USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 750 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 74 THR OG1 : rot -20:sc= 0.468 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0859 X(o=0.38,f=0.14) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 29 TYR OH : rot -135:sc= 0.689 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -2.38 K(o=-1.7,f=-4.5!) USER MOD Set 4.1: A 23 GLN : amide:sc= -0.608 X(o=-3.1,f=-3.4!) USER MOD Set 4.2: A 39 CYS SG : rot 176:sc= -2.5 USER MOD Single : A 1 MET CE :methyl -147:sc= -0.393 (180deg=-1.48!) USER MOD Single : A 2 ASN : amide:sc= -0.365 X(o=-0.36,f=0) USER MOD Single : A 3 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.06) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot -9:sc= 0.314 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -164:sc= -0.0261 (180deg=-0.238) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.0592 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.399 USER MOD Single : A 32 GLN : amide:sc= -2.97! C(o=-3!,f=-4!) USER MOD Single : A 42 MET CE :methyl -145:sc= -0.197 (180deg=-0.471) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 101:sc= 1.1 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 50 SER OG : rot 45:sc= -0.932 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0192 X(o=-0.019,f=0.33) USER MOD Single : A 63 CYS SG : rot 178:sc= -1.73 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -119:sc= -1.04 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0747 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc=-0.00239 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -8.941 -0.394 -15.920 1.00 0.00 N ATOM 2 CA GLY A -6 -9.097 0.178 -17.245 1.00 0.00 C ATOM 3 C GLY A -6 -9.624 -0.825 -18.252 1.00 0.00 C ATOM 4 O GLY A -6 -9.130 -1.949 -18.335 1.00 0.00 O ATOM 0 H1 GLY A -6 -8.578 0.332 -15.269 1.00 0.00 H new ATOM 0 H2 GLY A -6 -9.862 -0.736 -15.579 1.00 0.00 H new ATOM 0 H3 GLY A -6 -8.271 -1.188 -15.961 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -9.778 1.027 -17.193 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -8.136 0.561 -17.587 1.00 0.00 H new ATOM 8 N SER A -5 -10.632 -0.419 -19.017 1.00 0.00 N ATOM 9 CA SER A -5 -11.231 -1.292 -20.019 1.00 0.00 C ATOM 10 C SER A -5 -10.243 -1.587 -21.144 1.00 0.00 C ATOM 11 O SER A -5 -9.508 -0.704 -21.586 1.00 0.00 O ATOM 12 CB SER A -5 -12.498 -0.653 -20.592 1.00 0.00 C ATOM 13 OG SER A -5 -13.216 -1.574 -21.394 1.00 0.00 O ATOM 0 H SER A -5 -11.051 0.509 -18.962 1.00 0.00 H new ATOM 0 HA SER A -5 -11.494 -2.232 -19.534 1.00 0.00 H new ATOM 0 HB2 SER A -5 -13.133 -0.303 -19.778 1.00 0.00 H new ATOM 0 HB3 SER A -5 -12.231 0.221 -21.186 1.00 0.00 H new ATOM 0 HG SER A -5 -14.022 -1.142 -21.747 1.00 0.00 H new ATOM 19 N SER A -4 -10.232 -2.834 -21.602 1.00 0.00 N ATOM 20 CA SER A -4 -9.333 -3.248 -22.672 1.00 0.00 C ATOM 21 C SER A -4 -9.590 -2.439 -23.940 1.00 0.00 C ATOM 22 O SER A -4 -10.649 -2.550 -24.556 1.00 0.00 O ATOM 23 CB SER A -4 -9.502 -4.740 -22.962 1.00 0.00 C ATOM 24 OG SER A -4 -8.445 -5.226 -23.770 1.00 0.00 O ATOM 0 H SER A -4 -10.836 -3.576 -21.248 1.00 0.00 H new ATOM 0 HA SER A -4 -8.310 -3.064 -22.345 1.00 0.00 H new ATOM 0 HB2 SER A -4 -9.531 -5.295 -22.024 1.00 0.00 H new ATOM 0 HB3 SER A -4 -10.455 -4.910 -23.463 1.00 0.00 H new ATOM 0 HG SER A -4 -8.576 -6.182 -23.939 1.00 0.00 H new ATOM 30 N GLY A -3 -8.611 -1.625 -24.324 1.00 0.00 N ATOM 31 CA GLY A -3 -8.750 -0.810 -25.517 1.00 0.00 C ATOM 32 C GLY A -3 -8.518 0.663 -25.242 1.00 0.00 C ATOM 33 O GLY A -3 -7.482 1.045 -24.698 1.00 0.00 O ATOM 0 H GLY A -3 -7.725 -1.516 -23.831 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -8.042 -1.152 -26.272 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -9.749 -0.946 -25.932 1.00 0.00 H new ATOM 37 N SER A -2 -9.486 1.493 -25.619 1.00 0.00 N ATOM 38 CA SER A -2 -9.380 2.933 -25.415 1.00 0.00 C ATOM 39 C SER A -2 -9.522 3.284 -23.937 1.00 0.00 C ATOM 40 O SER A -2 -10.604 3.645 -23.474 1.00 0.00 O ATOM 41 CB SER A -2 -10.449 3.664 -26.229 1.00 0.00 C ATOM 42 OG SER A -2 -10.180 5.054 -26.293 1.00 0.00 O ATOM 0 H SER A -2 -10.352 1.193 -26.067 1.00 0.00 H new ATOM 0 HA SER A -2 -8.394 3.252 -25.753 1.00 0.00 H new ATOM 0 HB2 SER A -2 -10.488 3.251 -27.237 1.00 0.00 H new ATOM 0 HB3 SER A -2 -11.428 3.500 -25.779 1.00 0.00 H new ATOM 0 HG SER A -2 -10.877 5.498 -26.820 1.00 0.00 H new ATOM 48 N SER A -1 -8.420 3.175 -23.202 1.00 0.00 N ATOM 49 CA SER A -1 -8.421 3.477 -21.775 1.00 0.00 C ATOM 50 C SER A -1 -8.201 4.967 -21.535 1.00 0.00 C ATOM 51 O SER A -1 -7.446 5.360 -20.646 1.00 0.00 O ATOM 52 CB SER A -1 -7.336 2.668 -21.061 1.00 0.00 C ATOM 53 OG SER A -1 -7.650 1.286 -21.056 1.00 0.00 O ATOM 0 H SER A -1 -7.516 2.880 -23.570 1.00 0.00 H new ATOM 0 HA SER A -1 -9.395 3.202 -21.371 1.00 0.00 H new ATOM 0 HB2 SER A -1 -6.377 2.824 -21.555 1.00 0.00 H new ATOM 0 HB3 SER A -1 -7.228 3.023 -20.036 1.00 0.00 H new ATOM 0 HG SER A -1 -8.567 1.158 -21.376 1.00 0.00 H new ATOM 59 N GLY A 0 -8.867 5.794 -22.335 1.00 0.00 N ATOM 60 CA GLY A 0 -8.732 7.232 -22.195 1.00 0.00 C ATOM 61 C GLY A 0 -8.864 7.689 -20.756 1.00 0.00 C ATOM 62 O GLY A 0 -9.831 7.348 -20.076 1.00 0.00 O ATOM 0 H GLY A 0 -9.498 5.493 -23.078 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -7.762 7.542 -22.584 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -9.492 7.726 -22.801 1.00 0.00 H new ATOM 66 N MET A 1 -7.889 8.462 -20.290 1.00 0.00 N ATOM 67 CA MET A 1 -7.901 8.966 -18.922 1.00 0.00 C ATOM 68 C MET A 1 -8.415 10.402 -18.875 1.00 0.00 C ATOM 69 O MET A 1 -8.304 11.142 -19.852 1.00 0.00 O ATOM 70 CB MET A 1 -6.498 8.895 -18.317 1.00 0.00 C ATOM 71 CG MET A 1 -6.490 8.897 -16.796 1.00 0.00 C ATOM 72 SD MET A 1 -6.941 7.298 -16.097 1.00 0.00 S ATOM 73 CE MET A 1 -8.667 7.573 -15.706 1.00 0.00 C ATOM 0 H MET A 1 -7.081 8.753 -20.840 1.00 0.00 H new ATOM 0 HA MET A 1 -8.574 8.339 -18.337 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.003 7.992 -18.673 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.913 9.742 -18.676 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.498 9.177 -16.442 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.183 9.656 -16.434 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.933 7.007 -14.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.834 8.635 -15.525 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.286 7.245 -16.541 1.00 0.00 H new ATOM 83 N ASN A 2 -8.978 10.788 -17.735 1.00 0.00 N ATOM 84 CA ASN A 2 -9.510 12.135 -17.562 1.00 0.00 C ATOM 85 C ASN A 2 -8.432 13.183 -17.822 1.00 0.00 C ATOM 86 O ASN A 2 -7.279 13.013 -17.427 1.00 0.00 O ATOM 87 CB ASN A 2 -10.073 12.306 -16.150 1.00 0.00 C ATOM 88 CG ASN A 2 -11.174 13.348 -16.090 1.00 0.00 C ATOM 89 OD1 ASN A 2 -12.359 13.017 -16.114 1.00 0.00 O ATOM 90 ND2 ASN A 2 -10.785 14.615 -16.010 1.00 0.00 N ATOM 0 H ASN A 2 -9.078 10.187 -16.917 1.00 0.00 H new ATOM 0 HA ASN A 2 -10.313 12.278 -18.286 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -10.461 11.350 -15.798 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.268 12.592 -15.473 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -11.480 15.360 -15.966 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.791 14.843 -15.993 1.00 0.00 H new ATOM 97 N ASN A 3 -8.816 14.267 -18.489 1.00 0.00 N ATOM 98 CA ASN A 3 -7.882 15.343 -18.801 1.00 0.00 C ATOM 99 C ASN A 3 -6.944 15.606 -17.628 1.00 0.00 C ATOM 100 O ASN A 3 -5.724 15.504 -17.760 1.00 0.00 O ATOM 101 CB ASN A 3 -8.645 16.620 -19.156 1.00 0.00 C ATOM 102 CG ASN A 3 -9.484 16.464 -20.410 1.00 0.00 C ATOM 103 OD1 ASN A 3 -10.693 16.697 -20.395 1.00 0.00 O ATOM 104 ND2 ASN A 3 -8.844 16.068 -21.504 1.00 0.00 N ATOM 0 H ASN A 3 -9.767 14.423 -18.824 1.00 0.00 H new ATOM 0 HA ASN A 3 -7.284 15.035 -19.658 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.291 16.898 -18.323 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -7.936 17.436 -19.296 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -9.356 15.946 -22.378 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -7.841 15.886 -21.470 1.00 0.00 H new ATOM 111 N SER A 4 -7.521 15.946 -16.480 1.00 0.00 N ATOM 112 CA SER A 4 -6.737 16.228 -15.283 1.00 0.00 C ATOM 113 C SER A 4 -5.596 15.226 -15.134 1.00 0.00 C ATOM 114 O SER A 4 -5.792 14.019 -15.272 1.00 0.00 O ATOM 115 CB SER A 4 -7.630 16.190 -14.042 1.00 0.00 C ATOM 116 OG SER A 4 -8.608 17.214 -14.086 1.00 0.00 O ATOM 0 H SER A 4 -8.529 16.033 -16.353 1.00 0.00 H new ATOM 0 HA SER A 4 -6.311 17.226 -15.384 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.119 15.218 -13.972 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.019 16.305 -13.147 1.00 0.00 H new ATOM 0 HG SER A 4 -9.167 17.167 -13.282 1.00 0.00 H new ATOM 122 N GLY A 5 -4.401 15.737 -14.850 1.00 0.00 N ATOM 123 CA GLY A 5 -3.246 14.875 -14.686 1.00 0.00 C ATOM 124 C GLY A 5 -2.501 15.143 -13.393 1.00 0.00 C ATOM 125 O GLY A 5 -1.910 14.235 -12.810 1.00 0.00 O ATOM 0 H GLY A 5 -4.213 16.732 -14.731 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.568 13.834 -14.707 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.568 15.016 -15.528 1.00 0.00 H new ATOM 129 N ALA A 6 -2.528 16.394 -12.945 1.00 0.00 N ATOM 130 CA ALA A 6 -1.850 16.779 -11.713 1.00 0.00 C ATOM 131 C ALA A 6 -2.722 16.493 -10.495 1.00 0.00 C ATOM 132 O ALA A 6 -2.982 17.382 -9.684 1.00 0.00 O ATOM 133 CB ALA A 6 -1.469 18.251 -11.758 1.00 0.00 C ATOM 0 H ALA A 6 -3.012 17.158 -13.417 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.942 16.183 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.964 18.525 -10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -0.802 18.429 -12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.368 18.856 -11.873 1.00 0.00 H new ATOM 139 N ASP A 7 -3.171 15.248 -10.373 1.00 0.00 N ATOM 140 CA ASP A 7 -4.013 14.845 -9.253 1.00 0.00 C ATOM 141 C ASP A 7 -3.455 13.599 -8.574 1.00 0.00 C ATOM 142 O ASP A 7 -3.382 13.529 -7.348 1.00 0.00 O ATOM 143 CB ASP A 7 -5.443 14.584 -9.731 1.00 0.00 C ATOM 144 CG ASP A 7 -5.489 14.010 -11.133 1.00 0.00 C ATOM 145 OD1 ASP A 7 -5.097 14.724 -12.080 1.00 0.00 O ATOM 146 OD2 ASP A 7 -5.915 12.846 -11.284 1.00 0.00 O ATOM 0 H ASP A 7 -2.966 14.501 -11.036 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.023 15.658 -8.527 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -5.933 13.895 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -6.008 15.516 -9.704 1.00 0.00 H new ATOM 151 N GLU A 8 -3.063 12.617 -9.380 1.00 0.00 N ATOM 152 CA GLU A 8 -2.513 11.372 -8.856 1.00 0.00 C ATOM 153 C GLU A 8 -0.997 11.464 -8.716 1.00 0.00 C ATOM 154 O GLU A 8 -0.299 10.449 -8.732 1.00 0.00 O ATOM 155 CB GLU A 8 -2.883 10.201 -9.769 1.00 0.00 C ATOM 156 CG GLU A 8 -4.375 10.075 -10.024 1.00 0.00 C ATOM 157 CD GLU A 8 -4.784 8.669 -10.416 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.746 8.354 -11.624 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.141 7.882 -9.514 1.00 0.00 O ATOM 0 H GLU A 8 -3.116 12.659 -10.398 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.942 11.202 -7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.369 10.319 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.520 9.275 -9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.919 10.371 -9.127 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.664 10.767 -10.815 1.00 0.00 H new ATOM 166 N ILE A 9 -0.494 12.686 -8.579 1.00 0.00 N ATOM 167 CA ILE A 9 0.939 12.910 -8.436 1.00 0.00 C ATOM 168 C ILE A 9 1.477 12.244 -7.174 1.00 0.00 C ATOM 169 O ILE A 9 2.370 11.401 -7.237 1.00 0.00 O ATOM 170 CB ILE A 9 1.273 14.413 -8.391 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.653 15.131 -9.592 