22 -2.951 -9.931 -3.424 1.00 1.76 H new ATOM 0 HG3 GLU A 22 -3.710 -10.936 -4.643 1.00 1.76 H new ATOM 345 N HIS A 23 -6.674 -8.855 -5.172 1.00 0.90 N ATOM 346 CA HIS A 23 -7.961 -9.260 -4.532 1.00 0.81 C ATOM 347 C HIS A 23 -9.112 -9.122 -5.535 1.00 0.48 C ATOM 348 O HIS A 23 -10.129 -9.775 -5.411 1.00 0.49 O ATOM 349 CB HIS A 23 -8.226 -8.360 -3.326 1.00 0.98 C ATOM 350 CG HIS A 23 -6.933 -8.196 -2.524 1.00 1.35 C ATOM 351 ND1 HIS A 23 -6.427 -9.078 -1.790 1.00 1.82 N ATOM 352 CD2 HIS A 23 -6.082 -7.112 -2.431 1.00 1.35 C ATOM 353 CE1 HIS A 23 -5.353 -8.666 -1.248 1.00 2.05 C ATOM 354 NE2 HIS A 23 -5.054 -7.419 -1.600 1.00 1.76 N ATOM 0 H HIS A 23 -6.501 -7.851 -5.209 1.00 0.90 H new ATOM 0 HA HIS A 23 -7.893 -10.299 -4.211 1.00 0.81 H new ATOM 0 HB2 HIS A 23 -8.588 -7.387 -3.657 1.00 0.98 H new ATOM 0 HB3 HIS A 23 -9.004 -8.793 -2.698 1.00 0.98 H new ATOM 0 HD2 HIS A 23 -6.214 -6.168 -2.940 1.00 1.35 H new ATOM 0 HE1 HIS A 23 -4.751 -9.262 -0.577 1.00 2.05 H new ATOM 0 HE2 HIS A 23 -4.260 -6.844 -1.319 1.00 1.76 H new ATOM 362 N ASN A 24 -8.924 -8.274 -6.508 1.00 0.51 N ATOM 363 CA ASN A 24 -9.993 -8.080 -7.531 1.00 0.33 C ATOM 364 C ASN A 24 -11.162 -7.287 -6.940 1.00 0.38 C ATOM 365 O ASN A 24 -12.309 -7.569 -7.223 1.00 0.76 O ATOM 366 CB ASN A 24 -10.491 -9.445 -8.001 1.00 0.54 C ATOM 367 CG ASN A 24 -10.834 -9.374 -9.489 1.00 0.45 C ATOM 368 OD1 ASN A 24 -11.806 -8.761 -9.885 1.00 1.31 O ATOM 369 ND2 ASN A 24 -10.065 -9.985 -10.348 1.00 0.97 N ATOM 0 H ASN A 24 -8.084 -7.711 -6.640 1.00 0.51 H new ATOM 0 HA ASN A 24 -9.582 -7.522 -8.373 1.00 0.33 H new ATOM 0 HB2 ASN A 24 -9.727 -10.203 -7.828 1.00 0.54 H new ATOM 0 HB3 ASN A 24 -11.369 -9.741 -7.428 1.00 0.54 H new ATOM 0 HD21 ASN A 24 -10.281 -9.946 -11.344 1.00 0.97 H new ATOM 0 HD22 ASN A 24 -9.247 -10.501 -10.023 1.00 0.97 H new ATOM 376 N LEU A 25 -10.839 -6.310 -6.132 1.00 0.49 N ATOM 377 CA LEU A 25 -11.915 -5.477 -5.508 1.00 0.59 C ATOM 378 C LEU A 25 -11.969 -4.100 -6.178 1.00 0.43 C ATOM 379 O LEU A 25 -10.984 -3.625 -6.707 1.00 0.45 O ATOM 380 CB LEU A 25 -11.615 -5.308 -4.017 1.00 0.91 C ATOM 381 CG LEU A 25 -12.228 -6.479 -3.243 1.00 1.33 C ATOM 382 CD1 LEU A 25 -11.409 -6.727 -1.975 1.00 1.55 C ATOM 383 CD2 LEU A 25 -13.666 -6.127 -2.850 1.00 1.48 C ATOM 0 H LEU A 25 -9.885 -6.053 -5.878 1.00 0.49 H new ATOM 0 HA LEU A 25 -12.877 -5.972 -5.640 1.00 0.59 H new ATOM 0 HB2 LEU A 25 -10.538 -5.272 -3.853 1.00 0.91 H new ATOM 0 HB3 LEU A 25 -12.024 -4.364 -3.656 1.00 0.91 H new ATOM 0 HG LEU A 25 -12.225 -7.373 -3.866 1.00 1.33 H new ATOM 0 HD11 LEU A 25 -11.841 -7.560 -1.420 1.00 1.55 H new ATOM 0 HD12 LEU A 25 -10.381 -6.966 -2.247 1.00 1.55 H new ATOM 0 HD13 LEU A 25 -11.421 -5.832 -1.353 1.00 1.55 H new ATOM 0 HD21 LEU A 25 -14.106 -6.958 -2.299 1.00 1.48 H new ATOM 0 HD22 LEU A 25 -13.664 -5.236 -2.222 1.00 1.48 H new ATOM 0 HD23 LEU A 25 -14.253 -5.936 -3.749 1.00 1.48 H new ATOM 395 N ASP A 26 -13.122 -3.489 -6.140 1.00 0.39 N ATOM 396 CA ASP A 