USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 630 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0171) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00599 USER MOD Single : A 20 THR OG1 : rot -14:sc= 1.2 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 46 SER OG : rot -34:sc= 0.0529 USER MOD Single : A 49 LYS NZ :NH3+ -162:sc= -0.0112 (180deg=-0.462) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 37:sc= 0.409 USER MOD Single : A 59 SER OG : rot 45:sc= 0.0957 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.216) USER MOD Single : A 66 ASN : amide:sc= 0.016 K(o=0.016,f=-1) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0.426 (180deg=0.425) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.941 3.092 -2.286 1.00 0.00 N ATOM 2 CA MET A 1 3.780 2.426 -1.643 1.00 0.00 C ATOM 3 C MET A 1 2.422 2.977 -2.185 1.00 0.00 C ATOM 4 O MET A 1 2.278 4.174 -2.472 1.00 0.00 O ATOM 5 CB MET A 1 3.939 2.559 -0.104 1.00 0.00 C ATOM 6 CG MET A 1 3.033 1.632 0.727 1.00 0.00 C ATOM 7 SD MET A 1 3.354 1.912 2.482 1.00 0.00 S ATOM 8 CE MET A 1 3.051 0.275 3.177 1.00 0.00 C ATOM 0 H1 MET A 1 5.822 2.653 -1.951 1.00 0.00 H new ATOM 0 H2 MET A 1 4.873 2.988 -3.319 1.00 0.00 H new ATOM 0 H3 MET A 1 4.942 4.102 -2.040 1.00 0.00 H new ATOM 0 HA MET A 1 3.762 1.366 -1.895 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.978 2.357 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.734 3.591 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.985 1.828 0.500 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.225 0.590 0.471 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.212 0.302 4.255 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.023 -0.023 2.971 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.734 -0.444 2.726 1.00 0.00 H new ATOM 18 N TYR A 2 1.415 2.088 -2.282 1.00 0.00 N ATOM 19 CA TYR A 2 0.063 2.423 -2.814 1.00 0.00 C ATOM 20 C TYR A 2 -0.753 3.372 -1.876 1.00 0.00 C ATOM 21 O TYR A 2 -0.935 3.090 -0.687 1.00 0.00 O ATOM 22 CB TYR A 2 -0.774 1.132 -3.066 1.00 0.00 C ATOM 23 CG TYR A 2 -0.170 0.050 -3.980 1.00 0.00 C ATOM 24 CD1 TYR A 2 -0.220 0.168 -5.373 1.00 0.00 C ATOM 25 CD2 TYR A 2 0.436 -1.074 -3.406 1.00 0.00 C ATOM 26 CE1 TYR A 2 0.338 -0.824 -6.181 1.00 0.00 C ATOM 27 CE2 TYR A 2 0.997 -2.058 -4.215 1.00 0.00 C ATOM 28 CZ TYR A 2 0.951 -1.932 -5.599 1.00 0.00 C ATOM 29 OH TYR A 2 1.517 -2.905 -6.378 1.00 0.00 O ATOM 0 H TYR A 2 1.508 1.113 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 2 0.242 2.949 -3.752 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.983 0.675 -2.099 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -1.732 1.432 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -0.691 1.029 -5.824 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.468 -1.178 -2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 2 0.295 -0.733 -7.256 1.00 0.00 H new ATOM 0 HE2 TYR A 2 1.469 -2.920 -3.767 1.00 0.00 H new ATOM 0 HH TYR A 2 1.899 -3.602 -5.805 1.00 0.00 H new ATOM 39 N LEU A 3 -1.268 4.476 -2.434 1.00 0.00 N ATOM 40 CA LEU A 3 -2.150 5.434 -1.716 1.00 0.00 C ATOM 41 C LEU A 3 -3.476 5.694 -2.508 1.00 0.00 C ATOM 42 O LEU A 3 -3.556 5.541 -3.732 1.00 0.00 O ATOM 43 CB LEU A 3 -1.314 6.695 -1.320 1.00 0.00 C ATOM 44 CG LEU A 3 -1.107 7.871 -2.317 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.207 8.942 -1.676 1.00 0.00 C ATOM 46 CD2 LEU A 3 -0.520 7.479 -3.681 1.00 0.00 C ATOM 0 H LEU A 3 -1.089 4.740 -3.403 1.00 0.00 H new ATOM 0 HA LEU A 3 -2.509 5.015 -0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.774 7.114 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.323 6.343 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.109 8.250 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.064 9.764 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.678 9.317 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.760 8.504 -1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.415 8.369 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.458 7.019 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.186 6.770 -4.173 1.00 0.00 H new ATOM 58 N THR A 4 -4.539 6.102 -1.798 1.00 0.00 N ATOM 59 CA THR A 4 -5.883 6.374 -2.405 1.00 0.00 C ATOM 60 C THR A 4 -5.872 7.608 -3.380 1.00 0.00 C ATOM 61 O THR A 4 -5.047 8.511 -3.227 1.00 0.00 O ATOM 62 CB THR A 4 -6.879 6.541 -1.206 1.00 0.00 C ATOM 63 OG1 THR A 4 -6.838 5.398 -0.355 1.00 0.00 O ATOM 64 CG2 THR A 4 -8.364 6.689 -1.575 1.00 0.00 C ATOM 0 H THR A 4 -4.508 6.257 -0.790 1.00 0.00 H new ATOM 0 HA THR A 4 -6.195 5.548 -3.045 1.00 0.00 H new ATOM 0 HB THR A 4 -6.535 7.465 -0.742 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.465 5.521 0.388 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.956 6.797 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.497 7.571 -2.202 1.00 0.00 H new ATOM 0 HG23 THR A 4 -8.694 5.804 -2.119 1.00 0.00 H new ATOM 72 N LEU A 5 -6.812 7.698 -4.347 1.00 0.00 N ATOM 73 CA LEU A 5 -6.997 8.911 -5.226 1.00 0.00 C ATOM 74 C LEU A 5 -6.986 10.303 -4.498 1.00 0.00 C ATOM 75 O LEU A 5 -6.266 11.220 -4.904 1.00 0.00 O ATOM 76 CB LEU A 5 -8.285 8.683 -6.081 1.00 0.00 C ATOM 77 CG LEU A 5 -8.511 9.573 -7.341 1.00 0.00 C ATOM 78 CD1 LEU A 5 -9.581 8.941 -8.252 1.00 0.00 C ATOM 79 CD2 LEU A 5 -8.943 11.021 -7.043 1.00 0.00 C ATOM 0 H LEU A 5 -7.469 6.945 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.114 8.992 -5.860 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.287 7.643 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.145 8.814 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.535 9.621 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.731 9.571 -9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -9.251 7.951 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.519 8.853 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.075 11.561 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.884 11.014 -6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.176 11.514 -6.445 1.00 0.00 H new ATOM 91 N GLN A 6 -7.741 10.423 -3.395 1.00 0.00 N ATOM 92 CA GLN A 6 -7.686 11.597 -2.478 1.00 0.00 C ATOM 93 C GLN A 6 -6.304 11.872 -1.787 1.00 0.00 C ATOM 94 O GLN A 6 -5.867 13.026 -1.752 1.00 0.00 O ATOM 95 CB GLN A 6 -8.860 11.410 -1.478 1.00 0.00 C ATOM 96 CG GLN A 6 -9.286 12.687 -0.710 1.00 0.00 C ATOM 97 CD GLN A 6 -10.596 12.554 0.085 1.00 0.00 C ATOM 98 OE1 GLN A 6 -11.369 11.608 -0.029 1.00 0.00 O ATOM 99 NE2 GLN A 6 -10.910 13.526 0.904 1.00 0.00 N ATOM 0 H GLN A 6 -8.412 9.712 -3.104 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.796 12.510 -3.063 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.723 11.029 -2.024 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.579 10.646 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -8.487 12.964 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -9.391 13.505 -1.423 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.282 14.322 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -11.782 13.487 1.431 1.00 0.00 H new ATOM 108 N GLU A 7 -5.601 10.831 -1.295 1.00 0.00 N ATOM 109 CA GLU A 7 -4.173 10.948 -0.868 1.00 0.00 C ATOM 110 C GLU A 7 -3.155 11.268 -2.020 1.00 0.00 C ATOM 111 O GLU A 7 -2.246 12.077 -1.811 1.00 0.00 O ATOM 112 CB GLU A 7 -3.735 9.679 -0.088 1.00 0.00 C ATOM 113 CG GLU A 7 -4.478 9.398 1.242 1.00 0.00 C ATOM 114 CD GLU A 7 -3.861 8.269 2.065 1.00 0.00 C ATOM 115 OE1 GLU A 7 -4.004 7.047 1.477 1.00 0.00 O ATOM 116 OE2 GLU A 7 -3.297 8.443 3.140 1.00 0.00 O ATOM 0 H GLU A 7 -5.991 9.895 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 7 -4.142 11.821 -0.216 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -3.864 8.815 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -2.669 9.760 0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -4.488 10.308 1.841 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.516 9.149 1.022 1.00 0.00 H new ATOM 123 N TRP A 8 -3.318 10.689 -3.231 1.00 0.00 N ATOM 124 CA TRP A 8 -2.601 11.131 -4.461 1.00 0.00 C ATOM 125 C TRP A 8 -2.788 12.651 -4.780 1.00 0.00 C ATOM 126 O TRP A 8 -1.786 13.356 -4.900 1.00 0.00 O ATOM 127 CB TRP A 8 -2.964 10.185 -5.642 1.00 0.00 C ATOM 128 CG TRP A 8 -2.175 10.461 -6.936 1.00 0.00 C ATOM 129 CD1 TRP A 8 -0.924 9.910 -7.282 1.00 0.00 C ATOM 130 CD2 TRP A 8 -2.477 11.360 -7.951 1.00 0.00 C ATOM 131 NE1 TRP A 8 -0.437 10.448 -8.490 1.00 0.00 N ATOM 132 CE2 TRP A 8 -1.407 11.354 -8.880 1.00 0.00 C ATOM 133 CE3 TRP A 8 -3.570 12.246 -8.126 1.00 0.00 C ATOM 134 CZ2 TRP A 8 -1.413 12.254 -9.979 1.00 0.00 C ATOM 135 CZ3 TRP A 8 -3.538 13.139 -9.194 1.00 0.00 C ATOM 136 CH2 TRP A 8 -2.481 13.142 -10.107 1.00 0.00 C ATOM 0 H TRP A 8 -3.948 9.903 -3.389 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.529 11.045 -4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.788 9.154 -5.335 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -4.030 10.277 -5.853 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.404 9.168 -6.694 1.00 0.00 H new ATOM 0 HE1 TRP A 8 0.434 10.221 -8.969 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.409 12.229 -7.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.608 12.251 -10.