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.779 14.621 -8.363 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.786 16.637 -9.530 1.00 0.00 C ATOM 0 H ILE A 9 -1.058 13.536 -8.564 1.00 0.00 H new ATOM 0 HA ILE A 9 1.416 12.466 -9.310 1.00 0.00 H new ATOM 0 HB ILE A 9 0.851 14.837 -7.480 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.126 14.770 -10.505 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.403 14.870 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.998 15.688 -8.331 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.197 14.138 -7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.223 14.186 -9.258 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.325 17.080 -10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.288 17.010 -8.635 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.841 16.908 -9.498 1.00 0.00 H new ATOM 185 N GLY A 10 0.924 12.628 -6.028 1.00 0.00 N ATOM 186 CA GLY A 10 1.359 12.056 -4.767 1.00 0.00 C ATOM 187 C GLY A 10 0.730 10.704 -4.495 1.00 0.00 C ATOM 188 O GLY A 10 0.797 10.192 -3.377 1.00 0.00 O ATOM 0 H GLY A 10 0.183 13.325 -5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.444 11.954 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.108 12.740 -3.956 1.00 0.00 H new ATOM 192 N LYS A 11 0.114 10.123 -5.519 1.00 0.00 N ATOM 193 CA LYS A 11 -0.531 8.822 -5.387 1.00 0.00 C ATOM 194 C LYS A 11 0.406 7.703 -5.829 1.00 0.00 C ATOM 195 O LYS A 11 1.203 7.875 -6.752 1.00 0.00 O ATOM 196 CB LYS A 11 -1.817 8.781 -6.215 1.00 0.00 C ATOM 197 CG LYS A 11 -2.702 7.587 -5.905 1.00 0.00 C ATOM 198 CD LYS A 11 -4.067 7.719 -6.560 1.00 0.00 C ATOM 199 CE LYS A 11 -4.928 8.754 -5.850 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.330 8.301 -4.490 1.00 0.00 N ATOM 0 H LYS A 11 0.048 10.533 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.778 8.672 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.382 9.697 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.557 8.765 -7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.218 6.674 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.823 7.493 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.944 8.002 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.573 6.753 -6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.379 9.692 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.819 8.955 -6.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.118 8.887 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.630 7.306 -4.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.523 8.393 -3.841 1.00 0.00 H new ATOM 214 N LEU A 12 0.305 6.557 -5.165 1.00 0.00 N ATOM 215 CA LEU A 12 1.143 5.408 -5.490 1.00 0.00 C ATOM 216 C LEU A 12 0.300 4.148 -5.654 1.00 0.00 C ATOM 217 O LEU A 12 -0.262 3.634 -4.687 1.00 0.00 O ATOM 218 CB LEU A 12 2.195 5.193 -4.400 1.00 0.00 C ATOM 219 CG LEU A 12 3.412 4.357 -4.796 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.185 5.037 -5.916 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.312 4.121 -3.592 1.00 0.00 C ATOM 0 H LEU A 12 -0.349 6.399 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 12 1.645 5.613 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.544 6.169 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.713 4.715 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 12 3.062 3.390 -5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.048 4.428 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.538 5.154 -6.786 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.524 6.018 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.173 3.524 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.654 5.079 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.755 3.591 -2.820 1.00 0.00 H new ATOM 233 N PHE A 13 0.218 3.653 -6.885 1.00 0.00 N ATOM 234 CA PHE A 13 -0.556 2.452 -7.176 1.00 0.00 C ATOM 235 C PHE A 13 0.303 1.200 -7.020 1.00 0.00 C ATOM 236 O PHE A 13 1.254 0.989 -7.772 1.00 0.00 O ATOM 237 CB PHE A 13 -1.127 2.518 -8.594 1.00 0.00 C ATOM 238 CG PHE A 13 -1.252 1.174 -9.254 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.612 0.057 -8.517 1.00 0.00 C ATOM 240 CD2 PHE A 13 -1.010 1.028 -10.610 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.728 -1.181 -9.121 1.00 0.00 C ATOM 242 CE2 PHE A 13 -1.125 -0.207 -11.219 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.483 -1.313 -10.474 1.00 0.00 C ATOM 0 H PHE A 13 0.678 4.065 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.378 2.399 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.109 2.990 -8.560 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.488 3.156 -9.205 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.804 0.155 -7.459 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.728 1.889 -11.198 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.010 -2.044 -8.536 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.935 -0.307 -12.277 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.571 -2.279 -10.948 1.00 0.00 H new ATOM 253 N VAL A 14 -0.039 0.374 -6.036 1.00 0.00 N ATOM 254 CA VAL A 14 0.699 -0.857 -5.780 1.00 0.00 C ATOM 255 C VAL A 14 0.089 -2.031 -6.537 1.00 0.00 C ATOM 256 O VAL A 14 -1.095 -2.332 -6.389 1.00 0.00 O ATOM 257 CB VAL A 14 0.730 -1.190 -4.277 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.774 -2.258 -3.988 1.00 0.00 C ATOM 259 CG2 VAL A 14 1.000 0.064 -3.459 1.00 0.00 C ATOM 0 H VAL A 14 -0.823 0.535 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 14 1.718 -0.694 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.246 -1.581 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.781 -2.480 -2.921 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.533 -3.163 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.757 -1.897 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.018 -0.190 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.962 0.487 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.213 0.795 -3.643 1.00 0.00 H new ATOM 269 N GLY A 15 0.907 -2.694 -7.350 1.00 0.00 N ATOM 270 CA GLY A 15 0.430 -3.829 -8.118 1.00 0.00 C ATOM 271 C GLY A 15 1.115 -5.123 -7.727 1.00 0.00 C ATOM 272 O GLY A 15 2.183 -5.449 -8.243 1.00 0.00 O ATOM 0 H GLY A 15 1.891 -2.465 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.646 -3.934 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.594 -3.641 -9.179 1.00 0.00 H new ATOM 276 N GLY A 16 0.500 -5.863 -6.809 1.00 0.00 N ATOM 277 CA GLY A 16 1.073 -7.119 -6.363 1.00 0.00 C ATOM 278 C GLY A 16 0.913 -7.332 -4.871 1.00 0.00 C ATOM 279 O GLY A 16 1.862 -7.716 -4.185 1.00 0.00 O ATOM 0 H GLY A 16 -0.385 -5.615 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.598 -7.942 -6.897 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.132 -7.143 -6.619 1.00 0.00 H new ATOM 283 N LEU A 17 -0.289 -7.081 -4.365 1.00 0.00 N ATOM 284 CA LEU A 17 -0.571 -7.246 -2.943 1.00 0.00 C ATOM 285 C LEU A 17 -0.849 -8.708 -2.609 1.00 0.00 C ATOM 286 O LEU A 17 -0.874 -9.563 -3.494 1.00 0.00 O ATOM 287 CB LEU A 17 -1.765 -6.381 -2.535 1.00 0.00 C ATOM 288 CG LEU A 17 -1.483 -4.888 -2.357 1.00 0.00 C ATOM 289 CD1 LEU A 17 -0.618 -4.652 -1.129 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.814 -4.320 -3.600 1.00 0.00 C ATOM 0 H LEU A 17 -1.085 -6.762 -4.918 1.00 0.00 H new ATOM 0 HA LEU A 17 0.308 -6.926 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.545 -6.496 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.166 -6.769 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.432 -4.373 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.427 -3.585 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.134 -5.022 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.329 -5.180 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.621 -3.257 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.128 -4.839 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.469 -4.456 -4.460 1.00 0.00 H new ATOM 302 N ASP A 18 -1.061 -8.986 -1.327 1.00 0.00 N ATOM 303 CA ASP A 18 -1.342 -10.344 -0.876 1.00 0.00 C ATOM 304 C ASP A 18 -2.709 -10.422 -0.203 1.00 0.00 C ATOM 305 O ASP A 18 -3.135 -9.482 0.468 1.00 0.00 O ATOM 306 CB ASP A 18 -0.256 -10.818 0.091 1.00 0.00 C ATOM 307 CG ASP A 18 -0.327 -12.309 0.356 1.00 0.00 C ATOM 308 OD1 ASP A 18 0.184 -13.085 -0.480 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.891 -12.700 1.398 1.00 0.00 O ATOM 0 H ASP A 18 -1.044 -8.289 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.350 -10.996 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.724 -10.571 -0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.353 -10.279 1.034 1.00 0.00 H new ATOM 314 N TRP A 19 -3.391 -11.546 -0.389 1.00 0.00 N ATOM 315 CA TRP A 19 -4.710 -11.745 0.200 1.00 0.00 C ATOM 316 C TRP A 19 -4.697 -11.420 1.689 1.00 0.00 C ATOM 317 O TRP A 19 -5.743 -11.179 2.291 1.00 0.00 O ATOM 318 CB TRP A 19 -5.175 -13.186 -0.016 1.00 0.00 C ATOM 319 CG TRP A 19 -4.158 -14.207 0.398 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.309 -14.896 -0.420 1.00 0.00 C ATOM 321 CD2 TRP A 19 -3.886 -14.654 1.730 1.00 0.00 C ATOM 322 NE1 TRP A 19 -2.525 -15.745 0.324 1.00 0.00 N ATOM 323 CE2 TRP A 19 -2.859 -15.615 1.646 1.00 0.00 C ATOM 324 CE3 TRP A 19 -4.408 -14.335 2.987 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -2.348 -16.258 2.770 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -3.900 -14.975 4.101 1.00 0.00 C ATOM 327 CH2 TRP A 19 -2.878 -15.927 3.987 1.00 0.00 C ATOM 0 H TRP A 19 -3.053 -12.333 -0.943 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.407 -11.067 -0.294 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.095 -13.351 0.545 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.415 -13.329 -1.070 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.261 -14.789 -1.494 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.810 -16.370 -0.048 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -5.194 -13.601 3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -1.561 -16.992 2.