26 -13.259 -2.143 -6.771 1.00 0.34 C ATOM 397 C ASP A 26 -13.056 -1.043 -5.725 1.00 0.34 C ATOM 398 O ASP A 26 -13.946 -0.745 -4.954 1.00 0.66 O ATOM 399 CB ASP A 26 -14.655 -2.017 -7.378 1.00 0.56 C ATOM 400 CG ASP A 26 -14.533 -1.800 -8.888 1.00 1.58 C ATOM 401 OD1 ASP A 26 -13.840 -0.862 -9.245 1.00 2.59 O ATOM 402 OD2 ASP A 26 -15.141 -2.584 -9.598 1.00 1.80 O ATOM 0 H ASP A 26 -13.967 -3.858 -5.705 1.00 0.39 H new ATOM 0 HA ASP A 26 -12.503 -2.032 -7.548 1.00 0.34 H new ATOM 0 HB2 ASP A 26 -15.235 -2.917 -7.174 1.00 0.56 H new ATOM 0 HB3 ASP A 26 -15.189 -1.184 -6.921 1.00 0.56 H new ATOM 407 N ALA A 27 -11.887 -0.462 -5.723 1.00 0.25 N ATOM 408 CA ALA A 27 -11.611 0.622 -4.736 1.00 0.25 C ATOM 409 C ALA A 27 -12.745 1.652 -4.753 1.00 0.24 C ATOM 410 O ALA A 27 -12.861 2.467 -3.859 1.00 0.23 O ATOM 411 CB ALA A 27 -10.294 1.305 -5.100 1.00 0.38 C ATOM 0 H ALA A 27 -11.118 -0.687 -6.354 1.00 0.25 H new ATOM 0 HA ALA A 27 -11.542 0.191 -3.737 1.00 0.25 H new ATOM 0 HB1 ALA A 27 -10.085 2.099 -4.383 1.00 0.38 H new ATOM 0 HB2 ALA A 27 -9.486 0.574 -5.077 1.00 0.38 H new ATOM 0 HB3 ALA A 27 -10.369 1.731 -6.101 1.00 0.38 H new ATOM 417 N SER A 28 -13.557 1.593 -5.773 1.00 0.31 N ATOM 418 CA SER A 28 -14.688 2.562 -5.867 1.00 0.41 C ATOM 419 C SER A 28 -15.454 2.613 -4.541 1.00 0.42 C ATOM 420 O SER A 28 -16.062 3.612 -4.212 1.00 0.59 O ATOM 421 CB SER A 28 -15.632 2.119 -6.983 1.00 0.38 C ATOM 422 OG SER A 28 -16.894 2.001 -6.343 1.00 1.33 O ATOM 0 H SER A 28 -13.489 0.923 -6.539 1.00 0.31 H new ATOM 0 HA SER A 28 -14.293 3.555 -6.084 1.00 0.41 H new ATOM 0 HB2 SER A 28 -15.662 2.848 -7.792 1.00 0.38 H new ATOM 0 HB3 SER A 28 -15.316 1.171 -7.419 1.00 0.38 H new ATOM 0 HG SER A 28 -17.567 1.719 -6.997 1.00 1.33 H new ATOM 428 N ALA A 29 -15.408 1.534 -3.810 1.00 0.33 N ATOM 429 CA ALA A 29 -16.130 1.503 -2.504 1.00 0.53 C ATOM 430 C ALA A 29 -15.198 1.950 -1.373 1.00 0.59 C ATOM 431 O ALA A 29 -15.604 2.660 -0.474 1.00 1.01 O ATOM 432 CB ALA A 29 -16.613 0.079 -2.232 1.00 0.57 C ATOM 0 H ALA A 29 -14.908 0.680 -4.055 1.00 0.33 H new ATOM 0 HA ALA A 29 -16.981 2.182 -2.549 1.00 0.53 H new ATOM 0 HB1 ALA A 29 -17.141 0.050 -1.279 1.00 0.57 H new ATOM 0 HB2 ALA A 29 -17.286 -0.236 -3.030 1.00 0.57 H new ATOM 0 HB3 ALA A 29 -15.757 -0.594 -2.193 1.00 0.57 H new ATOM 438 N ILE A 30 -13.967 1.527 -1.445 1.00 0.24 N ATOM 439 CA ILE A 30 -12.995 1.916 -0.381 1.00 0.33 C ATOM 440 C ILE A 30 -12.690 3.415 -0.473 1.00 0.51 C ATOM 441 O ILE A 30 -12.647 3.977 -1.550 1.00 0.50 O ATOM 442 CB ILE A 30 -11.696 1.116 -0.571 1.00 0.28 C ATOM 443 CG1 ILE A 30 -12.032 -0.381 -0.723 1.00 0.13 C ATOM 444 CG2 ILE A 30 -10.765 1.331 0.640 1.00 0.37 C ATOM 445 CD1 ILE A 30 -12.925 -0.838 0.438 1.00 0.09 C ATOM 0 H ILE A 30 -13.593 0.934 -2.186 1.00 0.24 H new ATOM 0 HA ILE A 30 -13.424 1.701 0.598 1.00 0.33 H new ATOM 0 HB ILE A 30 -11.186 1.462 -1.470 1.00 0.28 H new ATOM 0 HG12 ILE A 30 -12.539 -0.554 -1.672 1.00 0.13 H new ATOM 0 HG13 ILE A 