USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 471 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 HIS : no HD1:sc= -0.828 X(o=-2.4,f=-2.7) USER MOD Set 1.2: A 45 GLN : amide:sc= -1.53 X(o=-2.4,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 40:sc= 0.16 USER MOD Single : A 11 ASN : amide:sc=-0.00315 X(o=-0.0032,f=-0.12) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HE2:sc= -10.4! C(o=-10!,f=-12!) USER MOD Single : A 18 GLN : amide:sc= -0.0118 K(o=-0.012,f=-2.9!) USER MOD Single : A 20 MET CE :methyl 159:sc= -2 (180deg=-3.9!) USER MOD Single : A 22 ASN : amide:sc= -0.0716 K(o=-0.072,f=-1.8!) USER MOD Single : A 23 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.2) USER MOD Single : A 30 CYS SG : rot 133:sc= 0.203 USER MOD Single : A 34 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.47) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= -0.247 K(o=-0.25,f=-3!) USER MOD Single : A 40 GLN : amide:sc= -0.0219 X(o=-0.022,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 78:sc= 0.00727 USER MOD Single : A 55 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.373 X(o=-0.37,f=-0.3) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.31) USER MOD Single : A 64 HIS : no HD1:sc= -1.15 X(o=-1.2,f=-0.93) USER MOD Single : A 65 HIS : no HD1:sc= -0.0779 K(o=-0.078,f=-0.61) USER MOD Single : A 66 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.789 -0.627 -4.992 1.00 0.00 N ATOM 2 CA GLY A 1 37.566 -1.360 -5.273 1.00 0.00 C ATOM 3 C GLY A 1 36.553 -0.477 -6.005 1.00 0.00 C ATOM 4 O GLY A 1 36.199 0.598 -5.523 1.00 0.00 O ATOM 0 H1 GLY A 1 39.459 -1.248 -4.495 1.00 0.00 H new ATOM 0 H2 GLY A 1 39.213 -0.304 -5.885 1.00 0.00 H new ATOM 0 H3 GLY A 1 38.571 0.196 -4.394 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.794 -2.237 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.132 -1.721 -4.341 1.00 0.00 H new ATOM 8 N SER A 2 36.116 -0.964 -7.157 1.00 0.00 N ATOM 9 CA SER A 2 35.151 -0.232 -7.960 1.00 0.00 C ATOM 10 C SER A 2 33.809 -0.969 -7.965 1.00 0.00 C ATOM 11 O SER A 2 33.732 -2.122 -8.385 1.00 0.00 O ATOM 12 CB SER A 2 35.657 -0.041 -9.391 1.00 0.00 C ATOM 13 OG SER A 2 36.262 1.235 -9.576 1.00 0.00 O ATOM 0 H SER A 2 36.412 -1.856 -7.553 1.00 0.00 H new ATOM 0 HA SER A 2 35.015 0.755 -7.517 1.00 0.00 H new ATOM 0 HB2 SER A 2 36.379 -0.823 -9.628 1.00 0.00 H new ATOM 0 HB3 SER A 2 34.826 -0.153 -10.088 1.00 0.00 H new ATOM 0 HG SER A 2 36.574 1.318 -10.501 1.00 0.00 H new ATOM 19 N SER A 3 32.786 -0.272 -7.494 1.00 0.00 N ATOM 20 CA SER A 3 31.452 -0.845 -7.439 1.00 0.00 C ATOM 21 C SER A 3 30.410 0.222 -7.780 1.00 0.00 C ATOM 22 O SER A 3 30.243 1.191 -7.041 1.00 0.00 O ATOM 23 CB SER A 3 31.166 -1.444 -6.061 1.00 0.00 C ATOM 24 OG SER A 3 31.899 -2.646 -5.839 1.00 0.00 O ATOM 0 H SER A 3 32.854 0.685 -7.147 1.00 0.00 H new ATOM 0 HA SER A 3 31.395 -1.648 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 31.420 -0.717 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.099 -1.648 -5.968 1.00 0.00 H new ATOM 0 HG SER A 3 31.690 -2.997 -4.948 1.00 0.00 H new ATOM 30 N GLY A 4 29.735 0.008 -8.900 1.00 0.00 N ATOM 31 CA GLY A 4 28.714 0.939 -9.349 1.00 0.00 C ATOM 32 C GLY A 4 27.384 0.220 -9.589 1.00 0.00 C ATOM 33 O GLY A 4 27.305 -0.685 -10.417 1.00 0.00 O ATOM 0 H GLY A 4 29.876 -0.797 -9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.579 1.723 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.040 1.426 -10.268 1.00 0.00 H new ATOM 37 N SER A 5 26.373 0.652 -8.849 1.00 0.00 N ATOM 38 CA SER A 5 25.051 0.061 -8.971 1.00 0.00 C ATOM 39 C SER A 5 24.028 1.139 -9.331 1.00 0.00 C ATOM 40 O SER A 5 23.359 1.046 -10.359 1.00 0.00 O ATOM 41 CB SER A 5 24.643 -0.647 -7.677 1.00 0.00 C ATOM 42 OG SER A 5 24.459 -2.047 -7.870 1.00 0.00 O ATOM 0 H SER A 5 26.443 1.404 -8.163 1.00 0.00 H new ATOM 0 HA SER A 5 25.081 -0.683 -9.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.407 -0.483 -6.917 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.719 -0.209 -7.299 1.00 0.00 H new ATOM 0 HG SER A 5 24.201 -2.463 -7.021 1.00 0.00 H new ATOM 48 N SER A 6 23.937 2.138 -8.465 1.00 0.00 N ATOM 49 CA SER A 6 23.007 3.233 -8.679 1.00 0.00 C ATOM 50 C SER A 6 21.569 2.711 -8.650 1.00 0.00 C ATOM 51 O SER A 6 21.245 1.734 -9.324 1.00 0.00 O ATOM 52 CB SER A 6 23.286 3.942 -10.006 1.00 0.00 C ATOM 53 OG SER A 6 22.923 5.319 -9.962 1.00 0.00 O ATOM 0 H SER A 6 24.493 2.212 -7.613 1.00 0.00 H new ATOM 0 HA SER A 6 23.141 3.957 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.345 3.854 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 6 22.734 3.447 -10.805 1.00 0.00 H new ATOM 0 HG SER A 6 23.118 5.737 -10.827 1.00 0.00 H new ATOM 59 N GLY A 7 20.745 3.384 -7.861 1.00 0.00 N ATOM 60 CA GLY A 7 19.349 3.000 -7.734 1.00 0.00 C ATOM 61 C GLY A 7 18.432 4.047 -8.372 1.00 0.00 C ATOM 62 O GLY A 7 17.623 4.669 -7.686 1.00 0.00 O ATOM 0 H GLY A 7 21.017 4.193 -7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.189 2.033 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.095 2.882 -6.681 1.00 0.00 H new ATOM 66 N MET A 8 18.590 4.208 -9.677 1.00 0.00 N ATOM 67 CA MET A 8 17.787 5.168 -10.415 1.00 0.00 C ATOM 68 C MET A 8 17.601 4.726 -11.868 1.00 0.00 C ATOM 69 O MET A 8 18.371 5.118 -12.744 1.00 0.00 O ATOM 70 CB MET A 8 18.469 6.537 -10.381 1.00 0.00 C ATOM 71 CG MET A 8 17.436 7.665 -10.428 1.00 0.00 C ATOM 72 SD MET A 8 17.477 8.594 -8.904 1.00 0.00 S ATOM 73 CE MET A 8 16.030 7.929 -8.097 1.00 0.00 C ATOM 0 H MET A 8 19.262 3.690 -10.243 1.00 0.00 H new ATOM 0 HA MET A 8 16.805 5.229 -9.945 1.00 0.00 H new ATOM 0 HB2 MET A 8 19.069 6.626 -9.475 1.00 0.00 H new ATOM 0 HB3 MET A 8 19.151 6.628 -11.226 1.00 0.00 H new ATOM 0 HG2 MET A 8 17.643 8.324 -11.271 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.440 7.251 -10.584 1.00 0.00 H new ATOM 0 HE1 MET A 8 15.906 8.404 -7.124 1.00 0.00 H new ATOM 0 HE2 MET A 8 15.150 8.123 -8.710 1.00 0.00 H new ATOM 0 HE3 MET A 8 16.150 6.854 -7.964 1.00 0.00 H new ATOM 83 N SER A 9 16.575 3.915 -12.080 1.00 0.00 N ATOM 84 CA SER A 9 16.279 3.415 -13.412 1.00 0.00 C ATOM 85 C SER A 9 15.022 2.543 -13.375 1.00 0.00 C ATOM 86 O SER A 9 14.992 1.519 -12.694 1.00 0.00 O ATOM 87 CB SER A 9 17.459 2.623 -13.978 1.00 0.00 C ATOM 88 OG SER A 9 17.889 1.596 -13.088 1.00 0.00 O ATOM 0 H SER A 9 15.938 3.592 -11.352 1.00 0.00 H new ATOM 0 HA SER A 9 16.103 4.268 -14.067 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.174 2.180 -14.932 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.289 3.301 -14.177 1.00 0.00 H new ATOM 0 HG SER A 9 17.107 1.172 -12.676 1.00 0.00 H new ATOM 94 N VAL A 10 14.015 2.980 -14.117 1.00 0.00 N ATOM 95 CA VAL A 10 12.759 2.252 -14.178 1.00 0.00 C ATOM 96 C VAL A 10 13.005 0.871 -14.789 1.00 0.00 C ATOM 97 O VAL A 10 13.387 0.762 -15.953 1.00 0.00 O ATOM 98 CB VAL A 10 11.718 3.069 -14.946 1.00 0.00 C ATOM 99 CG1 VAL A 10 12.105 3.204 -16.420 1.00 0.00 C ATOM 100 CG2 VAL A 10 10.324 2.457 -14.799 1.00 0.00 C ATOM 0 H VAL A 10 14.043 3.829 -14.681 1.00 0.00 H new ATOM 0 HA VAL A 10 12.357 2.098 -13.177 1.00 0.00 H new ATOM 0 HB VAL A 10 11.692 4.069 -14.514 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.348 3.789 -16.943 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.070 3.705 -16.498 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.173 2.214 -16.870 