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -4.297 -14.737 5.077 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -2.501 -16.409 4.877 1.00 0.00 H new ATOM 338 N SER A 20 -3.506 -11.415 2.279 1.00 0.00 N ATOM 339 CA SER A 20 -3.357 -11.123 3.700 1.00 0.00 C ATOM 340 C SER A 20 -3.103 -9.635 3.925 1.00 0.00 C ATOM 341 O SER A 20 -3.609 -9.044 4.879 1.00 0.00 O ATOM 342 CB SER A 20 -2.211 -11.943 4.294 1.00 0.00 C ATOM 343 OG SER A 20 -2.399 -12.151 5.683 1.00 0.00 O ATOM 0 H SER A 20 -2.630 -11.610 1.795 1.00 0.00 H new ATOM 0 HA SER A 20 -4.286 -11.395 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.146 -12.905 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.265 -11.428 4.125 1.00 0.00 H new ATOM 0 HG SER A 20 -1.654 -12.679 6.038 1.00 0.00 H new ATOM 349 N THR A 21 -2.316 -9.035 3.038 1.00 0.00 N ATOM 350 CA THR A 21 -1.993 -7.617 3.139 1.00 0.00 C ATOM 351 C THR A 21 -3.215 -6.802 3.546 1.00 0.00 C ATOM 352 O THR A 21 -4.294 -6.953 2.972 1.00 0.00 O ATOM 353 CB THR A 21 -1.445 -7.070 1.807 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.399 -7.919 1.321 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.917 -5.654 1.980 1.00 0.00 C ATOM 0 H THR A 21 -1.890 -9.509 2.241 1.00 0.00 H new ATOM 0 HA THR A 21 -1.225 -7.522 3.906 1.00 0.00 H new ATOM 0 HB THR A 21 -2.261 -7.051 1.085 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.149 -7.426 0.675 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.535 -5.289 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.723 -5.004 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.114 -5.653 2.717 1.00 0.00 H new ATOM 363 N THR A 22 -3.039 -5.937 4.540 1.00 0.00 N ATOM 364 CA THR A 22 -4.128 -5.098 5.025 1.00 0.00 C ATOM 365 C THR A 22 -3.817 -3.620 4.819 1.00 0.00 C ATOM 366 O THR A 22 -2.656 -3.234 4.689 1.00 0.00 O ATOM 367 CB THR A 22 -4.408 -5.349 6.518 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.198 -5.220 7.273 1.00 0.00 O ATOM 369 CG2 THR A 22 -5.000 -6.734 6.733 1.00 0.00 C ATOM 0 H THR A 22 -2.152 -5.799 5.025 1.00 0.00 H new ATOM 0 HA THR A 22 -5.013 -5.364 4.447 1.00 0.00 H new ATOM 0 HB THR A 22 -5.129 -4.606 6.859 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.386 -5.380 8.222 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.189 -6.888 7.795 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.936 -6.819 6.182 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.299 -7.489 6.376 1.00 0.00 H new ATOM 377 N GLN A 23 -4.861 -2.799 4.792 1.00 0.00 N ATOM 378 CA GLN A 23 -4.697 -1.362 4.602 1.00 0.00 C ATOM 379 C GLN A 23 -3.888 -0.751 5.741 1.00 0.00 C ATOM 380 O GLN A 23 -3.186 0.241 5.552 1.00 0.00 O ATOM 381 CB GLN A 23 -6.063 -0.680 4.508 1.00 0.00 C ATOM 382 CG GLN A 23 -6.586 -0.558 3.086 1.00 0.00 C ATOM 383 CD GLN A 23 -7.957 0.086 3.021 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.084 1.274 2.725 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.993 -0.697 3.299 1.00 0.00 N ATOM 0 H GLN A 23 -5.829 -3.103 4.899 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.154 -1.204 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.782 -1.242 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.994 0.315 4.947 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.884 0.030 2.494 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.632 -1.549 2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.842 -1.677 3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.940 -0.319 3.272 1.00 0.00 H new ATOM 394 N GLU A 24 -3.992 -1.351 6.922 1.00 0.00 N ATOM 395 CA GLU A 24 -3.269 -0.864 8.092 1.00 0.00 C ATOM 396 C GLU A 24 -1.765 -1.060 7.923 1.00 0.00 C ATOM 397 O GLU A 24 -1.004 -0.094 7.862 1.00 0.00 O ATOM 398 CB GLU A 24 -3.750 -1.585 9.353 1.00 0.00 C ATOM 399 CG GLU A 24 -4.916 -0.896 10.041 1.00 0.00 C ATOM 400 CD GLU A 24 -5.185 -1.449 11.427 1.00 0.00 C ATOM 401 OE1 GLU A 24 -4.253 -1.451 12.257 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.330 -1.881 11.680 1.00 0.00 O ATOM 0 H GLU A 24 -4.569 -2.174 7.095 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.470 0.203 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.043 -2.601 9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.920 -1.664 10.055 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.711 0.172 10.114 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.811 -1.007 9.429 1.00 0.00 H new ATOM 409 N THR A 25 -1.343 -2.319 7.848 1.00 0.00 N ATOM 410 CA THR A 25 0.069 -2.643 7.688 1.00 0.00 C ATOM 411 C THR A 25 0.655 -1.955 6.461 1.00 0.00 C ATOM 412 O THR A 25 1.754 -1.401 6.513 1.00 0.00 O ATOM 413 CB THR A 25 0.286 -4.163 7.563 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.208 -4.826 8.733 1.00 0.00 O ATOM 415 CG2 THR A 25 1.760 -4.485 7.376 1.00 0.00 C ATOM 0 H THR A 25 -1.959 -3.130 7.896 1.00 0.00 H new ATOM 0 HA THR A 25 0.579 -2.283 8.581 1.00 0.00 H new ATOM 0 HB THR A 25 -0.260 -4.515 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.068 -5.792 8.645 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.889 -5.564 7.290 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.126 -4.003 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.324 -4.120 8.234 1.00 0.00 H new ATOM 423 N LEU A 26 -0.084 -1.993 5.358 1.00 0.00 N ATOM 424 CA LEU A 26 0.363 -1.371 4.116 1.00 0.00 C ATOM 425 C LEU A 26 0.823 0.063 4.359 1.00 0.00 C ATOM 426 O LEU A 26 1.898 0.464 3.914 1.00 0.00 O ATOM 427 CB LEU A 26 -0.762 -1.390 3.080 1.00 0.00 C ATOM 428 CG LEU A 26 -0.465 -0.687 1.754 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.649 -1.403 1.008 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.721 -0.612 0.898 1.00 0.00 C ATOM 0 H LEU A 26 -0.995 -2.448 5.298 1.00 0.00 H new ATOM 0 HA LEU A 26 1.209 -1.944 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.017 -2.429 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.645 -0.929 3.523 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.135 0.329 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.846 -0.889 0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.553 -1.404 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.348 -2.430 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.492 -0.109 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.081 -1.620 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.491 -0.053 1.430 1.00 0.00 H new ATOM 442 N ARG A 27 0.001 0.829 5.069 1.00 0.00 N ATOM 443 CA ARG A 27 0.324 2.218 5.372 1.00 0.00 C ATOM 444 C ARG A 27 1.771 2.351 5.838 1.00 0.00 C ATOM 445 O ARG A 27 2.610 2.916 5.136 1.00 0.00 O ATOM 446 CB ARG A 27 -0.621 2.761 6.446 1.00 0.00 C ATOM 447 CG ARG A 27 -1.959 3.229 5.900 1.00 0.00 C ATOM 448 CD ARG A 27 -3.067 3.072 6.929 1.00 0.00 C ATOM 449 NE ARG A 27 -3.089 4.178 7.883 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.788 4.160 9.013 1.00 0.00 C ATOM 451 NH1 ARG A 27 -4.518 3.099 9.328 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.757 5.205 9.830 1.00 0.00 N ATOM 0 H ARG A 27 -0.893 0.512 5.445 1.00 0.00 H new ATOM 0 HA ARG A 27 0.199 2.801 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.794 1.985 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.136 3.592 6.958 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.885 4.274 5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.208 2.658 5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.029 3.013 6.420 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.933 2.133 7.466 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.538 5.009 7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.544 2.294 8.702 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.054 3.088 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.196 6.023 9.591 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.294 5.190 10.697 1.00 0.00 H new ATOM 466 N SER A 28 2.055 1.828 7.027 1.00 0.00 N ATOM 467 CA SER A 28 3.399 1.892 7.588 1.00 0.00 C ATOM 468 C SER A 28 4.439 1.456 6.561 1.00 0.00 C ATOM 469 O SER A 28 5.364 2.203 6.241 1.00 0.00 O ATOM 470 CB SER A 28 3.496 1.010 8.835 1.00 0.00 C ATOM 471 OG SER A 28 2.976 1.676 9.972 1.00 0.00 O ATOM 0 H SER A 28 1.372 1.356 7.620 1.00 0.00 H new ATOM 0 HA SER A 28 3.601 2.926 7.866 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.948 0.082 8.671 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.537 0.739 9.013 1.00 0.00 H new ATOM 0 HG SER A 28 3.048 1.091 10.755 1.00 0.00 H new ATOM 477 N TYR A 29 4.279 0.241 6.047 1.00 0.00 N ATOM 478 CA TYR A 29 5.205 -0.297 5.057 1.00 0.00 C ATOM 479 C TYR A 29 5.689 0.798 4.111 1.00 0.00 C ATOM 480 O TYR A 29 6.866 0.850 3.754 1.00 0.00 O ATOM 481 CB TYR A 29 4.535 -1.417 4.258 1.00 0.00 C ATOM 482 CG TYR A 29 5.418 -2.002 3.179 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.382 -2.955 3.483 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.287 -1.602 1.854 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.192 -3.491 2.501 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.091 -2.135 0.865 1.00 0.00 C ATOM 487 CZ TYR A 29 7.042 -3.078 1.193 1.00 0.00 C ATOM 488 OH TYR A 29 7.845 -3.612 0.211 1.00 0.00 O ATOM 0 H TYR A 29 3.518 -0.389 6.299 1.00 0.00 H new ATOM 0 HA TYR A 29 6.068 -0.702 5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.236 -2.211 4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.624 -1.031 3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.500 -3.283 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.544 -0.862 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.938 -4.229 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 29 5.975 -1.815 -0.160 1.00 0.00 H new ATOM 0 HH TYR A 29 8.173 -2.894 -0.370 1.00 0.00 H new ATOM 498 N PHE A 30 4.772 1.672 3.710 1.00 0.00 N ATOM 499 CA PHE A 30 5.104 2.767 2.806 1.00 0.00 C ATOM 500 C PHE A 30 5.514 4.012 3.587 1.00 0.00 C ATOM 501 O PHE A 30 6.323 4.813 3.119 1.00 0.00 O ATOM 502 CB PHE A 30 3.912 3.089 1.901 1.00 0.00 C ATOM 503 CG PHE A 30 3.902 2.303 0.621 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.771 2.621 -0.410 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.023 1.245 0.449 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.764 1.900 -1.589 1.00 0.00 C ATOM 507 CE2 PHE A 30 3.012 0.520 -0.727 1.00 0.00 C ATOM 508 CZ PHE A 30 3.883 0.848 -1.748 1.00 0.00 C ATOM 0 H PHE A 30 3.794 1.643 3.997 1.00 0.00 H new ATOM 0 HA PHE A 30 5.946 2.453 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.989 2.892 2.446 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.922 4.153 1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.462 3.442 -0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.339 0.985 1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.446 2.159 -2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.323 -0.303 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.875 0.283 -2.668 1.00 0.00 H new ATOM 518 N SER A 31 4.950 4.168 4.780 1.00 0.00 N ATOM 519 CA SER A 31 5.253 5.317 5.625 1.00 0.00 C ATOM 520 C SER A 31 6.759 5.474 5.808 1.00 0.00 C ATOM 521 O SER A 31 7.283 6.588 5.797 1.00 0.00 O ATOM 522 CB SER A 31 4.575 5.167 6.988 1.00 0.00 C ATOM 523 OG SER A 31 3.176 4.992 6.846 1.00 0.00 O ATOM 0 H SER A 31 4.280 3.513 5.184 1.00 0.00 H new ATOM 0 HA SER A 31 4.869 6.211 5.133 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.999 4.314 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.774 6.050 7.596 1.00 0.00 H new ATOM 0 HG SER A 31 2.767 4.897 7.731 1.00 0.00 H new ATOM 529 N GLN A 32 7.449 4.351 5.977 1.00 0.00 N ATOM 530 CA GLN A 32 8.895 4.363 6.163 1.00 0.00 C ATOM 531 C GLN A 32 9.578 5.173 5.066 1.00 0.00 C ATOM 532 O GLN A 32 10.685 5.680 5.252 1.00 0.00 O ATOM 533 CB GLN A 32 9.442 2.935 6.174 1.00 0.00 C ATOM 534 CG GLN A 32 8.816 2.036 5.120 1.00 0.00 C ATOM 535 CD GLN A 32 9.757 0.943 4.653 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.921 1.199 4.344 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.256 -0.286 4.600 1.00 0.00 N ATOM 0 H GLN A 32 7.030 3.421 5.989 1.00 0.00 H new ATOM 0 HA GLN A 32 9.108 4.833 7.123 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.520 2.967 6.019 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.274 2.498 7.158 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.911 1.583 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.514 2.641 4.265 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.285 -0.453 4.865 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.842 -1.063 4.294 1.00 0.00 H new ATOM 546 N TYR A 33 8.912 5.291 3.923 1.00 0.00 N ATOM 547 CA TYR A 33 9.457 6.037 2.795 1.00 0.00 C ATOM 548 C TYR A 33 8.884 7.450 2.749 1.00 0.00 C ATOM 549 O TYR A 33 9.625 8.431 2.693 1.00 0.00 O ATOM 550 CB TYR A 33 9.156 5.310 1.483 1.00 0.00 C ATOM 551 CG TYR A 33 9.757 3.925 1.406 1.00 0.00 C ATOM 552 CD1 TYR A 33 11.056 3.735 0.951 1.00 0.00 C ATOM 553 CD2 TYR A 33 9.027 2.807 1.789 1.00 0.00 C ATOM 554 CE1 TYR A 33 11.610 2.471 0.879 1.00 0.00 C ATOM 555 CE2 TYR A 33 9.573 1.540 1.722 1.00 0.00 C ATOM 556 CZ TYR A 33 10.864 1.377 1.265 1.00 0.00 C ATOM 557 OH TYR A 33 11.412 0.117 1.196 1.00 0.00 O ATOM 0 H TYR A 33 7.994 4.880 3.753 1.00 0.00 H new ATOM 0 HA TYR A 33 10.537 6.106 2.925 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.076 5.235 1.358 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.532 5.907 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 