USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1011 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 130 HIS : no HD1:sc= -0.349 X(o=-0.076,f=0.12) USER MOD Set 1.2: A 132 HIS : no HE2:sc= 0.273 K(o=-0.076,f=-4.1!) USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0545 X(o=-0.24,f=-0.15) USER MOD Set 2.2: A 120 MET CE :methyl 160:sc= -0.185 (180deg=-0.126) USER MOD Set 3.1: A 97 MET CE :methyl -129:sc= -2.11 (180deg=-3.26) USER MOD Set 3.2: A 105 THR OG1 : rot 73:sc= 0.863 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.148 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00291 (180deg=-0.196) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 7 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.00032) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -14:sc= 1.24 USER MOD Single : A 12 TYR OH : rot -146:sc= 1.25 USER MOD Single : A 21 HIS : no HE2:sc= 0.725 K(o=0.73,f=-5.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.805 F(o=-5.3!,f=-0.81) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 32 SER OG : rot 161:sc= 0.56 USER MOD Single : A 36 MET CE :methyl 137:sc= -0.157 (180deg=-0.707) USER MOD Single : A 43 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.17) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -0.0424 F(o=-1.2!,f=-0.042) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS :FLIP no HD1:sc= -0.236 F(o=-0.76,f=-0.24) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0.931 K(o=0.93,f=-4.9!) USER MOD Single : A 72 THR OG1 : rot 133:sc= 1.24 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.69) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 87 CYS SG : rot -59:sc= -1.7! USER MOD Single : A 89 THR OG1 : rot -93:sc= 1.25 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0701 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -0.0354 X(o=-0.035,f=-0.035) USER MOD Single : A 128 HIS : no HD1:sc= 0.603 K(o=0.6,f=-2.4!) USER MOD Single : A 129 HIS : no HD1:sc= -0.0938 X(o=-0.094,f=-0.077) USER MOD Single : A 131 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.042 21.250 -21.010 1.00 0.00 N ATOM 2 CA MET A 1 20.823 22.179 -20.160 1.00 0.00 C ATOM 3 C MET A 1 19.908 22.907 -19.179 1.00 0.00 C ATOM 4 O MET A 1 18.827 23.368 -19.550 1.00 0.00 O ATOM 5 CB MET A 1 21.563 23.200 -21.031 1.00 0.00 C ATOM 6 CG MET A 1 22.627 22.584 -21.926 1.00 0.00 C ATOM 7 SD MET A 1 24.002 21.881 -20.993 1.00 0.00 S ATOM 8 CE MET A 1 24.694 23.352 -20.239 1.00 0.00 C ATOM 0 H1 MET A 1 20.689 20.599 -21.498 1.00 0.00 H new ATOM 0 H2 MET A 1 19.385 20.705 -20.416 1.00 0.00 H new ATOM 0 H3 MET A 1 19.502 21.794 -21.713 1.00 0.00 H new ATOM 0 HA MET A 1 21.551 21.596 -19.596 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.839 23.727 -21.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.030 23.944 -20.386 1.00 0.00 H new ATOM 0 HG2 MET A 1 22.174 21.805 -22.539 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.007 23.345 -22.608 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.779 23.335 -20.337 1.00 0.00 H new ATOM 0 HE2 MET A 1 24.298 24.237 -20.737 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.426 23.380 -19.183 1.00 0.00 H new ATOM 20 N PRO A 2 20.337 23.028 -17.908 1.00 0.00 N ATOM 21 CA PRO A 2 19.528 23.642 -16.848 1.00 0.00 C ATOM 22 C PRO A 2 19.298 25.140 -17.053 1.00 0.00 C ATOM 23 O PRO A 2 18.419 25.726 -16.424 1.00 0.00 O ATOM 24 CB PRO A 2 20.345 23.394 -15.577 1.00 0.00 C ATOM 25 CG PRO A 2 21.743 23.193 -16.047 1.00 0.00 C ATOM 26 CD PRO A 2 21.639 22.555 -17.402 1.00 0.00 C ATOM 0 HA PRO A 2 18.526 23.214 -16.820 1.00 0.00 H new ATOM 0 HB2 PRO A 2 20.277 24.240 -14.893 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.981 22.519 -15.039 1.00 0.00 H new ATOM 0 HG2 PRO A 2 22.276 24.142 -16.103 1.00 0.00 H new ATOM 0 HG3 PRO A 2 22.298 22.556 -15.358 1.00 0.00 H new ATOM 0 HD2 PRO A 2 22.458 22.861 -18.053 1.00 0.00 H new ATOM 0 HD3 PRO A 2 21.673 21.467 -17.337 1.00 0.00 H new ATOM 34 N LEU A 3 20.069 25.750 -17.947 1.00 0.00 N ATOM 35 CA LEU A 3 19.929 27.177 -18.243 1.00 0.00 C ATOM 36 C LEU A 3 18.772 27.410 -19.214 1.00 0.00 C ATOM 37 O LEU A 3 18.891 28.168 -20.177 1.00 0.00 O ATOM 38 CB LEU A 3 21.232 27.743 -18.829 1.00 0.00 C ATOM 39 CG LEU A 3 22.411 27.859 -17.853 1.00 0.00 C ATOM 40 CD1 LEU A 3 21.971 28.512 -16.552 1.00 0.00 C ATOM 41 CD2 LEU A 3 23.044 26.501 -17.589 1.00 0.00 C ATOM 0 H LEU A 3 20.800 25.280 -18.482 1.00 0.00 H new ATOM 0 HA LEU A 3 19.715 27.697 -17.309 1.00 0.00 H new ATOM 0 HB2 LEU A 3 21.537 27.111 -19.663 1.00 0.00 H new ATOM 0 HB3 LEU A 3 21.025 28.732 -19.237 1.00 0.00 H new ATOM 0 HG LEU A 3 23.166 28.494 -18.316 1.00 0.00 H new ATOM 0 HD11 LEU A 3 22.822 28.584 -15.875 1.00 0.00 H new ATOM 0 HD12 LEU A 3 21.586 29.511 -16.758 1.00 0.00 H new ATOM 0 HD13 LEU A 3 21.189 27.910 -16.089 1.00 0.00 H new ATOM 0 HD21 LEU A 3 23.876 26.616 -16.894 1.00 0.00 H new ATOM 0 HD22 LEU A 3 22.301 25.831 -17.157 1.00 0.00 H new ATOM 0 HD23 LEU A 3 23.410 26.082 -18.526 1.00 0.00 H new ATOM 53 N ASN A 4 17.656 26.753 -18.928 1.00 0.00 N ATOM 54 CA ASN A 4 16.460 26.797 -19.761 1.00 0.00 C ATOM 55 C ASN A 4 15.418 25.873 -19.152 1.00 0.00 C ATOM 56 O ASN A 4 14.314 26.291 -18.794 1.00 0.00 O ATOM 57 CB ASN A 4 16.774 26.347 -21.194 1.00 0.00 C ATOM 58 CG ASN A 4 15.568 26.416 -22.112 1.00 0.00 C ATOM 59 OD1 ASN A 4 14.798 25.458 -22.230 1.00 0.00 O ATOM 60 ND2 ASN A 4 15.403 27.545 -22.779 1.00 0.00 N ATOM 0 H ASN A 4 17.554 26.166 -18.100 1.00 0.00 H new ATOM 0 HA ASN A 4 16.087 27.820 -19.803 1.00 0.00 H new ATOM 0 HB2 ASN A 4 17.569 26.972 -21.600 1.00 0.00 H new ATOM 0 HB3 ASN A 4 17.151 25.324 -21.174 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.616 27.648 -23.420 1.00 0.00 H new ATOM 0 HD22 ASN A 4 16.062 28.313 -22.653 1.00 0.00 H new ATOM 67 N GLN A 5 15.804 24.614 -19.021 1.00 0.00 N ATOM 68 CA GLN A 5 14.985 23.599 -18.384 1.00 0.00 C ATOM 69 C GLN A 5 15.890 22.456 -17.947 1.00 0.00 C ATOM 70 O GLN A 5 16.439 21.748 -18.790 1.00 0.00 O ATOM 71 CB GLN A 5 13.915 23.089 -19.350 1.00 0.00 C ATOM 72 CG GLN A 5 12.916 22.146 -18.706 1.00 0.00 C ATOM 73 CD GLN A 5 11.918 21.588 -19.699 1.00 0.00 C ATOM 74 OE1 GLN A 5 12.233 21.395 -20.874 1.00 0.00 O ATOM 75 NE2 GLN A 5 10.703 21.348 -19.238 1.00 0.00 N ATOM 0 H GLN A 5 16.702 24.266 -19.357 1.00 0.00 H new ATOM 0 HA GLN A 5 14.478 24.025 -17.518 1.00 0.00 H new ATOM 0 HB2 GLN A 5 13.380 23.941 -19.769 1.00 0.00 H new ATOM 0 HB3 GLN A 5 14.401 22.578 -20.181 1.00 0.00 H new ATOM 0 HG2 GLN A 5 13.452 21.323 -18.233 1.00 0.00 H new ATOM 0 HG3 GLN A 5 12.381 22.673 -17.916 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.486 21.523 -18.257 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.982 20.988 -19.863 1.00 0.00 H new ATOM 84 N GLU A 6 16.067 22.299 -16.638 1.00 0.00 N ATOM 85 CA GLU A 6 17.024 21.333 -16.106 1.00 0.00 C ATOM 86 C GLU A 6 16.780 19.923 -16.647 1.00 0.00 C ATOM 87 O GLU A 6 17.587 19.405 -17.415 1.00 0.00 O ATOM 88 CB GLU A 6 17.017 21.335 -14.572 1.00 0.00 C ATOM 89 CG GLU A 6 15.641 21.175 -13.946 1.00 0.00 C ATOM 90 CD GLU A 6 15.721 20.867 -12.468 1.00 0.00 C ATOM 91 OE1 GLU A 6 15.850 21.811 -11.666 1.00 0.00 O ATOM 92 OE2 GLU A 6 15.663 19.673 -12.105 1.00 0.00 O ATOM 0 H GLU A 6 15.561 22.827 -15.927 1.00 0.00 H new ATOM 0 HA GLU A 6 18.012 21.645 -16.446 1.00 0.00 H new ATOM 0 HB2 GLU A 6 17.659 20.529 -14.218 1.00 0.00 H new ATOM 0 HB3 GLU A 6 17.455 22.269 -14.221 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.067 22.090 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.103 20.375 -14.454 1.00 0.00 H new ATOM 99 N HIS A 7 15.668 19.316 -16.264 1.00 0.00 N ATOM 100 CA HIS A 7 15.361 17.956 -16.679 1.00 0.00 C ATOM 101 C HIS A 7 13.957 17.578 -16.230 1.00 0.00 C ATOM 102 O HIS A 7 13.638 17.680 -15.045 1.00 0.00 O ATOM 103 CB HIS A 7 16.383 16.977 -16.080 1.00 0.00 C ATOM 104 CG HIS A 7 16.257 15.573 -16.590 1.00 0.00 C ATOM 105 ND1 HIS A 7 15.784 14.530 -15.824 1.00 0.00 N ATOM 106 CD2 HIS A 7 16.562 15.041 -17.795 1.00 0.00 C ATOM 107 CE1 HIS A 7 15.805 13.421 -16.535 1.00 0.00 C ATOM 108 NE2 HIS A 7 16.270 13.702 -17.737 1.00 0.00 N ATOM 0 H HIS A 7 14.962 19.744 -15.665 1.00 0.00 H new ATOM 0 HA HIS A 7 15.413 17.901 -17.766 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.388 17.341 -16.294 1.00 0.00 H new ATOM 0 HB3 HIS A 7 16.271 16.970 -14.996 1.00 0.00 H new ATOM 0 HD2 HIS A 7 16.962 15.572 -18.646 1.00 0.00 H new ATOM 0 HE1 HIS A 7 15.494 12.446 -16.191 1.00 0.00 H new ATOM 0 HE2 HIS A 7 16.392 13.034 -18.498 1.00 0.00 H new ATOM 117 N PRO A 8 13.093 17.172 -17.173 1.00 0.00 N ATOM 118 CA PRO A 8 11.760 16.657 -16.851 1.00 0.00 C ATOM 119 C PRO A 8 11.831 15.518 -15.840 1.00 0.00 C ATOM 120 O PRO A 8 12.532 14.526 -16.054 1.00 0.00 O ATOM 121 CB PRO A 8 11.234 16.155 -18.198 1.00 0.00 C ATOM 122 CG PRO A 8 11.973 16.957 -19.211 1.00 0.00 C ATOM 123 CD PRO A 8 13.337 17.198 -18.627 1.00 0.00 C ATOM 0 HA PRO A 8 11.120 17.412 -16.395 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.420 15.088 -18.324 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.157 16.303 -18.283 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.042 16.422 -20.158 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.462 17.898 -19.413 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.046 16.427 -18.930 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.749 18.154 -18.949 1.00 0.00 H new ATOM 131 N ASP A 9 11.122 15.677 -14.735 1.00 0.00 N ATOM 132 CA ASP A 9 11.163 14.705 -13.652 1.00 0.00 C ATOM 133 C ASP A 9 10.229 13.538 -13.951 1.00 0.00 C ATOM 134 O ASP A 9 9.128 13.730 -14.472 1.00 0.00 O ATOM 135 CB ASP A 9 10.782 15.376 -12.331 1.00 0.00 C ATOM 136 CG ASP A 9 10.988 14.469 -11.139 1.00 0.00 C ATOM 137 OD1 ASP A 9 10.056 13.722 -10.789 1.00 0.00 O ATOM 138 OD2 ASP A 9 12.092 14.495 -10.550 1.00 0.00 O ATOM 0 H ASP A 9 10.508 16.473 -14.563 1.00 0.00 H new ATOM 0 HA ASP A 9 12.178 14.317 -13.565 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.377 16.280 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 9 9.737 15.685 -12.372 1.00 0.00 H new ATOM 143 N TYR A 10 10.671 12.330 -13.629 1.00 0.00 N ATOM 144 CA TYR A 10 9.909 11.133 -13.962 1.00 0.00 C ATOM 145 C TYR A 10 9.306 10.484 -12.721 1.00 0.00 C ATOM 146 O TYR A 10 8.860 9.338 -12.767 1.00 0.00 O ATOM 147 CB TYR A 10 10.796 10.124 -14.694 1.00 0.00 C ATOM 148 CG TYR A 10 11.355 10.638 -16.003 1.00 0.00 C ATOM 149 CD1 TYR A 10 10.529 10.849 -17.100 1.00 0.00 C ATOM 150 CD2 TYR A 10 12.709 10.917 -16.138 1.00 0.00 C ATOM 151 CE1 TYR A 10 11.038 11.319 -18.297 1.00 0.00 C ATOM 152 CE2 TYR A 10 13.224 11.387 -17.331 1.00 0.00 C ATOM 153 CZ TYR A 10 12.387 11.588 -18.406 1.00 0.00 C ATOM 154 OH TYR A 10 12.901 12.059 -19.594 1.00 0.00 O ATOM 0 H TYR A 10 11.548 12.153 -13.140 1.00 0.00 H new ATOM 0 HA TYR A 10 9.091 11.438 -14.614 1.00 0.00 H new ATOM 0 HB2 TYR A 10 11.623 9.842 -14.042 1.00 0.00 H new ATOM 0 HB3 TYR A 10 10.219 9.220 -14.886 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.472 10.643 -17.017 1.00 0.00 H new ATOM 0 HD2 TYR A 10 13.370 10.764 -15.297 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.383 11.475 -19.142 1.00 0.00 H new ATOM 0 HE2 TYR A 10 14.280 11.596 -17.420 1.00 0.00 H new ATOM 0 HH TYR A 10 13.867 12.198 -19.501 1.00 0.00 H new ATOM 164 N THR A 11 9.282 11.209 -11.614 1.00 0.00 N ATOM 165 CA THR A 11 8.697 10.683 -10.393 1.00 0.00 C ATOM 166 C THR A 11 7.467 11.494 -10.003 1.00 0.00 C ATOM 167 O THR A 11 7.032 12.370 -10.747 1.00 0.00 O ATOM 168 CB THR A 11 9.708 10.678 -9.222 1.00 0.00 C ATOM 169 OG1 THR A 11 10.070 12.017 -8.858 1.00 0.00 O ATOM 170 CG2 THR A 11 10.961 9.895 -9.588 1.00 0.00 C ATOM 0 H THR A 11 9.657 12.154 -11.536 1.00 0.00 H new ATOM 0 HA THR A 11 8.408 9.651 -10.592 1.00 0.00 H new ATOM 0 HB THR A 11 9.226 10.195 -8.372 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.784 12.636 -9.562 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.656 9.907 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.691 8.865 -9.821 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.435 10.352 -10.457 1.00 0.00 H new ATOM 178 N TYR A 12 6.904 11.194 -8.844 1.00 0.00 N ATOM 179 CA TYR A 12 5.756 11.935 -8.344 1.00 0.00 C ATOM 180 C TYR A 12 6.152 12.731 -7.108 1.00 0.00 C ATOM 181 O TYR A 12 5.342 12.958 -6.210 1.00 0.00 