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.603 3.057 -15.354 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.330 1.440 -15.192 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.045 2.437 -13.746 1.00 0.00 H new ATOM 110 N ASN A 11 12.775 -0.149 -13.976 1.00 0.00 N ATOM 111 CA ASN A 11 12.966 -1.519 -14.422 1.00 0.00 C ATOM 112 C ASN A 11 12.172 -2.462 -13.515 1.00 0.00 C ATOM 113 O ASN A 11 11.339 -3.231 -13.991 1.00 0.00 O ATOM 114 CB ASN A 11 14.440 -1.922 -14.348 1.00 0.00 C ATOM 115 CG ASN A 11 14.632 -3.381 -14.764 1.00 0.00 C ATOM 116 OD1 ASN A 11 14.046 -3.863 -15.719 1.00 0.00 O ATOM 117 ND2 ASN A 11 15.482 -4.056 -13.996 1.00 0.00 N ATOM 0 H ASN A 11 12.458 -0.055 -13.011 1.00 0.00 H new ATOM 0 HA ASN A 11 12.625 -1.588 -15.455 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.030 -1.275 -14.997 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.809 -1.778 -13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 11 15.677 -5.038 -14.192 1.00 0.00 H new ATOM 0 HD22 ASN A 11 15.939 -3.592 -13.211 1.00 0.00 H new ATOM 124 N MET A 12 12.459 -2.371 -12.225 1.00 0.00 N ATOM 125 CA MET A 12 11.782 -3.206 -11.247 1.00 0.00 C ATOM 126 C MET A 12 10.466 -2.568 -10.799 1.00 0.00 C ATOM 127 O MET A 12 10.393 -1.981 -9.720 1.00 0.00 O ATOM 128 CB MET A 12 12.691 -3.410 -10.033 1.00 0.00 C ATOM 129 CG MET A 12 13.302 -4.813 -10.035 1.00 0.00 C ATOM 130 SD MET A 12 13.521 -5.384 -8.358 1.00 0.00 S ATOM 131 CE MET A 12 15.304 -5.437 -8.280 1.00 0.00 C ATOM 0 H MET A 12 13.151 -1.732 -11.834 1.00 0.00 H new ATOM 0 HA MET A 12 11.559 -4.167 -11.710 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.485 -2.664 -10.039 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.120 -3.260 -9.117 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.655 -5.500 -10.580 1.00 0.00 H new ATOM 0 HG3 MET A 12 14.261 -4.800 -10.552 1.00 0.00 H new ATOM 0 HE1 MET A 12 15.615 -5.776 -7.292 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.681 -6.126 -9.036 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.706 -4.441 -8.465 1.00 0.00 H new ATOM 141 N ASP A 13 9.459 -2.705 -11.649 1.00 0.00 N ATOM 142 CA ASP A 13 8.149 -2.149 -11.353 1.00 0.00 C ATOM 143 C ASP A 13 7.294 -3.212 -10.660 1.00 0.00 C ATOM 144 O ASP A 13 6.798 -2.991 -9.556 1.00 0.00 O ATOM 145 CB ASP A 13 7.429 -1.725 -12.635 1.00 0.00 C ATOM 146 CG ASP A 13 6.388 -0.619 -12.455 1.00 0.00 C ATOM 147 OD1 ASP A 13 5.934 -0.448 -11.303 1.00 0.00 O ATOM 148 OD2 ASP A 13 6.068 0.031 -13.474 1.00 0.00 O ATOM 0 H ASP A 13 9.523 -3.193 -12.543 1.00 0.00 H new ATOM 0 HA ASP A 13 8.288 -1.278 -10.712 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.173 -1.389 -13.358 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.939 -2.599 -13.065 1.00 0.00 H new ATOM 153 N GLU A 14 7.148 -4.342 -11.336 1.00 0.00 N ATOM 154 CA GLU A 14 6.362 -5.439 -10.798 1.00 0.00 C ATOM 155 C GLU A 14 7.039 -6.018 -9.554 1.00 0.00 C ATOM 156 O GLU A 14 6.426 -6.097 -8.490 1.00 0.00 O ATOM 157 CB GLU A 14 6.138 -6.522 -11.855 1.00 0.00 C ATOM 158 CG GLU A 14 4.670 -6.576 -12.283 1.00 0.00 C ATOM 159 CD GLU A 14 4.337 -7.922 -12.931 1.00 0.00 C ATOM 160 OE1 GLU A 14 4.800 -8.132 -14.072 1.00 0.00 O ATOM 161 OE2 GLU A 14 3.626 -8.710 -12.269 1.00 0.00 O ATOM 0 H GLU A 14 7.561 -4.522 -12.251 1.00 0.00 H new ATOM 0 HA GLU A 14 5.385 -5.052 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 14 6.766 -6.323 -12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.440 -7.491 -11.458 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.029 -6.417 -11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 14 4.462 -5.769 -12.985 1.00 0.00 H new ATOM 168 N LEU A 15 8.292 -6.408 -9.730 1.00 0.00 N ATOM 169 CA LEU A 15 9.059 -6.978 -8.634 1.00 0.00 C ATOM 170 C LEU A 15 8.763 -6.199 -7.351 1.00 0.00 C ATOM 171 O LEU A 15 8.306 -6.773 -6.364 1.00 0.00 O ATOM 172 CB LEU A 15 10.546 -7.031 -8.992 1.00 0.00 C ATOM 173 CG LEU A 15 11.159 -8.428 -9.103 1.00 0.00 C ATOM 174 CD1 LEU A 15 10.466 -9.246 -10.195 1.00 0.00 C ATOM 175 CD2 LEU A 15 12.671 -8.348 -9.320 1.00 0.00 C ATOM 0 H LEU A 15 8.796 -6.341 -10.614 1.00 0.00 H new ATOM 0 HA LEU A 15 8.760 -8.011 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.689 -6.516 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.101 -6.471 -8.239 1.00 0.00 H new ATOM 0 HG LEU A 15 10.996 -8.948 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.921 -10.235 -10.253 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.407 -9.347 -9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.576 -8.739 -11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 15 13.082 -9.355 -9.395 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.878 -7.802 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.132 -7.830 -8.479 1.00 0.00 H new ATOM 187 N ARG A 16 9.035 -4.903 -7.407 1.00 0.00 N ATOM 188 CA ARG A 16 8.803 -4.040 -6.261 1.00 0.00 C ATOM 189 C ARG A 16 7.453 -4.363 -5.618 1.00 0.00 C ATOM 190 O ARG A 16 7.389 -4.699 -4.436 1.00 0.00 O ATOM 191 CB ARG A 16 8.826 -2.566 -6.669 1.00 0.00 C ATOM 192 CG ARG A 16 9.064 -1.665 -5.456 1.00 0.00 C ATOM 193 CD ARG A 16 7.758 -1.405 -4.701 1.00 0.00 C ATOM 194 NE ARG A 16 7.606 0.043 -4.437 1.00 0.00 N ATOM 195 CZ ARG A 16 7.084 0.915 -5.311 1.00 0.00 C ATOM 196 NH1 ARG A 16 6.662 0.491 -6.510 1.00 0.00 N ATOM 197 NH2 ARG A 16 6.984 2.211 -4.985 1.00 0.00 N ATOM 0 H ARG A 16 9.414 -4.430 -8.228 1.00 0.00 H new ATOM 0 HA ARG A 16 9.603 -4.219 -5.543 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.610 -2.402 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.881 -2.301 -7.143 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.788 -2.132 -4.788 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.495 -0.718 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.912 -1.767 -5.285 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.756 -1.957 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 16 7.918 0.400 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.738 -0.496 -6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.265 1.155 -7.175 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.305 2.533 -4.072 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.587 2.875 -5.650 1.00 0.00 H new ATOM 211 N HIS A 17 6.407 -4.250 -6.423 1.00 0.00 N ATOM 212 CA HIS A 17 5.063 -4.526 -5.947 1.00 0.00 C ATOM 213 C HIS A 17 5.051 -5.852 -5.184 1.00 0.00 C ATOM 214 O HIS A 17 4.778 -5.880 -3.985 1.00 0.00 O ATOM 215 CB HIS A 17 4.061 -4.498 -7.103 1.00 0.00 C ATOM 216 CG HIS A 17 2.968 -5.535 -6.994 1.00 0.00 C ATOM 217 ND1 HIS A 17 2.399 -6.143 -8.099 1.00 0.00 N ATOM 218 CD2 HIS A 17 2.348 -6.065 -5.900 1.00 0.00 C ATOM 219 CE1 HIS A 17 1.478 -6.998 -7.678 1.00 0.00 C ATOM 220 NE2 HIS A 17 1.448 -6.947 -6.315 1.00 0.00 N ATOM 0 H HIS A 17 6.463 -3.971 -7.402 1.00 0.00 H new ATOM 0 HA HIS A 17 4.751 -3.745 -5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.606 -3.509 -7.152 1.00 0.00 H new ATOM 0 HB3 HIS A 17 4.598 -4.648 -8.040 1.00 0.00 H new ATOM 0 HD1 HIS A 17 2.646 -5.964 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.555 -5.810 -4.871 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.860 -7.625 -8.304 1.00 0.00 H new ATOM 228 N GLN A 18 5.350 -6.919 -5.910 1.00 0.00 N ATOM 229 CA GLN A 18 5.377 -8.245 -5.316 1.00 0.00 C ATOM 230 C GLN A 18 6.105 -8.210 -3.971 1.00 0.00 C ATOM 231 O GLN A 