33 11.643 4.590 0.648 1.00 0.00 H new ATOM 0 HD2 TYR A 33 8.015 2.931 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 33 12.621 2.341 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.992 0.682 2.026 1.00 0.00 H new ATOM 0 HH TYR A 33 10.756 -0.542 1.505 1.00 0.00 H new ATOM 567 N GLY A 34 7.558 7.546 2.774 1.00 0.00 N ATOM 568 CA GLY A 34 6.907 8.842 2.735 1.00 0.00 C ATOM 569 C GLY A 34 5.682 8.903 3.626 1.00 0.00 C ATOM 570 O GLY A 34 4.960 7.917 3.767 1.00 0.00 O ATOM 0 H GLY A 34 6.923 6.749 2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.616 9.610 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.618 9.069 1.709 1.00 0.00 H new ATOM 574 N GLU A 35 5.449 10.064 4.231 1.00 0.00 N ATOM 575 CA GLU A 35 4.305 10.247 5.116 1.00 0.00 C ATOM 576 C GLU A 35 3.013 9.803 4.434 1.00 0.00 C ATOM 577 O GLU A 35 2.467 10.515 3.592 1.00 0.00 O ATOM 578 CB GLU A 35 4.191 11.712 5.543 1.00 0.00 C ATOM 579 CG GLU A 35 2.833 12.075 6.119 1.00 0.00 C ATOM 580 CD GLU A 35 2.914 13.183 7.151 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.819 14.035 7.037 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.071 13.196 8.073 1.00 0.00 O ATOM 0 H GLU A 35 6.037 10.891 4.124 1.00 0.00 H new ATOM 0 HA GLU A 35 4.460 9.629 6.000 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.960 11.926 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.393 12.349 4.682 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.171 12.384 5.311 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.388 11.191 6.575 1.00 0.00 H new ATOM 589 N VAL A 36 2.532 8.621 4.804 1.00 0.00 N ATOM 590 CA VAL A 36 1.305 8.081 4.230 1.00 0.00 C ATOM 591 C VAL A 36 0.092 8.899 4.658 1.00 0.00 C ATOM 592 O VAL A 36 -0.230 8.977 5.844 1.00 0.00 O ATOM 593 CB VAL A 36 1.092 6.612 4.640 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.288 6.134 4.215 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.178 5.730 4.044 1.00 0.00 C ATOM 0 H VAL A 36 2.973 8.019 5.499 1.00 0.00 H new ATOM 0 HA VAL A 36 1.412 8.135 3.147 1.00 0.00 H new ATOM 0 HB VAL A 36 1.155 6.543 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.421 5.094 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.050 6.749 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.384 6.216 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.012 4.695 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.149 5.802 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.153 6.060 4.403 1.00 0.00 H new ATOM 605 N VAL A 37 -0.580 9.506 3.685 1.00 0.00 N ATOM 606 CA VAL A 37 -1.760 10.317 3.961 1.00 0.00 C ATOM 607 C VAL A 37 -3.024 9.465 3.961 1.00 0.00 C ATOM 608 O VAL A 37 -3.881 9.609 4.833 1.00 0.00 O ATOM 609 CB VAL A 37 -1.917 11.449 2.929 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.807 12.553 3.478 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.555 12.000 2.531 1.00 0.00 C ATOM 0 H VAL A 37 -0.327 9.451 2.698 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.620 10.754 4.950 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.393 11.040 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.906 13.344 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.792 12.146 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.362 12.962 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.685 12.799 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.050 12.393 3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.046 11.203 2.093 1.00 0.00 H new ATOM 621 N ASP A 38 -3.133 8.578 2.979 1.00 0.00 N ATOM 622 CA ASP A 38 -4.292 7.700 2.866 1.00 0.00 C ATOM 623 C ASP A 38 -3.952 6.452 2.059 1.00 0.00 C ATOM 624 O ASP A 38 -3.273 6.529 1.034 1.00 0.00 O ATOM 625 CB ASP A 38 -5.459 8.443 2.213 1.00 0.00 C ATOM 626 CG ASP A 38 -6.806 7.947 2.700 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.076 6.734 2.566 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.590 8.770 3.215 1.00 0.00 O ATOM 0 H ASP A 38 -2.433 8.448 2.249 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.583 7.392 3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.370 9.509 2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.401 8.325 1.131 1.00 0.00 H new ATOM 633 N CYS A 39 -4.427 5.303 2.527 1.00 0.00 N ATOM 634 CA CYS A 39 -4.171 4.037 1.850 1.00 0.00 C ATOM 635 C CYS A 39 -5.478 3.376 1.423 1.00 0.00 C ATOM 636 O CYS A 39 -6.505 3.520 2.086 1.00 0.00 O ATOM 637 CB CYS A 39 -3.384 3.096 2.762 1.00 0.00 C ATOM 638 SG CYS A 39 -4.418 2.052 3.816 1.00 0.00 S ATOM 0 H CYS A 39 -4.992 5.222 3.373 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.580 4.243 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.750 2.458 2.147 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.722 3.689 3.394 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.666 1.226 4.480 1.00 0.00 H new ATOM 644 N VAL A 40 -5.431 2.650 0.309 1.00 0.00 N ATOM 645 CA VAL A 40 -6.611 1.967 -0.207 1.00 0.00 C ATOM 646 C VAL A 40 -6.248 0.604 -0.785 1.00 0.00 C ATOM 647 O VAL A 40 -5.214 0.450 -1.436 1.00 0.00 O ATOM 648 CB VAL A 40 -7.313 2.803 -1.294 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.664 2.198 -1.644 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.467 4.246 -0.839 1.00 0.00 C ATOM 0 H VAL A 40 -4.589 2.520 -0.252 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.292 1.832 0.634 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.695 2.793 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.145 2.802 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.523 1.183 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.294 2.175 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.965 4.822 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.063 4.278 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.483 4.673 -0.644 1.00 0.00 H new ATOM 660 N ILE A 41 -7.105 -0.383 -0.543 1.00 0.00 N ATOM 661 CA ILE A 41 -6.874 -1.733 -1.041 1.00 0.00 C ATOM 662 C ILE A 41 -8.085 -2.249 -1.812 1.00 0.00 C ATOM 663 O ILE A 41 -9.073 -2.680 -1.218 1.00 0.00 O ATOM 664 CB ILE A 41 -6.556 -2.710 0.106 1.00 0.00 C ATOM 665 CG1 ILE A 41 -5.199 -2.375 0.729 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.573 -4.145 -0.399 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.742 -3.383 1.760 1.00 0.00 C ATOM 0 H ILE A 41 -7.965 -0.273 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.015 -1.680 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.323 -2.607 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.451 -2.311 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.255 -1.391 1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.346 -4.823 0.424 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.559 -4.378 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.825 -4.264 -1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.773 -3.082 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.470 -3.430 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.653 -4.365 1.295 1.00 0.00 H new ATOM 679 N MET A 42 -8.000 -2.202 -3.137 1.00 0.00 N ATOM 680 CA MET A 42 -9.087 -2.668 -3.989 1.00 0.00 C ATOM 681 C MET A 42 -9.537 -4.067 -3.581 1.00 0.00 C ATOM 682 O MET A 42 -8.721 -4.906 -3.198 1.00 0.00 O ATOM 683 CB MET A 42 -8.651 -2.667 -5.456 1.00 0.00 C ATOM 684 CG MET A 42 -8.271 -1.290 -5.976 1.00 0.00 C ATOM 685 SD MET A 42 -9.695 -0.198 -6.153 1.00 0.00 S ATOM 686 CE MET A 42 -9.577 0.759 -4.643 1.00 0.00 C ATOM 0 H MET A 42 -7.190 -1.846 -3.644 1.00 0.00 H new ATOM 0 HA MET A 42 -9.928 -1.985 -3.867 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.801 -3.338 -5.574 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.460 -3.067 -6.067 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.551 -0.835 -5.296 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.776 -1.394 -6.941 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.578 0.990 -4.280 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.041 0.183 -3.888 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.040 1.686 -4.841 1.00 0.00 H new ATOM 696 N LYS A 43 -10.840 -4.313 -3.666 1.00 0.00 N ATOM 697 CA LYS A 43 -11.399 -5.611 -3.306 1.00 0.00 C ATOM 698 C LYS A 43 -12.352 -6.111 -4.387 1.00 0.00 C ATOM 699 O LYS A 43 -12.913 -5.321 -5.147 1.00 0.00 O ATOM 700 CB LYS A 43 -12.132 -5.520 -1.966 1.00 0.00 C ATOM 701 CG LYS A 43 -11.248 -5.820 -0.768 1.00 0.00 C ATOM 702 CD LYS A 43 -11.684 -5.033 0.457 1.00 0.00 C ATOM 703 CE LYS A 43 -10.546 -4.876 1.453 1.00 0.00 C ATOM 704 NZ LYS A 43 -11.040 -4.494 2.805 1.00 0.00 N ATOM 0 H LYS A 43 -11.529 -3.630 -3.981 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.577 -6.321 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.550 -4.519 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.970 -6.217 -1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.282 -6.887 -0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.213 -5.577 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.039 -4.049 0.151 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.522 -5.539 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.991 -5.812 1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.850 -4.118 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.234 -4.397 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.548 -3.588 2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.684 -5.230 3.160 1.00 0.00 H new ATOM 718 N ASP A 44 -12.533 -7.426 -4.448 1.00 0.00 N ATOM 719 CA ASP A 44 -13.421 -8.031 -5.434 1.00 0.00 C ATOM 720 C ASP A 44 -14.817 -7.423 -5.353 1.00 0.00 C ATOM 721 O ASP A 44 -15.181 -6.807 -4.350 1.00 0.00 O ATOM 722 CB ASP A 44 -13.497 -9.544 -5.223 1.00 0.00 C ATOM 723 CG ASP A 44 -14.303 -10.239 -6.303 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.420 -9.676 -7.411 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.818 -11.346 -6.039 1.00 0.00 O ATOM 0 H ASP A 44 -12.076 -8.093 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.014 -7.830 -6.425 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.488 -9.956 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.944 -9.750 -4.250 1.00 0.00 H new ATOM 730 N LYS A 45 -15.596 -7.598 -6.415 1.00 0.00 N ATOM 731 CA LYS A 45 -16.954 -7.068 -6.465 1.00 0.00 C ATOM 732 C LYS A 45 -17.934 -8.015 -5.781 1.00 0.00 C ATOM 733 O LYS A 45 -19.016 -7.608 -5.358 1.00 0.00 O ATOM 734 CB LYS A 45 -17.379 -6.836 -7.916 1.00 0.00 C ATOM 735 CG LYS A 45 -16.987 -7.966 -8.853 1.00 0.00 C ATOM 736 CD LYS A 45 -17.619 -7.798 -10.224 1.00 0.00 C ATOM 737 CE LYS A 45 -17.325 -8.989 -11.123 1.00 0.00 C ATOM 738 NZ LYS A 45 -16.037 -8.830 -11.853 1.00 0.00 N ATOM 0 H LYS A 45 -15.310 -8.103 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.966 -6.117 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.460 -6.704 -7.952 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.932 -5.908 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.902 -7.997 -8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.295 -8.919 -8.424 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.697 -7.679 -10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -17.243 -6.887 -10.690 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.292 -9.898 -10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.136 -9.111 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.874 -9.663 -12.