O ATOM 182 CB TYR A 12 4.599 10.979 -8.039 1.00 0.00 C ATOM 183 CG TYR A 12 4.043 10.316 -9.281 1.00 0.00 C ATOM 184 CD1 TYR A 12 3.168 10.997 -10.118 1.00 0.00 C ATOM 185 CD2 TYR A 12 4.400 9.017 -9.625 1.00 0.00 C ATOM 186 CE1 TYR A 12 2.670 10.408 -11.264 1.00 0.00 C ATOM 187 CE2 TYR A 12 3.903 8.419 -10.768 1.00 0.00 C ATOM 188 CZ TYR A 12 3.037 9.119 -11.583 1.00 0.00 C ATOM 189 OH TYR A 12 2.547 8.532 -12.729 1.00 0.00 O ATOM 0 H TYR A 12 7.222 10.443 -8.232 1.00 0.00 H new ATOM 0 HA TYR A 12 5.419 12.635 -9.109 1.00 0.00 H new ATOM 0 HB2 TYR A 12 4.941 10.211 -7.345 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.802 11.529 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.872 12.005 -9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.077 8.466 -8.989 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.996 10.955 -11.907 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.191 7.409 -11.022 1.00 0.00 H new ATOM 0 HH TYR A 12 2.418 7.573 -12.576 1.00 0.00 H new ATOM 199 N ALA A 13 7.426 13.131 -7.078 1.00 0.00 N ATOM 200 CA ALA A 13 7.983 13.963 -6.008 1.00 0.00 C ATOM 201 C ALA A 13 7.977 13.252 -4.657 1.00 0.00 C ATOM 202 O ALA A 13 8.309 13.850 -3.632 1.00 0.00 O ATOM 203 CB ALA A 13 7.248 15.293 -5.919 1.00 0.00 C ATOM 0 H ALA A 13 8.104 12.885 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 13 9.025 14.155 -6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.679 15.894 -5.118 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.345 15.826 -6.865 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.193 15.113 -5.710 1.00 0.00 H new ATOM 209 N LEU A 14 7.618 11.974 -4.656 1.00 0.00 N ATOM 210 CA LEU A 14 7.655 11.176 -3.441 1.00 0.00 C ATOM 211 C LEU A 14 9.094 10.791 -3.126 1.00 0.00 C ATOM 212 O LEU A 14 9.531 9.674 -3.400 1.00 0.00 O ATOM 213 CB LEU A 14 6.784 9.923 -3.576 1.00 0.00 C ATOM 214 CG LEU A 14 6.726 9.033 -2.329 1.00 0.00 C ATOM 215 CD1 LEU A 14 6.012 9.744 -1.189 1.00 0.00 C ATOM 216 CD2 LEU A 14 6.046 7.712 -2.649 1.00 0.00 C ATOM 0 H LEU A 14 7.298 11.470 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 14 7.254 11.773 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.770 10.230 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.157 9.329 -4.410 1.00 0.00 H new ATOM 0 HG LEU A 14 7.747 8.825 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.983 9.093 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.546 10.661 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.994 9.988 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.014 7.093 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.030 7.900 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.606 7.194 -3.428 1.00 0.00 H new ATOM 228 N ARG A 15 9.840 11.752 -2.612 1.00 0.00 N ATOM 229 CA ARG A 15 11.230 11.533 -2.254 1.00 0.00 C ATOM 230 C ARG A 15 11.481 11.994 -0.828 1.00 0.00 C ATOM 231 O ARG A 15 12.618 12.008 -0.359 1.00 0.00 O ATOM 232 CB ARG A 15 12.157 12.271 -3.227 1.00 0.00 C ATOM 233 CG ARG A 15 12.008 11.816 -4.671 1.00 0.00 C ATOM 234 CD ARG A 15 13.009 12.496 -5.594 1.00 0.00 C ATOM 235 NE ARG A 15 12.782 13.937 -5.712 1.00 0.00 N ATOM 236 CZ ARG A 15 12.527 14.554 -6.869 1.00 0.00 C ATOM 237 NH1 ARG A 15 12.387 13.839 -7.982 1.00 0.00 N ATOM 238 NH2 ARG A 15 12.400 15.875 -6.910 1.00 0.00 N ATOM 0 H ARG A 15 9.504 12.698 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 15 11.444 10.466 -2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.954 13.340 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.191 12.125 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 15 12.142 10.736 -4.725 1.00 0.00 H new ATOM 0 HG3 ARG A 15 10.996 12.030 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 15 14.018 12.321 -5.221 1.00 0.00 H new ATOM 0 HD3 ARG A 15 12.952 12.041 -6.583 1.00 0.00 H new ATOM 0 HE ARG A 15 12.821 14.502 -4.863 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.474 12.823 -7.950 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.192 14.307 -8.867 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.497 16.423 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.205 16.341 -7.796 1.00 0.00 H new ATOM 252 N ALA A 16 10.410 12.369 -0.142 1.00 0.00 N ATOM 253 CA ALA A 16 10.505 12.805 1.240 1.00 0.00 C ATOM 254 C ALA A 16 9.799 11.813 2.153 1.00 0.00 C ATOM 255 O ALA A 16 8.572 11.823 2.271 1.00 0.00 O ATOM 256 CB ALA A 16 9.917 14.200 1.401 1.00 0.00 C ATOM 0 H ALA A 16 9.464 12.379 -0.523 1.00 0.00 H new ATOM 0 HA ALA A 16 11.557 12.846 1.523 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.997 14.510 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.465 14.901 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.868 14.189 1.105 1.00 0.00 H new ATOM 262 N ALA A 17 10.579 10.942 2.775 1.00 0.00 N ATOM 263 CA ALA A 17 10.036 9.919 3.652 1.00 0.00 C ATOM 264 C ALA A 17 10.498 10.143 5.085 1.00 0.00 C ATOM 265 O ALA A 17 11.684 10.018 5.396 1.00 0.00 O ATOM 266 CB ALA A 17 10.444 8.536 3.169 1.00 0.00 C ATOM 0 H ALA A 17 11.595 10.925 2.687 1.00 0.00 H new ATOM 0 HA ALA A 17 8.948 9.986 3.629 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.029 7.781 3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.064 8.376 2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 17 11.531 8.458 3.164 1.00 0.00 H new ATOM 272 N ASP A 18 9.561 10.496 5.948 1.00 0.00 N ATOM 273 CA ASP A 18 9.865 10.742 7.351 1.00 0.00 C ATOM 274 C ASP A 18 9.359 9.606 8.231 1.00 0.00 C ATOM 275 O ASP A 18 10.022 9.200 9.186 1.00 0.00 O ATOM 276 CB ASP A 18 9.241 12.067 7.795 1.00 0.00 C ATOM 277 CG ASP A 18 9.161 12.202 9.302 1.00 0.00 C ATOM 278 OD1 ASP A 18 10.164 12.599 9.926 1.00 0.00 O ATOM 279 OD2 ASP A 18 8.085 11.921 9.867 1.00 0.00 O ATOM 0 H ASP A 18 8.579 10.620 5.702 1.00 0.00 H new ATOM 0 HA ASP A 18 10.948 10.798 7.460 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.827 12.893 7.391 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.239 12.151 7.373 1.00 0.00 H new ATOM 284 N GLY A 19 8.187 9.091 7.897 1.00 0.00 N ATOM 285 CA GLY A 19 7.562 8.079 8.722 1.00 0.00 C ATOM 286 C GLY A 19 6.225 8.550 9.242 1.00 0.00 C ATOM 287 O GLY A 19 5.199 7.903 9.035 1.00 0.00 O ATOM 0 H GLY A 19 7.656 9.356 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.429 7.165 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.215 7.834 9.559 1.00 0.00 H new ATOM 291 N ARG A 20 6.236 9.697 9.900 1.00 0.00 N ATOM 292 CA ARG A 20 5.012 10.318 10.379 1.00 0.00 C ATOM 293 C ARG A 20 4.631 11.451 9.429 1.00 0.00 C ATOM 294 O ARG A 20 3.610 12.119 9.594 1.00 0.00 O ATOM 295 CB ARG A 20 5.214 10.847 11.803 1.00 0.00 C ATOM 296 CG ARG A 20 3.939 11.341 12.468 1.00 0.00 C ATOM 297 CD ARG A 20 4.206 11.830 13.880 1.00 0.00 C ATOM 298 NE ARG A 20 4.755 10.773 14.727 1.00 0.00 N ATOM 299 CZ ARG A 20 5.101 10.935 15.998 1.00 0.00 C ATOM 300 NH1 ARG A 20 4.996 12.122 16.582 1.00 0.00 N ATOM 301 NH2 ARG A 20 5.570 9.901 16.679 1.00 0.00 N ATOM 0 H ARG A 20 7.085 10.220 10.116 1.00 0.00 H new ATOM 0 HA ARG A 20 4.207 9.584 10.404 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.647 10.056 12.415 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.937 11.662 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.508 12.149 11.877 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.204 10.536 12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.902 12.668 13.849 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.279 12.201 14.317 1.00 0.00 H new ATOM 0 HE ARG A 20 4.881 9.849 14.314 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.646 12.921 16.053 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.265 12.235 17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.662 8.992 16.226 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.839 10.014 17.656 1.00 0.00 H new ATOM 315 N HIS A 21 5.478 11.662 8.433 1.00 0.00 N ATOM 316 CA HIS A 21 5.255 12.687 7.425 1.00 0.00 C ATOM 317 C HIS A 21 5.621 12.136 6.052 1.00 0.00 C ATOM 318 O HIS A 21 6.620 11.426 5.910 1.00 0.00 O ATOM 319 CB HIS A 21 6.100 13.936 7.718 1.00 0.00 C ATOM 320 CG HIS A 21 5.903 14.508 9.093 1.00 0.00 C ATOM 321 ND1 HIS A 21 6.603 14.066 10.195 1.00 0.00 N ATOM 322 CD2 HIS A 21 5.089 15.493 9.541 1.00 0.00 C ATOM 323 CE1 HIS A 21 6.231 14.751 11.257 1.00 0.00 C ATOM 324 NE2 HIS A 21 5.315 15.622 10.889 1.00 0.00 N ATOM 0 H HIS A 21 6.337 11.129 8.301 1.00 0.00 H new ATOM 0 HA HIS A 21 4.202 12.969 7.444 1.00 0.00 H new ATOM 0 HB2 HIS A 21 7.153 13.686 7.589 1.00 0.00 H new ATOM 0 HB3 HIS A 21 5.861 14.703 6.981 1.00 0.00 H new ATOM 0 HD1 HIS A 21 7.302 13.323 10.189 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.393 16.069 8.949 1.00 0.00 H new ATOM 0 HE1 HIS A 21 6.613 14.620 12.259 1.00 0.00 H new ATOM 333 N ALA A 22 4.803 12.444 5.058 1.00 0.00 N ATOM 334 CA ALA A 22 5.058 12.017 3.689 1.00 0.00 C ATOM 335 C ALA A 22 4.615 13.100 2.719 1.00 0.00 C ATOM 336 O ALA A 22 3.653 13.819 2.989 1.00 0.00 O ATOM 337 CB ALA A 22 4.332 10.713 3.397 1.00 0.00 C ATOM 0 H ALA A 22 3.951 12.992 5.174 1.00 0.00 H new ATOM 0 HA ALA A 22 6.128 11.849 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.532 10.407 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.683 9.940 4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.260 10.856 3.530 1.00 0.00 H new ATOM 343 N LYS A 23 5.311 13.227 1.600 1.00 0.00 N ATOM 344 CA LYS A 23 4.981 14.264 0.634 1.00 0.00 C ATOM 345 C LYS A 23 4.831 13.684 -0.768 1.00 0.00 C ATOM 346 O LYS A 23 5.776 13.123 -1.324 1.00 0.00 O ATOM 347 CB LYS A 23 6.053 15.355 0.627 1.00 0.00 C ATOM 348 CG LYS A 23 5.564 16.667 0.037 1.00 0.00 C ATOM 349 CD LYS A 23 6.677 17.696 -0.052 1.00 0.00 C ATOM 350 CE LYS A 23 6.131 19.062 -0.432 1.00 0.00 C ATOM 351 NZ LYS A 23 7.212 20.045 -0.696 1.00 0.00 N ATOM 0 H LYS A 23 6.098 12.633 1.340 1.00 0.00 H new ATOM 0 HA LYS A 23 4.028 14.700 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.394 15.527 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.914 15.006 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.154 16.488 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.753 17.061 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.193 17.761 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.413 17.377 -0.790 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.504 18.967 -1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.493 19.433 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.793 20.962 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.796 20.157 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.806 19.706 -1.479 1.00 0.00 H new ATOM 365 N VAL A 24 3.637 13.820 -1.328 1.00 0.00 N ATOM 366 CA VAL A 24 3.374 13.398 -2.698 1.00 0.00 C ATOM 367 C VAL A 24 3.084 14.622 -3.557 1.00 0.00 C ATOM 368 O VAL A 24 2.163 15.388 -3.256 1.00 0.00 O ATOM 369 CB VAL A 24 2.184 12.416 -2.778 1.00 0.00 C ATOM 370 CG1 VAL A 24 1.937 11.977 -4.216 1.00 0.00 C ATOM 371 CG2 VAL A 24 2.428 11.209 -1.886 1.00 0.00 C ATOM 0 H VAL A 24 2.830 14.222 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 24 4.259 12.879 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 24 1.293 12.934 -2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.094 11.286 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.713 12.850 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.827 11.481 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.580 10.528 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.333 10.695 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.546 11.538 -0.853 1.00 0.00 H new ATOM 381 N ASN A 25 3.873 14.794 -4.616 1.00 0.00 N ATOM 382 CA ASN A 25 3.829 15.993 -5.457 1.00 0.00 C ATOM 383 C ASN A 25 4.156 17.239 -4.645 1.00 0.00 C ATOM 384 O ASN A 25 5.300 17.692 -4.615 1.00 0.00 O ATOM 385 CB ASN A 25 2.472 16.161 -6.154 1.00 0.00 C ATOM 386 CG ASN A 25 2.313 15.265 -7.367 1.00 0.00 C ATOM 387 OD1 ASN A 25 2.840 14.155 -7.416 1.00 0.00 O ATOM 388 ND2 ASN A 25 1.590 15.749 -8.364 1.00 0.00 N ATOM 0 H ASN A 25 4.563 14.106 -4.917 1.00 0.00 H new ATOM 0 HA ASN A 25 4.586 15.863 -6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.675 15.944 -5.442 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.353 17.201 -6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.454 15.196 -9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.169 16.675 -8.286 