18 5.549 -8.610 -2.950 1.00 0.00 O ATOM 232 CB GLN A 18 6.024 -9.257 -6.264 1.00 0.00 C ATOM 233 CG GLN A 18 5.055 -10.393 -6.598 1.00 0.00 C ATOM 234 CD GLN A 18 5.096 -11.483 -5.526 1.00 0.00 C ATOM 235 OE1 GLN A 18 5.637 -11.307 -4.446 1.00 0.00 O ATOM 236 NE2 GLN A 18 4.497 -12.615 -5.882 1.00 0.00 N ATOM 0 H GLN A 18 5.576 -6.892 -6.904 1.00 0.00 H new ATOM 0 HA GLN A 18 4.350 -8.565 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.332 -8.756 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.925 -9.665 -5.806 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.042 -9.999 -6.682 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.312 -10.821 -7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.064 -12.695 -6.802 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.471 -13.403 -5.235 1.00 0.00 H new ATOM 245 N VAL A 19 7.338 -7.726 -4.015 1.00 0.00 N ATOM 246 CA VAL A 19 8.148 -7.633 -2.812 1.00 0.00 C ATOM 247 C VAL A 19 7.357 -6.904 -1.724 1.00 0.00 C ATOM 248 O VAL A 19 7.241 -7.394 -0.602 1.00 0.00 O ATOM 249 CB VAL A 19 9.484 -6.960 -3.132 1.00 0.00 C ATOM 250 CG1 VAL A 19 10.294 -6.715 -1.857 1.00 0.00 C ATOM 251 CG2 VAL A 19 10.286 -7.785 -4.141 1.00 0.00 C ATOM 0 H VAL A 19 7.795 -7.394 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 19 8.383 -8.627 -2.432 1.00 0.00 H new ATOM 0 HB VAL A 19 9.271 -5.992 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.239 -6.236 -2.113 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.729 -6.068 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.492 -7.666 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.231 -7.284 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.483 -8.774 -3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.715 -7.885 -5.064 1.00 0.00 H new ATOM 261 N MET A 20 6.833 -5.745 -2.095 1.00 0.00 N ATOM 262 CA MET A 20 6.056 -4.944 -1.165 1.00 0.00 C ATOM 263 C MET A 20 4.978 -5.788 -0.481 1.00 0.00 C ATOM 264 O MET A 20 5.034 -6.012 0.727 1.00 0.00 O ATOM 265 CB MET A 20 5.397 -3.785 -1.916 1.00 0.00 C ATOM 266 CG MET A 20 6.167 -2.481 -1.698 1.00 0.00 C ATOM 267 SD MET A 20 5.468 -1.183 -2.704 1.00 0.00 S ATOM 268 CE MET A 20 3.731 -1.453 -2.395 1.00 0.00 C ATOM 0 H MET A 20 6.931 -5.342 -3.027 1.00 0.00 H new ATOM 0 HA MET A 20 6.728 -4.557 -0.399 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.356 -4.014 -2.981 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.368 -3.665 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.128 -2.198 -0.646 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.218 -2.623 -1.951 1.00 0.00 H new ATOM 0 HE1 MET A 20 3.175 -0.544 -2.624 1.00 0.00 H new ATOM 0 HE2 MET A 20 3.371 -2.266 -3.025 1.00 0.00 H new ATOM 0 HE3 MET A 20 3.584 -1.714 -1.347 1.00 0.00 H new ATOM 278 N ILE A 21 4.023 -6.233 -1.284 1.00 0.00 N ATOM 279 CA ILE A 21 2.934 -7.048 -0.771 1.00 0.00 C ATOM 280 C ILE A 21 3.484 -8.039 0.256 1.00 0.00 C ATOM 281 O ILE A 21 3.028 -8.072 1.398 1.00 0.00 O ATOM 282 CB ILE A 21 2.175 -7.712 -1.921 1.00 0.00 C ATOM 283 CG1 ILE A 21 1.240 -6.715 -2.609 1.00 0.00 C ATOM 284 CG2 ILE A 21 1.429 -8.958 -1.439 1.00 0.00 C ATOM 285 CD1 ILE A 21 0.498 -7.374 -3.774 1.00 0.00 C ATOM 0 H ILE A 21 3.980 -6.045 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 21 2.203 -6.426 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 21 2.901 -8.039 -2.665 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.521 -6.328 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.815 -5.864 -2.974 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.898 -9.411 -2.276 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.142 -9.674 -1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.715 -8.678 -0.665 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.160 -6.644 -4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.219 -7.738 -4.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.095 -8.209 -3.402 1.00 0.00 H new ATOM 297 N ASN A 22 4.457 -8.822 -0.186 1.00 0.00 N ATOM 298 CA ASN A 22 5.074 -9.811 0.680 1.00 0.00 C ATOM 299 C ASN A 22 5.518 -9.138 1.981 1.00 0.00 C ATOM 300 O ASN A 22 5.144 -9.574 3.068 1.00 0.00 O ATOM 301 CB ASN A 22 6.310 -10.426 0.021 1.00 0.00 C ATOM 302 CG ASN A 22 6.667 -11.766 0.668 1.00 0.00 C ATOM 303 OD1 ASN A 22 6.586 -11.945 1.872 1.00 0.00 O ATOM 304 ND2 ASN A 22 7.065 -12.695 -0.197 1.00 0.00 N ATOM 0 H ASN A 22 4.833 -8.791 -1.134 1.00 0.00 H new ATOM 0 HA ASN A 22 4.341 -10.594 0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.125 -10.570 -1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.152 -9.740 0.108 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.325 -13.624 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.110 -12.479 -1.193 1.00 0.00 H new ATOM 311 N GLN A 23 6.308 -8.086 1.826 1.00 0.00 N ATOM 312 CA GLN A 23 6.807 -7.349 2.974 1.00 0.00 C ATOM 313 C GLN A 23 5.656 -7.002 3.921 1.00 0.00 C ATOM 314 O GLN A 23 5.590 -7.515 5.037 1.00 0.00 O ATOM 315 CB GLN A 23 7.554 -6.088 2.534 1.00 0.00 C ATOM 316 CG GLN A 23 9.061 -6.241 2.749 1.00 0.00 C ATOM 317 CD GLN A 23 9.695 -7.060 1.623 1.00 0.00 C ATOM 318 OE1 GLN A 23 9.269 -8.158 1.302 1.00 0.00 O ATOM 319 NE2 GLN A 23 10.734 -6.468 1.042 1.00 0.00 N ATOM 0 H GLN A 23 6.615 -7.726 0.922 1.00 0.00 H new ATOM 0 HA GLN A 23 7.515 -7.982 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.351 -5.889 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 23 7.188 -5.229 3.097 1.00 0.00 H new ATOM 0 HG2 GLN A 23 9.527 -5.257 2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.248 -6.727 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.040 -5.548 1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.226 -6.934 0.279 1.00 0.00 H new ATOM 328 N PHE A 24 4.779 -6.132 3.442 1.00 0.00 N ATOM 329 CA PHE A 24 3.635 -5.711 4.232 1.00 0.00 C ATOM 330 C PHE A 24 3.000 -6.900 4.956 1.00 0.00 C ATOM 331 O PHE A 24 2.764 -6.843 6.162 1.00 0.00 O ATOM 332 CB PHE A 24 2.614 -5.116 3.260 1.00 0.00 C ATOM 333 CG PHE A 24 1.404 -4.476 3.943 1.00 0.00 C ATOM 334 CD1 PHE A 24 0.509 -5.253 4.609 1.00 0.00 C ATOM 335 CD2 PHE A 24 1.224 -3.129 3.884 1.00 0.00 C ATOM 336 CE1 PHE A 24 -0.614 -4.659 5.243 1.00 0.00 C ATOM 337 CE2 PHE A 24 0.101 -2.535 4.517 1.00 0.00 C ATOM 338 CZ PHE A 24 -0.795 -3.312 5.184 1.00 0.00 C ATOM 0 H PHE A 24 4.838 -5.707 2.517 1.00 0.00 H new ATOM 0 HA PHE A 24 3.949 -4.988 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.109 -4.366 2.643 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.266 -5.901 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.652 -6.322 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.935 -2.512 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.325 -5.277 5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.042 -1.466 4.469 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.649 -2.860 5.666 1.00 0.00 H new ATOM 348 N VAL A 25 2.742 -7.949 4.189 1.00 0.00 N ATOM 349 CA VAL A 25 2.139 -9.150 4.742 1.00 0.00 C ATOM 350 C VAL A 25 3.025 -9.689 5.866 1.00 0.00 C ATOM 351 O VAL A 25 2.522 -10.178 6.877 1.00 0.00 O ATOM 352 CB VAL A 25 1.895 -10.172 3.630 1.00 0.00 C ATOM 353 CG1 VAL A 25 1.287 -11.459 4.192 1.00 0.00 C ATOM 354 CG2 VAL A 25 1.012 -9.584 2.528 1.00 0.00 C ATOM 0 H VAL A 25 2.939 -7.992 3.189 1.00 0.00 H new ATOM 0 HA VAL A 25 1.165 -8.924 5.176 1.00 0.00 H new ATOM 0 HB VAL A 25 2.859 -10.422 