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.077 -7.977 -12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.259 -8.739 -11.169 1.00 0.00 H new ATOM 752 N THR A 46 -17.548 -9.283 -5.674 1.00 0.00 N ATOM 753 CA THR A 46 -18.392 -10.289 -5.042 1.00 0.00 C ATOM 754 C THR A 46 -17.750 -10.823 -3.767 1.00 0.00 C ATOM 755 O THR A 46 -18.378 -10.855 -2.708 1.00 0.00 O ATOM 756 CB THR A 46 -18.673 -11.466 -5.995 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.431 -11.014 -7.122 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.431 -12.573 -5.278 1.00 0.00 C ATOM 0 H THR A 46 -16.655 -9.637 -6.017 1.00 0.00 H new ATOM 0 HA THR A 46 -19.334 -9.800 -4.793 1.00 0.00 H new ATOM 0 HB THR A 46 -17.718 -11.864 -6.337 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.604 -11.768 -7.724 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.618 -13.393 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.838 -12.935 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.381 -12.185 -4.910 1.00 0.00 H new ATOM 766 N THR A 47 -16.493 -11.243 -3.874 1.00 0.00 N ATOM 767 CA THR A 47 -15.765 -11.777 -2.730 1.00 0.00 C ATOM 768 C THR A 47 -15.311 -10.660 -1.797 1.00 0.00 C ATOM 769 O THR A 47 -14.996 -10.901 -0.633 1.00 0.00 O ATOM 770 CB THR A 47 -14.535 -12.589 -3.176 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.786 -13.202 -4.446 1.00 0.00 O ATOM 772 CG2 THR A 47 -14.192 -13.659 -2.150 1.00 0.00 C ATOM 0 H THR A 47 -15.958 -11.223 -4.742 1.00 0.00 H new ATOM 0 HA THR A 47 -16.452 -12.435 -2.198 1.00 0.00 H new ATOM 0 HB THR A 47 -13.689 -11.907 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.351 -12.681 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.320 -14.220 -2.487 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.973 -13.188 -1.192 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.037 -14.337 -2.035 1.00 0.00 H new ATOM 780 N ASN A 48 -15.281 -9.437 -2.317 1.00 0.00 N ATOM 781 CA ASN A 48 -14.866 -8.282 -1.529 1.00 0.00 C ATOM 782 C ASN A 48 -13.788 -8.670 -0.522 1.00 0.00 C ATOM 783 O ASN A 48 -13.818 -8.238 0.630 1.00 0.00 O ATOM 784 CB ASN A 48 -16.067 -7.677 -0.799 1.00 0.00 C ATOM 785 CG ASN A 48 -16.785 -6.634 -1.634 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.249 -5.557 -1.896 1.00 0.00 O ATOM 787 ND2 ASN A 48 -18.004 -6.949 -2.055 1.00 0.00 N ATOM 0 H ASN A 48 -15.539 -9.220 -3.280 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.452 -7.539 -2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.766 -8.471 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.731 -7.224 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.536 -6.286 -2.620 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -18.409 -7.854 -1.814 1.00 0.00 H new ATOM 794 N GLN A 49 -12.837 -9.485 -0.966 1.00 0.00 N ATOM 795 CA GLN A 49 -11.749 -9.931 -0.103 1.00 0.00 C ATOM 796 C GLN A 49 -10.467 -9.160 -0.400 1.00 0.00 C ATOM 797 O GLN A 49 -10.018 -8.348 0.408 1.00 0.00 O ATOM 798 CB GLN A 49 -11.510 -11.431 -0.282 1.00 0.00 C ATOM 799 CG GLN A 49 -12.408 -12.299 0.585 1.00 0.00 C ATOM 800 CD GLN A 49 -11.852 -12.502 1.980 1.00 0.00 C ATOM 801 OE1 GLN A 49 -11.686 -11.547 2.740 1.00 0.00 O ATOM 802 NE2 GLN A 49 -11.562 -13.750 2.326 1.00 0.00 N ATOM 0 H GLN A 49 -12.797 -9.850 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 49 -12.036 -9.737 0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.666 -11.693 -1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.469 -11.655 -0.050 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.394 -11.840 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.541 -13.269 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.715 -14.511 1.665 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -11.186 -13.948 3.253 1.00 0.00 H new ATOM 811 N SER A 50 -9.883 -9.420 -1.566 1.00 0.00 N ATOM 812 CA SER A 50 -8.650 -8.754 -1.968 1.00 0.00 C ATOM 813 C SER A 50 -8.237 -9.179 -3.374 1.00 0.00 C ATOM 814 O SER A 50 -7.851 -10.326 -3.599 1.00 0.00 O ATOM 815 CB SER A 50 -7.528 -9.069 -0.977 1.00 0.00 C ATOM 816 OG SER A 50 -7.518 -10.445 -0.639 1.00 0.00 O ATOM 0 H SER A 50 -10.244 -10.087 -2.248 1.00 0.00 H new ATOM 0 HA SER A 50 -8.831 -7.679 -1.970 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.567 -8.791 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.656 -8.471 -0.075 1.00 0.00 H new ATOM 0 HG SER A 50 -7.623 -10.982 -1.452 1.00 0.00 H new ATOM 822 N ARG A 51 -8.322 -8.245 -4.316 1.00 0.00 N ATOM 823 CA ARG A 51 -7.958 -8.522 -5.701 1.00 0.00 C ATOM 824 C ARG A 51 -6.450 -8.701 -5.841 1.00 0.00 C ATOM 825 O ARG A 51 -5.983 -9.574 -6.573 1.00 0.00 O ATOM 826 CB ARG A 51 -8.435 -7.389 -6.612 1.00 0.00 C ATOM 827 CG ARG A 51 -9.877 -7.541 -7.068 1.00 0.00 C ATOM 828 CD ARG A 51 -10.543 -6.188 -7.269 1.00 0.00 C ATOM 829 NE ARG A 51 -10.340 -5.673 -8.620 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.072 -4.702 -9.154 1.00 0.00 C ATOM 831 NH1 ARG A 51 -12.050 -4.143 -8.454 1.00 0.00 N ATOM 832 NH2 ARG A 51 -10.826 -4.287 -10.390 1.00 0.00 N ATOM 0 H ARG A 51 -8.639 -7.291 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.446 -9.450 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.327 -6.441 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.789 -7.342 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.907 -8.105 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.435 -8.116 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.611 -6.277 -7.072 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.144 -5.477 -6.546 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.595 -6.081 -9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.241 -4.459 -7.503 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.611 -3.397 -8.866 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.074 -4.714 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.389 -3.541 -10.799 1.00 0.00 H new ATOM 846 N GLY A 52 -5.691 -7.868 -5.135 1.00 0.00 N ATOM 847 CA GLY A 52 -4.244 -7.950 -5.196 1.00 0.00 C ATOM 848 C GLY A 52 -3.606 -6.647 -5.634 1.00 0.00 C ATOM 849 O GLY A 52 -2.592 -6.647 -6.332 1.00 0.00 O ATOM 0 H GLY A 52 -6.053 -7.138 -4.522 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.858 -8.228 -4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.957 -8.742 -5.888 1.00 0.00 H new ATOM 853 N PHE A 53 -4.203 -5.532 -5.226 1.00 0.00 N ATOM 854 CA PHE A 53 -3.689 -4.215 -5.584 1.00 0.00 C ATOM 855 C PHE A 53 -4.454 -3.115 -4.853 1.00 0.00 C ATOM 856 O PHE A 53 -5.588 -3.316 -4.420 1.00 0.00 O ATOM 857 CB PHE A 53 -3.784 -4.000 -7.095 1.00 0.00 C ATOM 858 CG PHE A 53 -5.180 -3.719 -7.574 1.00 0.00 C ATOM 859 CD1 PHE A 53 -6.221 -4.575 -7.255 1.00 0.00 C ATOM 860 CD2 PHE A 53 -5.450 -2.598 -8.343 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.506 -4.319 -7.695 1.00 0.00 C ATOM 862 CE2 PHE A 53 -6.734 -2.337 -8.785 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.763 -3.198 -8.460 1.00 0.00 C ATOM 0 H PHE A 53 -5.043 -5.514 -4.647 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.643 -4.167 -5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.137 -3.169 -7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.405 -4.886 -7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.027 -5.452 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.649 -1.921 -8.600 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -8.309 -4.995 -7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.932 -1.460 -9.384 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.767 -2.996 -8.803 1.00 0.00 H new ATOM 873 N GLY A 54 -3.824 -1.952 -4.719 1.00 0.00 N ATOM 874 CA GLY A 54 -4.459 -0.838 -4.039 1.00 0.00 C ATOM 875 C GLY A 54 -3.844 0.496 -4.413 1.00 0.00 C ATOM 876 O GLY A 54 -3.532 0.739 -5.579 1.00 0.00 O ATOM 0 H GLY A 54 -2.885 -1.761 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.521 -0.826 -4.282 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.380 -0.982 -2.961 1.00 0.00 H new ATOM 880 N PHE A 55 -3.668 1.363 -3.421 1.00 0.00 N ATOM 881 CA PHE A 55 -3.088 2.681 -3.652 1.00 0.00 C ATOM 882 C PHE A 55 -2.475 3.237 -2.370 1.00 0.00 C ATOM 883 O PHE A 55 -2.636 2.665 -1.292 1.00 0.00 O ATOM 884 CB PHE A 55 -4.153 3.644 -4.182 1.00 0.00 C ATOM 885 CG PHE A 55 -4.767 3.204 -5.480 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.889 2.391 -5.490 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.223 3.604 -6.690 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.455 1.983 -6.683 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.786 3.200 -7.886 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.904 2.390 -7.882 1.00 0.00 C ATOM 0 H PHE A 55 -3.919 1.177 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.298 2.578 -4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.940 3.750 -3.435 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.706 4.629 -4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.326 2.073 -4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.349 4.239 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.327 1.346 -6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.352 3.518 -8.822 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.347 2.075 -8.815 1.00 0.00 H new ATOM 900 N VAL A 56 -1.771 4.358 -2.496 1.00 0.00 N ATOM 901 CA VAL A 56 -1.134 4.993 -1.349 1.00 0.00 C ATOM 902 C VAL A 56 -0.834 6.461 -1.630 1.00 0.00 C ATOM 903 O VAL A 56 -0.113 6.790 -2.572 1.00 0.00 O ATOM 904 CB VAL A 56 0.175 4.277 -0.966 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.862 4.999 0.183 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.099 2.824 -0.606 1.00 0.00 C ATOM 0 H VAL A 56 -1.628 4.845 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.835 4.921 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 56 0.844 4.295 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.785 4.479 0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.093 6.021 -0.116 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.201 5.015 1.050 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.836 2.333 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.786 2.782 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.544 2.315 -1.461 1.00 0.00 H new ATOM 916 N LYS A 57 -1.391 7.341 -0.805 1.00 0.00 N ATOM 917 CA LYS A 57 -1.183 8.776 -0.962 1.00 0.00 C ATOM 918 C LYS A 57 0.007 9.247 -0.132 1.00 0.00 C ATOM 919 O LYS A 57 0.267 8.723 0.952 1.00 0.00 O ATOM 920 CB LYS A 57 -2.441 9.543 -0.550 1.00 0.00 C ATOM 921 CG LYS A 57 -2.631 10.848 -1.303 1.00 0.00 C ATOM 922 CD LYS A 57 -3.665 11.735 -0.630 1.00 0.00 C ATOM 923 CE LYS A 57 -3.675 13.133 -1.228 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.622 13.240 -2.372 1.00 0.00 N ATOM 0 H LYS A 57 -1.990 7.086 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.972 8.974 -2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.313 8.909 -0.713 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.395 9.753 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.680 11.377 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.942 10.637 -2.326 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.653 11.287 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.454 11.796 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.951 13.855 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.670 13.392 -1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.600 14.208 -2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.344 12.569 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.585 13.018 -2.048 1.00 0.00 H new ATOM 938 N PHE A 58 0.726 10.239 -0.646 1.00 0.00 N ATOM 939 CA PHE A 58 1.888 10.781 0.048 1.00 0.00 C ATOM 940 C PHE A 58 1.768 12.294 0.210 1.00 0.00 C ATOM 941 O PHE A 58 1.609 13.024 -0.769 1.00 0.00 O ATOM 942 CB PHE A 58 3.170 10.438 -0.713 1.00 0.00 C ATOM 943 CG PHE A 58 3.639 9.028 -0.492 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.425 8.709 0.603 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.293 8.022 -1.380 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.858 7.413 