1.00 0.00 H new ATOM 395 N GLU A 26 3.152 17.783 -3.976 1.00 0.00 N ATOM 396 CA GLU A 26 3.337 18.967 -3.159 1.00 0.00 C ATOM 397 C GLU A 26 2.458 18.893 -1.911 1.00 0.00 C ATOM 398 O GLU A 26 2.366 19.848 -1.141 1.00 0.00 O ATOM 399 CB GLU A 26 2.999 20.213 -3.977 1.00 0.00 C ATOM 400 CG GLU A 26 3.580 21.496 -3.413 1.00 0.00 C ATOM 401 CD GLU A 26 3.166 22.712 -4.209 1.00 0.00 C ATOM 402 OE1 GLU A 26 3.747 22.948 -5.290 1.00 0.00 O ATOM 403 OE2 GLU A 26 2.260 23.440 -3.755 1.00 0.00 O ATOM 0 H GLU A 26 2.199 17.421 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 26 4.378 19.023 -2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.364 20.077 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.915 20.313 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.257 21.614 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 4.668 21.425 -3.401 1.00 0.00 H new ATOM 410 N GLN A 27 1.827 17.747 -1.702 1.00 0.00 N ATOM 411 CA GLN A 27 0.921 17.575 -0.579 1.00 0.00 C ATOM 412 C GLN A 27 1.585 16.755 0.519 1.00 0.00 C ATOM 413 O GLN A 27 2.132 15.684 0.256 1.00 0.00 O ATOM 414 CB GLN A 27 -0.368 16.880 -1.030 1.00 0.00 C ATOM 415 CG GLN A 27 -1.122 17.593 -2.150 1.00 0.00 C ATOM 416 CD GLN A 27 -1.840 18.864 -1.709 1.00 0.00 C ATOM 417 OE1 GLN A 27 -1.266 19.597 -0.766 1.00 0.00 O flip ATOM 418 NE2 GLN A 27 -2.903 19.193 -2.234 1.00 0.00 N flip ATOM 0 H GLN A 27 1.926 16.924 -2.296 1.00 0.00 H new ATOM 0 HA GLN A 27 0.674 18.562 -0.188 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.123 15.871 -1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.031 16.781 -0.170 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.419 17.843 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.853 16.905 -2.576 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -3.318 18.606 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.369 20.053 -1.946 1.00 0.00 H new ATOM 427 N ILE A 28 1.546 17.263 1.740 1.00 0.00 N ATOM 428 CA ILE A 28 2.074 16.537 2.882 1.00 0.00 C ATOM 429 C ILE A 28 0.953 15.749 3.546 1.00 0.00 C ATOM 430 O ILE A 28 0.095 16.315 4.224 1.00 0.00 O ATOM 431 CB ILE A 28 2.733 17.484 3.910 1.00 0.00 C ATOM 432 CG1 ILE A 28 3.850 18.291 3.240 1.00 0.00 C ATOM 433 CG2 ILE A 28 3.278 16.689 5.090 1.00 0.00 C ATOM 434 CD1 ILE A 28 4.525 19.282 4.164 1.00 0.00 C ATOM 0 H ILE A 28 1.153 18.177 1.965 1.00 0.00 H new ATOM 0 HA ILE A 28 2.845 15.856 2.521 1.00 0.00 H new ATOM 0 HB ILE A 28 1.980 18.177 4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.600 17.602 2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.436 18.828 2.386 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.739 17.370 5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.463 16.151 5.574 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.023 15.976 4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.304 19.815 3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.788 19.995 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.970 18.750 5.005 1.00 0.00 H new ATOM 446 N LEU A 29 0.948 14.447 3.322 1.00 0.00 N ATOM 447 CA LEU A 29 -0.114 13.598 3.826 1.00 0.00 C ATOM 448 C LEU A 29 0.315 12.892 5.103 1.00 0.00 C ATOM 449 O LEU A 29 1.341 12.214 5.139 1.00 0.00 O ATOM 450 CB LEU A 29 -0.536 12.577 2.771 1.00 0.00 C ATOM 451 CG LEU A 29 -1.117 13.177 1.491 1.00 0.00 C ATOM 452 CD1 LEU A 29 -0.123 13.064 0.344 1.00 0.00 C ATOM 453 CD2 LEU A 29 -2.434 12.504 1.143 1.00 0.00 C ATOM 0 H LEU A 29 1.669 13.955 2.794 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.970 14.232 4.056 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.329 11.968 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.276 11.908 3.210 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.311 14.236 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.557 13.497 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.791 13.600 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.110 12.014 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.836 12.942 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.269 11.437 0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.143 12.650 1.958 1.00 0.00 H new ATOM 465 N GLN A 30 -0.470 13.076 6.151 1.00 0.00 N ATOM 466 CA GLN A 30 -0.222 12.420 7.427 1.00 0.00 C ATOM 467 C GLN A 30 -1.380 11.485 7.761 1.00 0.00 C ATOM 468 O GLN A 30 -1.656 11.199 8.926 1.00 0.00 O ATOM 469 CB GLN A 30 -0.029 13.468 8.530 1.00 0.00 C ATOM 470 CG GLN A 30 -1.199 14.427 8.682 1.00 0.00 C ATOM 471 CD GLN A 30 -0.922 15.527 9.688 1.00 0.00 C ATOM 472 OE1 GLN A 30 -0.410 16.591 9.337 1.00 0.00 O ATOM 473 NE2 GLN A 30 -1.257 15.281 10.945 1.00 0.00 N ATOM 0 H GLN A 30 -1.292 13.680 6.144 1.00 0.00 H new ATOM 0 HA GLN A 30 0.691 11.828 7.357 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.134 12.957 9.479 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.873 14.042 8.318 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.427 14.873 7.714 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.083 13.870 8.992 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.679 14.387 11.195 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.093 15.986 11.664 1.00 0.00 H new ATOM 482 N GLN A 31 -2.039 11.005 6.714 1.00 0.00 N ATOM 483 CA GLN A 31 -3.189 10.122 6.853 1.00 0.00 C ATOM 484 C GLN A 31 -2.955 8.838 6.055 1.00 0.00 C ATOM 485 O GLN A 31 -1.810 8.449 5.828 1.00 0.00 O ATOM 486 CB GLN A 31 -4.458 10.833 6.367 1.00 0.00 C ATOM 487 CG GLN A 31 -4.766 12.118 7.121 1.00 0.00 C ATOM 488 CD GLN A 31 -6.047 12.779 6.651 1.00 0.00 C ATOM 489 OE1 GLN A 31 -6.975 12.112 6.203 1.00 0.00 O ATOM 490 NE2 GLN A 31 -6.105 14.097 6.752 1.00 0.00 N ATOM 0 H GLN A 31 -1.792 11.216 5.747 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.318 9.863 7.904 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -4.352 11.061 5.306 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.305 10.153 6.464 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.844 11.900 8.186 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.936 12.814 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.312 14.615 7.130 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.943 14.595 6.452 1.00 0.00 H new ATOM 499 N SER A 32 -4.031 8.181 5.644 1.00 0.00 N ATOM 500 CA SER A 32 -3.929 6.960 4.858 1.00 0.00 C ATOM 501 C SER A 32 -4.295 7.233 3.400 1.00 0.00 C ATOM 502 O SER A 32 -5.346 7.811 3.118 1.00 0.00 O ATOM 503 CB SER A 32 -4.862 5.894 5.433 1.00 0.00 C ATOM 504 OG SER A 32 -4.694 5.764 6.836 1.00 0.00 O ATOM 0 H SER A 32 -4.987 8.475 5.843 1.00 0.00 H new ATOM 0 HA SER A 32 -2.900 6.602 4.901 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.897 6.155 5.211 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.665 4.937 4.951 1.00 0.00 H new ATOM 0 HG SER A 32 -5.479 5.320 7.220 1.00 0.00 H new ATOM 510 N PHE A 33 -3.427 6.835 2.477 1.00 0.00 N ATOM 511 CA PHE A 33 -3.700 7.010 1.055 1.00 0.00 C ATOM 512 C PHE A 33 -3.024 5.917 0.232 1.00 0.00 C ATOM 513 O PHE A 33 -1.999 5.367 0.636 1.00 0.00 O ATOM 514 CB PHE A 33 -3.237 8.394 0.578 1.00 0.00 C ATOM 515 CG PHE A 33 -1.755 8.625 0.688 1.00 0.00 C ATOM 516 CD1 PHE A 33 -1.187 9.012 1.891 1.00 0.00 C ATOM 517 CD2 PHE A 33 -0.933 8.464 -0.416 1.00 0.00 C ATOM 518 CE1 PHE A 33 0.173 9.233 1.991 1.00 0.00 C ATOM 519 CE2 PHE A 33 0.427 8.682 -0.321 1.00 0.00 C ATOM 520 CZ PHE A 33 0.980 9.067 0.883 1.00 0.00 C ATOM 0 H PHE A 33 -2.533 6.391 2.686 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.778 6.935 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.537 8.526 -0.462 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.756 9.157 1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.814 9.142 2.760 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.361 8.165 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.604 9.535 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.057 8.551 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.044 9.238 0.959 1.00 0.00 H new ATOM 530 N ILE A 34 -3.609 5.604 -0.915 1.00 0.00 N ATOM 531 CA ILE A 34 -3.058 4.599 -1.812 1.00 0.00 C ATOM 532 C ILE A 34 -2.441 5.264 -3.035 1.00 0.00 C ATOM 533 O ILE A 34 -3.149 5.836 -3.869 1.00 0.00 O ATOM 534 CB ILE A 34 -4.139 3.597 -2.275 1.00 0.00 C ATOM 535 CG1 ILE A 34 -4.843 2.974 -1.066 1.00 0.00 C ATOM 536 CG2 ILE A 34 -3.519 2.513 -3.151 1.00 0.00 C ATOM 537 CD1 ILE A 34 -6.013 2.086 -1.434 1.00 0.00 C ATOM 0 H ILE A 34 -4.471 6.035 -1.248 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.293 4.055 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.881 4.135 -2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.120 2.390 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.195 3.771 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.293 1.815 -3.469 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.061 2.971 -4.028 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.759 1.977 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -6.461 1.681 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.756 2.670 -1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.664 1.267 -2.064 1.00 0.00 H new ATOM 549 N LEU A 35 -1.126 5.202 -3.135 1.00 0.00 N ATOM 550 CA LEU A 35 -0.421 5.790 -4.260 1.00 0.00 C ATOM 551 C LEU A 35 0.062 4.704 -5.212 1.00 0.00 C ATOM 552 O LEU A 35 0.700 3.736 -4.800 1.00 0.00 O ATOM 553 CB LEU A 35 0.766 6.627 -3.771 1.00 0.00 C ATOM 554 CG LEU A 35 1.627 7.249 -4.875 1.00 0.00 C ATOM 555 CD1 LEU A 35 0.809 8.209 -5.725 1.00 0.00 C ATOM 556 CD2 LEU A 35 2.823 7.964 -4.270 1.00 0.00 C ATOM 0 H LEU A 35 -0.523 4.749 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.112 6.442 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.388 7.427 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.402 5.997 -3.149 1.00 0.00 H new ATOM 0 HG LEU A 35 1.987 6.447 -5.520 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.442 8.638 -6.502 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.018 7.671 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.416 9.008 -5.096 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.426 8.401 -5.066 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.476 8.753 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.426 7.252 -3.707 1.00 0.00 H new ATOM 568 N MET A 36 -0.268 4.856 -6.482 1.00 0.00 N ATOM 569 CA MET A 36 0.191 3.935 -7.505 1.00 0.00 C ATOM 570 C MET A 36 0.912 4.711 -8.599 1.00 0.00 C ATOM 571 O MET A 36 0.691 5.913 -8.751 1.00 0.00 O ATOM 572 CB MET A 36 -0.984 3.149 -8.100 1.00 0.00 C ATOM 573 CG MET A 36 -1.708 2.268 -7.094 1.00 0.00 C ATOM 574 SD MET A 36 -3.016 1.278 -7.845 1.00 0.00 S ATOM 575 CE MET A 36 -2.067 0.249 -8.963 1.00 0.00 C ATOM 0 H MET A 36 -0.856 5.613 -6.830 1.00 0.00 H new ATOM 0 HA MET A 36 0.879 3.221 -7.052 1.00 0.00 H new ATOM 0 HB2 MET A 36 -1.697 3.851 -8.532 1.00 0.00 H new ATOM 0 HB3 MET A 36 -0.616 2.526 -8.915 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.988 1.606 -6.613 1.00 0.00 H new ATOM 0 HG3 MET A 36 -2.136 2.894 -6.312 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.433 -0.777 -8.913 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.174 0.623 -9.981 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.016 0.274 -8.676 1.00 0.00 H new ATOM 585 N PRO A 37 1.783 4.044 -9.376 1.00 0.00 N ATOM 586 CA PRO A 37 2.537 4.683 -10.466 1.00 0.00 C ATOM 587 C PRO A 37 1.634 5.209 -11.584 1.00 0.00 C ATOM 588 O PRO A 37 2.105 5.841 -12.531 1.00 0.00 O ATOM 589 CB PRO A 37 3.439 3.561 -10.998 1.00 0.00 C ATOM 590 CG PRO A 37 3.468 2.536 -9.916 1.00 0.00 C ATOM 591 CD PRO A 37 2.133 2.620 -9.237 1.00 0.00 C ATOM 0 HA PRO A 37 3.084 5.556 -10.109 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.044 3.144 -11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.441 3.931 -11.216 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.636 1.540 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.277 2.733 -9.213 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.396 1.974 -9.714 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.192 2.319 -8.191 1.00 0.00 H new ATOM 599 N ASP A 38 0.340 4.944 -11.472 1.00 0.00 N ATOM 600 CA ASP A 38 -0.627 5.406 -12.458 1.00 0.00 C ATOM 601 C ASP A 38 -1.620 6.378 -11.841 1.00 0.00 C ATOM 602 O ASP A 38 -1.700 7.539 -12.244 1.00 0.00 O ATOM 603 CB ASP A 38 -1.385 4.231 -13.081 1.00 0.00 C ATOM 604 