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.347 13.844 -9.319 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -2.491 13.845 -10.927 1.00 0.00 H new ATOM 147 N ASN A 9 -4.035 13.156 -4.874 1.00 0.00 N ATOM 148 CA ASN A 9 -4.309 14.612 -5.038 1.00 0.00 C ATOM 149 C ASN A 9 -3.721 15.514 -3.896 1.00 0.00 C ATOM 150 O ASN A 9 -3.052 16.500 -4.209 1.00 0.00 O ATOM 151 CB ASN A 9 -5.837 14.774 -5.273 1.00 0.00 C ATOM 152 CG ASN A 9 -6.276 16.134 -5.838 1.00 0.00 C ATOM 153 OD1 ASN A 9 -5.643 16.731 -6.702 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.393 16.659 -5.399 1.00 0.00 N ATOM 0 H ASN A 9 -4.876 12.580 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.771 14.989 -5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.167 13.992 -5.957 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -6.353 14.609 -4.327 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.721 17.548 -5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -7.935 16.178 -4.681 1.00 0.00 H new ATOM 161 N ALA A 10 -3.887 15.151 -2.606 1.00 0.00 N ATOM 162 CA ALA A 10 -3.172 15.803 -1.474 1.00 0.00 C ATOM 163 C ALA A 10 -1.607 15.886 -1.538 1.00 0.00 C ATOM 164 O ALA A 10 -1.058 16.940 -1.206 1.00 0.00 O ATOM 165 CB ALA A 10 -3.664 15.112 -0.189 1.00 0.00 C ATOM 0 H ALA A 10 -4.516 14.402 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.424 16.863 -1.517 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.168 15.555 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.742 15.243 -0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.430 14.048 -0.236 1.00 0.00 H new ATOM 171 N ARG A 11 -0.892 14.835 -1.993 1.00 0.00 N ATOM 172 CA ARG A 11 0.562 14.947 -2.339 1.00 0.00 C ATOM 173 C ARG A 11 0.947 15.728 -3.650 1.00 0.00 C ATOM 174 O ARG A 11 2.119 16.093 -3.794 1.00 0.00 O ATOM 175 CB ARG A 11 1.258 13.556 -2.275 1.00 0.00 C ATOM 176 CG ARG A 11 0.911 12.551 -3.408 1.00 0.00 C ATOM 177 CD ARG A 11 1.936 11.434 -3.680 1.00 0.00 C ATOM 178 NE ARG A 11 3.155 11.999 -4.333 1.00 0.00 N ATOM 179 CZ ARG A 11 3.809 11.487 -5.376 1.00 0.00 C ATOM 180 NH1 ARG A 11 3.419 10.428 -6.040 1.00 0.00 N ATOM 181 NH2 ARG A 11 4.901 12.081 -5.763 1.00 0.00 N ATOM 0 H ARG A 11 -1.283 13.903 -2.132 1.00 0.00 H new ATOM 0 HA ARG A 11 0.949 15.603 -1.559 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.336 13.714 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.007 13.093 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.045 12.085 -3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.769 13.114 -4.330 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.209 10.946 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.492 10.671 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 11 3.525 12.865 -3.941 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.565 9.941 -5.767 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.969 10.090 -6.830 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.231 12.912 -5.272 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.426 11.716 -6.558 1.00 0.00 H new ATOM 195 N GLN A 12 0.022 15.977 -4.602 1.00 0.00 N ATOM 196 CA GLN A 12 0.285 16.859 -5.774 1.00 0.00 C ATOM 197 C GLN A 12 0.405 18.371 -5.388 1.00 0.00 C ATOM 198 O GLN A 12 -0.121 18.840 -4.371 1.00 0.00 O ATOM 199 CB GLN A 12 -0.808 16.655 -6.868 1.00 0.00 C ATOM 200 CG GLN A 12 -0.874 15.286 -7.593 1.00 0.00 C ATOM 201 CD GLN A 12 0.404 14.809 -8.292 1.00 0.00 C ATOM 202 OE1 GLN A 12 0.735 15.213 -9.400 1.00 0.00 O ATOM 203 NE2 GLN A 12 1.149 13.920 -7.679 1.00 0.00 N ATOM 0 H GLN A 12 -0.918 15.581 -4.587 1.00 0.00 H new ATOM 0 HA GLN A 12 1.254 16.564 -6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.779 16.834 -6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.669 17.426 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.164 14.530 -6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.670 15.334 -8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.880 13.579 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.997 13.570 -8.125 1.00 0.00 H new ATOM 212 N ARG A 13 1.115 19.146 -6.228 1.00 0.00 N ATOM 213 CA ARG A 13 1.381 20.585 -5.966 1.00 0.00 C ATOM 214 C ARG A 13 0.114 21.475 -6.204 1.00 0.00 C ATOM 215 O ARG A 13 -0.185 21.874 -7.333 1.00 0.00 O ATOM 216 CB ARG A 13 2.631 20.965 -6.802 1.00 0.00 C ATOM 217 CG ARG A 13 3.210 22.378 -6.515 1.00 0.00 C ATOM 218 CD ARG A 13 4.732 22.495 -6.742 1.00 0.00 C ATOM 219 NE ARG A 13 5.460 21.830 -5.622 1.00 0.00 N ATOM 220 CZ ARG A 13 6.768 21.581 -5.583 1.00 0.00 C ATOM 221 NH1 ARG A 13 7.599 21.909 -6.540 1.00 0.00 N ATOM 222 NH2 ARG A 13 7.247 20.978 -4.532 1.00 0.00 N ATOM 0 H ARG A 13 1.519 18.804 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 13 1.601 20.773 -4.915 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.410 20.226 -6.618 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.375 20.902 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.702 23.103 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.986 22.648 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.005 22.033 -7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.021 23.544 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 13 4.907 21.541 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.254 22.383 -7.375 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.591 21.691 -6.451 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.625 20.711 -3.769 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.244 20.773 -4.472 1.00 0.00 H new ATOM 236 N ARG A 14 -0.613 21.744 -5.100 1.00 0.00 N ATOM 237 CA ARG A 14 -1.963 22.377 -5.093 1.00 0.00 C ATOM 238 C ARG A 14 -3.105 21.351 -5.451 1.00 0.00 C ATOM 239 O ARG A 14 -3.384 21.194 -6.647 1.00 0.00 O ATOM 240 CB ARG A 14 -2.045 23.738 -5.844 1.00 0.00 C ATOM 241 CG ARG A 14 -3.359 24.525 -5.619 1.00 0.00 C ATOM 242 CD ARG A 14 -3.362 25.857 -6.381 1.00 0.00 C ATOM 243 NE ARG A 14 -4.720 26.464 -6.320 1.00 0.00 N ATOM 244 CZ ARG A 14 -5.136 27.503 -7.044 1.00 0.00 C ATOM 245 NH1 ARG A 14 -4.360 28.177 -7.858 1.00 0.00 N ATOM 246 NH2 ARG A 14 -6.380 27.871 -6.938 1.00 0.00 N ATOM 0 H ARG A 14 -0.276 21.525 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.149 22.668 -4.059 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.207 24.361 -5.531 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.925 23.556 -6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.206 23.919 -5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.491 24.715 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -2.629 26.537 -5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.072 25.694 -7.419 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.388 26.050 -5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.380 27.914 -7.963 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.736 28.964 -8.386 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.009 27.368 -6.313 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.726 28.663 -7.480 1.00 0.00 H new ATOM 260 N PRO A 15 -3.828 20.689 -4.492 1.00 0.00 N ATOM 261 CA PRO A 15 -4.980 19.804 -4.821 1.00 0.00 C ATOM 262 C PRO A 15 -6.225 20.586 -5.345 1.00 0.00 C ATOM 263 O PRO A 15 -6.838 21.380 -4.625 1.00 0.00 O ATOM 264 CB PRO A 15 -5.242 19.074 -3.489 1.00 0.00 C ATOM 265 CG PRO A 15 -4.687 19.987 -2.397 1.00 0.00 C ATOM 266 CD PRO A 15 -3.498 20.690 -3.051 1.00 0.00 C ATOM 0 HA PRO A 15 -4.767 19.122 -5.644 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -6.307 18.895 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.750 18.101 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -5.436 20.704 -2.061 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.378 19.416 -1.522 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.376 21.704 -2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.565 20.161 -2.855 1.00 0.00 H new ATOM 274 N ARG A 16 -6.578 20.361 -6.619 1.00 0.00 N ATOM 275 CA ARG A 16 -7.698 21.087 -7.285 1.00 0.00 C ATOM 276 C ARG A 16 -9.072 20.415 -6.974 1.00 0.00 C ATOM 277 O ARG A 16 -9.815 20.940 -6.141 1.00 0.00 O ATOM 278 CB ARG A 16 -7.323 21.286 -8.786 1.00 0.00 C ATOM 279 CG ARG A 16 -6.251 22.388 -9.019 1.00 0.00 C ATOM 280 CD ARG A 16 -5.332 22.125 -10.224 1.00 0.00 C ATOM 281 NE ARG A 16 -4.356 23.245 -10.336 1.00 0.00 N ATOM 282 CZ ARG A 16 -3.347 23.308 -11.204 1.00 0.00 C ATOM 283 NH1 ARG A 16 -3.097 22.383 -12.097 1.00 0.00 N ATOM 284 NH2 ARG A 16 -2.566 24.349 -11.168 1.00 0.00 N ATOM 0 H ARG A 16 -6.110 19.683 -7.220 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.839 22.090 -6.883 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.955 20.342 -9.188 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.223 21.542 -9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.754 23.345 -9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.639 22.480 -8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.807 21.178 -10.099 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.921 22.045 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.470 24.030 -9.694 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.691 21.556 -12.155 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.308 22.490 -12.735 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.734 25.090 -10.487 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.786 24.424 -11.821 1.00 0.00 H new ATOM 298 N SER A 17 -9.404 19.261 -7.583 1.00 0.00 N ATOM 299 CA SER A 17 -10.579 18.437 -7.173 1.00 0.00 C ATOM 300 C SER A 17 -10.462 16.980 -7.718 1.00 0.00 C ATOM 301 O SER A 17 -9.929 16.737 -8.808 1.00 0.00 O ATOM 302 CB SER A 17 -11.914 19.097 -7.615 1.00 0.00 C ATOM 303 OG SER A 17 -13.033 18.382 -7.085 1.00 0.00 O ATOM 0 H SER A 17 -8.879 18.869 -8.365 1.00 0.00 H new ATOM 0 HA SER A 17 -10.582 18.386 -6.084 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.944 20.132 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.972 19.118 -8.703 1.00 0.00 H new ATOM 0 HG SER A 17 -13.864 18.814 -7.373 1.00 0.00 H new