0.808 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.723 6.724 -1.180 1.00 0.00 C ATOM 948 CZ PHE A 58 4.506 6.419 -0.083 1.00 0.00 C ATOM 0 H PHE A 58 0.524 10.684 -1.541 1.00 0.00 H new ATOM 0 HA PHE A 58 1.931 10.329 1.039 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.003 10.594 -1.779 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.959 11.127 -0.409 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.703 9.482 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.680 8.255 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.472 7.178 1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.448 5.949 -1.880 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.842 5.405 0.077 1.00 0.00 H new ATOM 958 N LYS A 59 1.846 12.759 1.452 1.00 0.00 N ATOM 959 CA LYS A 59 1.747 14.184 1.744 1.00 0.00 C ATOM 960 C LYS A 59 2.389 15.012 0.636 1.00 0.00 C ATOM 961 O LYS A 59 1.853 16.043 0.229 1.00 0.00 O ATOM 962 CB LYS A 59 2.418 14.498 3.084 1.00 0.00 C ATOM 963 CG LYS A 59 2.086 15.880 3.620 1.00 0.00 C ATOM 964 CD LYS A 59 2.180 15.927 5.136 1.00 0.00 C ATOM 965 CE LYS A 59 2.350 17.352 5.640 1.00 0.00 C ATOM 966 NZ LYS A 59 1.039 18.035 5.823 1.00 0.00 N ATOM 0 H LYS A 59 1.978 12.169 2.274 1.00 0.00 H new ATOM 0 HA LYS A 59 0.690 14.445 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.115 13.750 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.498 14.412 2.969 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.769 16.612 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.080 16.160 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.281 15.491 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.022 15.320 5.468 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.889 17.340 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.959 17.917 4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.197 19.004 6.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.535 18.069 4.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.468 17.510 6.516 1.00 0.00 H new ATOM 980 N ASP A 60 3.537 14.553 0.150 1.00 0.00 N ATOM 981 CA ASP A 60 4.250 15.251 -0.914 1.00 0.00 C ATOM 982 C ASP A 60 4.504 14.322 -2.097 1.00 0.00 C ATOM 983 O ASP A 60 4.789 13.135 -1.937 1.00 0.00 O ATOM 984 CB ASP A 60 5.576 15.805 -0.391 1.00 0.00 C ATOM 985 CG ASP A 60 5.442 17.215 0.149 1.00 0.00 C ATOM 986 OD1 ASP A 60 4.491 17.916 -0.256 1.00 0.00 O ATOM 987 OD2 ASP A 60 6.288 17.618 0.975 1.00 0.00 O ATOM 0 H ASP A 60 3.994 13.701 0.476 1.00 0.00 H new ATOM 0 HA ASP A 60 3.628 16.080 -1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.954 15.152 0.396 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.313 15.795 -1.194 1.00 0.00 H new ATOM 992 N PRO A 61 4.399 14.873 -3.316 1.00 0.00 N ATOM 993 CA PRO A 61 4.612 14.112 -4.550 1.00 0.00 C ATOM 994 C PRO A 61 6.074 13.723 -4.745 1.00 0.00 C ATOM 995 O PRO A 61 6.436 13.122 -5.756 1.00 0.00 O ATOM 996 CB PRO A 61 4.166 15.082 -5.647 1.00 0.00 C ATOM 997 CG PRO A 61 4.345 16.436 -5.051 1.00 0.00 C ATOM 998 CD PRO A 61 4.063 16.282 -3.582 1.00 0.00 C ATOM 0 HA PRO A 61 4.064 13.170 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.767 14.964 -6.549 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.128 14.908 -5.931 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.357 16.805 -5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.664 17.156 -5.506 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.671 16.960 -2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.020 16.498 -3.348 1.00 0.00 H new ATOM 1006 N ASN A 62 6.909 14.070 -3.771 1.00 0.00 N ATOM 1007 CA ASN A 62 8.332 13.756 -3.837 1.00 0.00 C ATOM 1008 C ASN A 62 8.611 12.372 -3.260 1.00 0.00 C ATOM 1009 O ASN A 62 9.576 11.711 -3.644 1.00 0.00 O ATOM 1010 CB ASN A 62 9.143 14.810 -3.079 1.00 0.00 C ATOM 1011 CG ASN A 62 10.585 14.874 -3.545 1.00 0.00 C ATOM 1012 OD1 ASN A 62 11.295 13.869 -3.541 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.023 16.061 -3.949 1.00 0.00 N ATOM 0 H ASN A 62 6.625 14.568 -2.927 1.00 0.00 H new ATOM 0 HA ASN A 62 8.632 13.760 -4.885 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.678 15.787 -3.211 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.118 14.586 -2.013 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.984 16.167 -4.273 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.398 16.867 -3.935 1.00 0.00 H new ATOM 1020 N CYS A 63 7.760 11.939 -2.336 1.00 0.00 N ATOM 1021 CA CYS A 63 7.915 10.633 -1.705 1.00 0.00 C ATOM 1022 C CYS A 63 7.705 9.512 -2.718 1.00 0.00 C ATOM 1023 O CYS A 63 8.377 8.482 -2.668 1.00 0.00 O ATOM 1024 CB CYS A 63 6.927 10.483 -0.547 1.00 0.00 C ATOM 1025 SG CYS A 63 7.341 11.470 0.910 1.00 0.00 S ATOM 0 H CYS A 63 6.956 12.473 -2.007 1.00 0.00 H new ATOM 0 HA CYS A 63 8.931 10.562 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.933 10.765 -0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.878 9.433 -0.259 1.00 0.00 H new ATOM 0 HG CYS A 63 6.424 11.310 1.817 1.00 0.00 H new ATOM 1031 N VAL A 64 6.766 9.719 -3.636 1.00 0.00 N ATOM 1032 CA VAL A 64 6.466 8.726 -4.660 1.00 0.00 C ATOM 1033 C VAL A 64 7.740 8.236 -5.340 1.00 0.00 C ATOM 1034 O VAL A 64 7.980 7.034 -5.439 1.00 0.00 O ATOM 1035 CB VAL A 64 5.512 9.292 -5.729 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.221 8.245 -6.793 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.224 9.782 -5.086 1.00 0.00 C ATOM 0 H VAL A 64 6.200 10.566 -3.691 1.00 0.00 H new ATOM 0 HA VAL A 64 5.981 7.890 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 64 5.997 10.141 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.546 8.663 -7.539 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.153 7.946 -7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.756 7.375 -6.330 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.561 10.179 -5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.733 8.953 -4.577 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.453 10.566 -4.365 1.00 0.00 H new ATOM 1047 N GLY A 65 8.554 9.178 -5.807 1.00 0.00 N ATOM 1048 CA GLY A 65 9.795 8.822 -6.472 1.00 0.00 C ATOM 1049 C GLY A 65 10.716 8.010 -5.584 1.00 0.00 C ATOM 1050 O GLY A 65 11.145 6.917 -5.956 1.00 0.00 O ATOM 0 H GLY A 65 8.377 10.180 -5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.570 8.253 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.308 9.730 -6.788 1.00 0.00 H new ATOM 1054 N THR A 66 11.023 8.544 -4.406 1.00 0.00 N ATOM 1055 CA THR A 66 11.902 7.862 -3.464 1.00 0.00 C ATOM 1056 C THR A 66 11.588 6.372 -3.399 1.00 0.00 C ATOM 1057 O THR A 66 12.491 5.535 -3.427 1.00 0.00 O ATOM 1058 CB THR A 66 11.783 8.463 -2.050 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.304 9.797 -2.039 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.533 7.612 -1.036 1.00 0.00 C ATOM 0 H THR A 66 10.676 9.447 -4.082 1.00 0.00 H new ATOM 0 HA THR A 66 12.921 8.000 -3.825 1.00 0.00 H new ATOM 0 HB THR A 66 10.728 8.483 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.223 10.172 -1.137 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.435 8.056 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.115 6.605 -1.026 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.587 7.564 -1.310 1.00 0.00 H new ATOM 1068 N VAL A 67 10.303 6.046 -3.312 1.00 0.00 N ATOM 1069 CA VAL A 67 9.870 4.655 -3.245 1.00 0.00 C ATOM 1070 C VAL A 67 10.084 3.948 -4.579 1.00 0.00 C ATOM 1071 O VAL A 67 10.543 2.805 -4.621 1.00 0.00 O ATOM 1072 CB VAL A 67 8.384 4.548 -2.853 1.00 0.00 C ATOM 1073 CG1 VAL A 67 7.957 3.090 -2.770 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.129 5.262 -1.534 1.00 0.00 C ATOM 0 H VAL A 67 9.543 6.726 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 67 10.476 4.171 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 67 7.787 5.033 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.905 3.034 -2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.102 2.613 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.558 2.577 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.074 5.177 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.735 4.807 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.394 6.315 -1.633 1.00 0.00 H new ATOM 1084 N LEU A 68 9.750 4.634 -5.666 1.00 0.00 N ATOM 1085 CA LEU A 68 9.906 4.072 -7.003 1.00 0.00 C ATOM 1086 C LEU A 68 11.330 3.570 -7.220 1.00 0.00 C ATOM 1087 O LEU A 68 11.542 2.420 -7.605 1.00 0.00 O ATOM 1088 CB LEU A 68 9.555 5.118 -8.062 1.00 0.00 C ATOM 1089 CG LEU A 68 8.072 5.469 -8.194 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.881 6.622 -9.166 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.275 4.253 -8.643 1.00 0.00 C ATOM 0 H LEU A 68 9.369 5.580 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 68 9.224 3.227 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.105 6.032 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.911 4.761 -9.028 1.00 0.00 H new ATOM 0 HG LEU A 68 7.703 5.780 -7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.820 6.858 -9.247 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.420 7.497 -8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.266 6.339 -10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.222 4.521 -8.732 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.645 3.912 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.386 3.454 -7.910 1.00 0.00 H new ATOM 1103 N ALA A 69 12.303 4.439 -6.968 1.00 0.00 N ATOM 1104 CA ALA A 69 13.707 4.083 -7.132 1.00 0.00 C ATOM 1105 C ALA A 69 14.058 2.846 -6.313 1.00 0.00 C ATOM 1106 O ALA A 69 14.882 2.029 -6.726 1.00 0.00 O ATOM 1107 CB ALA A 69 14.597 5.251 -6.735 1.00 0.00 C ATOM 0 H ALA A 69 12.145 5.395 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 69 13.878 3.851 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.643 4.971 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.372 6.111 -7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.415 5.509 -5.692 1.00 0.00 H new ATOM 1113 N SER A 70 13.429 2.713 -5.150 1.00 0.00 N ATOM 1114 CA SER A 70 13.679 1.577 -4.270 1.00 0.00 C ATOM 1115 C SER A 70 13.257 0.271 -4.937 1.00 0.00 C ATOM 1116 O SER A 70 13.834 -0.785 -4.679 1.00 0.00 O ATOM 1117 CB SER A 70 12.929 1.753 -2.948 1.00 0.00 C ATOM 1118 OG SER A 70 13.455 0.900 -1.946 1.00 0.00 O ATOM 0 H SER A 70 12.742 3.378 -4.795 1.00 0.00 H new ATOM 0 HA SER A 70 14.749 1.534 -4.069 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.000 2.790 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.871 1.537 -3.095 1.00 0.00 H new ATOM 0 HG SER A 70 12.960 1.032 -1.111 1.00 0.00 H new ATOM 1124 N ARG A 71 12.246 0.352 -5.796 1.00 0.00 N ATOM 1125 CA ARG A 71 11.745 -0.822 -6.499 1.00 0.00 C ATOM 1126 C ARG A 71 12.891 -1.745 -6.903 1.00 0.00 C ATOM 1127 O ARG A 71 14.016 -1.307 -7.147 1.00 0.00 O ATOM 1128 CB ARG A 71 10.953 -0.402 -7.739 1.00 0.00 C ATOM 1129 CG ARG A 71 9.645 0.302 -7.417 1.00 0.00 C ATOM 1130 CD ARG A 71 8.912 0.721 -8.681 1.00 0.00 C ATOM 1131 NE ARG A 71 9.621 1.777 -9.400 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.351 2.121 -10.654 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.393 1.496 -11.325 1.00 0.00 N ATOM 1134 NH2 ARG A 71 10.040 3.092 -11.240 1.00 0.00 N ATOM 0 H ARG A 71 11.758 1.219 -6.022 1.00 0.00 H new ATOM 0 HA ARG A 71 11.086 -1.365 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.571 0.258 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.742 -1.286 -8.341 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.009 -0.360 -6.829 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.845 1.180 -6.803 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.791 -0.144 -9.333 