CG ASP A 38 -0.597 3.536 -14.170 1.00 0.00 C ATOM 605 OD1 ASP A 38 -0.524 4.080 -15.294 1.00 0.00 O ATOM 606 OD2 ASP A 38 -0.061 2.438 -13.916 1.00 0.00 O ATOM 0 H ASP A 38 -0.066 4.409 -10.704 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.067 5.921 -13.239 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.633 3.510 -12.302 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.328 4.591 -13.494 1.00 0.00 H new ATOM 611 N GLU A 39 -2.372 5.903 -10.855 1.00 0.00 N ATOM 612 CA GLU A 39 -3.446 6.691 -10.270 1.00 0.00 C ATOM 613 C GLU A 39 -3.270 6.835 -8.761 1.00 0.00 C ATOM 614 O GLU A 39 -2.596 6.027 -8.121 1.00 0.00 O ATOM 615 CB GLU A 39 -4.799 6.047 -10.587 1.00 0.00 C ATOM 616 CG GLU A 39 -5.056 5.884 -12.077 1.00 0.00 C ATOM 617 CD GLU A 39 -6.416 5.293 -12.378 1.00 0.00 C ATOM 618 OE1 GLU A 39 -7.409 6.047 -12.361 1.00 0.00 O ATOM 619 OE2 GLU A 39 -6.498 4.074 -12.638 1.00 0.00 O ATOM 0 H GLU A 39 -2.257 4.976 -10.445 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.412 7.689 -10.707 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.849 5.069 -10.108 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.593 6.655 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.972 6.856 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.284 5.245 -12.506 1.00 0.00 H new ATOM 626 N LEU A 40 -3.880 7.873 -8.204 1.00 0.00 N ATOM 627 CA LEU A 40 -3.811 8.137 -6.773 1.00 0.00 C ATOM 628 C LEU A 40 -5.193 8.005 -6.142 1.00 0.00 C ATOM 629 O LEU A 40 -6.155 8.623 -6.601 1.00 0.00 O ATOM 630 CB LEU A 40 -3.252 9.543 -6.523 1.00 0.00 C ATOM 631 CG LEU A 40 -3.267 10.011 -5.063 1.00 0.00 C ATOM 632 CD1 LEU A 40 -2.383 9.124 -4.198 1.00 0.00 C ATOM 633 CD2 LEU A 40 -2.824 11.462 -4.968 1.00 0.00 C ATOM 0 H LEU A 40 -4.433 8.552 -8.727 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.146 7.404 -6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.225 9.576 -6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.824 10.254 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.289 9.934 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.411 9.477 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.746 8.097 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.358 9.162 -4.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.840 11.780 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.812 11.560 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.502 12.088 -5.548 1.00 0.00 H new ATOM 645 N VAL A 41 -5.288 7.196 -5.095 1.00 0.00 N ATOM 646 CA VAL A 41 -6.543 7.009 -4.386 1.00 0.00 C ATOM 647 C VAL A 41 -6.373 7.349 -2.909 1.00 0.00 C ATOM 648 O VAL A 41 -5.917 6.522 -2.119 1.00 0.00 O ATOM 649 CB VAL A 41 -7.071 5.562 -4.518 1.00 0.00 C ATOM 650 CG1 VAL A 41 -8.424 5.415 -3.834 1.00 0.00 C ATOM 651 CG2 VAL A 41 -7.164 5.151 -5.982 1.00 0.00 C ATOM 0 H VAL A 41 -4.507 6.658 -4.719 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.271 7.681 -4.840 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.363 4.898 -4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -8.776 4.389 -3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.325 5.657 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.141 6.094 -4.296 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.538 4.129 -6.050 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.845 5.822 -6.506 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.176 5.207 -6.439 1.00 0.00 H new ATOM 661 N GLU A 42 -6.713 8.577 -2.540 1.00 0.00 N ATOM 662 CA GLU A 42 -6.612 9.001 -1.150 1.00 0.00 C ATOM 663 C GLU A 42 -8.004 9.081 -0.521 1.00 0.00 C ATOM 664 O GLU A 42 -8.173 9.538 0.608 1.00 0.00 O ATOM 665 CB GLU A 42 -5.850 10.339 -1.042 1.00 0.00 C ATOM 666 CG GLU A 42 -6.683 11.602 -1.238 1.00 0.00 C ATOM 667 CD GLU A 42 -7.550 11.580 -2.477 1.00 0.00 C ATOM 668 OE1 GLU A 42 -7.035 11.315 -3.580 1.00 0.00 O ATOM 669 OE2 GLU A 42 -8.760 11.836 -2.344 1.00 0.00 O ATOM 0 H GLU A 42 -7.059 9.293 -3.179 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.039 8.260 -0.592 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.379 10.387 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.048 10.338 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.319 11.745 -0.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.015 12.461 -1.290 1.00 0.00 H new ATOM 676 N HIS A 43 -9.002 8.607 -1.265 1.00 0.00 N ATOM 677 CA HIS A 43 -10.376 8.532 -0.768 1.00 0.00 C ATOM 678 C HIS A 43 -10.586 7.220 -0.020 1.00 0.00 C ATOM 679 O HIS A 43 -11.608 6.554 -0.184 1.00 0.00 O ATOM 680 CB HIS A 43 -11.389 8.625 -1.921 1.00 0.00 C ATOM 681 CG HIS A 43 -11.441 9.957 -2.603 1.00 0.00 C ATOM 682 ND1 HIS A 43 -12.099 11.048 -2.081 1.00 0.00 N ATOM 683 CD2 HIS A 43 -10.919 10.366 -3.779 1.00 0.00 C ATOM 684 CE1 HIS A 43 -11.975 12.070 -2.908 1.00 0.00 C ATOM 685 NE2 HIS A 43 -11.259 11.685 -3.950 1.00 0.00 N ATOM 0 H HIS A 43 -8.884 8.267 -2.219 1.00 0.00 H new ATOM 0 HA HIS A 43 -10.536 9.374 -0.094 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -11.147 7.862 -2.661 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -12.381 8.391 -1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -10.338 9.764 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -12.390 13.056 -2.758 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -11.003 12.269 -4.746 1.00 0.00 H new ATOM 694 N TRP A 44 -9.619 6.865 0.809 1.00 0.00 N ATOM 695 CA TRP A 44 -9.629 5.581 1.496 1.00 0.00 C ATOM 696 C TRP A 44 -9.828 5.789 2.998 1.00 0.00 C ATOM 697 O TRP A 44 -8.888 6.127 3.720 1.00 0.00 O ATOM 698 CB TRP A 44 -8.317 4.845 1.207 1.00 0.00 C ATOM 699 CG TRP A 44 -8.334 3.385 1.546 1.00 0.00 C ATOM 700 CD1 TRP A 44 -9.316 2.481 1.248 1.00 0.00 C ATOM 701 CD2 TRP A 44 -7.303 2.653 2.216 1.00 0.00 C ATOM 702 NE1 TRP A 44 -8.962 1.235 1.708 1.00 0.00 N ATOM 703 CE2 TRP A 44 -7.730 1.315 2.305 1.00 0.00 C ATOM 704 CE3 TRP A 44 -6.060 3.001 2.757 1.00 0.00 C ATOM 705 CZ2 TRP A 44 -6.957 0.326 2.907 1.00 0.00 C ATOM 706 CZ3 TRP A 44 -5.295 2.017 3.355 1.00 0.00 C ATOM 707 CH2 TRP A 44 -5.747 0.694 3.427 1.00 0.00 C ATOM 0 H TRP A 44 -8.812 7.450 1.025 1.00 0.00 H new ATOM 0 HA TRP A 44 -10.458 4.974 1.132 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.078 4.956 0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -7.515 5.326 1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -10.234 2.712 0.728 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.524 0.389 1.620 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.705 4.020 2.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.301 -0.696 2.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.333 2.273 3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -5.127 -0.051 3.903 1.00 0.00 H new ATOM 718 N PRO A 45 -11.068 5.609 3.480 1.00 0.00 N ATOM 719 CA PRO A 45 -11.440 5.888 4.867 1.00 0.00 C ATOM 720 C PRO A 45 -10.993 4.798 5.840 1.00 0.00 C ATOM 721 O PRO A 45 -11.812 4.038 6.364 1.00 0.00 O ATOM 722 CB PRO A 45 -12.977 5.970 4.828 1.00 0.00 C ATOM 723 CG PRO A 45 -13.363 5.828 3.388 1.00 0.00 C ATOM 724 CD PRO A 45 -12.219 5.129 2.713 1.00 0.00 C ATOM 0 HA PRO A 45 -10.958 6.797 5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.425 5.181 5.431 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.327 6.919 5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.284 5.254 3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.544 6.803 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.318 4.045 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.145 5.394 1.658 1.00 0.00 H new ATOM 732 N VAL A 46 -9.692 4.712 6.065 1.00 0.00 N ATOM 733 CA VAL A 46 -9.145 3.791 7.051 1.00 0.00 C ATOM 734 C VAL A 46 -8.240 4.543 8.023 1.00 0.00 C ATOM 735 O VAL A 46 -7.076 4.813 7.724 1.00 0.00 O ATOM 736 CB VAL A 46 -8.358 2.636 6.392 1.00 0.00 C ATOM 737 CG1 VAL A 46 -7.796 1.691 7.446 1.00 0.00 C ATOM 738 CG2 VAL A 46 -9.242 1.874 5.417 1.00 0.00 C ATOM 0 H VAL A 46 -8.992 5.271 5.577 1.00 0.00 H new ATOM 0 HA VAL A 46 -9.985 3.354 7.591 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.524 3.069 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.246 0.886 6.957 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.125 2.240 8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.614 1.269 8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.670 1.065 4.963 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -10.098 1.459 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.593 2.551 4.638 1.00 0.00 H new ATOM 748 N PRO A 47 -8.778 4.921 9.191 1.00 0.00 N ATOM 749 CA PRO A 47 -8.028 5.656 10.208 1.00 0.00 C ATOM 750 C PRO A 47 -7.030 4.761 10.937 1.00 0.00 C ATOM 751 O PRO A 47 -7.408 4.006 11.836 1.00 0.00 O ATOM 752 CB PRO A 47 -9.109 6.159 11.180 1.00 0.00 C ATOM 753 CG PRO A 47 -10.421 5.823 10.544 1.00 0.00 C ATOM 754 CD PRO A 47 -10.158 4.673 9.618 1.00 0.00 C ATOM 0 HA PRO A 47 -7.436 6.460 9.771 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.013 5.679 12.154 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.018 7.233 11.344 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.161 5.554 11.298 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.819 6.679 9.998 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.260 3.713 10.124 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.849 4.664 8.775 1.00 0.00 H new ATOM 762 N SER A 48 -5.764 4.845 10.522 1.00 0.00 N ATOM 763 CA SER A 48 -4.684 4.038 11.092 1.00 0.00 C ATOM 764 C SER A 48 -4.862 2.555 10.749 1.00 0.00 C ATOM 765 O SER A 48 -5.949 2.111 10.369 1.00 0.00 O ATOM 766 CB SER A 48 -4.602 4.233 12.612 1.00 0.00 C ATOM 767 OG SER A 48 -4.492 5.608 12.943 1.00 0.00 O ATOM 0 H SER A 48 -5.459 5.475 9.780 1.00 0.00 H new ATOM 0 HA SER A 48 -3.747 4.377 10.650 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.489 3.811 13.085 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.743 3.691 13.006 1.00 0.00 H new ATOM 0 HG SER A 48 -4.443 5.707 13.917 1.00 0.00 H new ATOM 773 N LEU A 49 -3.792 1.783 10.876 1.00 0.00 N ATOM 774 CA LEU A 49 -3.849 0.363 10.564 1.00 0.00 C ATOM 775 C LEU A 49 -4.395 -0.425 11.754 1.00 0.00 C ATOM 776 O LEU A 49 -3.728 -1.301 12.302 1.00 0.00 O ATOM 777 CB LEU A 49 -2.466 -0.160 10.160 1.00 0.00 C ATOM 778 CG LEU A 49 -2.444 -1.604 9.652 1.00 0.00 C ATOM 779 CD1 LEU A 49 -3.312 -1.747 8.413 1.00 0.00 C ATOM 780 CD2 LEU A 49 -1.020 -2.045 9.362 1.00 0.00 C ATOM 0 H LEU A 49 -2.880 2.114 11.191 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.525 0.225 9.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.061 0.489 9.383 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.800 -0.083 11.019 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.851 -2.249 10.431 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.284 -2.780 8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.339 -1.473 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.937 -1.091 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.024 -3.074 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.586 -1.396 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.427 -1.982 10.274 1.00 0.00 H new ATOM 792 N GLY A 50 -5.605 -0.079 12.164 1.00 0.00 N ATOM 793 CA GLY A 50 -6.258 -0.795 13.241 1.00 0.00 C ATOM 794 C GLY A 50 -7.728 -1.033 12.961 1.00 0.00 C ATOM 795 O GLY A 50 -8.423 -1.662 13.755 1.00 0.00 O ATOM 0 H GLY A 50 -6.149 0.688 11.769 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.759 -1.752 13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.153 -0.230 14.167 1.00 0.00 H new ATOM 799 N GLN A 51 -8.198 -0.538 11.820 1.00 0.00 N ATOM 800 CA GLN A 51 -9.602 -0.658 11.447 1.00 0.00 C ATOM 801 C GLN A 51 -9.715 -1.206 10.022 1.00 0.00 C ATOM 802 O GLN A 51 -10.740 -1.068 9.351 1.00 0.00 O ATOM 803 CB GLN A 51 -10.282 0.714 11.573 1.00 0.00 C ATOM 804 CG GLN A 51 -11.794 0.692 11.389 1.00 0.00 C ATOM 805 CD GLN A 51 -12.442 2.031 11.690 1.00 0.00 C ATOM 806 OE1 GLN A 51 -11.900 2.753 12.659 1.00 0.00 O flip ATOM 807 NE2 GLN A 51 -13.438 2.405 11.072 1.00 0.00 N flip ATOM 0 H GLN A 51 -7.623 -0.048 11.135 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.106 -1.355 12.116 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -10.055 1.129 12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -9.849 1.389 10.834 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.027 0.403 10.364 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.224 -0.069 12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.828 1.822 10.331 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.874 3.298 11.300 1.00 0.00 H new ATOM 816 N LEU A 52 -8.653 -1.855 9.567 1.00 0.00 N ATOM 817 CA LEU A 52 -8.626 -2.392 8.218 1.00 0.00 C ATOM 818 C LEU A 52 -9.340 -3.738 8.156 1.00 0.00 C ATOM 819 O LEU A 52 -8.737 -4.790 8.364 1.00 0.00 O ATOM 820 CB LEU A 52 -7.189 -2.530 7.705 1.00 0.00 C ATOM 821 CG LEU A 52 -7.063 -3.044 6.266 1.00 0.00 C ATOM 822 CD1 LEU A 52 -7.787 -2.120 5.299 1.00 0.00 C ATOM 823 CD2 LEU A 52 -5.601 -3.188 5.874 1.00 0.00 C ATOM 0 H LEU A 52 -7.805 -2.021 10.109 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.152 -1.689 7.573 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.700 -1.558 7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.646 -3.206 8.366 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.531 -4.027 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.685 -2.503 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.843 -2.071 5.