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.124 -12.169 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.968 -11.894 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.335 -11.232 4.673 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.854 -10.331 1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.051 -9.291 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.501 -8.710 2.098 1.00 0.00 H new ATOM 364 N LEU A 26 4.328 -9.580 5.653 1.00 0.00 N ATOM 365 CA LEU A 26 5.289 -10.051 6.636 1.00 0.00 C ATOM 366 C LEU A 26 5.307 -9.089 7.826 1.00 0.00 C ATOM 367 O LEU A 26 5.153 -9.511 8.972 1.00 0.00 O ATOM 368 CB LEU A 26 6.660 -10.255 5.990 1.00 0.00 C ATOM 369 CG LEU A 26 6.951 -11.662 5.463 1.00 0.00 C ATOM 370 CD1 LEU A 26 8.186 -11.666 4.561 1.00 0.00 C ATOM 371 CD2 LEU A 26 7.078 -12.663 6.614 1.00 0.00 C ATOM 0 H LEU A 26 4.741 -9.172 4.814 1.00 0.00 H new ATOM 0 HA LEU A 26 4.995 -11.028 7.019 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.758 -9.551 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.426 -9.997 6.721 1.00 0.00 H new ATOM 0 HG LEU A 26 6.106 -11.979 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.370 -12.678 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.019 -11.003 3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.051 -11.320 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.285 -13.655 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.893 -12.360 7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.146 -12.687 7.179 1.00 0.00 H new ATOM 383 N ALA A 27 5.496 -7.816 7.514 1.00 0.00 N ATOM 384 CA ALA A 27 5.537 -6.791 8.543 1.00 0.00 C ATOM 385 C ALA A 27 4.407 -7.036 9.546 1.00 0.00 C ATOM 386 O ALA A 27 4.656 -7.211 10.737 1.00 0.00 O ATOM 387 CB ALA A 27 5.448 -5.409 7.892 1.00 0.00 C ATOM 0 H ALA A 27 5.623 -7.470 6.563 1.00 0.00 H new ATOM 0 HA ALA A 27 6.479 -6.834 9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.479 -4.640 8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.288 -5.273 7.211 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.514 -5.328 7.336 1.00 0.00 H new ATOM 393 N ALA A 28 3.188 -7.042 9.026 1.00 0.00 N ATOM 394 CA ALA A 28 2.019 -7.263 9.860 1.00 0.00 C ATOM 395 C ALA A 28 1.896 -8.755 10.172 1.00 0.00 C ATOM 396 O ALA A 28 2.117 -9.176 11.307 1.00 0.00 O ATOM 397 CB ALA A 28 0.778 -6.709 9.157 1.00 0.00 C ATOM 0 H ALA A 28 2.985 -6.897 8.037 1.00 0.00 H new ATOM 0 HA ALA A 28 2.118 -6.735 10.809 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.099 -6.875 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.904 -5.640 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.644 -7.217 8.202 1.00 0.00 H new ATOM 403 N GLY A 29 1.544 -9.515 9.146 1.00 0.00 N ATOM 404 CA GLY A 29 1.388 -10.952 9.296 1.00 0.00 C ATOM 405 C GLY A 29 -0.042 -11.386 8.970 1.00 0.00 C ATOM 406 O GLY A 29 -0.598 -12.257 9.637 1.00 0.00 O ATOM 0 H GLY A 29 1.362 -9.163 8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.087 -11.468 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.637 -11.244 10.316 1.00 0.00 H new ATOM 410 N CYS A 30 -0.598 -10.758 7.944 1.00 0.00 N ATOM 411 CA CYS A 30 -1.953 -11.068 7.522 1.00 0.00 C ATOM 412 C CYS A 30 -1.883 -11.777 6.168 1.00 0.00 C ATOM 413 O CYS A 30 -0.799 -12.109 5.692 1.00 0.00 O ATOM 414 CB CYS A 30 -2.829 -9.815 7.465 1.00 0.00 C ATOM 415 SG CYS A 30 -3.874 -9.713 8.964 1.00 0.00 S ATOM 0 H CYS A 30 -0.134 -10.036 7.393 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.423 -11.726 8.253 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.202 -8.926 7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.457 -9.841 6.575 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.816 -8.510 9.452 1.00 0.00 H new ATOM 421 N ALA A 31 -3.054 -11.988 5.585 1.00 0.00 N ATOM 422 CA ALA A 31 -3.140 -12.652 4.295 1.00 0.00 C ATOM 423 C ALA A 31 -2.254 -11.916 3.288 1.00 0.00 C ATOM 424 O ALA A 31 -1.833 -10.787 3.535 1.00 0.00 O ATOM 425 CB ALA A 31 -4.602 -12.714 3.849 1.00 0.00 C ATOM 0 H ALA A 31 -3.952 -11.711 5.982 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.777 -13.677 4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.666 -13.212 2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.183 -13.272 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.000 -11.703 3.764 1.00 0.00 H new ATOM 431 N ALA A 32 -1.997 -12.586 2.174 1.00 0.00 N ATOM 432 CA ALA A 32 -1.169 -12.010 1.129 1.00 0.00 C ATOM 433 C ALA A 32 -2.033 -11.123 0.230 1.00 0.00 C ATOM 434 O ALA A 32 -1.743 -9.940 0.056 1.00 0.00 O ATOM 435 CB ALA A 32 -0.476 -13.130 0.350 1.00 0.00 C ATOM 0 H ALA A 32 -2.348 -13.522 1.973 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.389 -11.382 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.145 -12.697 -0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.148 -13.712 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.227 -13.779 -0.099 1.00 0.00 H new ATOM 441 N ASP A 33 -3.077 -11.729 -0.317 1.00 0.00 N ATOM 442 CA ASP A 33 -3.985 -11.009 -1.194 1.00 0.00 C ATOM 443 C ASP A 33 -4.358 -9.672 -0.548 1.00 0.00 C ATOM 444 O ASP A 33 -4.410 -8.646 -1.224 1.00 0.00 O ATOM 445 CB ASP A 33 -5.274 -11.800 -1.421 1.00 0.00 C ATOM 446 CG ASP A 33 -5.330 -12.582 -2.734 1.00 0.00 C ATOM 447 OD1 ASP A 33 -4.750 -12.078 -3.720 1.00 0.00 O ATOM 448 OD2 ASP A 33 -5.952 -13.667 -2.723 1.00 0.00 O ATOM 0 H ASP A 33 -3.314 -12.710 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.482 -10.857 -2.149 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.404 -12.498 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.117 -11.109 -1.391 1.00 0.00 H new ATOM 453 N GLN A 34 -4.607 -9.729 0.752 1.00 0.00 N ATOM 454 CA GLN A 34 -4.974 -8.536 1.496 1.00 0.00 C ATOM 455 C GLN A 34 -4.034 -7.381 1.143 1.00 0.00 C ATOM 456 O GLN A 34 -4.486 -6.311 0.735 1.00 0.00 O ATOM 457 CB GLN A 34 -4.969 -8.806 3.002 1.00 0.00 C ATOM 458 CG GLN A 34 -6.236 -9.550 3.429 1.00 0.00 C ATOM 459 CD GLN A 34 -7.487 -8.727 3.119 1.00 0.00 C ATOM 460 OE1 GLN A 34 -7.609 -7.571 3.490 1.00 0.00 O ATOM 461 NE2 GLN A 34 -8.408 -9.384 2.419 1.00 0.00 N ATOM 0 H GLN A 34 -4.562 -10.582 1.309 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.988 -8.253 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.091 -9.394 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.896 -7.863 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.290 -10.509 2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.193 -9.765 4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.243 -10.351 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.279 -8.921 2.161 1.00 0.00 H new ATOM 470 N ALA A 35 -2.745 -7.636 1.312 1.00 0.00 N ATOM 471 CA ALA A 35 -1.739 -6.630 1.017 1.00 0.00 C ATOM 472 C ALA A 35 -2.128 -5.886 -0.262 1.00 0.00 C ATOM 473 O ALA A 35 -2.300 -4.668 -0.247 1.00 0.00 O ATOM 474 CB ALA A 35 -0.366 -7.299 0.907 1.00 0.00 C ATOM 0 H ALA A 35 -2.374 -8.524 1.649 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.682 -5.896 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.389 -6.545 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.124 -7.790 1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.385 -8.039 0.107 1.00 0.00 H new ATOM 480 N LYS A 36 -2.255 -6.648 -1.338 1.00 0.00 N ATOM 481 CA LYS A 36 -2.620 -6.075 -2.622 1.00 0.00 C ATOM 482 C LYS A 36 -3.718 -5.030 -2.416 1.00 0.00 