30 -11.114 -0.968 -0.740 1.00 0.13 H new ATOM 0 HG21 ILE A 30 -9.847 0.761 0.499 1.00 0.37 H new ATOM 0 HG22 ILE A 30 -10.525 2.390 0.731 1.00 0.37 H new ATOM 0 HG23 ILE A 30 -11.265 0.994 1.548 1.00 0.37 H new ATOM 0 HD11 ILE A 30 -13.158 -1.897 0.323 1.00 0.09 H new ATOM 0 HD12 ILE A 30 -12.403 -0.682 1.382 1.00 0.09 H new ATOM 0 HD13 ILE A 30 -13.850 -0.261 0.435 1.00 0.09 H new ATOM 457 N LYS A 31 -12.484 4.029 0.660 1.00 0.72 N ATOM 458 CA LYS A 31 -12.178 5.490 0.660 1.00 0.90 C ATOM 459 C LYS A 31 -10.666 5.713 0.749 1.00 1.00 C ATOM 460 O LYS A 31 -9.888 4.804 0.541 1.00 1.72 O ATOM 461 CB LYS A 31 -12.860 6.143 1.861 1.00 0.98 C ATOM 462 CG LYS A 31 -12.439 5.407 3.136 1.00 2.43 C ATOM 463 CD LYS A 31 -13.679 4.806 3.811 1.00 2.34 C ATOM 464 CE LYS A 31 -14.634 5.927 4.254 1.00 1.77 C ATOM 465 NZ LYS A 31 -14.026 7.273 4.041 1.00 2.57 N ATOM 0 H LYS A 31 -12.514 3.588 1.579 1.00 0.72 H new ATOM 0 HA LYS A 31 -12.546 5.934 -0.265 1.00 0.90 H new ATOM 0 HB2 LYS A 31 -12.583 7.195 1.925 1.00 0.98 H new ATOM 0 HB3 LYS A 31 -13.943 6.105 1.745 1.00 0.98 H new ATOM 0 HG2 LYS A 31 -11.725 4.620 2.895 1.00 2.43 H new ATOM 0 HG3 LYS A 31 -11.938 6.095 3.817 1.00 2.43 H new ATOM 0 HD2 LYS A 31 -14.189 4.135 3.120 1.00 2.34 H new ATOM 0 HD3 LYS A 31 -13.380 4.210 4.673 1.00 2.34 H new ATOM 0 HE2 LYS A 31 -15.567 5.855 3.695 1.00 1.77 H new ATOM 0 HE3 LYS A 31 -14.883 5.801 5.308 1.00 1.77 H new ATOM 0 HZ1 LYS A 31 -14.567 7.986 4.570 1.00 2.57 H new ATOM 0 HZ2 LYS A 31 -13.042 7.266 4.376 1.00 2.57 H new ATOM 0 HZ3 LYS A 31 -14.045 7.506 3.028 1.00 2.57 H new ATOM 479 N GLY A 32 -10.283 6.922 1.057 1.00 1.19 N ATOM 480 CA GLY A 32 -8.827 7.224 1.166 1.00 1.24 C ATOM 481 C GLY A 32 -8.592 8.348 2.175 1.00 1.50 C ATOM 482 O GLY A 32 -9.402 9.244 2.309 1.00 1.62 O ATOM 0 H GLY A 32 -10.908 7.707 1.236 1.00 1.19 H new ATOM 0 HA2 GLY A 32 -8.285 6.330 1.475 1.00 1.24 H new ATOM 0 HA3 GLY A 32 -8.435 7.513 0.191 1.00 1.24 H new ATOM 486 N THR A 33 -7.486 8.279 2.865 1.00 1.86 N ATOM 487 CA THR A 33 -7.183 9.338 3.870 1.00 2.11 C ATOM 488 C THR A 33 -5.668 9.511 4.019 1.00 2.37 C ATOM 489 O THR A 33 -5.056 8.925 4.890 1.00 3.32 O ATOM 490 CB THR A 33 -7.785 8.933 5.217 1.00 1.91 C ATOM 491 OG1 THR A 33 -7.747 7.510 5.219 1.00 1.33 O ATOM 492 CG2 THR A 33 -9.265 9.296 5.301 1.00 1.86 C ATOM 0 H THR A 33 -6.785 7.543 2.778 1.00 1.86 H new ATOM 0 HA THR A 33 -7.613 10.283 3.537 1.00 2.11 H new ATOM 0 HB THR A 33 -7.244 9.422 6.027 1.00 1.91 H new ATOM 0 HG1 THR A 33 -8.119 7.174 6.061 1.00 1.33 H new ATOM 0 HG21 THR A 33 -9.659 8.994 6.271 1.00 1.86 H new ATOM 0 HG22 THR A 33 -9.383 10.373 5.181 1.00 1.86 H new ATOM 0 HG23 THR A 33 -9.811 8.781 4.511 1.00 1.86 H new ATOM 500 N GLY A 34 -5.094 10.311 3.162 1.00 2.01 N ATOM 501 CA GLY A 34 -3.623 10.534 3.241 1.00 2.11 C ATOM 502 C GLY A 34 -3.268 11.932 2.732 1.00 2.26 C ATOM 503 O GLY A 34 -4.120 12.792 2.628 1.00 2.36 O ATOM 0 H GLY A 34 -5.575 10.815 2.417 1.00 2.01 H new ATOM 0 