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.353 -1.122 5.355 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.533 -3.554 4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.108 -2.219 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.112 -3.895 6.545 1.00 0.00 H new ATOM 835 N GLN A 53 -10.639 -3.684 7.915 1.00 0.00 N ATOM 836 CA GLN A 53 -11.432 -4.882 7.693 1.00 0.00 C ATOM 837 C GLN A 53 -11.433 -5.224 6.205 1.00 0.00 C ATOM 838 O GLN A 53 -11.175 -4.351 5.371 1.00 0.00 O ATOM 839 CB GLN A 53 -12.866 -4.674 8.189 1.00 0.00 C ATOM 840 CG GLN A 53 -12.971 -4.471 9.690 1.00 0.00 C ATOM 841 CD GLN A 53 -14.407 -4.367 10.162 1.00 0.00 C ATOM 842 OE1 GLN A 53 -15.039 -5.372 10.487 1.00 0.00 O ATOM 843 NE2 GLN A 53 -14.937 -3.156 10.203 1.00 0.00 N ATOM 0 H GLN A 53 -11.171 -2.815 7.868 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.993 -5.708 8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -13.293 -3.808 7.684 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.468 -5.538 7.905 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -12.483 -5.301 10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -12.433 -3.565 9.969 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -14.382 -2.347 9.926 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -15.901 -3.031 10.512 1.00 0.00 H new ATOM 852 N PRO A 54 -11.728 -6.487 5.846 1.00 0.00 N ATOM 853 CA PRO A 54 -11.742 -6.929 4.446 1.00 0.00 C ATOM 854 C PRO A 54 -12.658 -6.073 3.575 1.00 0.00 C ATOM 855 O PRO A 54 -12.378 -5.853 2.398 1.00 0.00 O ATOM 856 CB PRO A 54 -12.259 -8.367 4.524 1.00 0.00 C ATOM 857 CG PRO A 54 -11.931 -8.810 5.906 1.00 0.00 C ATOM 858 CD PRO A 54 -12.067 -7.588 6.768 1.00 0.00 C ATOM 0 HA PRO A 54 -10.757 -6.846 3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.332 -8.413 4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -11.778 -9.002 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.608 -9.599 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.920 -9.215 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.077 -7.485 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.391 -7.620 7.623 1.00 0.00 H new ATOM 866 N ALA A 55 -13.743 -5.579 4.167 1.00 0.00 N ATOM 867 CA ALA A 55 -14.676 -4.703 3.466 1.00 0.00 C ATOM 868 C ALA A 55 -13.995 -3.417 2.998 1.00 0.00 C ATOM 869 O ALA A 55 -14.350 -2.863 1.963 1.00 0.00 O ATOM 870 CB ALA A 55 -15.864 -4.376 4.359 1.00 0.00 C ATOM 0 H ALA A 55 -13.998 -5.772 5.136 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.030 -5.233 2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.552 -3.722 3.824 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.378 -5.297 4.633 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.514 -3.874 5.261 1.00 0.00 H new ATOM 876 N HIS A 56 -13.005 -2.953 3.757 1.00 0.00 N ATOM 877 CA HIS A 56 -12.285 -1.724 3.418 1.00 0.00 C ATOM 878 C HIS A 56 -11.111 -2.015 2.487 1.00 0.00 C ATOM 879 O HIS A 56 -10.652 -1.138 1.757 1.00 0.00 O ATOM 880 CB HIS A 56 -11.774 -1.026 4.683 1.00 0.00 C ATOM 881 CG HIS A 56 -12.774 -0.129 5.353 1.00 0.00 C ATOM 882 ND1 HIS A 56 -12.618 0.747 6.374 1.00 0.00 N flip ATOM 883 CD2 HIS A 56 -14.101 -0.043 4.982 1.00 0.00 C flip ATOM 884 CE1 HIS A 56 -13.836 1.335 6.595 1.00 0.00 C flip ATOM 885 NE2 HIS A 56 -14.712 0.844 5.745 1.00 0.00 N flip ATOM 0 H HIS A 56 -12.682 -3.408 4.611 1.00 0.00 H new ATOM 0 HA HIS A 56 -12.986 -1.065 2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -11.453 -1.785 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -10.893 -0.437 4.426 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -14.566 -0.612 4.191 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -14.044 2.082 7.347 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.696 1.105 5.686 1.00 0.00 H new ATOM 894 N MET A 57 -10.629 -3.251 2.521 1.00 0.00 N ATOM 895 CA MET A 57 -9.485 -3.655 1.706 1.00 0.00 C ATOM 896 C MET A 57 -9.949 -4.124 0.327 1.00 0.00 C ATOM 897 O MET A 57 -9.158 -4.234 -0.614 1.00 0.00 O ATOM 898 CB MET A 57 -8.713 -4.773 2.417 1.00 0.00 C ATOM 899 CG MET A 57 -7.399 -5.146 1.747 1.00 0.00 C ATOM 900 SD MET A 57 -6.209 -3.792 1.751 1.00 0.00 S ATOM 901 CE MET A 57 -4.807 -4.579 0.965 1.00 0.00 C ATOM 0 H MET A 57 -11.012 -3.994 3.105 1.00 0.00 H new ATOM 0 HA MET A 57 -8.827 -2.797 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.510 -4.464 3.442 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.345 -5.659 2.470 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.966 -6.006 2.258 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.594 -5.451 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.984 -3.868 0.893 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.493 -5.439 1.557 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.089 -4.910 -0.034 1.00 0.00 H new ATOM 911 N ASP A 58 -11.246 -4.381 0.218 1.00 0.00 N ATOM 912 CA ASP A 58 -11.845 -4.902 -1.008 1.00 0.00 C ATOM 913 C ASP A 58 -11.615 -3.962 -2.189 1.00 0.00 C ATOM 914 O ASP A 58 -11.416 -4.410 -3.316 1.00 0.00 O ATOM 915 CB ASP A 58 -13.343 -5.128 -0.800 1.00 0.00 C ATOM 916 CG ASP A 58 -14.012 -5.754 -2.006 1.00 0.00 C ATOM 917 OD1 ASP A 58 -13.897 -6.984 -2.179 1.00 0.00 O ATOM 918 OD2 ASP A 58 -14.672 -5.022 -2.777 1.00 0.00 O ATOM 0 H ASP A 58 -11.914 -4.235 0.975 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.363 -5.851 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.492 -5.771 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -13.823 -4.175 -0.577 1.00 0.00 H new ATOM 923 N ALA A 59 -11.626 -2.661 -1.920 1.00 0.00 N ATOM 924 CA ALA A 59 -11.397 -1.657 -2.953 1.00 0.00 C ATOM 925 C ALA A 59 -10.031 -1.840 -3.602 1.00 0.00 C ATOM 926 O ALA A 59 -9.887 -1.703 -4.816 1.00 0.00 O ATOM 927 CB ALA A 59 -11.524 -0.259 -2.369 1.00 0.00 C ATOM 0 H ALA A 59 -11.792 -2.275 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.156 -1.786 -3.724 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.350 0.479 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.525 -0.125 -1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.787 -0.127 -1.576 1.00 0.00 H new ATOM 933 N VAL A 60 -9.038 -2.171 -2.790 1.00 0.00 N ATOM 934 CA VAL A 60 -7.686 -2.382 -3.284 1.00 0.00 C ATOM 935 C VAL A 60 -7.641 -3.633 -4.154 1.00 0.00 C ATOM 936 O VAL A 60 -6.994 -3.657 -5.203 1.00 0.00 O ATOM 937 CB VAL A 60 -6.676 -2.529 -2.125 1.00 0.00 C ATOM 938 CG1 VAL A 60 -5.249 -2.542 -2.651 1.00 0.00 C ATOM 939 CG2 VAL A 60 -6.865 -1.417 -1.103 1.00 0.00 C ATOM 0 H VAL A 60 -9.144 -2.299 -1.784 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.407 -1.508 -3.873 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.863 -3.482 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.555 -2.646 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.121 -3.380 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.047 -1.609 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.144 -1.539 -0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.711 -0.451 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.876 -1.464 -0.697 1.00 0.00 H new ATOM 949 N LEU A 61 -8.358 -4.662 -3.719 1.00 0.00 N ATOM 950 CA LEU A 61 -8.432 -5.916 -4.461 1.00 0.00 C ATOM 951 C LEU A 61 -9.216 -5.734 -5.760 1.00 0.00 C ATOM 952 O LEU A 61 -9.009 -6.466 -6.726 1.00 0.00 O ATOM 953 CB LEU A 61 -9.082 -7.002 -3.601 1.00 0.00 C ATOM 954 CG LEU A 61 -8.331 -7.350 -2.312 1.00 0.00 C ATOM 955 CD1 LEU A 61 -9.090 -8.403 -1.522 1.00 0.00 C ATOM 956 CD2 LEU A 61 -6.923 -7.835 -2.628 1.00 0.00 C ATOM 0 H LEU A 61 -8.898 -4.653 -2.854 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.417 -6.224 -4.713 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -10.090 -6.681 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -9.181 -7.907 -4.200 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.256 -6.448 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.542 -8.638 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.078 -8.022 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.195 -9.305 -2.125 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.405 -8.077 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.977 -8.724 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.378 -7.051 -3.154 1.00 0.00 H new ATOM 968 N ALA A 62 -10.112 -4.753 -5.771 1.00 0.00 N ATOM 969 CA ALA A 62 -10.894 -4.435 -6.961 1.00 0.00 C ATOM 970 C ALA A 62 -10.039 -3.714 -8.001 1.00 0.00 C ATOM 971 O ALA A 62 -10.280 -3.826 -9.203 1.00 0.00 O ATOM 972 CB ALA A 62 -12.106 -3.590 -6.593 1.00 0.00 C ATOM 0 H ALA A 62 -10.316 -4.162 -4.965 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.241 -5.372 -7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.678 -3.362 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.735 -4.141 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.775 -2.661 -6.129 1.00 0.00 H new ATOM 978 N LEU A 63 -9.045 -2.968 -7.532 1.00 0.00 N ATOM 979 CA LEU A 63 -8.115 -2.283 -8.424 1.00 0.00 C ATOM 980 C LEU A 63 -7.181 -3.288 -9.089 1.00 0.00 C ATOM 981 O LEU A 63 -6.810 -3.130 -10.254 1.00 0.00 O ATOM 982 CB LEU A 63 -7.299 -1.243 -7.651 1.00 0.00 C ATOM 983 CG LEU A 63 -8.117 -0.130 -6.989 1.00 0.00 C ATOM 984 CD1 LEU A 63 -7.209 0.803 -6.202 1.00 0.00 C ATOM 985 CD2 LEU A 63 -8.906 0.649 -8.032 1.00 0.00 C ATOM 0 H LEU A 63 -8.862 -2.822 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.692 -1.773 -9.196 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.724 -1.756 -6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.582 -0.787 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.823 -0.589 -6.297 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -7.807 1.588 -5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.689 0.238 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.479 1.253 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.480 1.435 -7.