C ATOM 483 O LYS A 36 -3.477 -3.833 -2.567 1.00 0.00 O ATOM 484 CB LYS A 36 -3.000 -7.179 -3.612 1.00 0.00 C ATOM 485 CG LYS A 36 -2.890 -6.682 -5.055 1.00 0.00 C ATOM 486 CD LYS A 36 -3.383 -7.744 -6.040 1.00 0.00 C ATOM 487 CE LYS A 36 -3.512 -7.166 -7.450 1.00 0.00 C ATOM 488 NZ LYS A 36 -2.927 -8.093 -8.445 1.00 0.00 N ATOM 0 H LYS A 36 -2.112 -7.658 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.768 -5.559 -3.065 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.348 -8.041 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.018 -7.514 -3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.475 -5.770 -5.175 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.854 -6.427 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.690 -8.585 -6.050 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.348 -8.130 -5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.562 -6.989 -7.682 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.007 -6.201 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.023 -7.686 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.920 -8.241 -8.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.427 -9.004 -8.406 1.00 0.00 H new ATOM 502 N GLN A 37 -4.900 -5.520 -2.073 1.00 0.00 N ATOM 503 CA GLN A 37 -6.036 -4.643 -1.844 1.00 0.00 C ATOM 504 C GLN A 37 -5.617 -3.444 -0.989 1.00 0.00 C ATOM 505 O GLN A 37 -5.580 -2.315 -1.474 1.00 0.00 O ATOM 506 CB GLN A 37 -7.193 -5.403 -1.193 1.00 0.00 C ATOM 507 CG GLN A 37 -7.415 -6.754 -1.875 1.00 0.00 C ATOM 508 CD GLN A 37 -8.894 -6.966 -2.206 1.00 0.00 C ATOM 509 OE1 GLN A 37 -9.724 -6.087 -2.046 1.00 0.00 O ATOM 510 NE2 GLN A 37 -9.175 -8.179 -2.673 1.00 0.00 N ATOM 0 H GLN A 37 -5.096 -6.513 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.385 -4.273 -2.808 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.982 -5.556 -0.135 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.104 -4.807 -1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.823 -6.805 -2.789 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.066 -7.556 -1.224 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.431 -8.868 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.134 -8.420 -2.922 1.00 0.00 H new ATOM 519 N LEU A 38 -5.313 -3.732 0.268 1.00 0.00 N ATOM 520 CA LEU A 38 -4.899 -2.692 1.194 1.00 0.00 C ATOM 521 C LEU A 38 -3.963 -1.718 0.475 1.00 0.00 C ATOM 522 O LEU A 38 -4.285 -0.541 0.323 1.00 0.00 O ATOM 523 CB LEU A 38 -4.293 -3.310 2.456 1.00 0.00 C ATOM 524 CG LEU A 38 -5.228 -3.429 3.661 1.00 0.00 C ATOM 525 CD1 LEU A 38 -6.460 -4.269 3.317 1.00 0.00 C ATOM 526 CD2 LEU A 38 -4.485 -3.974 4.881 1.00 0.00 C ATOM 0 H LEU A 38 -5.345 -4.670 0.667 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.761 -2.116 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.924 -4.305 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.429 -2.714 2.749 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.580 -2.431 3.920 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.109 -4.338 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.004 -3.799 2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.146 -5.269 3.018 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.173 -4.048 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.084 -4.961 4.652 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.667 -3.301 5.139 1.00 0.00 H new ATOM 538 N LEU A 39 -2.823 -2.246 0.053 1.00 0.00 N ATOM 539 CA LEU A 39 -1.838 -1.437 -0.645 1.00 0.00 C ATOM 540 C LEU A 39 -2.530 -0.647 -1.758 1.00 0.00 C ATOM 541 O LEU A 39 -2.601 0.579 -1.701 1.00 0.00 O ATOM 542 CB LEU A 39 -0.682 -2.309 -1.138 1.00 0.00 C ATOM 543 CG LEU A 39 0.448 -2.554 -0.136 1.00 0.00 C ATOM 544 CD1 LEU A 39 1.359 -3.691 -0.604 1.00 0.00 C ATOM 545 CD2 LEU A 39 1.230 -1.267 0.133 1.00 0.00 C ATOM 0 H LEU A 39 -2.560 -3.223 0.181 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.392 -0.710 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.086 -3.274 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.257 -1.845 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 39 0.005 -2.865 0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.154 -3.845 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.776 -4.607 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.797 -3.433 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.027 -1.469 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.662 -0.902 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.558 -0.512 0.541 1.00 0.00 H new ATOM 557 N GLN A 40 -3.022 -1.383 -2.744 1.00 0.00 N ATOM 558 CA GLN A 40 -3.706 -0.766 -3.868 1.00 0.00 C ATOM 559 C GLN A 40 -4.654 0.329 -3.377 1.00 0.00 C ATOM 560 O GLN A 40 -4.465 1.504 -3.687 1.00 0.00 O ATOM 561 CB GLN A 40 -4.457 -1.812 -4.694 1.00 0.00 C ATOM 562 CG GLN A 40 -4.197 -1.621 -6.189 1.00 0.00 C ATOM 563 CD GLN A 40 -5.368 -2.146 -7.022 1.00 0.00 C ATOM 564 OE1 GLN A 40 -5.723 -3.313 -6.975 1.00 0.00 O ATOM 565 NE2 GLN A 40 -5.948 -1.223 -7.784 1.00 0.00 N ATOM 0 H GLN A 40 -2.961 -2.400 -2.788 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.958 -0.308 -4.516 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.145 -2.812 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.526 -1.738 -4.495 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.040 -0.564 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.283 -2.142 -6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.601 -0.264 -7.776 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.740 -1.474 -8.376 1.00 0.00 H new ATOM 574 N ALA A 41 -5.654 -0.095 -2.618 1.00 0.00 N ATOM 575 CA ALA A 41 -6.632 0.835 -2.080 1.00 0.00 C ATOM 576 C ALA A 41 -5.906 1.962 -1.342 1.00 0.00 C ATOM 577 O ALA A 41 -6.450 3.054 -1.181 1.00 0.00 O ATOM 578 CB ALA A 41 -7.610 0.082 -1.176 1.00 0.00 C ATOM 0 H ALA A 41 -5.808 -1.071 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.213 1.288 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.344 0.780 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.121 -0.688 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.063 -0.384 -0.356 1.00 0.00 H new ATOM 584 N ALA A 42 -4.690 1.659 -0.915 1.00 0.00 N ATOM 585 CA ALA A 42 -3.884 2.633 -0.198 1.00 0.00 C ATOM 586 C ALA A 42 -2.888 3.275 -1.165 1.00 0.00 C ATOM 587 O ALA A 42 -1.818 3.723 -0.755 1.00 0.00 O ATOM 588 CB ALA A 42 -3.192 1.952 0.984 1.00 0.00 C ATOM 0 H ALA A 42 -4.242 0.753 -1.051 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.511 3.428 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.587 2.682 1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.943 1.538 1.656 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.551 1.150 0.618 1.00 0.00 H new ATOM 594 N HIS A 43 -3.275 3.301 -2.432 1.00 0.00 N ATOM 595 CA HIS A 43 -2.430 3.882 -3.461 1.00 0.00 C ATOM 596 C HIS A 43 -1.034 3.260 -3.390 1.00 0.00 C ATOM 597 O HIS A 43 -0.066 3.840 -3.880 1.00 0.00 O ATOM 598 CB HIS A 43 -2.406 5.408 -3.348 1.00 0.00 C ATOM 599 CG HIS A 43 -3.720 6.012 -2.914 1.00 0.00 C ATOM 600 ND1 HIS A 43 -3.799 7.120 -2.089 1.00 0.00 N ATOM 601 CD2 HIS A 43 -5.004 5.652 -3.200 1.00 0.00 C ATOM 602 CE1 HIS A 43 -5.078 7.405 -1.893 1.00 0.00 C ATOM 603 NE2 HIS A 43 -5.823 6.494 -2.582 1.00 0.00 N ATOM 0 H HIS A 43 -4.163 2.929 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.841 3.656 -4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.632 5.697 -2.637 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -2.125 5.829 -4.313 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.304 4.823 -3.824 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.463 8.216 -1.293 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -6.842 6.465 -2.617 1.00 0.00 H new ATOM 611 N TRP A 44 -0.974 2.087 -2.776 1.00 0.00 N ATOM 612 CA TRP A 44 0.287 1.381 -2.634 1.00 0.00 C ATOM 613 C TRP A 44 1.158 2.160 -1.647 1.00 0.00 C ATOM 614 O TRP A 44 2.381 2.179 -1.773 1.00 0.00 O ATOM 615 CB TRP A 44 0.959 1.179 -3.994 1.00 0.00 C ATOM 616 CG TRP A 44 0.113 0.389 -4.995 1.00 0.00 C ATOM 617 CD1 TRP A 44 -0.881 0.840 -5.772 1.00 0.00 C ATOM 618 CD2 TRP A 44 0.229 -1.017 -5.297 1.00 0.00 C ATOM 619 NE1 TRP A 44 -1.412 -0.169 -6.549 1.00 0.00 N ATOM 620 CE2 TRP A 44 -0.716 -1.334 -6.251 1.00 0.00 C ATOM 621 CE3 TRP A 44 1.104 -1.990 -4.781 1.00 0.00 C ATOM 622 CZ2 TRP A 44 -0.877 -2.624 -6.772 1.00 0.00 C ATOM 623 CZ3 TRP A 44 0.930 -3.274 -5.311 1.00 0.00 C ATOM 624 CH2 TRP A 44 -0.017 -3.609 -6.272 1.00 0.00 C ATOM 0 H TRP A 44 -1.779 1.608 -2.371 1.00 0.00 H new ATOM 0 HA TRP A 44 0.124 0.379 -2.238 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.192 2.154 -4.421 1.00 0.00 H new ATOM 0 HB3 TRP A 44 1.907 0.661 -3.846 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.223 1.864 -5.788 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.175 -0.077 -7.219 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.851 -1.764 -4.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.624 -2.847 -7.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.577 -4.059 -4.948 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.089 -4.625 -6.631 1.00 0.00 H new ATOM 635 N GLN A 45 0.493 2.786 -0.687 1.00 0.00 N ATOM 636 CA GLN A 45 1.191 3.565 0.322 1.00 0.00 C ATOM 637 C GLN A 45 1.488 2.701 1.549 1.00 0.00 C ATOM 638 O GLN A 45 0.835 2.839 2.582 1.00 0.00 O ATOM 639 CB GLN A 45 0.387 4.808 0.707 1.00 0.00 C ATOM 640 CG GLN A 45 0.230 5.752 -0.486 1.00 0.00 C ATOM 641 CD GLN A 45 -0.952 6.703 -0.282 1.00 0.00 C ATOM 642 OE1 GLN A 45 -0.830 7.913 -0.373 1.00 0.00 O ATOM 643 NE2 GLN A 45 -2.098 6.089 -0.001 1.00 0.00 N ATOM 0 H GLN A 45 -0.522 2.770 -0.586 1.00 0.00 H new ATOM 0 HA GLN A 45 2.139 3.902 -0.098 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.596 4.511 1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.886 5.329 1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 45 1.145 6.328 -0.621 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.081 5.171 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.130 5.071 0.060 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.945 6.636 0.153 1.00 0.00 H new ATOM 652 N PHE A 46 2.474 1.830 1.395 1.00 0.00 N ATOM 653 CA PHE A 46 2.865 0.943 2.478 1.00 0.00 C ATOM 654 C PHE A 46 2.721 1.638 3.834 1.00 0.00 C ATOM 655 O PHE A 46 1.957 1.189 4.687 1.00 0.00 O ATOM 656 CB PHE A 46 4.336 0.587 2.255 1.00 0.00 C ATOM 657 CG PHE A 46 4.762 -0.733 2.902 1.00 0.00 C ATOM 658 CD1 PHE A 46 4.409 -1.004 4.187 1.00 0.00 C ATOM 659 CD2 PHE A 46 5.492 -1.634 2.192 1.00 0.00 C ATOM 660 CE1 PHE A 46 4.804 -2.229 4.788 1.00 0.00 C ATOM 661 CE2 PHE A 46 5.887 -2.858 2.793 1.00 0.00 C ATOM 662 CZ PHE A 46 5.535 -3.130 4.078 1.00 0.00 C ATOM 0 H PHE A 46 3.014 1.719 0.537 1.00 0.00 H new ATOM 0 HA PHE A 46 2.228 0.058 2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.528 0.533 1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.958 1.391 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.829 -0.288 4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.771 -1.419 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.524 -2.445 5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.467 -3.573 2.229 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.836 -4.061 4.535 1.00 0.00 H new ATOM 672 N GLU A 47 3.467 2.721 3.990 1.00 0.00 N ATOM 673 CA GLU A 47 3.432 3.482 5.228 1.00 0.00 C ATOM 674 C GLU A 47 1.993 3.615 5.729 1.00 0.00 C ATOM 675 O GLU A 47 1.643 3.070 6.775 1.00 0.00 O ATOM 676 CB GLU A 47 4.078 4.857 5.044 1.00 0.00 C ATOM 677 CG GLU A 47 5.573 4.808 5.367 1.00 0.00 C ATOM 678 CD GLU A 47 6.245 6.147 5.055 1.00 0.00 C ATOM 679 OE1 GLU A 47 6.130 7.052 5.910 1.00 0.00 O ATOM 680 OE2 GLU A 47 6.859 6.234 3.970 1.00 0.00 O ATOM 0 H GLU A 47 4.100 3.090 3.280 1.00 0.00 H new ATOM 0 HA GLU A 47 4.009 2.943 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.935 5.196 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.586 5.583 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.714 4.563 6.420 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.048 4.015 4.789 1.00 0.00 H new ATOM 687 N THR A 48 1.197 4.342 4.958 1.00 0.00 N ATOM 688 CA THR A 48 -0.197 4.553 5.311 1.00 0.00 C ATOM 689 C THR A 48 -0.927 3.213 5.427 1.00 0.00 C ATOM 690 O THR A 48 -1.481 2.893 6.478 1.00 0.00 O ATOM 691 CB THR A 48 -0.811 5.491 4.270 1.00 0.00 C ATOM 692 OG1 THR A 48 -0.226 6.758 4.556 1.00 0.00 O ATOM 693 CG2 THR A 48 -2.309 5.713 4.493 1.00 0.00 C ATOM 0 H THR A 48 1.491 4.792 4.091 1.00 0.00 H new ATOM 0 HA THR A 48 -0.290 5.024 6.290 1.00 0.00 H new ATOM 0 HB THR A 48 -0.649 5.082 3.273 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.568 7.426 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.695 6.386 3.727 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.831 4.758 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.469 6.153 5.477 1.00 0.00 H new ATOM 701 N ALA A 49 -0.903 2.466 4.334 1.00 0.00 N ATOM 702 CA ALA A 49 -1.555 1.168 4.300 1.00 0.00 C ATOM 703 C ALA A 49 -1.294 0.436 5.618 1.00 0.00 C ATOM 704 O ALA A 49 -2.230 0.004 6.288 1.00 0.00 O ATOM 705 CB ALA A 49 -1.059 0.379 3.087 1.00 0.00 C ATOM 0 H ALA A 49 -0.442 2.735 3.465 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.634 1.283 4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -1.548 -0.595 3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.295 0.927 2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.020 0.241 3.159 1.00 0.00 H new ATOM 711 N LEU A 50 -0.016 0.320 5.950 1.00 0.00 N ATOM 712 CA LEU A 50 0.380 -0.353 7.176 1.00 0.00 C ATOM 713 C LEU A 50 -0.209 0.393 8.375 1.00 0.00 C ATOM 714 O LEU A 50 -0.868 -0.208 9.222 1.00 0.00 O ATOM 715 CB LEU A 50 1.901 -0.507 7.235 1.00 0.00 C ATOM 716 CG LEU A 50 2.423 -1.710 8.022 1.00 0.00 C ATOM 717 CD1 LEU A 50 2.022 -3.023 7.347 1.00 0.00 C ATOM 718 CD2 LEU A 50 3.936 -1.613 8.233 1.00 0.00 C ATOM 0 H LEU A 50 0.758 0.680 5.392 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.021 -1.366 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.279 -0.573 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.321 0.398 7.673 1.00 0.00 H new ATOM 0 HG LEU A 50 1.959 -1.700 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.406 -3.862 7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.935 -3.087 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.439 -3.057 6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.281 -2.481 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.437 -1.584 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.168 -0.705 8.789 1.00 0.00 H new ATOM 730 N SER A 51 0.049 1.692 8.408 1.00 0.00 N ATOM 731 CA SER A 51 -0.448 2.527 9.489 1.00 0.00 C ATOM 732 C SER A 51 -1.943 2.278 9.697 1.00 0.00 C ATOM 733 O