HA2 GLY A 34 -3.286 10.419 4.271 1.00 2.11 H new ATOM 0 HA3 GLY A 34 -3.102 9.781 2.649 1.00 2.11 H new ATOM 507 N VAL A 35 -2.015 12.131 2.426 1.00 2.39 N ATOM 508 CA VAL A 35 -1.589 13.470 1.922 1.00 2.73 C ATOM 509 C VAL A 35 -2.076 13.672 0.484 1.00 3.04 C ATOM 510 O VAL A 35 -1.801 12.870 -0.386 1.00 3.60 O ATOM 511 CB VAL A 35 -0.064 13.555 1.960 1.00 2.91 C ATOM 512 CG1 VAL A 35 0.388 14.824 1.236 1.00 3.42 C ATOM 513 CG2 VAL A 35 0.399 13.615 3.417 1.00 2.64 C ATOM 0 H VAL A 35 -1.274 11.434 2.501 1.00 2.39 H new ATOM 0 HA VAL A 35 -2.021 14.247 2.553 1.00 2.73 H new ATOM 0 HB VAL A 35 0.366 12.680 1.472 1.00 2.91 H new ATOM 0 HG11 VAL A 35 1.476 14.889 1.261 1.00 3.42 H new ATOM 0 HG12 VAL A 35 0.050 14.792 0.200 1.00 3.42 H new ATOM 0 HG13 VAL A 35 -0.039 15.697 1.730 1.00 3.42 H new ATOM 0 HG21 VAL A 35 1.487 13.676 3.451 1.00 2.64 H new ATOM 0 HG22 VAL A 35 -0.029 14.494 3.899 1.00 2.64 H new ATOM 0 HG23 VAL A 35 0.069 12.718 3.941 1.00 2.64 H new ATOM 523 N GLY A 36 -2.792 14.742 0.266 1.00 3.03 N ATOM 524 CA GLY A 36 -3.304 15.011 -1.106 1.00 3.27 C ATOM 525 C GLY A 36 -4.514 14.123 -1.408 1.00 2.92 C ATOM 526 O GLY A 36 -4.778 13.797 -2.548 1.00 3.27 O ATOM 0 H GLY A 36 -3.042 15.435 0.972 1.00 3.03 H new ATOM 0 HA2 GLY A 36 -3.583 16.061 -1.197 1.00 3.27 H new ATOM 0 HA3 GLY A 36 -2.517 14.826 -1.837 1.00 3.27 H new ATOM 530 N GLY A 37 -5.225 13.753 -0.379 1.00 2.46 N ATOM 531 CA GLY A 37 -6.420 12.888 -0.586 1.00 2.23 C ATOM 532 C GLY A 37 -6.084 11.730 -1.527 1.00 1.81 C ATOM 533 O GLY A 37 -6.777 11.496 -2.498 1.00 1.76 O ATOM 0 H GLY A 37 -5.032 14.010 0.589 1.00 2.46 H new ATOM 0 HA2 GLY A 37 -6.765 12.498 0.372 1.00 2.23 H new ATOM 0 HA3 GLY A 37 -7.236 13.478 -1.003 1.00 2.23 H new ATOM 537 N ARG A 38 -5.025 11.027 -1.215 1.00 1.64 N ATOM 538 CA ARG A 38 -4.621 9.874 -2.079 1.00 1.27 C ATOM 539 C ARG A 38 -5.016 8.551 -1.414 1.00 1.04 C ATOM 540 O ARG A 38 -5.097 8.460 -0.205 1.00 1.02 O ATOM 541 CB ARG A 38 -3.107 9.909 -2.277 1.00 1.41 C ATOM 542 CG ARG A 38 -2.745 9.105 -3.529 1.00 2.17 C ATOM 543 CD ARG A 38 -2.624 10.059 -4.719 1.00 2.14 C ATOM 544 NE ARG A 38 -3.696 11.089 -4.628 1.00 1.96 N ATOM 545 CZ ARG A 38 -4.738 10.999 -5.409 1.00 3.36 C ATOM 546 NH1 ARG A 38 -5.126 9.820 -5.811 1.00 4.20 N ATOM 547 NH2 ARG A 38 -5.358 12.092 -5.761 1.00 4.23 N ATOM 0 H ARG A 38 -4.427 11.198 -0.407 1.00 1.64 H new ATOM 0 HA ARG A 38 -5.127 9.950 -3.041 1.00 1.27 H new ATOM 0 HB2 ARG A 38 -2.765 10.939 -2.380 1.00 1.41 H new ATOM 0 HB3 ARG A 38 -2.604 9.492 -1.404 1.00 1.41 H new ATOM 0 HG2 ARG A 38 -1.806 8.574 -3.376 1.00 2.17 H new ATOM 0 HG3 ARG A 38 -3.508 8.352 -3.726 1.00 2.17 H new ATOM 0 HD2 ARG A 38 -1.644 10.536 -4.721 1.00 2.14 H new ATOM 0 HD3 ARG A 38 -2.712 9.506 -5.654 1.00 2.14 H new ATOM 0 HE ARG A 38 -3.617 11.857 -3.962 1.00 1.96 H new ATOM 0 HH11 ARG A 38 -4.617 8.987 -5.515 1.00 4.20 H new ATOM 0 HH12 ARG A 38 -5.938 9.731 -6.422 1.00 4.20 H new ATOM 0 HH21 ARG A 38 -5.026 12.997 -5.426 1.00 4.23 H new ATOM 0 HH22 ARG A 38 -6.174 12.042 -6.371 1.00 4.23 H new ATOM 561 N LEU A 39 -5.253 7.552 -2.221 1.00 0.89 N ATOM 562 CA LEU A 39 -5.642 6.227 -1.652 1.00 0.67 C ATOM 563 C LEU A 39 -4.392 5.474 -1.180 1.00 0.59 C ATOM 564 O LEU A 39 -3.578 5.055 -1.979 1.00 0.70 O ATOM 565 CB LEU A 39 -6.366 5.413 -2.734 1.00 0.52 C ATOM 566 CG LEU A 39 -6.542 3.957 -2.273 1.00 0.55 C ATOM 567 CD1 LEU A 39 -7.143 3.930 -0.866 1.00 1.11 C ATOM 568 CD2 LEU A 39 -7.493 3.242 -3.235 1.00 0.33 C ATOM 0 H LEU A 39 -5.195 7.593 -3.239 1.00 0.89 H new ATOM 0 HA LEU A 39 -6.304 6.374 -0.799 1.00 0.67 H new ATOM 0 HB2 LEU A 39 -7.340 5.856 -2.943 1.00 0.52 H new ATOM 0 HB3 LEU A 39 -5.797 5.442 -3.663 1.00 0.52 H new ATOM 0 HG LEU A 39 -5.572 3.459 -2.263 1.00 0.55 H new ATOM 0 HD11 LEU A 39 -7.266 2.896 -0.543 1.00 1.11 H new ATOM 0 HD12 LEU A 39 -6.478 4.449 -0.176 1.00 1.11 H new ATOM 0 HD13 LEU A 39 -8.114 4.425 -0.876 1.00 1.11 H new ATOM 0 HD21 LEU A 39 -7.624 2.208 -2.916 1.00 0.33 H new ATOM 0 HD22 LEU A 39 -8.459 3.747 -3.234 1.00 0.33 H new ATOM 0 HD23 LEU A 39 -7.075 3.261 -4.241 1.00 0.33 H new ATOM 580 N THR A 40 -4.270 5.318 0.111 1.00 0.64 N ATOM 581 CA THR A 40 -3.080 4.596 0.652 1.00 0.58 C ATOM 582 C THR A 40 -3.313 3.082 0.603 1.00 0.42 C ATOM 583 O THR A 40 -4.301 2.619 0.070 1.00 0.33 O ATOM 584 CB THR A 40 -2.847 5.030 2.100 1.00 0.70 C ATOM 585 OG1 THR A 40 -3.988 4.556 2.810 1.00 0.54 O ATOM 586 CG2 THR A 40 -2.889 6.549 2.242 1.00 0.93 C ATOM 0 H THR A 40 -4.934 5.655 0.808 1.00 0.64 H new ATOM 0 HA THR A 40 -2.207 4.838 0.046 1.00 0.58 H new ATOM 0 HB THR A 40 -1.884 4.658 2.449 1.00 0.70 H new ATOM 0 HG1 THR A 40 -4.708 5.219 2.752 1.00 0.54 H new ATOM 0 HG21 THR A 40 -2.720 6.822 3.284 1.00 0.93 H new ATOM 0 HG22 THR A 40 -2.113 6.994 1.619 1.00 0.93 H new ATOM 0 HG23 THR A 40 -3.865 6.917 1.924 1.00 0.93 H new ATOM 594 N ARG A 41 -2.395 2.343 1.164 1.00 0.56 N ATOM 595 CA ARG A 41 -2.544 0.857 1.159 1.00 0.67 C ATOM 596 C ARG A 41 -3.165 0.383 2.477 1.00 0.82 C ATOM 597 O ARG A 41 -3.663 -0.721 2.570 1.00 0.94 O ATOM 598 CB ARG A 41 -1.168 0.218 0.986 1.00 0.91 C ATOM 599 CG ARG A 41 -1.337 -1.283 0.743 1.00 1.12 C ATOM 600 CD ARG A 41 0.030 -1.901 0.444 1.00 1.73 C ATOM 601 NE ARG A 41 0.088 -3.262 1.047 1.00 1.87 N ATOM 602 CZ ARG A 41 1.182 -3.966 0.937 1.00 2.50 C ATOM 603 NH1 ARG A 41 2.293 -3.487 1.428 1.00 2.16 N ATOM 604 NH2 ARG A 41 1.128 -5.125 0.340 1.00 3.68 N ATOM 0 H ARG A 41 -1.555 2.698 1.622 1.00 0.56 H new ATOM 0 HA ARG A 41 -3.197 0.564 0.337 1.00 0.67 H new ATOM 0 HB2 ARG A 41 -0.643 0.677 0.148 1.00 0.91 H new ATOM 0 HB3 ARG A 41 -0.560 0.388 1.875 1.00 0.91 H new ATOM 0 HG2 ARG A 41 -1.780 -1.758 1.618 1.00 1.12 H new ATOM 0 HG3 ARG A 41 -2.017 -1.454 -0.091 1.00 1.12 H new ATOM 0 HD2 ARG A 41 0.190 -1.959 -0.633 1.00 1.73 H new ATOM 0 HD3 ARG A 41 0.824 -1.275 0.851 1.00 1.73 H new ATOM 0 HE ARG A 41 -0.720 -3.641 1.541 1.00 1.87 H new ATOM 0 HH11 ARG A 41 2.297 -2.577 