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.218 1.096 -8.749 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.585 -0.026 -8.553 1.00 0.00 H new ATOM 997 N ASN A 64 -6.829 -4.326 -8.330 1.00 0.00 N ATOM 998 CA ASN A 64 -5.946 -5.400 -8.794 1.00 0.00 C ATOM 999 C ASN A 64 -4.555 -4.880 -9.138 1.00 0.00 C ATOM 1000 O ASN A 64 -4.239 -4.640 -10.305 1.00 0.00 O ATOM 1001 CB ASN A 64 -6.529 -6.148 -10.001 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.796 -6.911 -9.669 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.746 -8.044 -9.185 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -8.940 -6.310 -9.947 1.00 0.00 N ATOM 0 H ASN A 64 -7.150 -4.447 -7.369 1.00 0.00 H new ATOM 0 HA ASN A 64 -5.863 -6.101 -7.963 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.740 -5.434 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -5.783 -6.843 -10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.824 -6.785 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.939 -5.372 -10.347 1.00 0.00 H new ATOM 1011 N PRO A 65 -3.709 -4.677 -8.121 1.00 0.00 N ATOM 1012 CA PRO A 65 -2.322 -4.290 -8.318 1.00 0.00 C ATOM 1013 C PRO A 65 -1.409 -5.507 -8.435 1.00 0.00 C ATOM 1014 O PRO A 65 -1.836 -6.638 -8.208 1.00 0.00 O ATOM 1015 CB PRO A 65 -2.017 -3.510 -7.044 1.00 0.00 C ATOM 1016 CG PRO A 65 -2.860 -4.155 -5.991 1.00 0.00 C ATOM 1017 CD PRO A 65 -4.039 -4.793 -6.691 1.00 0.00 C ATOM 0 HA PRO A 65 -2.162 -3.724 -9.235 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.958 -3.564 -6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.264 -2.455 -7.157 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.286 -4.903 -5.444 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -3.198 -3.417 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -4.164 -5.834 -6.393 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -4.970 -4.279 -6.453 1.00 0.00 H new ATOM 1025 N ALA A 66 -0.156 -5.276 -8.789 1.00 0.00 N ATOM 1026 CA ALA A 66 0.813 -6.355 -8.876 1.00 0.00 C ATOM 1027 C ALA A 66 1.269 -6.754 -7.483 1.00 0.00 C ATOM 1028 O ALA A 66 1.279 -7.933 -7.129 1.00 0.00 O ATOM 1029 CB ALA A 66 2.004 -5.944 -9.726 1.00 0.00 C ATOM 0 H ALA A 66 0.213 -4.354 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 66 0.337 -7.212 -9.353 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.716 -6.768 -9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.665 -5.695 -10.731 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.486 -5.074 -9.280 1.00 0.00 H new ATOM 1035 N VAL A 67 1.628 -5.757 -6.692 1.00 0.00 N ATOM 1036 CA VAL A 67 2.058 -5.983 -5.321 1.00 0.00 C ATOM 1037 C VAL A 67 1.618 -4.811 -4.448 1.00 0.00 C ATOM 1038 O VAL A 67 1.532 -3.680 -4.923 1.00 0.00 O ATOM 1039 CB VAL A 67 3.594 -6.181 -5.239 1.00 0.00 C ATOM 1040 CG1 VAL A 67 4.332 -4.969 -5.785 1.00 0.00 C ATOM 1041 CG2 VAL A 67 4.035 -6.488 -3.814 1.00 0.00 C ATOM 0 H VAL A 67 1.630 -4.778 -6.977 1.00 0.00 H new ATOM 0 HA VAL A 67 1.591 -6.898 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 67 3.850 -7.039 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.407 -5.136 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.056 -4.814 -6.828 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.063 -4.087 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.116 -6.622 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.756 -5.661 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.548 -7.401 -3.471 1.00 0.00 H new ATOM 1051 N ILE A 68 1.302 -5.084 -3.193 1.00 0.00 N ATOM 1052 CA ILE A 68 0.838 -4.047 -2.285 1.00 0.00 C ATOM 1053 C ILE A 68 1.860 -3.793 -1.184 1.00 0.00 C ATOM 1054 O ILE A 68 2.236 -4.708 -0.451 1.00 0.00 O ATOM 1055 CB ILE A 68 -0.511 -4.424 -1.637 1.00 0.00 C ATOM 1056 CG1 ILE A 68 -1.545 -4.759 -2.713 1.00 0.00 C ATOM 1057 CG2 ILE A 68 -1.013 -3.285 -0.755 1.00 0.00 C ATOM 1058 CD1 ILE A 68 -2.862 -5.259 -2.159 1.00 0.00 C ATOM 0 H ILE A 68 1.358 -6.015 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 68 0.706 -3.142 -2.878 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.361 -5.306 -1.014 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.729 -3.870 -3.316 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.131 -5.516 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.965 -3.566 -0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.285 -3.086 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.148 -2.389 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.544 -5.476 -2.981 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.692 -6.167 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.300 -4.495 -1.516 1.00 0.00 H new ATOM 1070 N LEU A 69 2.308 -2.552 -1.079 1.00 0.00 N ATOM 1071 CA LEU A 69 3.209 -2.152 -0.012 1.00 0.00 C ATOM 1072 C LEU A 69 2.455 -1.315 1.005 1.00 0.00 C ATOM 1073 O LEU A 69 2.106 -0.164 0.744 1.00 0.00 O ATOM 1074 CB LEU A 69 4.396 -1.359 -0.560 1.00 0.00 C ATOM 1075 CG LEU A 69 5.390 -2.161 -1.398 1.00 0.00 C ATOM 1076 CD1 LEU A 69 6.471 -1.246 -1.947 1.00 0.00 C ATOM 1077 CD2 LEU A 69 6.006 -3.275 -0.569 1.00 0.00 C ATOM 0 H LEU A 69 2.060 -1.801 -1.724 1.00 0.00 H new ATOM 0 HA LEU A 69 3.595 -3.052 0.467 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.014 -0.539 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.931 -0.912 0.278 1.00 0.00 H new ATOM 0 HG LEU A 69 4.857 -2.611 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.173 -1.829 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.015 -0.478 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.001 -0.773 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.712 -3.837 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.529 -2.846 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.220 -3.943 -0.216 1.00 0.00 H new ATOM 1089 N LEU A 70 2.183 -1.908 2.150 1.00 0.00 N ATOM 1090 CA LEU A 70 1.448 -1.238 3.202 1.00 0.00 C ATOM 1091 C LEU A 70 2.409 -0.523 4.141 1.00 0.00 C ATOM 1092 O LEU A 70 3.306 -1.142 4.713 1.00 0.00 O ATOM 1093 CB LEU A 70 0.607 -2.258 3.973 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.275 -1.687 5.084 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -1.290 -0.706 4.518 1.00 0.00 C ATOM 1096 CD2 LEU A 70 -0.977 -2.814 5.823 1.00 0.00 C ATOM 0 H LEU A 70 2.464 -2.862 2.376 1.00 0.00 H new ATOM 0 HA LEU A 70 0.784 -0.496 2.758 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.030 -2.786 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.278 -2.997 4.411 1.00 0.00 H new ATOM 0 HG LEU A 70 0.359 -1.147 5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.906 -0.313 5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.768 0.115 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.925 -1.217 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.603 -2.397 6.612 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.599 -3.375 5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.234 -3.479 6.262 1.00 0.00 H new ATOM 1108 N GLY A 71 2.233 0.782 4.267 1.00 0.00 N ATOM 1109 CA GLY A 71 3.045 1.559 5.178 1.00 0.00 C ATOM 1110 C GLY A 71 2.328 1.798 6.487 1.00 0.00 C ATOM 1111 O GLY A 71 1.189 2.256 6.495 1.00 0.00 O ATOM 0 H GLY A 71 1.537 1.320 3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.984 1.039 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.296 2.515 4.719 1.00 0.00 H new ATOM 1115 N THR A 72 2.987 1.485 7.586 1.00 0.00 N ATOM 1116 CA THR A 72 2.386 1.600 8.906 1.00 0.00 C ATOM 1117 C THR A 72 2.698 2.943 9.567 1.00 0.00 C ATOM 1118 O THR A 72 2.394 3.145 10.741 1.00 0.00 O ATOM 1119 CB THR A 72 2.901 0.469 9.814 1.00 0.00 C ATOM 1120 OG1 THR A 72 4.336 0.436 9.778 1.00 0.00 O ATOM 1121 CG2 THR A 72 2.352 -0.877 9.369 1.00 0.00 C ATOM 0 H THR A 72 3.949 1.145 7.592 1.00 0.00 H new ATOM 0 HA THR A 72 1.306 1.527 8.776 1.00 0.00 H new ATOM 0 HB THR A 72 2.561 0.663 10.831 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.685 0.379 10.692 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.731 -1.660 10.026 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.263 -0.859 9.416 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.668 -1.079 8.346 1.00 0.00 H new ATOM 1129 N GLY A 73 3.235 3.882 8.795 1.00 0.00 N ATOM 1130 CA GLY A 73 3.820 5.075 9.378 1.00 0.00 C ATOM 1131 C GLY A 73 4.985 4.740 10.287 1.00 0.00 C ATOM 1132 O GLY A 73 6.140 4.715 9.852 1.00 0.00 O ATOM 0 H GLY A 73 3.275 3.838 7.777 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.158 5.740 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.060 5.614 9.944 1.00 0.00 H new ATOM 1136 N GLU A 74 4.674 4.460 11.541 1.00 0.00 N ATOM 1137 CA GLU A 74 5.666 4.047 12.517 1.00 0.00 C ATOM 1138 C GLU A 74 5.251 2.708 13.111 1.00 0.00 C ATOM 1139 O GLU A 74 4.105 2.290 12.946 1.00 0.00 O ATOM 1140 CB GLU A 74 5.806 5.088 13.629 1.00 0.00 C ATOM 1141 CG GLU A 74 6.311 6.439 13.152 1.00 0.00 C ATOM 1142 CD GLU A 74 6.506 7.415 14.294 1.00 0.00 C ATOM 1143 OE1 GLU A 74 7.608 7.429 14.888 1.00 0.00 O ATOM 1144 OE2 GLU A 74 5.561 8.165 14.605 1.00 0.00 O ATOM 0 H GLU A 74 3.725 4.513 11.911 1.00 0.00 H new ATOM 0 HA GLU A 74 6.631 3.951 12.020 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.837 5.223 14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.488 4.704 14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.256 6.306 12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.603 6.857 12.436 1.00 0.00 H new ATOM 1151 N ARG A 75 6.180 2.054 13.806 1.00 0.00 N ATOM 1152 CA ARG A 75 5.945 0.749 14.415 1.00 0.00 C ATOM 1153 C ARG A 75 5.695 -0.324 13.354 1.00 0.00 C ATOM 1154 O ARG A 75 5.551 -0.026 12.168 1.00 0.00 O ATOM 1155 CB ARG A 75 4.763 0.804 15.381 1.00 0.00 C ATOM 1156 CG ARG A 75 4.836 1.929 16.401 1.00 0.00 C ATOM 1157 CD ARG A 75 3.691 1.837 17.394 1.00 0.00 C ATOM 1158 NE ARG A 75 3.760 0.604 18.175 1.00 0.00 N ATOM 1159 CZ ARG A 75 2.793 -0.310 18.228 1.00 0.00 C ATOM 1160 NH1 ARG A 75 1.646 -0.122 17.582 1.00 0.00 N ATOM 1161 NH2 ARG A 75 2.977 -1.411 18.940 1.00 0.00 N ATOM 0 H ARG A 75 7.120 2.417 13.962 1.00 0.00 H new ATOM 0 HA ARG A 75 6.845 0.484 14.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.844 0.911 14.805 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.698 -0.146 15.911 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.787 1.883 16.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.803 2.891 15.890 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.719 2.696 18.064 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.741 1.879 16.861 1.00 0.00 H new ATOM 0 HE ARG A 75 4.607 0.432 18.717 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.500 0.729 17.039 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.912 -0.829 17.630 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.854 -1.553 19.442 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.242 -2.117 18.987 1.00 0.00 H new ATOM 1175 N GLN A 76 5.665 -1.575 13.782 1.00 0.00 N ATOM 1176 CA GLN A 76 5.321 -2.664 12.884 1.00 0.00 C ATOM 1177 C GLN A 76 3.959 -3.230 13.232 1.00 0.00 C ATOM 1178 O GLN A 76 3.757 -3.802 14.302 1.00 0.00 O ATOM 1179 CB GLN A 76 6.374 -3.771 12.910 1.00 0.00 C ATOM 1180 CG GLN A 76 7.668 -3.375 12.230 1.00 0.00 C ATOM 1181 CD GLN A 76 8.528 -4.567 11.859 1.00 0.00 C ATOM 1182 OE1 GLN A 76 8.426 -5.100 10.754 1.00 0.00 O ATOM 1183 NE2 GLN A 76 9.360 -5.015 12.784 1.00 0.00 N ATOM 0 H GLN A 76 5.873 -1.860 14.739 1.00 0.00 H new ATOM 0 HA GLN A 76 5.289 -2.257 11.873 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.582 -4.042 13.945 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.971 -4.659 12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.440 -2.804 11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 76 8.233 -2.717 12.890 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.417 -4.547 13.688 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.945 -5.829 12.593 1.00 0.00 H new ATOM 1192 N GLN A 77 3.029 -3.041 12.318 1.00 0.00 N ATOM 1193 CA GLN A 77 1.675 -3.540 12.486 1.00 0.00 C ATOM 1194 C GLN A 77 1.254 -4.286 11.231 1.00 0.00 C ATOM 1195 O GLN A 77 1.811 -4.064 10.156 1.00 0.00 O ATOM 1196 CB GLN A 77 0.703 -2.391 12.779 1.00 0.00 C ATOM 1197 CG GLN A 77 1.026 -1.633 14.060 1.00 0.00 C ATOM 1198 CD GLN A 77 0.024 -0.537 14.378 1.00 0.00 C ATOM 1199 OE1 GLN A 77 0.370 0.478 14.982 1.00 0.00 O ATOM 1200 NE2 GLN A 77 -1.227 -0.735 13.985 1.00 0.00 N ATOM 0 H GLN A 77 3.186 -2.541 11.443 1.00 0.00 H new ATOM 0 HA GLN A 77 1.651 -4.222 13.336 1.00 0.00 H new ATOM 0 HB2 GLN A 77 0.714 -1.694 11.941 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.309 -2.790 12.848 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.060 -2.337 14.892 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.020 -1.193 13.973 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.476 -1.589 13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.940 -0.033 14.181 1.00 0.00 H new ATOM 1209 N PHE A 78 0.281 -5.167 11.363 1.00 0.00 N ATOM 1210 CA PHE A 78 -0.168 -5.974 10.243 1.00 0.00 C ATOM 1211 C PHE A 78 -1.687 -6.047 10.217 1.00 0.00 C ATOM 1212 O PHE A 78 -2.334 -5.909 11.257 1.00 0.00 O ATOM 1213 CB PHE A 78 0.441 -7.385 10.316 1.00 0.00 C ATOM 1214 CG PHE A 78 0.132 -8.128 11.591 1.00 0.00 C ATOM 1215 CD1 PHE A 78 0.929 -7.969 12.715 1.00 0.00 C ATOM 1216 CD2 PHE A 78 -0.952 -8.989 11.665 1.00 0.00 C ATOM 1217 CE1 PHE A 78 0.648 -8.648 13.885 1.00 0.00 C ATOM 1218 CE2 PHE A 78 -1.237 -9.672 12.832 1.00 0.00 C ATOM 1219 CZ PHE A 78 -0.436 -9.501 13.943 1.00 0.00 C ATOM 0 H PHE A 78 -0.215 -5.343 12.237 1.00 0.00 H new ATOM 0 HA PHE A 78 0.170 -5.503 9.320 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.077 -7.970 9.471 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.523 -7.307 10.207 1.00 0.00 H new ATOM 0 HD1 PHE A 78 1.780 -7.306 