ATOM 309 N LEU A 18 -11.049 16.014 -6.987 1.00 0.00 N ATOM 310 CA LEU A 18 -11.199 14.599 -7.446 1.00 0.00 C ATOM 311 C LEU A 18 -11.905 14.408 -8.841 1.00 0.00 C ATOM 312 O LEU A 18 -11.448 13.596 -9.648 1.00 0.00 O ATOM 313 CB LEU A 18 -11.915 13.757 -6.346 1.00 0.00 C ATOM 314 CG LEU A 18 -11.195 13.541 -4.981 1.00 0.00 C ATOM 315 CD1 LEU A 18 -11.371 14.712 -3.994 1.00 0.00 C ATOM 316 CD2 LEU A 18 -11.733 12.270 -4.295 1.00 0.00 C ATOM 0 H LEU A 18 -11.437 16.182 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.182 14.240 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.876 14.229 -6.142 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.126 12.774 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.135 13.457 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.842 14.489 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.965 15.623 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.431 14.853 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.224 12.128 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.804 12.376 -4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.552 11.407 -4.935 1.00 0.00 H new ATOM 328 N GLU A 19 -12.961 15.190 -9.148 1.00 0.00 N ATOM 329 CA GLU A 19 -13.515 15.329 -10.529 1.00 0.00 C ATOM 330 C GLU A 19 -12.529 15.813 -11.657 1.00 0.00 C ATOM 331 O GLU A 19 -12.590 15.289 -12.773 1.00 0.00 O ATOM 332 CB GLU A 19 -14.826 16.163 -10.441 1.00 0.00 C ATOM 333 CG GLU A 19 -14.672 17.681 -10.153 1.00 0.00 C ATOM 334 CD GLU A 19 -15.955 18.365 -9.690 1.00 0.00 C ATOM 335 OE1 GLU A 19 -16.854 18.715 -10.446 1.00 0.00 O ATOM 336 OE2 GLU A 19 -15.987 18.544 -8.339 1.00 0.00 O ATOM 0 H GLU A 19 -13.459 15.746 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.723 14.320 -10.884 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.365 16.049 -11.381 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.452 15.731 -9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.905 17.818 -9.391 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.316 18.176 -11.056 1.00 0.00 H new ATOM 343 N THR A 20 -11.604 16.753 -11.364 1.00 0.00 N ATOM 344 CA THR A 20 -10.455 17.089 -12.271 1.00 0.00 C ATOM 345 C THR A 20 -9.469 15.903 -12.530 1.00 0.00 C ATOM 346 O THR A 20 -9.197 15.574 -13.686 1.00 0.00 O ATOM 347 CB THR A 20 -9.682 18.381 -11.847 1.00 0.00 C ATOM 348 OG1 THR A 20 -8.975 18.236 -10.616 1.00 0.00 O ATOM 349 CG2 THR A 20 -10.528 19.659 -11.745 1.00 0.00 C ATOM 0 H THR A 20 -11.621 17.302 -10.505 1.00 0.00 H new ATOM 0 HA THR A 20 -10.939 17.299 -13.225 1.00 0.00 H new ATOM 0 HB THR A 20 -8.988 18.502 -12.678 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.282 17.427 -10.156 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.893 20.493 -11.445 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.978 19.876 -12.714 1.00 0.00 H new ATOM 0 HG23 THR A 20 -11.315 19.517 -11.004 1.00 0.00 H new ATOM 357 N VAL A 21 -9.007 15.217 -11.469 1.00 0.00 N ATOM 358 CA VAL A 21 -8.240 13.934 -11.568 1.00 0.00 C ATOM 359 C VAL A 21 -8.991 12.799 -12.357 1.00 0.00 C ATOM 360 O VAL A 21 -8.388 12.172 -13.230 1.00 0.00 O ATOM 361 CB VAL A 21 -7.753 13.481 -10.143 1.00 0.00 C ATOM 362 CG1 VAL A 21 -6.843 12.228 -10.185 1.00 0.00 C ATOM 363 CG2 VAL A 21 -6.992 14.573 -9.348 1.00 0.00 C ATOM 0 H VAL A 21 -9.149 15.528 -10.508 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.359 14.132 -12.178 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.689 13.257 -9.631 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.540 11.965 -9.172 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.390 11.396 -10.628 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.958 12.441 -10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.693 14.175 -8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.105 14.877 -9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.642 15.436 -9.202 1.00 0.00 H new ATOM 373 N ARG A 22 -10.296 12.571 -12.111 1.00 0.00 N ATOM 374 CA ARG A 22 -11.161 11.698 -12.961 1.00 0.00 C ATOM 375 C ARG A 22 -11.232 12.107 -14.480 1.00 0.00 C ATOM 376 O ARG A 22 -11.086 11.239 -15.345 1.00 0.00 O ATOM 377 CB ARG A 22 -12.549 11.637 -12.255 1.00 0.00 C ATOM 378 CG ARG A 22 -13.513 10.482 -12.624 1.00 0.00 C ATOM 379 CD ARG A 22 -14.057 10.482 -14.072 1.00 0.00 C ATOM 380 NE ARG A 22 -15.507 10.140 -14.144 1.00 0.00 N ATOM 381 CZ ARG A 22 -16.511 11.021 -14.082 1.00 0.00 C ATOM 382 NH1 ARG A 22 -16.335 12.308 -13.905 1.00 0.00 N ATOM 383 NH2 ARG A 22 -17.730 10.582 -14.197 1.00 0.00 N ATOM 0 H ARG A 22 -10.790 12.983 -11.319 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.720 10.704 -13.032 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.373 11.592 -11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.065 12.576 -12.455 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.997 9.537 -12.452 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.361 10.512 -11.940 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.898 11.465 -14.515 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.490 9.768 -14.669 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.752 9.156 -14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.392 12.685 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.141 12.932 -13.866 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.903 9.586 -14.331 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.513 11.234 -14.153 1.00 0.00 H new ATOM 397 N ARG A 23 -11.425 13.401 -14.812 1.00 0.00 N ATOM 398 CA ARG A 23 -11.172 13.947 -16.184 1.00 0.00 C ATOM 399 C ARG A 23 -9.746 13.707 -16.794 1.00 0.00 C ATOM 400 O ARG A 23 -9.642 13.421 -17.992 1.00 0.00 O ATOM 401 CB ARG A 23 -11.536 15.466 -16.193 1.00 0.00 C ATOM 402 CG ARG A 23 -12.986 15.829 -16.595 1.00 0.00 C ATOM 403 CD ARG A 23 -13.223 15.770 -18.118 1.00 0.00 C ATOM 404 NE ARG A 23 -14.558 16.339 -18.453 1.00 0.00 N ATOM 405 CZ ARG A 23 -14.968 16.674 -19.679 1.00 0.00 C ATOM 406 NH1 ARG A 23 -14.255 16.480 -20.762 1.00 0.00 N ATOM 407 NH2 ARG A 23 -16.140 17.226 -19.810 1.00 0.00 N ATOM 0 H ARG A 23 -11.758 14.101 -14.149 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.816 13.369 -16.847 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -11.348 15.867 -15.197 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.856 15.975 -16.875 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.676 15.147 -16.099 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.216 16.832 -16.236 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -12.442 16.326 -18.637 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.162 14.738 -18.463 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.212 16.485 -17.684 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.332 16.051 -20.695 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -14.623 16.758 -21.672 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.720 17.393 -18.988 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.478 17.492 -20.735 1.00 0.00 H new ATOM 421 N TRP A 24 -8.674 13.815 -15.992 1.00 0.00 N ATOM 422 CA TRP A 24 -7.292 13.408 -16.388 1.00 0.00 C ATOM 423 C TRP A 24 -7.111 11.862 -16.625 1.00 0.00 C ATOM 424 O TRP A 24 -6.463 11.476 -17.599 1.00 0.00 O ATOM 425 CB TRP A 24 -6.273 13.980 -15.358 1.00 0.00 C ATOM 426 CG TRP A 24 -6.231 15.506 -15.097 1.00 0.00 C ATOM 427 CD1 TRP A 24 -6.869 16.544 -15.826 1.00 0.00 C ATOM 428 CD2 TRP A 24 -5.644 16.140 -14.014 1.00 0.00 C ATOM 429 NE1 TRP A 24 -6.718 17.798 -15.204 1.00 0.00 N ATOM 430 CE2 TRP A 24 -5.962 17.521 -14.079 1.00 0.00 C ATOM 431 CE3 TRP A 24 -4.866 15.635 -12.941 1.00 0.00 C ATOM 432 CZ2 TRP A 24 -5.525 18.400 -13.061 1.00 0.00 C ATOM 433 CZ3 TRP A 24 -4.435 16.522 -11.954 1.00 0.00 C ATOM 434 CH2 TRP A 24 -4.763 17.883 -12.010 1.00 0.00 C ATOM 0 H TRP A 24 -8.729 14.187 -15.044 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.095 13.841 -17.369 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.463 13.490 -14.403 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.277 13.676 -15.680 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -7.407 16.390 -16.750 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -7.081 18.700 -15.511 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.613 14.586 -12.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -5.775 19.450 -13.