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.911 1.067 -8.422 1.00 0.00 H new ATOM 0 HE ARG A 71 10.364 2.277 -8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.861 0.749 -10.878 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.188 1.762 -12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.778 3.575 -10.727 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.832 3.355 -12.203 1.00 0.00 H new ATOM 1148 N PRO A 72 12.602 -3.052 -6.974 1.00 0.00 N ATOM 1149 CA PRO A 72 11.267 -3.585 -6.685 1.00 0.00 C ATOM 1150 C PRO A 72 10.912 -3.487 -5.205 1.00 0.00 C ATOM 1151 O PRO A 72 11.668 -2.927 -4.411 1.00 0.00 O ATOM 1152 CB PRO A 72 11.369 -5.050 -7.115 1.00 0.00 C ATOM 1153 CG PRO A 72 12.818 -5.378 -7.004 1.00 0.00 C ATOM 1154 CD PRO A 72 13.556 -4.112 -7.343 1.00 0.00 C ATOM 0 HA PRO A 72 10.485 -3.029 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.767 -5.694 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.009 -5.189 -8.134 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.066 -5.717 -5.998 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.089 -6.183 -7.687 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.487 -4.027 -6.783 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.815 -4.069 -8.401 1.00 0.00 H new ATOM 1162 N HIS A 73 9.758 -4.036 -4.841 1.00 0.00 N ATOM 1163 CA HIS A 73 9.303 -4.011 -3.455 1.00 0.00 C ATOM 1164 C HIS A 73 8.738 -5.368 -3.044 1.00 0.00 C ATOM 1165 O HIS A 73 8.550 -6.253 -3.880 1.00 0.00 O ATOM 1166 CB HIS A 73 8.245 -2.925 -3.262 1.00 0.00 C ATOM 1167 CG HIS A 73 8.820 -1.566 -3.007 1.00 0.00 C ATOM 1168 ND1 HIS A 73 8.930 -1.021 -1.745 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.321 -0.642 -3.860 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.472 0.181 -1.834 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.719 0.434 -3.106 1.00 0.00 N ATOM 0 H HIS A 73 9.121 -4.504 -5.486 1.00 0.00 H new ATOM 0 HA HIS A 73 10.161 -3.787 -2.821 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.614 -2.883 -4.150 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.602 -3.201 -2.426 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.394 -0.734 -4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.678 0.844 -1.007 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.138 1.290 -3.470 1.00 0.00 H new ATOM 1180 N THR A 74 8.469 -5.525 -1.752 1.00 0.00 N ATOM 1181 CA THR A 74 7.927 -6.773 -1.230 1.00 0.00 C ATOM 1182 C THR A 74 7.394 -6.592 0.186 1.00 0.00 C ATOM 1183 O THR A 74 8.157 -6.346 1.121 1.00 0.00 O ATOM 1184 CB THR A 74 8.989 -7.889 -1.228 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.510 -8.073 -2.549 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.399 -9.197 -0.723 1.00 0.00 C ATOM 0 H THR A 74 8.618 -4.803 -1.047 1.00 0.00 H new ATOM 0 HA THR A 74 7.108 -7.062 -1.889 1.00 0.00 H new ATOM 0 HB THR A 74 9.796 -7.590 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.884 -7.697 -3.203 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.168 -9.970 -0.731 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.031 -9.061 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.575 -9.498 -1.370 1.00 0.00 H new ATOM 1194 N LEU A 75 6.080 -6.715 0.338 1.00 0.00 N ATOM 1195 CA LEU A 75 5.443 -6.565 1.643 1.00 0.00 C ATOM 1196 C LEU A 75 4.634 -7.808 2.000 1.00 0.00 C ATOM 1197 O LEU A 75 4.129 -8.506 1.120 1.00 0.00 O ATOM 1198 CB LEU A 75 4.537 -5.333 1.651 1.00 0.00 C ATOM 1199 CG LEU A 75 3.466 -5.295 2.742 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.107 -5.171 4.115 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.497 -4.147 2.498 1.00 0.00 C ATOM 0 H LEU A 75 5.435 -6.918 -0.425 1.00 0.00 H new ATOM 0 HA LEU A 75 6.226 -6.437 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.163 -4.447 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.043 -5.264 0.682 1.00 0.00 H new ATOM 0 HG LEU A 75 2.907 -6.230 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.330 -5.145 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.760 -6.026 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.692 -4.252 4.162 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.742 -4.135 3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.042 -3.203 2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.012 -4.279 1.531 1.00 0.00 H new ATOM 1213 N ASP A 76 4.513 -8.077 3.295 1.00 0.00 N ATOM 1214 CA ASP A 76 3.762 -9.233 3.769 1.00 0.00 C ATOM 1215 C ASP A 76 4.222 -10.506 3.063 1.00 0.00 C ATOM 1216 O ASP A 76 3.407 -11.347 2.687 1.00 0.00 O ATOM 1217 CB ASP A 76 2.264 -9.023 3.544 1.00 0.00 C ATOM 1218 CG ASP A 76 1.648 -8.097 4.575 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.373 -8.563 5.701 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.443 -6.908 4.256 1.00 0.00 O ATOM 0 H ASP A 76 4.926 -7.510 4.036 1.00 0.00 H new ATOM 0 HA ASP A 76 3.948 -9.343 4.837 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.103 -8.611 2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.756 -9.987 3.576 1.00 0.00 H new ATOM 1225 N GLY A 77 5.533 -10.638 2.886 1.00 0.00 N ATOM 1226 CA GLY A 77 6.078 -11.809 2.225 1.00 0.00 C ATOM 1227 C GLY A 77 5.562 -11.968 0.809 1.00 0.00 C ATOM 1228 O GLY A 77 5.588 -13.065 0.251 1.00 0.00 O ATOM 0 H GLY A 77 6.227 -9.955 3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.166 -11.739 2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.826 -12.699 2.802 1.00 0.00 H new ATOM 1232 N ARG A 78 5.092 -10.870 0.226 1.00 0.00 N ATOM 1233 CA ARG A 78 4.565 -10.893 -1.134 1.00 0.00 C ATOM 1234 C ARG A 78 5.246 -9.836 -1.998 1.00 0.00 C ATOM 1235 O ARG A 78 5.282 -8.659 -1.643 1.00 0.00 O ATOM 1236 CB ARG A 78 3.053 -10.661 -1.122 1.00 0.00 C ATOM 1237 CG ARG A 78 2.321 -11.358 -2.257 1.00 0.00 C ATOM 1238 CD ARG A 78 2.206 -10.460 -3.479 1.00 0.00 C ATOM 1239 NE ARG A 78 1.774 -11.200 -4.662 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.579 -11.978 -5.377 1.00 0.00 C ATOM 1241 NH1 ARG A 78 3.851 -12.118 -5.030 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.111 -12.619 -6.441 1.00 0.00 N ATOM 0 H ARG A 78 5.065 -9.954 0.674 1.00 0.00 H new ATOM 0 HA ARG A 78 4.771 -11.875 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.648 -11.009 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.858 -9.590 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.849 -12.273 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.325 -11.651 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.497 -9.658 -3.274 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.170 -9.991 -3.676 1.00 0.00 H new ATOM 0 HE ARG A 78 0.801 -11.115 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.213 -11.628 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.467 -12.716 -5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.133 -12.514 -6.710 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.730 -13.216 -6.990 1.00 0.00 H new ATOM 1256 N ASN A 79 5.785 -10.265 -3.135 1.00 0.00 N ATOM 1257 CA ASN A 79 6.465 -9.356 -4.049 1.00 0.00 C ATOM 1258 C ASN A 79 5.487 -8.344 -4.639 1.00 0.00 C ATOM 1259 O ASN A 79 4.594 -8.705 -5.406 1.00 0.00 O ATOM 1260 CB ASN A 79 7.143 -10.142 -5.174 1.00 0.00 C ATOM 1261 CG ASN A 79 7.931 -11.330 -4.655 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.470 -12.469 -4.716 1.00 0.00 O ATOM 1263 ND2 ASN A 79 9.127 -11.066 -4.141 1.00 0.00 N ATOM 0 H ASN A 79 5.764 -11.237 -3.445 1.00 0.00 H new ATOM 0 HA ASN A 79 7.224 -8.815 -3.484 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.387 -10.490 -5.877 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.810 -9.480 -5.726 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.704 -11.824 -3.776 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.469 -10.105 -4.111 1.00 0.00 H new ATOM 1270 N ILE A 80 5.663 -7.078 -4.276 1.00 0.00 N ATOM 1271 CA ILE A 80 4.798 -6.015 -4.770 1.00 0.00 C ATOM 1272 C ILE A 80 5.581 -5.016 -5.615 1.00 0.00 C ATOM 1273 O ILE A 80 6.811 -5.054 -5.658 1.00 0.00 O ATOM 1274 CB ILE A 80 4.110 -5.265 -3.614 1.00 0.00 C ATOM 1275 CG1 ILE A 80 5.126 -4.404 -2.861 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.438 -6.250 -2.669 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.490 -3.377 -1.950 1.00 0.00 C ATOM 0 H ILE A 80 6.397 -6.764 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 80 4.036 -6.491 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 80 3.344 -4.610 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.772 -5.052 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.763 -3.893 -3.583 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.956 -5.705 -1.857 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.689 -6.825 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.186 -6.927 -2.257 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.269 -2.803 -1.449 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.866 -2.705 -2.539 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.876 -3.882 -1.205 1.00 0.00 H new ATOM 1289 N ASP A 81 4.861 -4.122 -6.283 1.00 0.00 N ATOM 1290 CA ASP A 81 5.489 -3.110 -7.125 1.00 0.00 C ATOM 1291 C ASP A 81 4.616 -1.862 -7.217 1.00 0.00 C ATOM 1292 O ASP A 81 3.538 -1.871 -7.812 1.00 0.00 O ATOM 1293 CB ASP A 81 5.750 -3.669 -8.524 1.00 0.00 C ATOM 1294 CG ASP A 81 6.921 -2.993 -9.209 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.948 -2.760 -8.537 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.812 -2.698 -10.417 1.00 0.00 O ATOM 0 H ASP A 81 3.842 -4.077 -6.258 1.00 0.00 H new ATOM 0 HA ASP A 81 6.440 -2.834 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.943 -4.740 -8.454 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.855 -3.545 -9.134 1.00 0.00 H new ATOM 1301 N PRO A 82 5.090 -0.762 -6.614 1.00 0.00 N ATOM 1302 CA PRO A 82 4.368 0.514 -6.613 1.00 0.00 C ATOM 1303 C PRO A 82 4.339 1.164 -7.993 1.00 0.00 C ATOM 1304 O PRO A 82 5.149 0.839 -8.861 1.00 0.00 O ATOM 1305 CB PRO A 82 5.170 1.375 -5.634 1.00 0.00 C ATOM 1306 CG PRO A 82 6.543 0.798 -5.658 1.00 0.00 C ATOM 1307 CD PRO A 82 6.368 -0.678 -5.886 1.00 0.00 C ATOM 0 HA PRO A 82 3.322 0.390 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.175 2.421 -5.940 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.742 1.338 -4.632 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.141 1.247 -6.451 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.063 0.989 -4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.190 -1.095 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.332 -1.228 -4.946 1.00 0.00 H new ATOM 1315 N LYS A 83 3.400 2.084 -8.188 1.00 0.00 N ATOM 1316 CA LYS A 83 3.265 2.781 -9.461 1.00 0.00 C ATOM 1317 C LYS A 83 2.973 4.262 -9.242 1.00 0.00 C ATOM 1318 O LYS A 83 2.247 4.647 -8.325 1.00 0.00 O ATOM 1319 CB LYS A 83 2.150 2.149 -10.297 1.00 0.00 C ATOM 1320 CG LYS A 83 2.379 0.679 -10.603 1.00 0.00 C ATOM 1321 CD LYS A 83 3.328 0.494 -11.775 1.00 0.00 C ATOM 1322 CE LYS A 83 2.631 0.750 -13.103 1.00 0.00 C ATOM 1323 NZ LYS A 83 3.602 0.885 -14.223 1.00 0.00 N ATOM 0 H LYS A 83 2.721 2.364 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 83 4.209 2.690 -9.998 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.204 2.258 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.055 2.696 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.786 0.182 -9.722 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.426 0.200 -10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.174 1.173 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.729 -0.519 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.943 -0.068 -13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.033 1.658 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.087 1.059 -15.