12.675 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.582 -9.128 10.799 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.276 -8.512 14.753 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.085 -10.339 12.875 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.657 -10.034 14.856 1.00 0.00 H new ATOM 1229 N PRO A 79 -2.279 -6.230 9.027 1.00 0.00 N ATOM 1230 CA PRO A 79 -3.721 -6.419 8.893 1.00 0.00 C ATOM 1231 C PRO A 79 -4.157 -7.754 9.482 1.00 0.00 C ATOM 1232 O PRO A 79 -3.349 -8.674 9.614 1.00 0.00 O ATOM 1233 CB PRO A 79 -3.952 -6.398 7.380 1.00 0.00 C ATOM 1234 CG PRO A 79 -2.643 -6.792 6.788 1.00 0.00 C ATOM 1235 CD PRO A 79 -1.591 -6.264 7.723 1.00 0.00 C ATOM 0 HA PRO A 79 -4.293 -5.657 9.423 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -4.741 -7.092 7.091 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.258 -5.408 7.040 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.569 -7.875 6.689 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.524 -6.372 5.789 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -0.714 -6.911 7.748 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -1.248 -5.274 7.424 1.00 0.00 H new ATOM 1243 N SER A 80 -5.429 -7.856 9.835 1.00 0.00 N ATOM 1244 CA SER A 80 -5.956 -9.071 10.436 1.00 0.00 C ATOM 1245 C SER A 80 -5.755 -10.270 9.508 1.00 0.00 C ATOM 1246 O SER A 80 -5.710 -10.122 8.281 1.00 0.00 O ATOM 1247 CB SER A 80 -7.436 -8.887 10.748 1.00 0.00 C ATOM 1248 OG SER A 80 -7.664 -7.678 11.452 1.00 0.00 O ATOM 0 H SER A 80 -6.116 -7.111 9.716 1.00 0.00 H new ATOM 0 HA SER A 80 -5.414 -9.266 11.361 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.009 -8.885 9.820 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.793 -9.729 11.341 1.00 0.00 H new ATOM 0 HG SER A 80 -8.621 -7.583 11.638 1.00 0.00 H new ATOM 1254 N THR A 81 -5.642 -11.454 10.096 1.00 0.00 N ATOM 1255 CA THR A 81 -5.376 -12.673 9.342 1.00 0.00 C ATOM 1256 C THR A 81 -6.468 -12.922 8.301 1.00 0.00 C ATOM 1257 O THR A 81 -6.189 -13.362 7.184 1.00 0.00 O ATOM 1258 CB THR A 81 -5.280 -13.887 10.286 1.00 0.00 C ATOM 1259 OG1 THR A 81 -4.534 -13.530 11.460 1.00 0.00 O ATOM 1260 CG2 THR A 81 -4.606 -15.064 9.594 1.00 0.00 C ATOM 0 H THR A 81 -5.731 -11.597 11.102 1.00 0.00 H new ATOM 0 HA THR A 81 -4.423 -12.542 8.829 1.00 0.00 H new ATOM 0 HB THR A 81 -6.291 -14.183 10.566 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.476 -14.304 12.059 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.551 -15.908 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.185 -15.349 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 81 -3.599 -14.779 9.288 1.00 0.00 H new ATOM 1268 N ASP A 82 -7.705 -12.599 8.664 1.00 0.00 N ATOM 1269 CA ASP A 82 -8.847 -12.796 7.775 1.00 0.00 C ATOM 1270 C ASP A 82 -8.837 -11.775 6.640 1.00 0.00 C ATOM 1271 O ASP A 82 -9.499 -11.960 5.618 1.00 0.00 O ATOM 1272 CB ASP A 82 -10.163 -12.708 8.559 1.00 0.00 C ATOM 1273 CG ASP A 82 -10.390 -11.347 9.192 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -9.687 -11.017 10.173 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -11.279 -10.606 8.721 1.00 0.00 O ATOM 0 H ASP A 82 -7.944 -12.198 9.571 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.767 -13.792 7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.993 -12.934 7.890 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.166 -13.470 9.339 1.00 0.00 H new ATOM 1280 N VAL A 83 -8.071 -10.707 6.820 1.00 0.00 N ATOM 1281 CA VAL A 83 -7.930 -9.682 5.796 1.00 0.00 C ATOM 1282 C VAL A 83 -6.790 -10.047 4.850 1.00 0.00 C ATOM 1283 O VAL A 83 -6.935 -9.985 3.628 1.00 0.00 O ATOM 1284 CB VAL A 83 -7.645 -8.297 6.417 1.00 0.00 C ATOM 1285 CG1 VAL A 83 -7.650 -7.210 5.352 1.00 0.00 C ATOM 1286 CG2 VAL A 83 -8.654 -7.980 7.507 1.00 0.00 C ATOM 0 H VAL A 83 -7.536 -10.528 7.670 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.871 -9.630 5.249 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.652 -8.328 6.865 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.447 -6.245 5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.881 -7.425 4.609 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.625 -7.181 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.435 -7.000 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.658 -7.976 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -8.594 -8.736 8.290 1.00 0.00 H new ATOM 1296 N LEU A 84 -5.663 -10.444 5.432 1.00 0.00 N ATOM 1297 CA LEU A 84 -4.482 -10.822 4.663 1.00 0.00 C ATOM 1298 C LEU A 84 -4.797 -12.019 3.768 1.00 0.00 C ATOM 1299 O LEU A 84 -4.389 -12.063 2.604 1.00 0.00 O ATOM 1300 CB LEU A 84 -3.320 -11.137 5.622 1.00 0.00 C ATOM 1301 CG LEU A 84 -1.928 -11.271 4.986 1.00 0.00 C ATOM 1302 CD1 LEU A 84 -0.850 -11.047 6.035 1.00 0.00 C ATOM 1303 CD2 LEU A 84 -1.741 -12.640 4.348 1.00 0.00 C ATOM 0 H LEU A 84 -5.542 -10.513 6.443 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.185 -9.992 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.277 -10.351 6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.549 -12.067 6.143 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.843 -10.514 4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.133 -11.144 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.955 -10.048 6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.954 -11.788 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.746 -12.703 3.907 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.851 -13.414 5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.492 -12.785 3.572 1.00 0.00 H new ATOM 1315 N ALA A 85 -5.548 -12.972 4.315 1.00 0.00 N ATOM 1316 CA ALA A 85 -5.926 -14.176 3.584 1.00 0.00 C ATOM 1317 C ALA A 85 -6.664 -13.838 2.292 1.00 0.00 C ATOM 1318 O ALA A 85 -6.466 -14.494 1.272 1.00 0.00 O ATOM 1319 CB ALA A 85 -6.786 -15.076 4.458 1.00 0.00 C ATOM 0 H ALA A 85 -5.908 -12.932 5.268 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.010 -14.704 3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.061 -15.971 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.226 -15.362 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.689 -14.541 4.753 1.00 0.00 H new ATOM 1325 N ALA A 86 -7.497 -12.802 2.336 1.00 0.00 N ATOM 1326 CA ALA A 86 -8.282 -12.398 1.173 1.00 0.00 C ATOM 1327 C ALA A 86 -7.378 -11.922 0.038 1.00 0.00 C ATOM 1328 O ALA A 86 -7.633 -12.197 -1.134 1.00 0.00 O ATOM 1329 CB ALA A 86 -9.274 -11.309 1.557 1.00 0.00 C ATOM 0 H ALA A 86 -7.646 -12.227 3.165 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.836 -13.268 0.819 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.852 -11.018 0.680 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.947 -11.685 2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.734 -10.443 1.939 1.00 0.00 H new ATOM 1335 N CYS A 87 -6.312 -11.223 0.395 1.00 0.00 N ATOM 1336 CA CYS A 87 -5.362 -10.724 -0.589 1.00 0.00 C ATOM 1337 C CYS A 87 -4.488 -11.864 -1.107 1.00 0.00 C ATOM 1338 O CYS A 87 -4.197 -11.952 -2.305 1.00 0.00 O ATOM 1339 CB CYS A 87 -4.493 -9.627 0.031 1.00 0.00 C ATOM 1340 SG CYS A 87 -3.329 -8.857 -1.118 1.00 0.00 S ATOM 0 H CYS A 87 -6.082 -10.988 1.360 1.00 0.00 H new ATOM 0 HA CYS A 87 -5.914 -10.302 -1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -5.143 -8.855 0.442 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.934 -10.051 0.865 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.527 -9.762 -1.595 1.00 0.00 H new ATOM 1346 N LEU A 88 -4.092 -12.745 -0.194 1.00 0.00 N ATOM 1347 CA LEU A 88 -3.221 -13.866 -0.523 1.00 0.00 C ATOM 1348 C LEU A 88 -3.929 -14.833 -1.471 1.00 0.00 C ATOM 1349 O LEU A 88 -3.351 -15.269 -2.466 1.00 0.00 O ATOM 1350 CB LEU A 88 -2.784 -14.579 0.768 1.00 0.00 C ATOM 1351 CG LEU A 88 -1.603 -15.555 0.641 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -0.965 -15.786 2.002 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -2.046 -16.887 0.052 1.00 0.00 C ATOM 0 H LEU A 88 -4.364 -12.702 0.788 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.332 -13.492 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.523 -13.821 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.640 -15.127 1.163 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.873 -15.107 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.130 -16.479 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.603 -14.838 2.400 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.704 -16.207 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.188 -17.554 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.800 -17.338 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.468 -16.724 -0.940 1.00 0.00 H new ATOM 1365 N THR A 89 -5.185 -15.146 -1.170 1.00 0.00 N ATOM 1366 CA THR A 89 -5.952 -16.091 -1.974 1.00 0.00 C ATOM 1367 C THR A 89 -6.236 -15.543 -3.373 1.00 0.00 C ATOM 1368 O THR A 89 -6.267 -16.298 -4.345 1.00 0.00 O ATOM 1369 CB THR A 89 -7.278 -16.471 -1.285 1.00 0.00 C ATOM 1370 OG1 THR A 89 -7.931 -15.294 -0.792 1.00 0.00 O ATOM 1371 CG2 THR A 89 -7.035 -17.441 -0.137 1.00 0.00 C ATOM 0 H THR A 89 -5.694 -14.759 -0.375 1.00 0.00 H new ATOM 0 HA THR A 89 -5.339 -16.987 -2.072 1.00 0.00 H new ATOM 0 HB THR A 89 -7.916 -16.958 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.676 -15.146 0.143 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.985 -17.694 0.333 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.567 -18.348 -0.520 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.379 -16.977 0.599 1.00 0.00 H new ATOM 1379 N ARG A 90 -6.434 -14.229 -3.473 1.00 0.00 N ATOM 1380 CA ARG A 90 -6.652 -13.590 -4.767 1.00 0.00 C ATOM 1381 C ARG A 90 -5.378 -13.689 -5.611 1.00 0.00 C ATOM 1382 O ARG A 90 -5.436 -13.804 -6.838 1.00 0.00 O ATOM 1383 CB ARG A 90 -7.085 -12.122 -4.574 1.00 0.00 C ATOM 1384 CG ARG A 90 -7.607 -11.438 -5.839 1.00 0.00 C ATOM 1385 CD ARG A 90 -6.476 -11.030 -6.771 1.00 0.00 C ATOM 1386 NE ARG A 90 -6.946 -10.530 -8.060 1.00 0.00 N ATOM 1387 CZ ARG A 90 -6.642 -11.097 -9.229 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -5.960 -12.237 -9.265 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -7.032 -10.535 -10.362 1.00 0.00 N ATOM 0 H ARG A 90 -6.448 -13.591 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.455 -14.105 -5.295 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.861 -12.084 -3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.236 -11.554 -4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.284 -12.112 -6.363 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.186 -10.557 -5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.875 -10.260 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.823 -11.887 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.540 -9.701 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.666 -12.683 -8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.730 -12.666 -10.162 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.566 -9.666 -10.343 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -6.798 -10.971 -11.254 1.00 0.00 H new ATOM 1403 N GLY A 91 -4.229 -13.652 -4.948 1.00 0.00 N ATOM 1404 CA GLY A 91 -2.969 -13.799 -5.648 1.00 0.00 C ATOM 1405 C GLY A 91 -2.168 -12.516 -5.688 1.00 0.00 C ATOM 1406 O GLY A 91 -1.238 -12.383 -6.482 1.00 0.00 O ATOM 0 H GLY A 91 -4.148 -13.523 -3.939 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.378 -14.576 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.162 -14.134 -6.667 1.00 0.00 H new ATOM 1410 N ILE A 92 -2.519 -11.569 -4.831 1.00 0.00 N ATOM 1411 CA ILE A 92 -1.806 -10.303 -4.780 1.00 0.00 C ATOM 1412 C ILE A 92 -0.806 -10.317 -3.633 1.00 0.00 C ATOM 1413 O ILE A 92 -1.167 -10.620 -2.493 1.00 0.00 O ATOM 1414 CB ILE A 92 -2.765 -9.104 -4.605 1.00 0.00 C ATOM 1415 CG1 ILE A 92 -3.871 -9.136 -5.662 1.00 0.00 C ATOM 1416 CG2 ILE A 92 -1.994 -7.793 -4.684 1.00 0.00 C ATOM 1417 CD1 ILE A 92 -3.361 -9.129 -7.089 1.00 0.00 C ATOM 0 H ILE A 92 -3.288 -11.652 -4.166 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.287 -10.184 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 92 -3.229 -9.178 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -4.480 -10.027 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -4.524 -8.275 -5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.683 -6.958 -4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.242 -7.765 