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -3.838 16.153 -11.133 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.421 18.544 -11.227 1.00 0.00 H new ATOM 445 N VAL A 25 -7.720 10.981 -15.801 1.00 0.00 N ATOM 446 CA VAL A 25 -7.835 9.510 -16.088 1.00 0.00 C ATOM 447 C VAL A 25 -8.651 9.205 -17.399 1.00 0.00 C ATOM 448 O VAL A 25 -8.141 8.504 -18.278 1.00 0.00 O ATOM 449 CB VAL A 25 -8.367 8.738 -14.823 1.00 0.00 C ATOM 450 CG1 VAL A 25 -8.539 7.214 -15.045 1.00 0.00 C ATOM 451 CG2 VAL A 25 -7.475 8.868 -13.565 1.00 0.00 C ATOM 0 H VAL A 25 -8.149 11.256 -14.917 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.834 9.132 -16.295 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.328 9.227 -14.663 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.909 6.752 -14.129 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.252 7.042 -15.851 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.578 6.774 -15.311 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.919 8.305 -12.744 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.482 8.473 -13.781 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.395 9.918 -13.283 1.00 0.00 H new ATOM 461 N ARG A 26 -9.879 9.745 -17.550 1.00 0.00 N ATOM 462 CA ARG A 26 -10.654 9.687 -18.830 1.00 0.00 C ATOM 463 C ARG A 26 -9.944 10.210 -20.127 1.00 0.00 C ATOM 464 O ARG A 26 -10.104 9.599 -21.184 1.00 0.00 O ATOM 465 CB ARG A 26 -12.036 10.378 -18.609 1.00 0.00 C ATOM 466 CG ARG A 26 -13.163 9.441 -18.086 1.00 0.00 C ATOM 467 CD ARG A 26 -14.379 9.372 -19.034 1.00 0.00 C ATOM 468 NE ARG A 26 -15.223 8.177 -18.747 1.00 0.00 N ATOM 469 CZ ARG A 26 -16.307 7.826 -19.441 1.00 0.00 C ATOM 470 NH1 ARG A 26 -16.893 8.607 -20.315 1.00 0.00 N ATOM 471 NH2 ARG A 26 -16.812 6.643 -19.242 1.00 0.00 N ATOM 0 H ARG A 26 -10.368 10.233 -16.799 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.765 8.625 -19.051 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.907 11.197 -17.901 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -12.359 10.820 -19.552 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.759 8.438 -17.949 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.492 9.789 -17.107 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.978 10.277 -18.927 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.035 9.337 -20.068 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.952 7.584 -17.962 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.522 9.540 -20.495 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.720 8.282 -20.815 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.379 6.010 -18.569 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -17.641 6.349 -19.759 1.00 0.00 H new ATOM 485 N GLU A 27 -9.152 11.293 -20.056 1.00 0.00 N ATOM 486 CA GLU A 27 -8.284 11.744 -21.191 1.00 0.00 C ATOM 487 C GLU A 27 -6.847 11.093 -21.248 1.00 0.00 C ATOM 488 O GLU A 27 -5.904 11.718 -21.749 1.00 0.00 O ATOM 489 CB GLU A 27 -8.255 13.299 -21.095 1.00 0.00 C ATOM 490 CG GLU A 27 -9.591 14.001 -21.460 1.00 0.00 C ATOM 491 CD GLU A 27 -9.717 15.429 -20.944 1.00 0.00 C ATOM 492 OE1 GLU A 27 -9.906 15.472 -19.590 1.00 0.00 O ATOM 493 OE2 GLU A 27 -9.680 16.416 -21.672 1.00 0.00 O ATOM 0 H GLU A 27 -9.085 11.884 -19.227 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.706 11.401 -22.136 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.979 13.581 -20.079 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.472 13.675 -21.754 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.698 14.010 -22.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.417 13.411 -21.063 1.00 0.00 H new ATOM 500 N SER A 28 -6.691 9.836 -20.772 1.00 0.00 N ATOM 501 CA SER A 28 -5.408 9.066 -20.727 1.00 0.00 C ATOM 502 C SER A 28 -4.112 9.841 -20.305 1.00 0.00 C ATOM 503 O SER A 28 -3.106 9.864 -21.019 1.00 0.00 O ATOM 504 CB SER A 28 -5.271 8.214 -22.015 1.00 0.00 C ATOM 505 OG SER A 28 -6.331 7.262 -22.150 1.00 0.00 O ATOM 0 H SER A 28 -7.475 9.305 -20.394 1.00 0.00 H new ATOM 0 HA SER A 28 -5.492 8.400 -19.868 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.263 8.872 -22.884 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.315 7.691 -22.002 1.00 0.00 H new ATOM 0 HG SER A 28 -6.206 6.748 -22.975 1.00 0.00 H new ATOM 511 N ARG A 29 -4.168 10.483 -19.127 1.00 0.00 N ATOM 512 CA ARG A 29 -3.076 11.359 -18.617 1.00 0.00 C ATOM 513 C ARG A 29 -2.330 10.776 -17.377 1.00 0.00 C ATOM 514 O ARG A 29 -1.111 10.893 -17.316 1.00 0.00 O ATOM 515 CB ARG A 29 -3.661 12.778 -18.346 1.00 0.00 C ATOM 516 CG ARG A 29 -2.743 13.970 -18.737 1.00 0.00 C ATOM 517 CD ARG A 29 -3.348 15.011 -19.703 1.00 0.00 C ATOM 518 NE ARG A 29 -3.779 14.380 -20.984 1.00 0.00 N ATOM 519 CZ ARG A 29 -4.456 14.992 -21.952 1.00 0.00 C ATOM 520 NH1 ARG A 29 -4.616 16.290 -22.014 1.00 0.00 N ATOM 521 NH2 ARG A 29 -4.991 14.260 -22.883 1.00 0.00 N ATOM 0 H ARG A 29 -4.966 10.416 -18.495 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.304 11.422 -19.384 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.601 12.873 -18.889 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.897 12.857 -17.285 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.443 14.484 -17.824 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.836 13.569 -19.190 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.202 15.496 -19.229 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.613 15.789 -19.908 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.535 13.400 -21.130 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.211 16.889 -21.295 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.146 16.702 -22.782 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.886 13.246 -22.858 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.516 14.700 -23.639 1.00 0.00 H new ATOM 535 N ILE A 30 -3.002 10.162 -16.383 1.00 0.00 N ATOM 536 CA ILE A 30 -2.314 9.523 -15.217 1.00 0.00 C ATOM 537 C ILE A 30 -1.577 8.217 -15.683 1.00 0.00 C ATOM 538 O ILE A 30 -2.222 7.277 -16.162 1.00 0.00 O ATOM 539 CB ILE A 30 -3.340 9.198 -14.068 1.00 0.00 C ATOM 540 CG1 ILE A 30 -4.244 10.373 -13.588 1.00 0.00 C ATOM 541 CG2 ILE A 30 -2.690 8.509 -12.836 1.00 0.00 C ATOM 542 CD1 ILE A 30 -3.518 11.608 -13.047 1.00 0.00 C ATOM 0 H ILE A 30 -4.019 10.089 -16.354 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.579 10.223 -14.821 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.005 8.496 -14.571 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.873 10.684 -14.422 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.909 9.998 -12.810 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.454 8.314 -12.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.235 7.568 -13.144 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.925 9.162 -12.416 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.250 12.357 -12.744 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.911 11.326 -12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.875 12.022 -13.824 1.00 0.00 H new ATOM 554 N PHE A 31 -0.245 8.151 -15.509 1.00 0.00 N ATOM 555 CA PHE A 31 0.559 6.969 -15.921 1.00 0.00 C ATOM 556 C PHE A 31 1.651 6.583 -14.850 1.00 0.00 C ATOM 557 O PHE A 31 2.412 7.472 -14.443 1.00 0.00 O ATOM 558 CB PHE A 31 1.155 7.254 -17.327 1.00 0.00 C ATOM 559 CG PHE A 31 1.799 6.034 -18.003 1.00 0.00 C ATOM 560 CD1 PHE A 31 1.006 5.093 -18.668 1.00 0.00 C ATOM 561 CD2 PHE A 31 3.176 5.816 -17.890 1.00 0.00 C ATOM 562 CE1 PHE A 31 1.581 3.939 -19.197 1.00 0.00 C ATOM 563 CE2 PHE A 31 3.749 4.662 -18.419 1.00 0.00 C ATOM 564 CZ PHE A 31 2.952 3.724 -19.070 1.00 0.00 C ATOM 0 H PHE A 31 0.305 8.899 -15.086 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.083 6.090 -15.982 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.364 7.636 -17.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.903 8.042 -17.238 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.056 5.261 -18.772 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.797 6.545 -17.391 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.965 3.212 -19.705 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.812 4.495 -18.324 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.397 2.828 -19.477 1.00 0.00 H new ATOM 574 N PRO A 32 1.814 5.293 -14.408 1.00 0.00 N ATOM 575 CA PRO A 32 0.935 4.148 -14.792 1.00 0.00 C ATOM 576 C PRO A 32 -0.514 4.164 -14.165 1.00 0.00 C ATOM 577 O PRO A 32 -0.709 4.802 -13.122 1.00 0.00 O ATOM 578 CB PRO A 32 1.782 2.930 -14.373 1.00 0.00 C ATOM 579 CG PRO A 32 2.672 3.427 -13.235 1.00 0.00 C ATOM 580 CD PRO A 32 2.990 4.870 -13.619 1.00 0.00 C ATOM 0 HA PRO A 32 0.683 4.163 -15.852 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.149 2.105 -14.045 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.380 2.561 -15.207 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.159 3.373 -12.275 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.579 2.828 -13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.127 5.497 -12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.908 4.935 -14.203 1.00 0.00 H new ATOM 588 N PRO A 33 -1.557 3.512 -14.764 1.00 0.00 N ATOM 589 CA PRO A 33 -2.953 3.589 -14.247 1.00 0.00 C ATOM 590 C PRO A 33 -3.224 2.868 -12.870 1.00 0.00 C ATOM 591 O PRO A 33 -2.546 1.877 -12.568 1.00 0.00 O ATOM 592 CB PRO A 33 -3.759 2.988 -15.418 1.00 0.00 C ATOM 593 CG PRO A 33 -2.794 2.031 -16.120 1.00 0.00 C ATOM 594 CD PRO A 33 -1.439 2.729 -16.012 1.00 0.00 C ATOM 0 HA PRO A 33 -3.229 4.610 -13.982 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -4.643 2.462 -15.058 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.106 3.766 -16.098 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.779 1.054 -15.638 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.078 1.869 -17.160 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.620 2.011 -15.961 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.247 3.370 -16.872 1.00 0.00 H new ATOM 602 N PRO A 34 -4.194 3.308 -12.012 1.00 0.00 N ATOM 603 CA PRO A 34 -4.402 2.709 -10.664 1.00 0.00 C ATOM 604 C PRO A 34 -5.140 1.331 -10.627 1.00 0.00 C ATOM 605 O PRO A 34 -5.944 0.997 -11.504 1.00 0.00 O ATOM 606 CB PRO A 34 -5.208 3.825 -9.975 1.00 0.00 C ATOM 607 CG PRO A 34 -6.023 4.476 -11.095 1.00 0.00 C ATOM 608 CD PRO A 34 -5.054 4.481 -12.273 1.00 0.00 C ATOM 0 HA PRO A 34 -3.460 2.439 -10.187 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.857 3.421 -9.198 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.549 4.549 -9.495 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.926 3.908 -11.319 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.339 5.485 -10.829 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.578 4.392 -13.225 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.475 5.403 -12.313 1.00 0.00 H new ATOM 616 N VAL A 35 -4.896 0.553 -9.557 1.00 0.00 N ATOM 617 CA VAL A 35 -5.568 -0.769 -9.350 1.00 0.00 C ATOM 618 C VAL A 35 -6.951 -0.532 -8.646 1.00 0.00 C ATOM 619 O VAL A 35 -7.017 -0.099 -7.492 1.00 0.00 O ATOM 620 CB VAL A 35 -4.629 -1.782 -8.600 1.00 0.00 C ATOM 621 CG1 VAL A 35 -5.294 -3.152 -8.320 1.00 0.00 C ATOM 622 CG2 VAL A 35 -3.303 -2.076 -9.344 1.00 0.00 C ATOM 0 H VAL A 35 -4.242 0.805 -8.816 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.770 -1.244 -10.310 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.423 -1.263 -7.664 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.588 -3.800 -7.800 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.178 -3.007 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.585 -3.615 -9.