1.888 1.00 2.16 H new ATOM 0 HH12 ARG A 41 3.157 -4.023 1.351 1.00 2.16 H new ATOM 0 HH21 ARG A 41 0.242 -5.467 -0.031 1.00 3.68 H new ATOM 0 HH22 ARG A 41 1.972 -5.689 0.244 1.00 3.68 H new ATOM 618 N GLU A 42 -3.122 1.229 3.469 1.00 0.85 N ATOM 619 CA GLU A 42 -3.706 0.843 4.786 1.00 1.03 C ATOM 620 C GLU A 42 -5.226 1.033 4.769 1.00 0.86 C ATOM 621 O GLU A 42 -5.894 0.808 5.759 1.00 0.97 O ATOM 622 CB GLU A 42 -3.096 1.718 5.880 1.00 1.27 C ATOM 623 CG GLU A 42 -1.588 1.465 5.943 1.00 1.86 C ATOM 624 CD GLU A 42 -0.911 2.630 6.668 1.00 1.74 C ATOM 625 OE1 GLU A 42 -1.650 3.419 7.233 1.00 0.76 O ATOM 626 OE2 GLU A 42 0.307 2.664 6.616 1.00 2.95 O ATOM 0 H GLU A 42 -2.712 2.162 3.427 1.00 0.85 H new ATOM 0 HA GLU A 42 -3.485 -0.206 4.982 1.00 1.03 H new ATOM 0 HB2 GLU A 42 -3.292 2.770 5.673 1.00 1.27 H new ATOM 0 HB3 GLU A 42 -3.556 1.492 6.842 1.00 1.27 H new ATOM 0 HG2 GLU A 42 -1.386 0.530 6.465 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -1.182 1.363 4.937 1.00 1.86 H new ATOM 633 N ASP A 43 -5.739 1.447 3.642 1.00 0.60 N ATOM 634 CA ASP A 43 -7.214 1.659 3.544 1.00 0.44 C ATOM 635 C ASP A 43 -7.894 0.399 3.001 1.00 0.26 C ATOM 636 O ASP A 43 -9.044 0.136 3.292 1.00 0.15 O ATOM 637 CB ASP A 43 -7.489 2.832 2.605 1.00 0.46 C ATOM 638 CG ASP A 43 -7.391 4.142 3.389 1.00 0.40 C ATOM 639 OD1 ASP A 43 -6.265 4.538 3.642 1.00 1.67 O ATOM 640 OD2 ASP A 43 -8.447 4.673 3.691 1.00 1.00 O ATOM 0 H ASP A 43 -5.209 1.646 2.793 1.00 0.60 H new ATOM 0 HA ASP A 43 -7.613 1.875 4.535 1.00 0.44 H new ATOM 0 HB2 ASP A 43 -6.772 2.832 1.784 1.00 0.46 H new ATOM 0 HB3 ASP A 43 -8.480 2.733 2.162 1.00 0.46 H new ATOM 645 N VAL A 44 -7.167 -0.355 2.221 1.00 0.45 N ATOM 646 CA VAL A 44 -7.758 -1.602 1.650 1.00 0.39 C ATOM 647 C VAL A 44 -7.585 -2.767 2.630 1.00 0.47 C ATOM 648 O VAL A 44 -8.504 -3.526 2.863 1.00 0.69 O ATOM 649 CB VAL A 44 -7.054 -1.931 0.335 1.00 0.55 C ATOM 650 CG1 VAL A 44 -7.458 -3.337 -0.115 1.00 0.81 C ATOM 651 CG2 VAL A 44 -7.477 -0.919 -0.730 1.00 0.76 C ATOM 0 H VAL A 44 -6.200 -0.166 1.956 1.00 0.45 H new ATOM 0 HA VAL A 44 -8.822 -1.447 1.473 1.00 0.39 H new ATOM 0 HB VAL A 44 -5.974 -1.886 0.475 1.00 0.55 H new ATOM 0 HG11 VAL A 44 -6.958 -3.576 -1.053 1.00 0.81 H new ATOM 0 HG12 VAL A 44 -7.167 -4.061 0.646 1.00 0.81 H new ATOM 0 HG13 VAL A 44 -8.538 -3.377 -0.259 1.00 0.81 H new ATOM 0 HG21 VAL A 44 -6.977 -1.150 -1.670 1.00 0.76 H new ATOM 0 HG22 VAL A 44 -8.557 -0.969 -0.871 1.00 0.76 H new ATOM 0 HG23 VAL A 44 -7.200 0.085 -0.409 1.00 0.76 H new ATOM 661 N GLU A 45 -6.409 -2.881 3.184 1.00 0.71 N ATOM 662 CA GLU A 45 -6.160 -3.990 4.151 1.00 0.76 C ATOM 663 C GLU A 45 -7.327 -4.103 5.137 1.00 0.51 C ATOM 664 O GLU A 45 -7.649 -5.178 5.602 1.00 0.56 O ATOM 665 CB GLU A 45 -4.869 -3.704 4.918 1.00 0.95 C ATOM 666 CG GLU A 45 -4.178 -5.029 5.247 1.00 1.54 C ATOM 667 CD GLU A 45 -5.157 -5.938 5.994 1.00 2.87 C ATOM 668 OE1 GLU A 45 -5.184 -5.823 7.208 1.00 3.14 O ATOM 669 OE2 GLU A 45 -5.822 -6.696 