SER A 51 -2.397 2.116 10.829 1.00 0.00 O ATOM 734 CB SER A 51 -0.190 4.008 9.205 1.00 0.00 C ATOM 735 OG SER A 51 0.842 4.539 10.031 1.00 0.00 O ATOM 0 H SER A 51 0.596 2.187 7.704 1.00 0.00 H new ATOM 0 HA SER A 51 0.088 2.262 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.084 4.134 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.108 4.573 9.365 1.00 0.00 H new ATOM 0 HG SER A 51 0.977 5.486 9.818 1.00 0.00 H new ATOM 741 N THR A 52 -2.667 2.256 8.588 1.00 0.00 N ATOM 742 CA THR A 52 -4.101 2.030 8.634 1.00 0.00 C ATOM 743 C THR A 52 -4.402 0.611 9.122 1.00 0.00 C ATOM 744 O THR A 52 -4.953 0.427 10.206 1.00 0.00 O ATOM 745 CB THR A 52 -4.672 2.330 7.247 1.00 0.00 C ATOM 746 OG1 THR A 52 -4.495 3.736 7.095 1.00 0.00 O ATOM 747 CG2 THR A 52 -6.189 2.137 7.184 1.00 0.00 C ATOM 0 H THR A 52 -2.287 2.391 7.651 1.00 0.00 H new ATOM 0 HA THR A 52 -4.583 2.695 9.350 1.00 0.00 H new ATOM 0 HB THR A 52 -4.193 1.685 6.510 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.560 3.926 6.870 1.00 0.00 H new ATOM 0 HG21 THR A 52 -6.543 2.363 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.435 1.104 7.432 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.671 2.806 7.897 1.00 0.00 H new ATOM 755 N PHE A 53 -4.026 -0.356 8.297 1.00 0.00 N ATOM 756 CA PHE A 53 -4.249 -1.752 8.630 1.00 0.00 C ATOM 757 C PHE A 53 -4.026 -2.002 10.123 1.00 0.00 C ATOM 758 O PHE A 53 -4.843 -2.649 10.776 1.00 0.00 O ATOM 759 CB PHE A 53 -3.232 -2.570 7.831 1.00 0.00 C ATOM 760 CG PHE A 53 -2.925 -3.942 8.434 1.00 0.00 C ATOM 761 CD1 PHE A 53 -1.957 -4.067 9.381 1.00 0.00 C ATOM 762 CD2 PHE A 53 -3.620 -5.037 8.024 1.00 0.00 C ATOM 763 CE1 PHE A 53 -1.672 -5.340 9.942 1.00 0.00 C ATOM 764 CE2 PHE A 53 -3.335 -6.310 8.584 1.00 0.00 C ATOM 765 CZ PHE A 53 -2.367 -6.435 9.531 1.00 0.00 C ATOM 0 H PHE A 53 -3.568 -0.200 7.399 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.275 -2.032 8.391 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.607 -2.706 6.817 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.305 -2.003 7.754 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.405 -3.198 9.707 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.389 -4.938 7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.904 -5.439 10.695 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.887 -7.179 8.258 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.150 -7.404 9.957 1.00 0.00 H new ATOM 775 N PHE A 54 -2.916 -1.476 10.619 1.00 0.00 N ATOM 776 CA PHE A 54 -2.576 -1.634 12.023 1.00 0.00 C ATOM 777 C PHE A 54 -3.561 -0.874 12.915 1.00 0.00 C ATOM 778 O PHE A 54 -3.975 -1.379 13.957 1.00 0.00 O ATOM 779 CB PHE A 54 -1.176 -1.045 12.213 1.00 0.00 C ATOM 780 CG PHE A 54 -0.057 -2.089 12.212 1.00 0.00 C ATOM 781 CD1 PHE A 54 0.517 -2.468 11.039 1.00 0.00 C ATOM 782 CD2 PHE A 54 0.363 -2.636 13.384 1.00 0.00 C ATOM 783 CE1 PHE A 54 1.556 -3.437 11.039 1.00 0.00 C ATOM 784 CE2 PHE A 54 1.401 -3.605 13.383 1.00 0.00 C ATOM 785 CZ PHE A 54 1.976 -3.985 12.210 1.00 0.00 C ATOM 0 H PHE A 54 -2.241 -0.940 10.074 1.00 0.00 H new ATOM 0 HA PHE A 54 -2.616 -2.688 12.299 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.986 -0.323 11.419 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.148 -0.498 13.155 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.183 -2.033 10.108 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.093 -2.334 14.315 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.013 -3.739 10.108 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.734 -4.040 14.314 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.766 -4.722 12.209 1.00 0.00 H new ATOM 795 N GLN A 55 -3.906 0.325 12.472 1.00 0.00 N ATOM 796 CA GLN A 55 -4.835 1.159 13.216 1.00 0.00 C ATOM 797 C GLN A 55 -6.256 0.605 13.100 1.00 0.00 C ATOM 798 O GLN A 55 -7.125 0.943 13.902 1.00 0.00 O ATOM 799 CB GLN A 55 -4.771 2.611 12.740 1.00 0.00 C ATOM 800 CG GLN A 55 -5.894 3.443 13.363 1.00 0.00 C ATOM 801 CD GLN A 55 -5.400 4.843 13.731 1.00 0.00 C ATOM 802 OE1 GLN A 55 -5.039 5.644 12.885 1.00 0.00 O ATOM 803 NE2 GLN A 55 -5.405 5.093 15.037 1.00 0.00 N ATOM 0 H GLN A 55 -3.559 0.740 11.607 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.545 1.143 14.267 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.805 3.042 13.004 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.849 2.645 11.653 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.726 3.519 12.663 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.272 2.941 14.254 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.720 4.377 15.692 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.094 6.000 15.384 1.00 0.00 H new ATOM 812 N GLU A 56 -6.449 -0.236 12.094 1.00 0.00 N ATOM 813 CA GLU A 56 -7.750 -0.839 11.863 1.00 0.00 C ATOM 814 C GLU A 56 -7.732 -2.313 12.273 1.00 0.00 C ATOM 815 O GLU A 56 -7.682 -3.198 11.419 1.00 0.00 O ATOM 816 CB GLU A 56 -8.175 -0.682 10.401 1.00 0.00 C ATOM 817 CG GLU A 56 -8.903 0.647 10.182 1.00 0.00 C ATOM 818 CD GLU A 56 -10.420 0.445 10.170 1.00 0.00 C ATOM 819 OE1 GLU A 56 -10.895 -0.236 9.237 1.00 0.00 O ATOM 820 OE2 GLU A 56 -11.070 0.978 11.096 1.00 0.00 O ATOM 0 H GLU A 56 -5.726 -0.514 11.430 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.484 -0.320 12.479 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.298 -0.731 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.826 -1.509 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.632 1.349 10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.584 1.090 9.238 1.00 0.00 H new ATOM 827 N THR A 57 -7.774 -2.532 13.579 1.00 0.00 N ATOM 828 CA THR A 57 -7.763 -3.883 14.112 1.00 0.00 C ATOM 829 C THR A 57 -7.931 -3.858 15.632 1.00 0.00 C ATOM 830 O THR A 57 -7.365 -3.000 16.309 1.00 0.00 O ATOM 831 CB THR A 57 -6.471 -4.562 13.654 1.00 0.00 C ATOM 832 OG1 THR A 57 -6.537 -5.862 14.233 1.00 0.00 O ATOM 833 CG2 THR A 57 -5.225 -3.936 14.286 1.00 0.00 C ATOM 0 H THR A 57 -7.816 -1.796 14.284 1.00 0.00 H new ATOM 0 HA THR A 57 -8.604 -4.464 13.733 1.00 0.00 H new ATOM 0 HB THR A 57 -6.396 -4.504 12.568 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.738 -6.372 13.985 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.336 -4.455 13.928 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.167 -2.883 14.010 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.284 -4.024 15.371 1.00 0.00 H new ATOM 841 N ASN A 58 -8.711 -4.808 16.126 1.00 0.00 N ATOM 842 CA ASN A 58 -8.960 -4.906 17.554 1.00 0.00 C ATOM 843 C ASN A 58 -7.836 -5.712 18.209 1.00 0.00 C ATOM 844 O ASN A 58 -7.926 -6.934 18.318 1.00 0.00 O ATOM 845 CB ASN A 58 -10.282 -5.623 17.835 1.00 0.00 C ATOM 846 CG ASN A 58 -11.282 -4.683 18.511 1.00 0.00 C ATOM 847 OD1 ASN A 58 -11.302 -4.522 19.720 1.00 0.00 O ATOM 848 ND2 ASN A 58 -12.109 -4.074 17.666 1.00 0.00 N ATOM 0 H ASN A 58 -9.179 -5.517 15.562 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.006 -3.895 17.959 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.703 -5.997 16.902 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -10.102 -6.488 18.473 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.814 -3.427 18.019 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.038 -4.254 16.664 1.00 0.00 H new ATOM 855 N ILE A 59 -6.804 -4.995 18.629 1.00 0.00 N ATOM 856 CA ILE A 59 -5.665 -5.628 19.271 1.00 0.00 C ATOM 857 C ILE A 59 -5.881 -5.643 20.785 1.00 0.00 C ATOM 858 O ILE A 59 -6.630 -4.825 21.317 1.00 0.00 O ATOM 859 CB ILE A 59 -4.363 -4.948 18.842 1.00 0.00 C ATOM 860 CG1 ILE A 59 -4.335 -3.485 19.289 1.00 0.00 C ATOM 861 CG2 ILE A 59 -4.139 -5.091 17.336 1.00 0.00 C ATOM 862 CD1 ILE A 59 -2.919 -3.057 19.678 1.00 0.00 C ATOM 0 H ILE A 59 -6.733 -3.982 18.537 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.576 -6.666 18.952 1.00 0.00 H new ATOM 0 HB ILE A 59 -3.535 -5.453 19.340 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.703 -2.848 18.484 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.006 -3.347 20.137 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.207 -4.599 17.058 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.083 -6.148 17.075 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.967 -4.628 16.799 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.928 -2.013 19.992 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.563 -3.680 20.499 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.256 -3.173 18.821 1.00 0.00 H new ATOM 874 N PRO A 60 -5.194 -6.608 21.454 1.00 0.00 N ATOM 875 CA PRO A 60 -5.304 -6.740 22.897 1.00 0.00 C ATOM 876 C PRO A 60 -4.519 -5.638 23.610 1.00 0.00 C ATOM 877 O PRO A 60 -3.290 -5.665 23.639 1.00 0.00 O ATOM 878 CB PRO A 60 -4.783 -8.134 23.205 1.00 0.00 C ATOM 879 CG PRO A 60 -3.972 -8.554 21.989 1.00 0.00 C ATOM 880 CD PRO A 60 -4.298 -7.594 20.857 1.00 0.00 C ATOM 0 HA PRO A 60 -6.328 -6.624 23.253 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.166 -8.131 24.104 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.605 -8.827 23.385 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.906 -8.530 22.215 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.215 -9.578 21.703 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -3.396 -7.124 20.465 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -4.776 -8.111 20.025 1.00 0.00 H new ATOM 888 N ASN A 61 -5.262 -4.693 24.168 1.00 0.00 N ATOM 889 CA ASN A 61 -4.651 -3.583 24.880 1.00 0.00 C ATOM 890 C ASN A 61 -4.000 -4.102 26.163 1.00 0.00 C ATOM 891 O ASN A 61 -4.348 -5.177 26.650 1.00 0.00 O ATOM 892 CB ASN A 61 -5.696 -2.536 25.270 1.00 0.00 C ATOM 893 CG ASN A 61 -6.820 -3.165 26.096 1.00 0.00 C ATOM 894 OD1 ASN A 61 -6.716 -3.342 27.299 1.00 0.00 O ATOM 895 ND2 ASN A 61 -7.896 -3.491 25.386 1.00 0.00 N ATOM 0 H ASN A 61 -6.281 -4.673 24.141 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.912 -3.127 24.222 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.221 -1.739 25.842 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.112 -2.079 24.372 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.701 -3.917 25.846 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -7.917 -3.315 24.381 1.00 0.00 H new ATOM 902 N SER A 62 -3.066 -3.314 26.676 1.00 0.00 N ATOM 903 CA SER A 62 -2.363 -3.681 27.893 1.00 0.00 C ATOM 904 C SER A 62 -1.410 -2.557 28.306 1.00 0.00 C ATOM 905 O SER A 62 -0.410 -2.309 27.634 1.00 0.00 O ATOM 906 CB SER A 62 -1.593 -4.990 27.712 1.00 0.00 C ATOM 907 OG SER A 62 -1.368 -5.654 28.953 1.00 0.00 O ATOM 0 H SER A 62 -2.780 -2.423 26.271 1.00 0.00 H new ATOM 0 HA SER A 62 -3.101 -3.832 28.681 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.149 -5.648 27.044 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.636 -4.784 27.232 1.00 0.00 H new ATOM 0 HG SER A 62 -0.875 -6.486 28.794 1.00 0.00 H new ATOM 913 N HIS A 63 -1.753 -1.908 29.408 1.00 0.00 N ATOM 914 CA HIS A 63 -0.941 -0.817 29.918 1.00 0.00 C ATOM 915 C HIS A 63 -0.052 -1.326 31.055 1.00 0.00 C ATOM 916 O HIS A 63 -0.508 -1.464 32.189 1.00 0.00 O ATOM 917 CB HIS A 63 -1.818 0.365 30.335 1.00 0.00 C ATOM 918 CG HIS A 63 -1.364 1.694 29.779 1.00 0.00 C ATOM 919 ND1 HIS A 63 -1.734 2.906 30.336 1.00 0.00 N ATOM 920 CD2 HIS A 63 -0.567 1.988 28.712 1.00 0.00 C ATOM 921 CE1 HIS A 63 -1.179 3.878 29.628 1.00 0.00 C ATOM 922 NE2 HIS A 63 -0.457 3.307 28.622 1.00 0.00 N ATOM 0 H HIS A 63 -2.583 -2.117 29.963 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.286 -0.448 29.129 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.841 0.177 30.010 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.835 0.425 31.423 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.104 1.269 28.052 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.280 4.937 29.815 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.080 3.811 27.916 1.00 0.00 H new ATOM 930 N HIS A 64 1.199 -1.591 30.711 1.00 0.00 N ATOM 931 CA HIS A 64 2.156 -2.082 31.689 1.00 0.00 C ATOM 932 C HIS A 64 3.549 -2.142 31.059 1.00 0.00 C ATOM 933 O HIS A 64 3.681 -2.347 29.853 1.00 0.00 O ATOM 934 CB HIS A 64 1.706 -3.428 32.261 1.00 0.00 C ATOM 935 CG HIS A 64 1.067 -3.332 33.626 1.00 0.00 C ATOM 936 ND1 HIS A 64 0.077 -4.200 34.053 1.00 0.00 N ATOM 937 CD2 HIS A 64 1.287 -2.463 34.654 1.00 0.00 C ATOM 938 CE1 HIS A 64 -0.275 -3.860 35.284 1.00 0.00 C ATOM 939 NE2 HIS A 64 0.475 -2.783 35.654 1.00 0.00 N ATOM 0 H HIS A 64 1.573 -1.475 29.769 1.00 0.00 H new ATOM 0 HA HIS A 64 2.206 -1.393 32.532 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.998 -3.886 31.571 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.568 -4.092 32.320 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.001 -1.652 34.654 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.024 -4.350 35.888 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.421 -2.302 36.552 1.00 0.00 H new ATOM 947 N HIS A 65 4.553 -1.958 31.903 1.00 0.00 N ATOM 948 CA HIS A 65 5.932 -1.988 31.444 1.00 0.00 C ATOM 949 C HIS A 65 6.653 -3.186 32.066 1.00 0.00 C ATOM 950 O HIS A 65 7.156 -3.099 33.185 1.00 0.00 O ATOM 951 CB HIS A 65 6.630 -0.659 31.735 1.00 0.00 C ATOM 952 CG HIS A 65 6.406 -0.140 33.135 1.00 0.00 C ATOM 953 ND1 HIS A 65 5.251 0.522 33.513 1.00 0.00 N ATOM 954 CD2 HIS A 65 7.199 -0.194 34.243 1.00 0.00 C ATOM 955 CE1 HIS A 65 5.356 0.848 34.793 1.00 0.00 C ATOM 956 NE2 HIS A 65 6.564 0.404 35.244 1.00 0.00 N ATOM 0 H HIS A 65 4.440 -1.788 32.902 1.00 0.00 H new ATOM 0 HA HIS A 65 5.957 -2.115 30.362 1.00 0.00 H new ATOM 0 HB2 HIS A 65 7.701 -0.779 31.570 1.00 0.00 H new ATOM 0 HB3 HIS A 65 6.280 0.087 31.022 1.00 0.00 H new ATOM 0 HD2 HIS A 65 8.178 -0.647 34.297 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.615 1.373 35.377 1.00 0.00 H new ATOM 0 HE2 HIS A 65 6.921 0.513 36.193 1.00 0.00 H new ATOM 964 N HIS A 66 6.681 -4.275 31.312 1.00 0.00 N ATOM 965 CA HIS A 66 7.332 -5.489 31.775 1.00 0.00 C ATOM 966 C HIS A 66 8.805 -5.200 32.071 1.00 0.00 C ATOM 967 O HIS A 66 9.591 -6.121 32.288 1.00 0.00 O ATOM 968 CB HIS A 66 7.142 -6.626 30.769 1.00 0.00 C ATOM 969 CG HIS A 66 5.727 -7.148 30.694 1.00 0.00 C ATOM 970 ND1 HIS A 66 5.098 -7.440 29.496 1.00 0.00 N ATOM 971 CD2 HIS A 66 4.827 -7.429 31.680 1.00 0.00 C ATOM 972 CE1 HIS A 66 3.875 -7.875 29.761 1.00 0.00 C ATOM 973 NE2 HIS A 66 3.709 -7.867 31.115 1.00 0.00 N ATOM 0 H HIS A 66 6.264 -4.342 30.384 1.00 0.00 H new ATOM 0 HA HIS A 66 6.869 -5.823 32.704 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.443 -6.278 29.781 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.808 -7.447 31.034 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.996 -7.314 32.741 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.139 -8.182 29.033 1.00 0.00 H new ATOM 0 HE2 HIS A 66 2.864 -8.151 31.611 1.00 0.00 H new TER 981 HIS A 66