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.709 -2.783 -8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.522 -2.503 -10.323 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.743 -1.149 -9.469 1.00 0.00 H new ATOM 632 N LYS A 36 -8.055 -0.830 -9.353 1.00 0.00 N ATOM 633 CA LYS A 36 -9.436 -0.686 -8.814 1.00 0.00 C ATOM 634 C LYS A 36 -9.830 -1.869 -7.862 1.00 0.00 C ATOM 635 O LYS A 36 -9.850 -3.033 -8.277 1.00 0.00 O ATOM 636 CB LYS A 36 -10.379 -0.583 -10.046 1.00 0.00 C ATOM 637 CG LYS A 36 -11.847 -0.220 -9.721 1.00 0.00 C ATOM 638 CD LYS A 36 -12.775 -0.422 -10.935 1.00 0.00 C ATOM 639 CE LYS A 36 -14.251 -0.176 -10.589 1.00 0.00 C ATOM 640 NZ LYS A 36 -15.099 -0.533 -11.744 1.00 0.00 N ATOM 0 H LYS A 36 -8.025 -1.177 -10.312 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.515 0.206 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.978 0.166 -10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.365 -1.536 -10.575 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.197 -0.834 -8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.900 0.818 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.474 0.254 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.658 -1.437 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.535 -0.770 -9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.403 0.870 -10.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.098 -0.365 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -14.835 0.052 -12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -14.963 -1.537 -11.978 1.00 0.00 H new ATOM 653 N ASP A 37 -10.181 -1.561 -6.601 1.00 0.00 N ATOM 654 CA ASP A 37 -10.585 -2.576 -5.589 1.00 0.00 C ATOM 655 C ASP A 37 -11.954 -2.210 -4.939 1.00 0.00 C ATOM 656 O ASP A 37 -12.000 -1.391 -4.018 1.00 0.00 O ATOM 657 CB ASP A 37 -9.423 -2.783 -4.575 1.00 0.00 C ATOM 658 CG ASP A 37 -9.123 -1.694 -3.534 1.00 0.00 C ATOM 659 OD1 ASP A 37 -8.472 -0.686 -3.775 1.00 0.00 O ATOM 660 OD2 ASP A 37 -9.673 -1.976 -2.316 1.00 0.00 O ATOM 0 H ASP A 37 -10.195 -0.605 -6.246 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.757 -3.540 -6.068 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.624 -3.707 -4.032 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.512 -2.944 -5.151 1.00 0.00 H new ATOM 665 N GLY A 38 -13.078 -2.787 -5.411 1.00 0.00 N ATOM 666 CA GLY A 38 -14.430 -2.512 -4.828 1.00 0.00 C ATOM 667 C GLY A 38 -14.835 -1.029 -4.637 1.00 0.00 C ATOM 668 O GLY A 38 -14.998 -0.583 -3.501 1.00 0.00 O ATOM 0 H GLY A 38 -13.088 -3.445 -6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.175 -2.985 -5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.485 -3.004 -3.857 1.00 0.00 H new ATOM 672 N ARG A 39 -14.905 -0.274 -5.745 1.00 0.00 N ATOM 673 CA ARG A 39 -14.950 1.223 -5.737 1.00 0.00 C ATOM 674 C ARG A 39 -13.777 2.043 -5.067 1.00 0.00 C ATOM 675 O ARG A 39 -13.986 3.226 -4.769 1.00 0.00 O ATOM 676 CB ARG A 39 -16.386 1.768 -5.438 1.00 0.00 C ATOM 677 CG ARG A 39 -16.869 1.707 -3.962 1.00 0.00 C ATOM 678 CD ARG A 39 -18.023 2.658 -3.595 1.00 0.00 C ATOM 679 NE ARG A 39 -17.513 4.052 -3.469 1.00 0.00 N ATOM 680 CZ ARG A 39 -18.192 5.083 -2.965 1.00 0.00 C ATOM 681 NH1 ARG A 39 -19.430 4.998 -2.542 1.00 0.00 N ATOM 682 NH2 ARG A 39 -17.594 6.236 -2.887 1.00 0.00 N ATOM 0 H ARG A 39 -14.933 -0.673 -6.683 1.00 0.00 H new ATOM 0 HA ARG A 39 -14.703 1.448 -6.774 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.430 2.806 -5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.095 1.210 -6.050 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.181 0.686 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.022 1.927 -3.313 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -18.799 2.613 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -18.481 2.343 -2.657 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.564 4.233 -3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.925 4.107 -2.589 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -19.898 5.822 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.630 6.333 -3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -18.089 7.042 -2.506 1.00 0.00 H new ATOM 696 N GLU A 40 -12.547 1.500 -4.895 1.00 0.00 N ATOM 697 CA GLU A 40 -11.376 2.286 -4.409 1.00 0.00 C ATOM 698 C GLU A 40 -10.183 2.159 -5.411 1.00 0.00 C ATOM 699 O GLU A 40 -9.786 1.055 -5.787 1.00 0.00 O ATOM 700 CB GLU A 40 -11.043 1.809 -2.969 1.00 0.00 C ATOM 701 CG GLU A 40 -9.942 2.636 -2.261 1.00 0.00 C ATOM 702 CD GLU A 40 -9.730 2.270 -0.794 1.00 0.00 C ATOM 703 OE1 GLU A 40 -8.991 1.364 -0.420 1.00 0.00 O ATOM 704 OE2 GLU A 40 -10.447 3.076 0.045 1.00 0.00 O ATOM 0 H GLU A 40 -12.336 0.520 -5.085 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.600 3.352 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.951 1.846 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.729 0.766 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.002 2.502 -2.797 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.199 3.693 -2.327 1.00 0.00 H new ATOM 711 N TYR A 41 -9.595 3.291 -5.836 1.00 0.00 N ATOM 712 CA TYR A 41 -8.437 3.291 -6.777 1.00 0.00 C ATOM 713 C TYR A 41 -7.078 3.382 -6.014 1.00 0.00 C ATOM 714 O TYR A 41 -6.788 4.381 -5.344 1.00 0.00 O ATOM 715 CB TYR A 41 -8.588 4.459 -7.791 1.00 0.00 C ATOM 716 CG TYR A 41 -9.678 4.289 -8.862 1.00 0.00 C ATOM 717 CD1 TYR A 41 -9.508 3.371 -9.904 1.00 0.00 C ATOM 718 CD2 TYR A 41 -10.838 5.072 -8.819 1.00 0.00 C ATOM 719 CE1 TYR A 41 -10.483 3.239 -10.891 1.00 0.00 C ATOM 720 CE2 TYR A 41 -11.813 4.935 -9.805 1.00 0.00 C ATOM 721 CZ TYR A 41 -11.635 4.020 -10.839 1.00 0.00 C ATOM 722 OH TYR A 41 -12.589 3.883 -11.810 1.00 0.00 O ATOM 0 H TYR A 41 -9.895 4.223 -5.549 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.434 2.347 -7.321 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.794 5.373 -7.234 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.632 4.602 -8.294 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.617 2.762 -9.944 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.977 5.784 -8.019 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.345 2.532 -11.695 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.707 5.539 -9.767 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.330 4.498 -11.629 1.00 0.00 H new ATOM 732 N LEU A 42 -6.231 2.350 -6.170 1.00 0.00 N ATOM 733 CA LEU A 42 -4.862 2.315 -5.585 1.00 0.00 C ATOM 734 C LEU A 42 -3.839 2.960 -6.572 1.00 0.00 C ATOM 735 O LEU A 42 -3.392 2.333 -7.541 1.00 0.00 O ATOM 736 CB LEU A 42 -4.465 0.845 -5.263 1.00 0.00 C ATOM 737 CG LEU A 42 -5.325 0.057 -4.245 1.00 0.00 C ATOM 738 CD1 LEU A 42 -4.902 -1.422 -4.211 1.00 0.00 C ATOM 739 CD2 LEU A 42 -5.276 0.643 -2.823 1.00 0.00 C ATOM 0 H LEU A 42 -6.467 1.513 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.852 2.890 -4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.466 0.288 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.439 0.851 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.355 0.142 -4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.517 -1.960 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.034 -1.861 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.854 -1.494 -3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.900 0.043 -2.161 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.248 0.633 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.645 1.668 -2.839 1.00 0.00 H new ATOM 751 N PHE A 43 -3.468 4.220 -6.312 1.00 0.00 N ATOM 752 CA PHE A 43 -2.407 4.934 -7.071 1.00 0.00 C ATOM 753 C PHE A 43 -1.020 4.613 -6.432 1.00 0.00 C ATOM 754 O PHE A 43 -0.854 4.689 -5.213 1.00 0.00 O ATOM 755 CB PHE A 43 -2.692 6.466 -7.025 1.00 0.00 C ATOM 756 CG PHE A 43 -3.794 7.026 -7.950 1.00 0.00 C ATOM 757 CD1 PHE A 43 -5.140 6.690 -7.759 1.00 0.00 C ATOM 758 CD2 PHE A 43 -3.464 7.957 -8.942 1.00 0.00 C ATOM 759 CE1 PHE A 43 -6.125 7.243 -8.572 1.00 0.00 C ATOM 760 CE2 PHE A 43 -4.459 8.562 -9.704 1.00 0.00 C ATOM 761 CZ PHE A 43 -5.786 8.185 -9.538 1.00 0.00 C ATOM 0 H PHE A 43 -3.888 4.782 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.399 4.609 -8.111 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.953 6.727 -5.999 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.763 6.986 -7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.415 5.998 -6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.428 8.208 -9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.155 6.940 -8.453 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.200 9.324 -10.424 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.554 8.623 -10.159 1.00 0.00 H new ATOM 771 N HIS A 44 0.003 4.284 -7.233 1.00 0.00 N ATOM 772 CA HIS A 44 1.386 4.101 -6.704 1.00 0.00 C ATOM 773 C HIS A 44 2.099 5.475 -6.442 1.00 0.00 C ATOM 774 O HIS A 44 1.908 6.440 -7.196 1.00 0.00 O ATOM 775 CB HIS A 44 2.144 3.183 -7.704 1.00 0.00 C ATOM 776 CG HIS A 44 3.442 2.592 -7.152 1.00 0.00 C ATOM 777 ND1 HIS A 44 4.668 3.220 -7.227 1.00 0.00 N ATOM 778 CD2 HIS A 44 3.558 1.411 -6.400 1.00 0.00 C ATOM 779 CE1 HIS A 44 5.424 2.363 -6.475 1.00 0.00 C ATOM 780 NE2 HIS A 44 4.855 1.235 -5.941 1.00 0.00 N ATOM 0 H HIS A 44 -0.086 4.138 -8.239 1.00 0.00 H new ATOM 0 HA HIS A 44 1.369 3.621 -5.725 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.485 2.368 -8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.372 3.755 -8.604 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.744 0.729 -6.205 1.00 0.00 H new ATOM 0 HE1 HIS A 44 6.469 2.575 -6.302 1.00 0.00 H new ATOM 0 HE2 HIS A 44 5.263 0.490 -5.376 1.00 0.00 H new ATOM 788 N GLU A 45 2.982 5.552 -5.423 1.00 0.00 N ATOM 789 CA GLU A 45 3.899 6.724 -5.227 1.00 0.00 C ATOM 790 C GLU A 45 5.038 6.820 -6.309 1.00 0.00 C ATOM 791 O GLU A 45 6.219 6.556 -6.081 1.00 0.00 O ATOM 792 CB GLU A 45 4.424 6.722 -3.766 1.00 0.00 C ATOM 793 CG GLU A 45 3.399 7.262 -2.740 1.00 0.00 C ATOM 794 CD GLU A 45 3.840 7.116 -1.294 1.00 0.00 C ATOM 795 OE1 GLU A 45 3.511 5.892 -0.788 1.00 0.00 O ATOM 796 OE2 GLU A 45 4.412 8.004 -0.668 1.00 0.00 O ATOM 0 H GLU A 45 3.088 4.823 -4.717 1.00 0.00 H new ATOM 0 HA GLU A 45 3.327 7.639 -5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.701 5.705 -3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.331 7.325 -3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.212 8.316 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.453 6.738 -2.876 1.00 0.00 H new ATOM 803 N SER A 46 4.589 7.217 -7.505 1.00 0.00 N ATOM 804 CA SER A 46 5.335 7.214 -8.799 1.00 0.00 C ATOM 805 C SER A 46 4.386 7.541 -10.009 1.00 0.00 C ATOM 806 O SER A 46 4.888 8.071 -11.004 1.00 0.00 O ATOM 807 CB SER A 46 6.126 5.922 -9.137 1.00 0.00 C ATOM 808 OG SER A 46 6.940 6.126 -10.294 1.00 0.00 O ATOM 0 H SER A 46 3.640 7.573 -7.618 1.00 0.00 H new ATOM 0 HA SER A 46 6.080 7.995 -8.647 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.751 5.638 -8.290 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.433 5.099 -9.312 1.00 0.00 H new ATOM 0 HG SER A 46 6.483 6.734 -10.912 1.00 0.00 H new ATOM 814 N ALA A 47 3.065 7.225 -9.972 1.00 0.00 N ATOM 815 CA ALA A 47 2.086 7.673 -10.991 1.00 0.00 C ATOM 816 C ALA A 47 1.956 9.223 -11.094 1.00 0.00 C ATOM 817 O ALA A 47 1.766 9.922 -10.094 1.00 0.00 O ATOM 818 CB ALA A 47 0.743 6.997 -10.655 1.00 0.00 C ATOM 0 H ALA A 47 2.652 6.653 -9.235 1.00 0.00 H new ATOM 0 HA ALA A 47 2.433 7.374 -11.980 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.009 7.300 -11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.863 5.914 -10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.424 7.298 -9.657 1.00 0.00 H new ATOM 824 N VAL A 48 2.122 9.743 -12.313 1.00 0.00 N ATOM 825 CA VAL A 48 2.148 11.212 -12.590 1.00 0.00 C ATOM 826 C VAL A 48 1.361 11.514 -13.907 1.00 0.00 C ATOM 827 O VAL A 48 1.025 10.619 -14.693 1.00 0.00 O ATOM 828 CB VAL A 48 3.609 11.806 -12.585 1.00 0.00 C ATOM 829 CG1 VAL A 48 4.227 11.886 -11.172 1.00 0.00 C ATOM 830 CG2 VAL A 48 4.612 11.117 -13.541 1.00 0.00 C ATOM 0 H VAL A 48 2.244 9.170 -13.148 1.00 0.00 H new ATOM 0 HA VAL A 48 1.642 11.727 -11.774 1.00 0.00 H new ATOM 0 HB VAL A 48 3.449 12.813 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.232 12.303 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.610 12.525 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.276 10.887 -10.739 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.585 11.602 -13.459 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.707 10.065 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.251 11.198 -14.566 1.00 0.00 H new ATOM 840 N LYS A 49 1.067 12.801 -14.168 1.00 0.00 N ATOM 841 CA LYS A 49 0.412 13.219 -15.435 1.00 0.00 C ATOM 842 C LYS A 49 1.427 13.182 -16.636 1.00 0.00 C ATOM 843 O LYS A 49 2.247 14.091 -16.807 1.00 0.00 O ATOM 844 CB LYS A 49 -0.195 14.645 -15.291 1.00 0.00 C ATOM 845 CG LYS A 49 -1.280 14.893 -14.212 1.00 0.00 C ATOM 846 CD LYS A 49 -0.808 15.637 -12.940 1.00 0.00 C ATOM 847 CE LYS A 49 -0.682 17.170 -13.050 1.00 0.00 C ATOM 848 NZ LYS A 49 0.604 17.590 -13.644 1.00 0.00 N ATOM 0 H LYS A 49 1.268 13.569 -13.528 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.392 12.513 -15.644 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.627 15.335 -15.097 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.621 14.921 -16.256 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.091 15.464 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.696 13.930 -13.914 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.503 15.408 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.162 15.234 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.502 17.556 -13.656 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.782 17.612 -12.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.777 18.592 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.373 17.011 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.568 17.463 -14.676 1.00 0.00 H new ATOM 861 N VAL A 50 1.360 12.137 -17.478 1.00 0.00 N ATOM 862 CA VAL A 50 2.104 12.078 -18.769 1.00 0.00 C ATOM 863 C VAL A 50 1.416 12.993 -19.833 1.00 0.00 C ATOM 864 O VAL A 50 0.219 12.855 -20.107 1.00 0.00 O ATOM 865 CB VAL A 50 2.291 10.588 -19.234 1.00 0.00 C ATOM 866 CG1 VAL A 50 1.026 9.871 -19.773 1.00 0.00 C ATOM 867 CG2 VAL A 50 3.407 10.438 -20.293 1.00 0.00 C ATOM 0 H VAL A 50 0.795 11.308 -17.294 1.00 0.00 H new ATOM 0 HA VAL A 50 3.110 12.474 -18.633 1.00 0.00 H new ATOM 0 HB VAL A 50 2.561 10.096 -18.300 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.281 8.851 -20.062 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.262 9.848 -18.996 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.645 10.409 -20.641 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.497 9.391 -20.581 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.159 11.036 -21.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.353 10.782 -19.875 1.00 0.00 H new ATOM 877 N ASP A 51 2.169 13.907 -20.466 1.00 0.00 N ATOM 878 CA ASP A 51 1.643 14.732 -21.591 1.00 0.00 C ATOM 879 C ASP A 51 1.313 13.832 -22.826 1.00 0.00 C ATOM 880 O ASP A 51 2.217 13.226 -23.410 1.00 0.00 O ATOM 881 CB ASP A 51 2.663 15.844 -21.948 1.00 0.00 C ATOM 882 CG ASP A 51 2.784 16.954 -20.904 1.00 0.00 C ATOM 883 OD1 ASP A 51 2.004 17.896 -20.821 1.00 0.00 O ATOM 884 OD2 ASP A 51 3.845 16.770 -20.071 1.00 0.00 O ATOM 0 H ASP A 51 3.141 14.101 -20.227 1.00 0.00 H new ATOM 0 HA ASP A 51 0.714 15.211 -21.282 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.643 15.388 -22.090 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.377 16.289 -22.901 1.00 0.00 H new ATOM 889 N LEU A 52 0.015 13.709 -23.177 1.00 0.00 N ATOM 890 CA LEU A 52 -0.463 12.736 -24.203 1.00 0.00 C ATOM 891 C LEU A 52 0.090 13.047 -25.634 1.00 0.00 C ATOM 892 O LEU A 52 -0.409 13.923 -26.348 1.00 0.00 O ATOM 893 CB LEU A 52 -2.015 12.674 -24.107 1.00 0.00 C ATOM 894 CG LEU A 52 -2.730 11.696 -25.092 1.00 0.00 C ATOM 895 CD1 LEU A 52 -3.689 10.735 -24.374 1.00 0.00 C ATOM 896 CD2 LEU A 52 -3.503 12.450 -26.190 1.00 0.00 C ATOM 0 H LEU A 52 -0.730 14.272 -22.766 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.066 11.741 -24.000 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.284 12.392 -23.089 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.409 13.677 -24.274 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.933 11.111 -25.552 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.160 10.077 -25.105 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.132 10.137 -23.653 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.457 11.308 -23.854 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.985 11.732 -26.854 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.260 13.086 -25.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.811 13.067 -26.764 1.00 0.00 H new ATOM 908 N ASN A 53 1.157 12.324 -26.008 1.00 0.00 N ATOM 909 CA ASN A 53 1.960 12.625 -27.216 1.00 0.00 C ATOM 910 C ASN A 53 1.844 11.432 -28.209 1.00 0.00 C ATOM 911 O ASN A 53 2.273 10.310 -27.923 1.00 0.00 O ATOM 912 CB ASN A 53 3.417 12.920 -26.759 1.00 0.00 C ATOM 913 CG ASN A 53 4.183 13.824 -27.725 1.00 0.00 C ATOM 914 OD1 ASN A 53 4.777 13.382 -28.700 1.00 0.00 O ATOM 915 ND2 ASN A 53 4.173 15.117 -27.501 1.00 0.00 N ATOM 0 H ASN A 53 1.492 11.514 -25.486 1.00 0.00 H new ATOM 0 HA ASN A 53 1.599 13.505 -27.748 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.394 13.388 -25.775 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.954 11.978 -26.651 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.659 15.749 -28.138 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.680 15.490 -26.690 1.00 0.00 H new ATOM 922 N ARG A 54 1.225 11.690 -29.367 1.00 0.00 N ATOM 923 CA ARG A 54 0.965 10.662 -30.411 1.00 0.00 C ATOM 924 C ARG A 54 1.626 11.065 -31.776 1.00 0.00 C ATOM 925 O ARG A 54 1.625 12.263 -32.095 1.00 0.00 O ATOM 926 CB ARG A 54 -0.576 10.437 -30.495 1.00 0.00 C ATOM 927 CG ARG A 54 -1.425 11.585 -31.106 1.00 0.00 C ATOM 928 CD ARG A 54 -2.906 11.528 -30.697 1.00 0.00 C ATOM 929 NE ARG A 54 -3.636 12.633 -31.378 1.00 0.00 N ATOM 930 CZ ARG A 54 -4.840 13.092 -31.040 1.00 0.00 C ATOM 931 NH1 ARG A 54 -5.542 12.623 -30.038 1.00 0.00 N ATOM 932 NH2 ARG A 54 -5.350 14.061 -31.745 1.00 0.00 N ATOM 0 H ARG A 54 0.885 12.618 -29.618 1.00 0.00 H new ATOM 0 HA ARG A 54 1.429 9.711 -30.148 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.755 