5.307 1.00 4.02 O ATOM 0 H GLU A 45 -5.617 -2.262 3.012 1.00 0.71 H new ATOM 0 HA GLU A 45 -6.068 -4.929 3.606 1.00 0.76 H new ATOM 0 HB2 GLU A 45 -4.209 -3.074 4.322 1.00 0.95 H new ATOM 0 HB3 GLU A 45 -5.090 -3.157 5.835 1.00 0.95 H new ATOM 0 HG2 GLU A 45 -3.841 -5.514 4.331 1.00 1.54 H new ATOM 0 HG3 GLU A 45 -3.293 -4.849 5.857 1.00 1.54 H new ATOM 676 N LYS A 46 -7.935 -2.986 5.436 1.00 0.41 N ATOM 677 CA LYS A 46 -9.082 -3.007 6.390 1.00 0.26 C ATOM 678 C LYS A 46 -10.349 -3.505 5.680 1.00 0.34 C ATOM 679 O LYS A 46 -11.453 -3.221 6.103 1.00 0.72 O ATOM 680 CB LYS A 46 -9.311 -1.591 6.922 1.00 0.30 C ATOM 681 CG LYS A 46 -9.183 -1.602 8.449 1.00 0.33 C ATOM 682 CD LYS A 46 -9.322 -0.171 8.973 1.00 0.57 C ATOM 683 CE LYS A 46 -7.937 0.475 9.043 1.00 1.97 C ATOM 684 NZ LYS A 46 -7.252 0.105 10.315 1.00 2.36 N ATOM 0 H LYS A 46 -7.690 -2.068 5.065 1.00 0.41 H new ATOM 0 HA LYS A 46 -8.856 -3.681 7.216 1.00 0.26 H new ATOM 0 HB2 LYS A 46 -8.584 -0.904 6.489 1.00 0.30 H new ATOM 0 HB3 LYS A 46 -10.299 -1.235 6.630 1.00 0.30 H new ATOM 0 HG2 LYS A 46 -9.952 -2.239 8.886 1.00 0.33 H new ATOM 0 HG3 LYS A 46 -8.219 -2.018 8.743 1.00 0.33 H new ATOM 0 HD2 LYS A 46 -9.974 0.407 8.318 1.00 0.57 H new ATOM 0 HD3 LYS A 46 -9.785 -0.176 9.960 1.00 0.57 H new ATOM 0 HE2 LYS A 46 -7.336 0.154 8.192 1.00 1.97 H new ATOM 0 HE3 LYS A 46 -8.031 1.559 8.976 1.00 1.97 H new ATOM 0 HZ1 LYS A 46 -6.313 0.552 10.346 1.00 2.36 H new ATOM 0 HZ2 LYS A 46 -7.819 0.433 11.123 1.00 2.36 H new ATOM 0 HZ3 LYS A 46 -7.145 -0.928 10.364 1.00 2.36 H new ATOM 698 N HIS A 47 -10.155 -4.244 4.615 1.00 0.48 N ATOM 699 CA HIS A 47 -11.329 -4.779 3.856 1.00 0.51 C ATOM 700 C HIS A 47 -11.140 -6.275 3.580 1.00 0.64 C ATOM 701 O HIS A 47 -12.007 -6.921 3.025 1.00 0.70 O ATOM 702 CB HIS A 47 -11.449 -4.031 2.529 1.00 0.52 C ATOM 703 CG HIS A 47 -12.913 -4.021 2.085 1.00 0.52 C ATOM 704 ND1 HIS A 47 -13.817 -3.327 2.608 1.00 0.46 N ATOM 705 CD2 HIS A 47 -13.536 -4.728 1.073 1.00 0.79 C ATOM 706 CE1 HIS A 47 -14.936 -3.520 2.038 1.00 0.71 C ATOM 707 NE2 HIS A 47 -14.852 -4.401 1.044 1.00 0.89 N ATOM 0 H HIS A 47 -9.241 -4.499 4.240 1.00 0.48 H new ATOM 0 HA HIS A 47 -12.234 -4.638 4.447 1.00 0.51 H new ATOM 0 HB2 HIS A 47 -11.084 -3.010 2.639 1.00 0.52 H new ATOM 0 HB3 HIS A 47 -10.830 -4.511 1.771 1.00 0.52 H new ATOM 0 HD2 HIS A 47 -13.051 -5.430 0.410 1.00 0.79 H new ATOM 0 HE1 HIS A 47 -15.851 -3.025 2.327 1.00 0.71 H new ATOM 0 HE2 HIS A 47 -15.586 -4.741 0.423 1.00 0.89 H new ATOM 715 N LEU A 48 -10.009 -6.791 3.974 1.00 0.99 N ATOM 716 CA LEU A 48 -9.746 -8.242 3.744 1.00 1.14 C ATOM 717 C LEU A 48 -10.137 -9.052 4.984 1.00 1.24 C ATOM 718 O LEU A 48 -10.729 -8.532 5.907 1.00 1.81 O ATOM 719 CB LEU A 48 -8.259 -8.439 3.452 1.00 1.19 C ATOM 720 CG LEU A 48 -7.816 -7.428 2.392 1.00 1.05 C ATOM 721 CD1 LEU A 48 -6.341 -7.659 2.061 1.00 1.25 C ATOM 722 CD2 LEU A 48 -8.652 -7.627 1.126 1.00 1.39 C ATOM 0 H LEU A 48 -9.261 -6.278 4.441 1.00 0.99 H new ATOM 0 