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.243 1.682 -14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.156 0.009 -14.310 1.00 0.00 H new ATOM 1337 N PRO A 84 3.549 5.114 -10.103 1.00 0.00 N ATOM 1338 CA PRO A 84 3.362 6.566 -10.024 1.00 0.00 C ATOM 1339 C PRO A 84 1.947 6.990 -10.400 1.00 0.00 C ATOM 1340 O PRO A 84 1.601 8.170 -10.326 1.00 0.00 O ATOM 1341 CB PRO A 84 4.371 7.109 -11.040 1.00 0.00 C ATOM 1342 CG PRO A 84 4.565 5.996 -12.012 1.00 0.00 C ATOM 1343 CD PRO A 84 4.426 4.726 -11.220 1.00 0.00 C ATOM 0 HA PRO A 84 3.511 6.942 -9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.993 8.004 -11.534 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.310 7.382 -10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.824 6.041 -12.810 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.546 6.056 -12.484 1.00 0.00 H new ATOM 0 HD2 PRO A 84 3.987 3.927 -11.817 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.392 4.366 -10.866 1.00 0.00 H new ATOM 1351 N CYS A 85 1.132 6.022 -10.803 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.248 6.295 -11.191 1.00 0.00 C ATOM 1353 C CYS A 85 -0.298 7.210 -12.410 1.00 0.00 C ATOM 1354 O CYS A 85 -1.219 8.015 -12.559 1.00 0.00 O ATOM 1355 CB CYS A 85 -1.010 6.931 -10.028 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.735 5.738 -8.880 1.00 0.00 S ATOM 0 H CYS A 85 1.402 5.041 -10.870 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.722 5.348 -11.451 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.332 7.583 -9.477 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.804 7.561 -10.429 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.027 5.885 -8.860 1.00 0.00 H new ATOM 1362 N THR A 86 0.699 7.084 -13.281 1.00 0.00 N ATOM 1363 CA THR A 86 0.770 7.902 -14.485 1.00 0.00 C ATOM 1364 C THR A 86 0.701 7.039 -15.740 1.00 0.00 C ATOM 1365 O THR A 86 1.078 5.867 -15.738 1.00 0.00 O ATOM 1366 CB THR A 86 2.064 8.738 -14.521 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.202 7.886 -14.347 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.050 9.803 -13.435 1.00 0.00 C ATOM 0 H THR A 86 1.468 6.423 -13.174 1.00 0.00 H new ATOM 0 HA THR A 86 -0.088 8.574 -14.462 1.00 0.00 H new ATOM 0 HB THR A 86 2.125 9.232 -15.491 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.021 8.424 -14.373 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.973 10.381 -13.480 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.199 10.467 -13.587 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.968 9.326 -12.458 1.00 0.00 H new ATOM 1376 N PRO A 87 0.208 7.630 -16.839 1.00 0.00 N ATOM 1377 CA PRO A 87 0.080 6.934 -18.122 1.00 0.00 C ATOM 1378 C PRO A 87 1.432 6.646 -18.764 1.00 0.00 C ATOM 1379 O PRO A 87 2.377 7.421 -18.617 1.00 0.00 O ATOM 1380 CB PRO A 87 -0.721 7.916 -18.980 1.00 0.00 C ATOM 1381 CG PRO A 87 -0.439 9.254 -18.388 1.00 0.00 C ATOM 1382 CD PRO A 87 -0.260 9.024 -16.913 1.00 0.00 C ATOM 0 HA PRO A 87 -0.394 5.959 -18.010 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.412 7.872 -20.024 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.786 7.688 -18.953 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.457 9.694 -18.826 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.259 9.946 -18.578 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.466 9.715 -16.484 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.194 9.164 -16.368 1.00 0.00 H new ATOM 1390 N ARG A 88 1.518 5.527 -19.476 1.00 0.00 N ATOM 1391 CA ARG A 88 2.756 5.137 -20.140 1.00 0.00 C ATOM 1392 C ARG A 88 3.216 6.220 -21.112 1.00 0.00 C ATOM 1393 O ARG A 88 2.426 7.059 -21.542 1.00 0.00 O ATOM 1394 CB ARG A 88 2.566 3.815 -20.886 1.00 0.00 C ATOM 1395 CG ARG A 88 1.734 3.944 -22.151 1.00 0.00 C ATOM 1396 CD ARG A 88 0.252 3.755 -21.866 1.00 0.00 C ATOM 1397 NE ARG A 88 -0.537 3.690 -23.093 1.00 0.00 N ATOM 1398 CZ ARG A 88 -1.779 3.221 -23.144 1.00 0.00 C ATOM 1399 NH1 ARG A 88 -2.369 2.778 -22.042 1.00 0.00 N ATOM 1400 NH2 ARG A 88 -2.433 3.195 -24.298 1.00 0.00 N ATOM 0 H ARG A 88 0.745 4.875 -19.608 1.00 0.00 H new ATOM 0 HA ARG A 88 3.523 5.008 -19.376 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.544 3.410 -21.144 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.089 3.097 -20.219 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.897 4.925 -22.597 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.062 3.204 -22.881 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.107 2.839 -21.293 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.106 4.578 -21.248 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.111 4.023 -23.958 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.869 2.797 -21.153 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.323 2.418 -22.083 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.982 3.535 -25.147 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.386 2.835 -24.336 1.00 0.00 H new ATOM 1414 N GLY A 89 4.501 6.194 -21.455 1.00 0.00 N ATOM 1415 CA GLY A 89 5.044 7.178 -22.373 1.00 0.00 C ATOM 1416 C GLY A 89 6.279 7.864 -21.823 1.00 0.00 C ATOM 1417 O GLY A 89 7.301 7.955 -22.503 1.00 0.00 O ATOM 0 H GLY A 89 5.175 5.509 -21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.292 6.692 -23.317 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.282 7.927 -22.590 1.00 0.00 H new ATOM 1421 N MET A 90 6.184 8.350 -20.590 1.00 0.00 N ATOM 1422 CA MET A 90 7.303 9.032 -19.950 1.00 0.00 C ATOM 1423 C MET A 90 8.449 8.062 -19.679 1.00 0.00 C ATOM 1424 O MET A 90 8.440 7.342 -18.681 1.00 0.00 O ATOM 1425 CB MET A 90 6.851 9.683 -18.642 1.00 0.00 C ATOM 1426 CG MET A 90 5.858 10.818 -18.839 1.00 0.00 C ATOM 1427 SD MET A 90 6.527 12.158 -19.842 1.00 0.00 S ATOM 1428 CE MET A 90 7.318 13.160 -18.586 1.00 0.00 C ATOM 0 H MET A 90 5.345 8.284 -20.014 1.00 0.00 H new ATOM 0 HA MET A 90 7.659 9.807 -20.629 1.00 0.00 H new ATOM 0 HB2 MET A 90 6.400 8.923 -18.004 1.00 0.00 H new ATOM 0 HB3 MET A 90 7.725 10.064 -18.114 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.957 10.429 -19.313 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.562 11.210 -17.866 1.00 0.00 H new ATOM 0 HE1 MET A 90 7.779 14.030 -19.052 1.00 0.00 H new ATOM 0 HE2 MET A 90 6.574 13.489 -17.861 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.083 12.571 -18.079 1.00 0.00 H new ATOM 1438 N GLN A 91 9.431 8.048 -20.574 1.00 0.00 N ATOM 1439 CA GLN A 91 10.582 7.165 -20.431 1.00 0.00 C ATOM 1440 C GLN A 91 11.779 7.700 -21.209 1.00 0.00 C ATOM 1441 O GLN A 91 11.644 8.252 -22.302 1.00 0.00 O ATOM 1442 CB GLN A 91 10.234 5.756 -20.913 1.00 0.00 C ATOM 1443 CG GLN A 91 9.989 5.669 -22.411 1.00 0.00 C ATOM 1444 CD GLN A 91 10.175 4.265 -22.952 1.00 0.00 C ATOM 1445 OE1 GLN A 91 9.314 3.402 -22.780 1.00 0.00 O ATOM 1446 NE2 GLN A 91 11.304 4.028 -23.610 1.00 0.00 N ATOM 0 H GLN A 91 9.453 8.638 -21.406 1.00 0.00 H new ATOM 0 HA GLN A 91 10.847 7.125 -19.375 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.045 5.079 -20.646 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.344 5.410 -20.387 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.976 6.007 -22.630 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.670 6.346 -22.927 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.991 4.773 -23.729 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.484 3.101 -23.996 1.00 0.00 H new ATOM 1455 N PRO A 92 12.981 7.535 -20.636 1.00 0.00 N ATOM 1456 CA PRO A 92 14.225 7.995 -21.259 1.00 0.00 C ATOM 1457 C PRO A 92 14.592 7.177 -22.493 1.00 0.00 C ATOM 1458 O PRO A 92 14.953 6.005 -22.387 1.00 0.00 O ATOM 1459 CB PRO A 92 15.268 7.797 -20.157 1.00 0.00 C ATOM 1460 CG PRO A 92 14.710 6.716 -19.297 1.00 0.00 C ATOM 1461 CD PRO A 92 13.217 6.886 -19.335 1.00 0.00 C ATOM 0 HA PRO A 92 14.148 9.023 -21.612 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.234 7.513 -20.573 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.423 8.714 -19.589 1.00 0.00 H new ATOM 0 HG2 PRO A 92 15.000 5.733 -19.668 1.00 0.00 H new ATOM 0 HG3 PRO A 92 15.086 6.796 -18.277 1.00 0.00 H new ATOM 0 HD2 PRO A 92 12.701 5.928 -19.264 1.00 0.00 H new ATOM 0 HD3 PRO A 92 12.861 7.501 -18.509 1.00 0.00 H new ATOM 1469 N SER A 93 14.499 7.803 -23.662 1.00 0.00 N ATOM 1470 CA SER A 93 14.818 7.131 -24.916 1.00 0.00 C ATOM 1471 C SER A 93 16.322 7.154 -25.177 1.00 0.00 C ATOM 1472 O SER A 93 16.850 6.310 -25.900 1.00 0.00 O ATOM 1473 CB SER A 93 14.078 7.796 -26.078 1.00 0.00 C ATOM 1474 OG SER A 93 14.592 9.091 -26.336 1.00 0.00 O ATOM 0 H SER A 93 14.205 8.774 -23.767 1.00 0.00 H new ATOM 0 HA SER A 93 14.496 6.093 -24.836 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.171 7.180 -26.972 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.015 7.863 -25.846 1.00 0.00 H new ATOM 0 HG SER A 93 14.103 9.494 -27.084 1.00 0.00 H new ATOM 1480 N GLY A 94 17.005 8.127 -24.582 1.00 0.00 N ATOM 1481 CA GLY A 94 18.440 8.243 -24.761 1.00 0.00 C ATOM 1482 C GLY A 94 18.914 9.682 -24.730 1.00 0.00 C ATOM 1483 O GLY A 94 18.219 10.597 -25.173 1.00 0.00 O ATOM 0 H GLY A 94 16.590 8.837 -23.979 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.947 7.680 -23.978 1.00 0.00 H new ATOM 0 HA3 GLY A 94 18.722 7.791 -25.712 1.00 0.00 H new ATOM 1487 N PRO A 95 20.125 9.899 -24.196 1.00 0.00 N ATOM 1488 CA PRO A 95 20.718 11.236 -24.095 1.00 0.00 C ATOM 1489 C PRO A 95 21.110 11.800 -25.456 1.00 0.00 C ATOM 1490 O PRO A 95 20.772 12.937 -25.788 1.00 0.00 O ATOM 1491 CB PRO A 95 21.962 11.008 -23.232 1.00 0.00 C ATOM 1492 CG PRO A 95 22.313 9.576 -23.445 1.00 0.00 C ATOM 1493 CD PRO A 95 21.009 8.856 -23.649 1.00 0.00 C ATOM 0 HA PRO A 95 20.020 11.961 -23.677 1.00 0.00 H new ATOM 0 HB2 PRO A 95 22.778 11.665 -23.533 1.00 0.00 H new ATOM 0 HB3 PRO A 95 21.758 11.214 -22.181 1.00 0.00 H new ATOM 0 HG2 PRO A 95 22.963 9.458 -24.312 1.00 0.00 H new ATOM 0 HG3 PRO A 95 22.851 9.174 -22.586 1.00 0.00 H new ATOM 0 HD2 PRO A 95 21.116 8.018 -24.338 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.623 8.452 -22.713 1.00 0.00 H new ATOM 1501 N SER A 96 21.824 11.000 -26.241 1.00 0.00 N ATOM 1502 CA SER A 96 22.265 11.421 -27.565 1.00 0.00 C ATOM 1503 C SER A 96 22.406 10.222 -28.498 1.00 0.00 C ATOM 1504 O SER A 96 22.285 9.073 -28.073 1.00 0.00 O ATOM 1505 CB SER A 96 23.597 12.167 -27.469 1.00 0.00 C ATOM 1506 OG SER A 96 23.461 13.359 -26.714 1.00 0.00 O ATOM 0 H SER A 96 22.110 10.056 -25.982 1.00 0.00 H new ATOM 0 HA SER A 96 21.510 12.092 -27.976 1.00 0.00 H new ATOM 0 HB2 SER A 96 24.345 11.523 -27.007 1.00 0.00 H new ATOM 0 HB3 SER A 96 23.957 12.406 -28.470 1.00 0.00 H new ATOM 0 HG SER A 96 24.326 13.816 -26.666 1.00 0.00 H new ATOM 1512 N SER A 97 22.663 10.499 -29.772 1.00 0.00 N ATOM 1513 CA SER A 97 22.817 9.445 -30.768 1.00 0.00 C ATOM 1514 C SER A 97 24.290 9.216 -31.093 1.00 0.00 C ATOM 1515 O SER A 97 24.763 8.081 -31.120 1.00 0.00 O ATOM 1516 CB SER A 97 22.050 9.801 -32.043 1.00 0.00 C ATOM 1517 OG SER A 97 21.836 8.654 -32.847 1.00 0.00 O ATOM 0 H SER A 97 22.769 11.445 -30.139 1.00 0.00 H new ATOM 0 HA SER A 97 22.407 8.524 -30.353 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.092 10.249 -31.781 1.00 0.00 H new ATOM 0 HB3 SER A 97 22.607 10.547 -32.610 1.00 0.00 H new ATOM 0 HG SER A 97 21.342 8.908 -33.655 1.00 0.00 H new ATOM 1523 N GLY A 98 25.011 10.306 -31.341 1.00 0.00 N ATOM 1524 CA GLY A 98 26.422 10.204 -31.662 1.00 0.00 C ATOM 1525 C GLY A 98 27.118 11.551 -31.650 1.00 0.00 C ATOM 1526 O GLY A 98 26.862 12.397 -32.506 1.00 0.00 O ATOM 0 H GLY A 98 24.643 11.257 -31.325 1.00 0.00 H new ATOM 0 HA2 GLY A 98 26.907 9.541 -30.946 1.00 0.00 H new ATOM 0 HA3 GLY A 98 26.536 9.748 -32.646 1.00 0.00 H new TER 1530 GLY A 98