9.535 -31.080 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.945 10.242 -29.488 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.006 12.542 -30.796 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.353 11.542 -32.193 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.337 10.565 -30.973 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.003 11.622 -29.615 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.174 13.077 -32.172 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.171 11.864 -29.467 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.459 13.017 -29.829 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.829 14.448 -32.532 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.270 14.433 -31.510 1.00 0.00 H new ATOM 946 N PRO A 55 2.150 10.144 -32.639 1.00 0.00 N ATOM 947 CA PRO A 55 2.659 10.525 -33.987 1.00 0.00 C ATOM 948 C PRO A 55 1.560 11.036 -34.980 1.00 0.00 C ATOM 949 O PRO A 55 0.352 10.889 -34.759 1.00 0.00 O ATOM 950 CB PRO A 55 3.360 9.220 -34.426 1.00 0.00 C ATOM 951 CG PRO A 55 2.595 8.095 -33.726 1.00 0.00 C ATOM 952 CD PRO A 55 2.214 8.692 -32.371 1.00 0.00 C ATOM 0 HA PRO A 55 3.319 11.392 -33.972 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.329 9.102 -35.509 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.411 9.221 -34.136 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.713 7.799 -34.294 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.213 7.205 -33.610 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.258 8.307 -32.017 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.955 8.457 -31.606 1.00 0.00 H new ATOM 960 N VAL A 56 2.002 11.640 -36.094 1.00 0.00 N ATOM 961 CA VAL A 56 1.089 12.087 -37.195 1.00 0.00 C ATOM 962 C VAL A 56 0.316 10.906 -37.890 1.00 0.00 C ATOM 963 O VAL A 56 0.671 9.731 -37.743 1.00 0.00 O ATOM 964 CB VAL A 56 1.842 13.020 -38.215 1.00 0.00 C ATOM 965 CG1 VAL A 56 2.316 14.355 -37.597 1.00 0.00 C ATOM 966 CG2 VAL A 56 3.019 12.360 -38.973 1.00 0.00 C ATOM 0 H VAL A 56 2.987 11.837 -36.271 1.00 0.00 H new ATOM 0 HA VAL A 56 0.306 12.686 -36.729 1.00 0.00 H new ATOM 0 HB VAL A 56 1.065 13.225 -38.951 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.826 14.947 -38.357 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.455 14.909 -37.223 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.002 14.152 -36.774 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.469 13.087 -39.649 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.767 12.019 -38.257 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.651 11.509 -39.547 1.00 0.00 H new ATOM 976 N THR A 57 -0.756 11.221 -38.645 1.00 0.00 N ATOM 977 CA THR A 57 -1.619 10.204 -39.329 1.00 0.00 C ATOM 978 C THR A 57 -0.822 9.221 -40.247 1.00 0.00 C ATOM 979 O THR A 57 -0.216 9.658 -41.233 1.00 0.00 O ATOM 980 CB THR A 57 -2.734 10.891 -40.178 1.00 0.00 C ATOM 981 OG1 THR A 57 -2.154 11.732 -41.175 1.00 0.00 O ATOM 982 CG2 THR A 57 -3.759 11.722 -39.391 1.00 0.00 C ATOM 0 H THR A 57 -1.057 12.182 -38.805 1.00 0.00 H new ATOM 0 HA THR A 57 -2.062 9.619 -38.523 1.00 0.00 H new ATOM 0 HB THR A 57 -3.283 10.055 -40.611 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.339 11.313 -41.523 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.485 12.152 -40.081 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.274 11.082 -38.675 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.246 12.523 -38.858 1.00 0.00 H new ATOM 990 N GLY A 58 -0.822 7.921 -39.900 1.00 0.00 N ATOM 991 CA GLY A 58 0.068 6.916 -40.538 1.00 0.00 C ATOM 992 C GLY A 58 -0.150 6.674 -42.045 1.00 0.00 C ATOM 993 O GLY A 58 -1.128 6.037 -42.444 1.00 0.00 O ATOM 0 H GLY A 58 -1.430 7.534 -39.178 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.101 7.228 -40.387 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.058 5.967 -40.017 1.00 0.00 H new ATOM 997 N SER A 59 0.783 7.173 -42.868 1.00 0.00 N ATOM 998 CA SER A 59 0.701 7.072 -44.349 1.00 0.00 C ATOM 999 C SER A 59 1.030 5.642 -44.886 1.00 0.00 C ATOM 1000 O SER A 59 2.146 5.338 -45.323 1.00 0.00 O ATOM 1001 CB SER A 59 1.577 8.198 -44.956 1.00 0.00 C ATOM 1002 OG SER A 59 2.952 8.095 -44.571 1.00 0.00 O ATOM 0 H SER A 59 1.617 7.658 -42.537 1.00 0.00 H new ATOM 0 HA SER A 59 -0.329 7.222 -44.673 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.505 8.163 -46.043 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.187 9.166 -44.641 1.00 0.00 H new ATOM 0 HG SER A 59 3.247 7.164 -44.656 1.00 0.00 H new ATOM 1008 N LEU A 60 0.017 4.756 -44.850 1.00 0.00 N ATOM 1009 CA LEU A 60 0.183 3.334 -45.243 1.00 0.00 C ATOM 1010 C LEU A 60 0.155 3.194 -46.799 1.00 0.00 C ATOM 1011 O LEU A 60 -0.908 3.184 -47.431 1.00 0.00 O ATOM 1012 CB LEU A 60 -0.891 2.468 -44.516 1.00 0.00 C ATOM 1013 CG LEU A 60 -0.412 1.039 -44.140 1.00 0.00 C ATOM 1014 CD1 LEU A 60 0.401 1.052 -42.830 1.00 0.00 C ATOM 1015 CD2 LEU A 60 -1.599 0.075 -43.988 1.00 0.00 C ATOM 0 H LEU A 60 -0.929 4.996 -44.553 1.00 0.00 H new ATOM 0 HA LEU A 60 1.158 2.961 -44.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.204 2.984 -43.608 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.770 2.387 -45.156 1.00 0.00 H new ATOM 0 HG LEU A 60 0.225 0.692 -44.953 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.723 0.038 -42.592 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.275 1.692 -42.951 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.220 1.435 -42.020 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.231 -0.917 -43.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.263 0.436 -43.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.146 0.021 -44.929 1.00 0.00 H new ATOM 1027 N LEU A 61 1.350 3.126 -47.410 1.00 0.00 N ATOM 1028 CA LEU A 61 1.510 3.109 -48.888 1.00 0.00 C ATOM 1029 C LEU A 61 1.042 1.758 -49.521 1.00 0.00 C ATOM 1030 O LEU A 61 1.746 0.744 -49.482 1.00 0.00 O ATOM 1031 CB LEU A 61 2.950 3.545 -49.294 1.00 0.00 C ATOM 1032 CG LEU A 61 4.170 2.749 -48.732 1.00 0.00 C ATOM 1033 CD1 LEU A 61 5.258 2.557 -49.804 1.00 0.00 C ATOM 1034 CD2 LEU A 61 4.796 3.434 -47.502 1.00 0.00 C ATOM 0 H LEU A 61 2.234 3.081 -46.902 1.00 0.00 H new ATOM 0 HA LEU A 61 0.838 3.853 -49.315 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.009 3.512 -50.382 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.073 4.587 -48.999 1.00 0.00 H new ATOM 0 HG LEU A 61 3.781 1.777 -48.430 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.093 1.999 -49.379 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.844 2.005 -50.648 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.609 3.531 -50.145 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.641 2.843 -47.147 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.140 4.431 -47.777 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.050 3.513 -46.711 1.00 0.00 H new ATOM 1046 N LYS A 62 -0.181 1.755 -50.081 1.00 0.00 N ATOM 1047 CA LYS A 62 -0.817 0.527 -50.626 1.00 0.00 C ATOM 1048 C LYS A 62 -0.107 -0.092 -51.881 1.00 0.00 C ATOM 1049 O LYS A 62 0.685 0.557 -52.572 1.00 0.00 O ATOM 1050 CB LYS A 62 -2.341 0.798 -50.812 1.00 0.00 C ATOM 1051 CG LYS A 62 -2.785 1.798 -51.917 1.00 0.00 C ATOM 1052 CD LYS A 62 -3.266 3.189 -51.442 1.00 0.00 C ATOM 1053 CE LYS A 62 -4.643 3.218 -50.743 1.00 0.00 C ATOM 1054 NZ LYS A 62 -4.524 3.242 -49.272 1.00 0.00 N ATOM 0 H LYS A 62 -0.757 2.592 -50.171 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.689 -0.273 -49.896 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.826 -0.157 -51.014 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.733 1.159 -49.861 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.949 1.942 -52.601 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.590 1.337 -52.490 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.522 3.596 -50.757 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.303 3.855 -52.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.198 4.096 -51.075 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.220 2.343 -51.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.416 3.579 -48.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.321 2.283 -48.