HA LEU A 48 -10.340 -8.587 2.897 1.00 1.14 H new ATOM 0 HB2 LEU A 48 -7.676 -8.307 4.364 1.00 1.19 H new ATOM 0 HB3 LEU A 48 -8.076 -9.455 3.102 1.00 1.19 H new ATOM 0 HG LEU A 48 -7.954 -6.415 2.770 1.00 1.05 H new ATOM 0 HD11 LEU A 48 -6.021 -6.941 1.306 1.00 1.25 H new ATOM 0 HD12 LEU A 48 -5.741 -7.530 2.962 1.00 1.25 H new ATOM 0 HD13 LEU A 48 -6.208 -8.671 1.679 1.00 1.25 H new ATOM 0 HD21 LEU A 48 -8.340 -6.909 0.368 1.00 1.39 H new ATOM 0 HD22 LEU A 48 -8.506 -8.639 0.749 1.00 1.39 H new ATOM 0 HD23 LEU A 48 -9.706 -7.475 1.358 1.00 1.39 H new ATOM 734 N ALA A 49 -9.794 -10.312 4.977 1.00 1.73 N ATOM 735 CA ALA A 49 -10.140 -11.170 6.148 1.00 1.78 C ATOM 736 C ALA A 49 -9.056 -12.232 6.365 1.00 2.48 C ATOM 737 O ALA A 49 -7.952 -12.106 5.875 1.00 2.98 O ATOM 738 CB ALA A 49 -11.480 -11.856 5.887 1.00 2.68 C ATOM 0 H ALA A 49 -9.295 -10.781 4.221 1.00 1.73 H new ATOM 0 HA ALA A 49 -10.208 -10.548 7.041 1.00 1.78 H new ATOM 0 HB1 ALA A 49 -11.739 -12.485 6.739 1.00 2.68 H new ATOM 0 HB2 ALA A 49 -12.253 -11.101 5.745 1.00 2.68 H new ATOM 0 HB3 ALA A 49 -11.405 -12.472 4.991 1.00 2.68 H new ATOM 744 N LYS A 50 -9.398 -13.258 7.095 1.00 2.96 N ATOM 745 CA LYS A 50 -8.402 -14.338 7.356 1.00 3.86 C ATOM 746 C LYS A 50 -8.466 -15.396 6.249 1.00 4.78 C ATOM 747 O LYS A 50 -9.470 -16.059 6.078 1.00 5.10 O ATOM 748 CB LYS A 50 -8.714 -14.990 8.702 1.00 4.07 C ATOM 749 CG LYS A 50 -10.186 -14.754 9.045 1.00 3.70 C ATOM 750 CD LYS A 50 -10.560 -15.602 10.262 1.00 4.76 C ATOM 751 CE LYS A 50 -11.555 -14.826 11.127 1.00 4.75 C ATOM 752 NZ LYS A 50 -12.768 -14.471 10.336 1.00 4.73 N ATOM 0 H LYS A 50 -10.315 -13.396 7.519 1.00 2.96 H new ATOM 0 HA LYS A 50 -7.401 -13.907 7.374 1.00 3.86 H new ATOM 0 HB2 LYS A 50 -8.505 -16.059 8.659 1.00 4.07 H new ATOM 0 HB3 LYS A 50 -8.075 -14.571 9.480 1.00 4.07 H new ATOM 0 HG2 LYS A 50 -10.358 -13.698 9.255 1.00 3.70 H new ATOM 0 HG3 LYS A 50 -10.817 -15.017 8.196 1.00 3.70 H new ATOM 0 HD2 LYS A 50 -10.998 -16.547 9.941 1.00 4.76 H new ATOM 0 HD3 LYS A 50 -9.668 -15.844 10.840 1.00 4.76 H new ATOM 0 HE2 LYS A 50 -11.840 -15.426 11.991 1.00 4.75 H new ATOM 0 HE3 LYS A 50 -11.085 -13.920 11.509 1.00 4.75 H new ATOM 0 HZ1 LYS A 50 -13.535 -14.194 10.982 1.00 4.73 H new ATOM 0 HZ2 LYS A 50 -12.548 -13.678 9.700 1.00 4.73 H new ATOM 0 HZ3 LYS A 50 -13.069 -15.293 9.774 1.00 4.73 H new ATOM 766 N ALA A 51 -7.392 -15.530 5.521 1.00 5.52 N ATOM 767 CA ALA A 51 -7.373 -16.539 4.422 1.00 6.76 C ATOM 768 C ALA A 51 -5.970 -17.140 4.279 1.00 7.97 C ATOM 769 O ALA A 51 -5.538 -17.240 3.143 1.00 9.04 O ATOM 770 CB ALA A 51 -7.773 -15.860 3.113 1.00 6.82 C ATOM 771 OXT ALA A 51 -5.412 -17.463 5.314 1.00 7.92 O ATOM 0 H ALA A 51 -6.534 -14.991 5.637 1.00 5.52 H new ATOM 0 HA ALA A 51 -8.076 -17.338 4.656 1.00 6.76 H new ATOM 0 HB1 ALA A 51 -7.761 -16.592 2.305 1.00 6.82 H new ATOM 0 HB2 ALA A 51 -8.776 -15.443 3.211 1.00 6.82 H new ATOM 0 HB3 ALA A 51 -7.068 -15.060 2.888 1.00 6.82 H new TER 777 ALA A 51