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.751 3.881 -48.997 1.00 0.00 H new ATOM 1067 N ARG A 63 -0.391 -1.378 -52.152 1.00 0.00 N ATOM 1068 CA ARG A 63 0.317 -2.182 -53.192 1.00 0.00 C ATOM 1069 C ARG A 63 0.018 -1.773 -54.682 1.00 0.00 C ATOM 1070 O ARG A 63 -0.795 -2.382 -55.384 1.00 0.00 O ATOM 1071 CB ARG A 63 0.076 -3.685 -52.851 1.00 0.00 C ATOM 1072 CG ARG A 63 -1.392 -4.214 -52.900 1.00 0.00 C ATOM 1073 CD ARG A 63 -1.688 -5.223 -54.025 1.00 0.00 C ATOM 1074 NE ARG A 63 -1.268 -6.597 -53.634 1.00 0.00 N ATOM 1075 CZ ARG A 63 -1.302 -7.666 -54.429 1.00 0.00 C ATOM 1076 NH1 ARG A 63 -1.601 -7.609 -55.704 1.00 0.00 N ATOM 1077 NH2 ARG A 63 -1.024 -8.829 -53.916 1.00 0.00 N ATOM 0 H ARG A 63 -1.117 -1.900 -51.661 1.00 0.00 H new ATOM 0 HA ARG A 63 1.385 -1.967 -53.151 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.672 -4.285 -53.539 1.00 0.00 H new ATOM 0 HB3 ARG A 63 0.465 -3.868 -51.850 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -1.625 -4.682 -51.943 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.064 -3.363 -53.011 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.754 -5.216 -54.253 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.165 -4.924 -54.933 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.927 -6.731 -52.682 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.823 -6.712 -56.136 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.611 -8.461 -56.264 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.787 -8.907 -52.927 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.043 -9.663 -54.503 1.00 0.00 H new ATOM 1091 N ILE A 64 0.712 -0.723 -55.151 1.00 0.00 N ATOM 1092 CA ILE A 64 0.517 -0.132 -56.512 1.00 0.00 C ATOM 1093 C ILE A 64 1.454 -0.765 -57.604 1.00 0.00 C ATOM 1094 O ILE A 64 2.460 -1.417 -57.308 1.00 0.00 O ATOM 1095 CB ILE A 64 0.613 1.441 -56.458 1.00 0.00 C ATOM 1096 CG1 ILE A 64 1.980 2.006 -55.962 1.00 0.00 C ATOM 1097 CG2 ILE A 64 -0.565 2.078 -55.677 1.00 0.00 C ATOM 1098 CD1 ILE A 64 2.304 3.426 -56.458 1.00 0.00 C ATOM 0 H ILE A 64 1.431 -0.248 -54.604 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.493 -0.389 -56.831 1.00 0.00 H new ATOM 0 HB ILE A 64 0.539 1.739 -57.504 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.984 2.006 -54.872 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.775 1.333 -56.284 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.452 3.162 -55.669 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.506 1.815 -56.160 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.566 1.706 -54.653 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.272 3.737 -56.064 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.336 3.432 -57.547 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.534 4.116 -56.114 1.00 0.00 H new ATOM 1110 N ARG A 65 1.110 -0.549 -58.888 1.00 0.00 N ATOM 1111 CA ARG A 65 1.934 -0.992 -60.051 1.00 0.00 C ATOM 1112 C ARG A 65 2.210 0.190 -61.041 1.00 0.00 C ATOM 1113 O ARG A 65 1.319 0.995 -61.335 1.00 0.00 O ATOM 1114 CB ARG A 65 1.274 -2.221 -60.752 1.00 0.00 C ATOM 1115 CG ARG A 65 -0.107 -2.030 -61.448 1.00 0.00 C ATOM 1116 CD ARG A 65 -1.345 -2.306 -60.568 1.00 0.00 C ATOM 1117 NE ARG A 65 -1.701 -3.752 -60.602 1.00 0.00 N ATOM 1118 CZ ARG A 65 -2.834 -4.276 -60.136 1.00 0.00 C ATOM 1119 NH1 ARG A 65 -3.714 -3.597 -59.441 1.00 0.00 N ATOM 1120 NH2 ARG A 65 -3.082 -5.530 -60.383 1.00 0.00 N ATOM 0 H ARG A 65 0.255 -0.063 -59.158 1.00 0.00 H new ATOM 0 HA ARG A 65 2.908 -1.314 -59.683 1.00 0.00 H new ATOM 0 HB2 ARG A 65 1.974 -2.590 -61.502 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.162 -3.007 -60.005 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.168 -1.006 -61.818 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.149 -2.686 -62.317 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.144 -2.000 -59.541 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.188 -1.710 -60.919 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.023 -4.392 -61.015 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.548 -2.613 -59.231 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.564 -4.053 -59.110 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.417 -6.085 -60.921 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.942 -5.957 -60.038 1.00 0.00 H new ATOM 1134 N ASN A 66 3.431 0.262 -61.600 1.00 0.00 N ATOM 1135 CA ASN A 66 3.774 1.211 -62.700 1.00 0.00 C ATOM 1136 C ASN A 66 3.522 0.595 -64.122 1.00 0.00 C ATOM 1137 O ASN A 66 3.876 -0.560 -64.382 1.00 0.00 O ATOM 1138 CB ASN A 66 5.227 1.731 -62.496 1.00 0.00 C ATOM 1139 CG ASN A 66 6.374 0.708 -62.590 1.00 0.00 C ATOM 1140 OD1 ASN A 66 6.495 -0.204 -61.779 1.00 0.00 O ATOM 1141 ND2 ASN A 66 7.249 0.822 -63.560 1.00 0.00 N ATOM 0 H ASN A 66 4.211 -0.328 -61.311 1.00 0.00 H new ATOM 0 HA ASN A 66 3.103 2.069 -62.653 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.411 2.510 -63.236 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.279 2.204 -61.515 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.019 0.157 -63.633 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.160 1.576 -64.241 1.00 0.00 H new ATOM 1148 N GLY A 67 2.929 1.370 -65.048 1.00 0.00 N ATOM 1149 CA GLY A 67 2.608 0.863 -66.411 1.00 0.00 C ATOM 1150 C GLY A 67 2.095 1.957 -67.366 1.00 0.00 C ATOM 1151 O GLY A 67 0.939 2.370 -67.254 1.00 0.00 O ATOM 0 H GLY A 67 2.661 2.341 -64.888 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.500 0.406 -66.840 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.855 0.079 -66.331 1.00 0.00 H new ATOM 1155 N LYS A 68 2.944 2.432 -68.296 1.00 0.00 N ATOM 1156 CA LYS A 68 2.585 3.544 -69.229 1.00 0.00 C ATOM 1157 C LYS A 68 3.359 3.418 -70.588 1.00 0.00 C ATOM 1158 O LYS A 68 4.543 3.068 -70.614 1.00 0.00 O ATOM 1159 CB LYS A 68 2.830 4.904 -68.497 1.00 0.00 C ATOM 1160 CG LYS A 68 2.021 6.117 -69.017 1.00 0.00 C ATOM 1161 CD LYS A 68 2.718 6.932 -70.124 1.00 0.00 C ATOM 1162 CE LYS A 68 1.774 7.961 -70.764 1.00 0.00 C ATOM 1163 NZ LYS A 68 2.449 8.600 -71.910 1.00 0.00 N ATOM 0 H LYS A 68 3.888 2.070 -68.430 1.00 0.00 H new ATOM 0 HA LYS A 68 1.530 3.490 -69.497 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.603 4.769 -67.439 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.891 5.144 -68.567 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.063 5.761 -69.396 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.806 6.779 -68.178 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.583 7.446 -69.705 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.090 6.255 -70.893 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.857 7.473 -71.094 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.488 8.714 -70.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.817 9.309 -72.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.321 9.064 -71.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 2.685 7.878 -72.620 1.00 0.00 H new ATOM 1176 N LYS A 69 2.684 3.714 -71.717 1.00 0.00 N ATOM 1177 CA LYS A 69 3.294 3.667 -73.082 1.00 0.00 C ATOM 1178 C LYS A 69 3.559 5.084 -73.697 1.00 0.00 C ATOM 1179 O LYS A 69 2.801 6.038 -73.497 1.00 0.00 O ATOM 1180 CB LYS A 69 2.367 2.830 -74.012 1.00 0.00 C ATOM 1181 CG LYS A 69 2.619 1.305 -73.962 1.00 0.00 C ATOM 1182 CD LYS A 69 1.685 0.500 -74.894 1.00 0.00 C ATOM 1183 CE LYS A 69 0.288 0.201 -74.318 1.00 0.00 C ATOM 1184 NZ LYS A 69 0.326 -0.961 -73.406 1.00 0.00 N ATOM 0 H LYS A 69 1.703 3.993 -71.720 1.00 0.00 H new ATOM 0 HA LYS A 69 4.274 3.199 -72.991 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.329 3.023 -73.740 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.497 3.174 -75.038 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.655 1.106 -74.237 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.488 0.956 -72.938 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.566 1.050 -75.827 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.169 -0.445 -75.141 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.083 1.075 -73.783 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.410 0.006 -75.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.628 -1.140 -73.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.658 -1.799 -73.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.975 -0.763 -72.618 1.00 0.00 H new ATOM 1197 N ALA A 70 4.631 5.183 -74.505 1.00 0.00 N ATOM 1198 CA ALA A 70 4.942 6.386 -75.325 1.00 0.00 C ATOM 1199 C ALA A 70 5.108 6.039 -76.844 1.00 0.00 C ATOM 1200 O ALA A 70 5.388 4.896 -77.221 1.00 0.00 O ATOM 1201 CB ALA A 70 6.219 7.008 -74.722 1.00 0.00 C ATOM 0 H ALA A 70 5.313 4.432 -74.613 1.00 0.00 H new ATOM 0 HA ALA A 70 4.118 7.099 -75.293 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.493 7.898 -75.289 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.035 7.282 -73.683 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.033 6.284 -74.768 1.00 0.00 H new ATOM 1207 N LYS A 71 4.949 7.053 -77.722 1.00 0.00 N ATOM 1208 CA LYS A 71 4.990 6.887 -79.213 1.00 0.00 C ATOM 1209 C LYS A 71 3.730 6.161 -79.825 1.00 0.00 C ATOM 1210 O LYS A 71 2.746 5.880 -79.133 1.00 0.00 O ATOM 1211 CB LYS A 71 6.392 6.371 -79.706 1.00 0.00 C ATOM 1212 CG LYS A 71 7.038 7.183 -80.854 1.00 0.00 C ATOM 1213 CD LYS A 71 7.830 8.405 -80.344 1.00 0.00 C ATOM 1214 CE LYS A 71 8.364 9.284 -81.486 1.00 0.00 C ATOM 1215 NZ LYS A 71 9.218 10.354 -80.935 1.00 0.00 N ATOM 0 H LYS A 71 4.788 8.016 -77.428 1.00 0.00 H new ATOM 0 HA LYS A 71 4.894 7.884 -79.643 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.077 6.367 -78.858 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.284 5.337 -80.033 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.704 6.534 -81.423 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.260 7.519 -81.539 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.189 9.005 -79.699 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.665 8.062 -79.733 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.934 8.677 -82.189 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.533 9.719 -82.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.577 10.946 -81.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.661 10.941 -80.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.019 9.931 -80.424 1.00 0.00 H new ATOM 1228 N SER A 72 3.735 5.887 -81.145 1.00 0.00 N ATOM 1229 CA SER A 72 2.629 5.167 -81.835 1.00 0.00 C ATOM 1230 C SER A 72 2.643 3.630 -81.614 1.00 0.00 C ATOM 1231 O SER A 72 3.683 2.974 -81.700 1.00 0.00 O ATOM 1232 CB SER A 72 2.658 5.534 -83.338 1.00 0.00 C ATOM 1233 OG SER A 72 3.857 5.092 -83.982 1.00 0.00 O ATOM 1234 OXT SER A 72 1.592 3.041 -81.357 1.00 0.00 O ATOM 0 H SER A 72 4.499 6.154 -81.766 1.00 0.00 H new ATOM 0 HA SER A 72 1.690 5.495 -81.389 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.796 5.089 -83.835 1.00 0.00 H new ATOM 0 HB3 SER A 72 2.566 6.615 -83.448 1.00 0.00 H new ATOM 0 HG SER A 72 3.831 5.343 -84.929 1.00 0.00 H new TER 1240 SER A 72