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.504 -7.717 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -4.206 -9.153 -7.777 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.777 -8.225 -7.262 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.733 -10.004 -7.255 1.00 0.00 H new ATOM 1429 N GLY A 93 0.449 -10.020 -3.944 1.00 0.00 N ATOM 1430 CA GLY A 93 1.480 -9.987 -2.926 1.00 0.00 C ATOM 1431 C GLY A 93 1.281 -8.847 -1.951 1.00 0.00 C ATOM 1432 O GLY A 93 1.236 -7.683 -2.350 1.00 0.00 O ATOM 0 H GLY A 93 0.772 -9.801 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.483 -10.932 -2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.456 -9.890 -3.402 1.00 0.00 H new ATOM 1436 N LEU A 94 1.150 -9.180 -0.679 1.00 0.00 N ATOM 1437 CA LEU A 94 0.938 -8.176 0.350 1.00 0.00 C ATOM 1438 C LEU A 94 2.162 -8.070 1.250 1.00 0.00 C ATOM 1439 O LEU A 94 2.616 -9.065 1.819 1.00 0.00 O ATOM 1440 CB LEU A 94 -0.306 -8.517 1.178 1.00 0.00 C ATOM 1441 CG LEU A 94 -0.642 -7.523 2.295 1.00 0.00 C ATOM 1442 CD1 LEU A 94 -0.925 -6.143 1.722 1.00 0.00 C ATOM 1443 CD2 LEU A 94 -1.830 -8.016 3.106 1.00 0.00 C ATOM 0 H LEU A 94 1.187 -10.139 -0.333 1.00 0.00 H new ATOM 0 HA LEU A 94 0.780 -7.212 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.162 -8.586 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.168 -9.503 1.621 1.00 0.00 H new ATOM 0 HG LEU A 94 0.222 -7.447 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.161 -5.454 2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.046 -5.785 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.771 -6.200 1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.055 -7.298 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.697 -8.122 2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.591 -8.982 3.551 1.00 0.00 H new ATOM 1455 N GLU A 95 2.701 -6.867 1.357 1.00 0.00 N ATOM 1456 CA GLU A 95 3.843 -6.610 2.216 1.00 0.00 C ATOM 1457 C GLU A 95 3.538 -5.429 3.136 1.00 0.00 C ATOM 1458 O GLU A 95 2.853 -4.488 2.736 1.00 0.00 O ATOM 1459 CB GLU A 95 5.087 -6.328 1.364 1.00 0.00 C ATOM 1460 CG GLU A 95 6.349 -6.074 2.172 1.00 0.00 C ATOM 1461 CD GLU A 95 6.712 -7.237 3.075 1.00 0.00 C ATOM 1462 OE1 GLU A 95 6.182 -7.308 4.200 1.00 0.00 O ATOM 1463 OE2 GLU A 95 7.535 -8.082 2.665 1.00 0.00 O ATOM 0 H GLU A 95 2.362 -6.047 0.854 1.00 0.00 H new ATOM 0 HA GLU A 95 4.040 -7.489 2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.258 -7.175 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.893 -5.461 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.177 -5.876 1.491 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.213 -5.178 2.778 1.00 0.00 H new ATOM 1470 N ALA A 96 4.039 -5.484 4.361 1.00 0.00 N ATOM 1471 CA ALA A 96 3.774 -4.443 5.343 1.00 0.00 C ATOM 1472 C ALA A 96 5.072 -3.968 5.981 1.00 0.00 C ATOM 1473 O ALA A 96 5.781 -4.744 6.621 1.00 0.00 O ATOM 1474 CB ALA A 96 2.810 -4.949 6.406 1.00 0.00 C ATOM 0 H ALA A 96 4.633 -6.241 4.700 1.00 0.00 H new ATOM 0 HA ALA A 96 3.313 -3.597 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 96 2.622 -4.159 7.133 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.871 -5.241 5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 96 3.246 -5.811 6.912 1.00 0.00 H new ATOM 1480 N MET A 97 5.380 -2.696 5.794 1.00 0.00 N ATOM 1481 CA MET A 97 6.609 -2.113 6.314 1.00 0.00 C ATOM 1482 C MET A 97 6.335 -0.711 6.831 1.00 0.00 C ATOM 1483 O MET A 97 5.212 -0.218 6.741 1.00 0.00 O ATOM 1484 CB MET A 97 7.689 -2.059 5.225 1.00 0.00 C ATOM 1485 CG MET A 97 8.178 -3.424 4.764 1.00 0.00 C ATOM 1486 SD MET A 97 9.356 -3.315 3.400 1.00 0.00 S ATOM 1487 CE MET A 97 8.340 -2.550 2.140 1.00 0.00 C ATOM 0 H MET A 97 4.791 -2.040 5.281 1.00 0.00 H new ATOM 0 HA MET A 97 6.969 -2.740 7.130 1.00 0.00 H new ATOM 0 HB2 MET A 97 7.295 -1.517 4.365 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.539 -1.488 5.600 1.00 0.00 H new ATOM 0 HG2 MET A 97 8.645 -3.941 5.602 1.00 0.00 H new ATOM 0 HG3 MET A 97 7.324 -4.026 4.454 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.405 -3.129 1.219 1.00 0.00 H new ATOM 0 HE2 MET A 97 7.304 -2.519 2.477 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.692 -1.535 1.956 1.00 0.00 H new ATOM 1497 N THR A 98 7.357 -0.065 7.365 1.00 0.00 N ATOM 1498 CA THR A 98 7.219 1.300 7.830 1.00 0.00 C ATOM 1499 C THR A 98 7.170 2.270 6.649 1.00 0.00 C ATOM 1500 O THR A 98 7.448 1.887 5.508 1.00 0.00 O ATOM 1501 CB THR A 98 8.356 1.676 8.797 1.00 0.00 C ATOM 1502 OG1 THR A 98 9.540 0.930 8.475 1.00 0.00 O ATOM 1503 CG2 THR A 98 7.954 1.408 10.239 1.00 0.00 C ATOM 0 H THR A 98 8.288 -0.464 7.486 1.00 0.00 H new ATOM 0 HA THR A 98 6.278 1.375 8.376 1.00 0.00 H new ATOM 0 HB THR A 98 8.558 2.742 8.688 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.260 1.176 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.774 1.682 10.902 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.073 2.000 10.487 1.00 0.00 H new ATOM 0 HG23 THR A 98 7.726 0.349 10.362 1.00 0.00 H new ATOM 1511 N ASN A 99 6.818 3.520 6.935 1.00 0.00 N ATOM 1512 CA ASN A 99 6.557 4.526 5.902 1.00 0.00 C ATOM 1513 C ASN A 99 7.709 4.659 4.900 1.00 0.00 C ATOM 1514 O ASN A 99 7.494 4.599 3.689 1.00 0.00 O ATOM 1515 CB ASN A 99 6.283 5.877 6.567 1.00 0.00 C ATOM 1516 CG ASN A 99 5.868 6.956 5.583 1.00 0.00 C ATOM 1517 OD1 ASN A 99 6.708 7.650 5.014 1.00 0.00 O ATOM 1518 ND2 ASN A 99 4.565 7.120 5.397 1.00 0.00 N ATOM 0 H ASN A 99 6.705 3.867 7.887 1.00 0.00 H new ATOM 0 HA ASN A 99 5.684 4.197 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 99 5.498 5.754 7.314 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.179 6.202 7.096 1.00 0.00 H new ATOM 0 HD21 ASN A 99 4.228 7.844 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 99 3.900 6.523 5.889 1.00 0.00 H new ATOM 1525 N ALA A 100 8.928 4.811 5.403 1.00 0.00 N ATOM 1526 CA ALA A 100 10.081 5.051 4.540 1.00 0.00 C ATOM 1527 C ALA A 100 10.496 3.786 3.798 1.00 0.00 C ATOM 1528 O ALA A 100 10.862 3.838 2.624 1.00 0.00 O ATOM 1529 CB ALA A 100 11.245 5.600 5.349 1.00 0.00 C ATOM 0 H ALA A 100 9.145 4.773 6.399 1.00 0.00 H new ATOM 0 HA ALA A 100 9.790 5.792 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.096 5.773 4.690 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.952 6.539 5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.523 4.882 6.120 1.00 0.00 H new ATOM 1535 N ALA A 101 10.439 2.652 4.484 1.00 0.00 N ATOM 1536 CA ALA A 101 10.791 1.369 3.882 1.00 0.00 C ATOM 1537 C ALA A 101 9.872 1.046 2.707 1.00 0.00 C ATOM 1538 O ALA A 101 10.314 0.524 1.678 1.00 0.00 O ATOM 1539 CB ALA A 101 10.732 0.262 4.923 1.00 0.00 C ATOM 0 H ALA A 101 10.152 2.593 5.461 1.00 0.00 H new ATOM 0 HA ALA A 101 11.811 1.439 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.997 -0.688 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.434 0.481 5.727 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.723 0.198 5.330 1.00 0.00 H new ATOM 1545 N ALA A 102 8.594 1.370 2.864 1.00 0.00 N ATOM 1546 CA ALA A 102 7.615 1.161 1.808 1.00 0.00 C ATOM 1547 C ALA A 102 7.917 2.057 0.611 1.00 0.00 C ATOM 1548 O ALA A 102 7.917 1.601 -0.534 1.00 0.00 O ATOM 1549 CB ALA A 102 6.210 1.417 2.332 1.00 0.00 C ATOM 0 H ALA A 102 8.212 1.780 3.716 1.00 0.00 H new ATOM 0 HA ALA A 102 7.676 0.124 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.488 1.257 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.998 0.733 3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.136 2.445 2.687 1.00 0.00 H new ATOM 1555 N ALA A 103 8.199 3.328 0.886 1.00 0.00 N ATOM 1556 CA ALA A 103 8.523 4.291 -0.162 1.00 0.00 C ATOM 1557 C ALA A 103 9.807 3.901 -0.887 1.00 0.00 C ATOM 1558 O ALA A 103 9.914 4.045 -2.105 1.00 0.00 O ATOM 1559 CB ALA A 103 8.646 5.689 0.427 1.00 0.00 C ATOM 0 H ALA A 103 8.210 3.716 1.829 1.00 0.00 H new ATOM 0 HA ALA A 103 7.712 4.287 -0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.888 6.398 -0.365 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.702 5.972 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.437 5.700 1.177 1.00 0.00 H new ATOM 1565 N ARG A 104 10.775 3.396 -0.130 1.00 0.00 N ATOM 1566 CA ARG A 104 12.038 2.940 -0.696 1.00 0.00 C ATOM 1567 C ARG A 104 11.799 1.827 -1.712 1.00 0.00 C ATOM 1568 O ARG A 104 12.321 1.859 -2.827 1.00 0.00 O ATOM 1569 CB ARG A 104 12.955 2.427 0.414 1.00 0.00 C ATOM 1570 CG ARG A 104 14.343 2.035 -0.067 1.00 0.00 C ATOM 1571 CD ARG A 104 15.113 1.287 1.008 1.00 0.00 C ATOM 1572 NE ARG A 104 14.570 -0.050 1.249 1.00 0.00 N ATOM 1573 CZ ARG A 104 14.382 -0.573 2.461 1.00 0.00 C ATOM 1574 NH1 ARG A 104 14.578 0.163 3.548 1.00 0.00 N ATOM 1575 NH2 ARG A 104 13.965 -1.826 2.580 1.00 0.00 N ATOM 0 H ARG A 104 10.708 3.292 0.882 1.00 0.00 H new ATOM 0 HA ARG A 104 12.512 3.783 -1.199 1.00 0.00 H new ATOM 0 HB2 ARG A 104 13.050 3.198 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.488 1.564 0.888 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.258 1.411 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.895 2.929 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 104 16.159 1.204 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 104 15.088 1.860 1.935 1.00 0.00 H new ATOM 0 HE ARG A 104 14.320 -0.617 0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.874 1.135 3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.432 -0.243 4.472 1.00 0.00 H new ATOM 0 HH21 ARG A 104 13.789 -2.386 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 104 13.820 -2.230 3.505 1.00 0.00 H new ATOM 1589 N THR A 105 10.992 0.851 -1.316 1.00 0.00 N ATOM 1590 CA THR A 105 10.701 -0.291 -2.166 1.00 0.00 C ATOM 1591 C THR A 105 9.908 0.139 -3.402 1.00 0.00 C ATOM 1592 O THR A 105 10.079 -0.422 -4.485 1.00 0.00 O ATOM 1593 CB THR A 105 9.918 -1.370 -1.390 1.00 0.00 C ATOM 1594 OG1 THR A 105 10.584 -1.661 -0.152 1.00 0.00 O ATOM 1595 CG2 THR A 105 9.794 -2.648 -2.207 1.00 0.00 C ATOM 0 H THR A 105 10.527 0.830 -0.408 1.00 0.00 H new ATOM 0 HA THR A 105 11.652 -0.714 -2.489 1.00 0.00 H new ATOM 0 HB THR A 105 8.918 -0.985 -1.191 1.00 0.00 H new ATOM 0 HG1 THR A 105 10.456 -0.916 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 105 9.238 -3.392 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.267 -2.436 -3.137 1.00 0.00 H new ATOM 0 HG23 THR A 105 10.788 -3.033 -2.433 1.00 0.00 H new ATOM 1603 N TYR A 106 9.057 1.151 -3.231 1.00 0.00 N ATOM 1604 CA TYR A 106 8.264 1.693 -4.331 1.00 0.00 C ATOM 1605 C TYR A 106 9.161 2.121 -5.488 1.00 0.00 C ATOM 1606 O TYR A 106 8.904 1.775 -6.639 1.00 0.00 O ATOM 1607 CB TYR A 106 7.423 2.883 -3.846 1.00 0.00 C ATOM 1608 CG TYR A 106 6.714 3.634 -4.958 1.00 0.00 C ATOM 1609 CD1 TYR A 106 5.492 3.197 -5.455 1.00 0.00 C ATOM 1610 CD2 TYR A 106 7.274 4.781 -5.512 1.00 0.00 C ATOM 1611 CE1 TYR A 106 4.851 3.879 -6.473 1.00 0.00 C ATOM 1612 CE2 TYR A 106 6.638 5.468 -6.528 1.00 0.00 C ATOM 1613 CZ TYR A 106 5.427 5.014 -7.005 1.00 0.00 C ATOM 1614 OH TYR A 106 4.795 5.693 -8.024 1.00 0.00 O ATOM 0 H TYR A 106 8.900 1.613 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 106 7.595 0.909 -4.687 1.00 0.00 H new ATOM 0 HB2 TYR A 106 6.680 2.523 -3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 106 8.070 3.576 -3.309 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.036 2.311 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.223 5.141 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 106 3.903 3.524 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.087 6.356 -6.946 1.00 0.00 H new ATOM 0 HH TYR A 106 5.334 6.470 -8.283 1.00 0.00 H new ATOM 1624 N ASN A 107 10.221 2.857 -5.173 1.00 0.00 N ATOM 1625 CA ASN A 107 11.142 3.358 -6.192 1.00 0.00 C ATOM 1626 C ASN A 107 11.806 2.206 -6.944 1.00 0.00 C ATOM 1627 O ASN A 107 11.982 2.262 -8.162 1.00 0.00 O ATOM 1628 CB ASN A 107 12.205 4.258 -5.555 1.00 0.00 C ATOM 1629 CG ASN A 107 13.174 4.838 -6.572 1.00 0.00 C ATOM 1630 OD1 ASN A 107 12.908 5.875 -7.176 1.00 0.00 O ATOM 1631 ND2 ASN A 107 14.314 4.185 -6.752 1.00 0.00 N ATOM 0 H ASN A 107 10.466 3.121 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 107 10.567 3.945 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 107 11.713 5.073 -5.023 1.00 0.00 H new ATOM 0 HB3 ASN A 107 12.763 3.685 -4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 107 15.007 4.541 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 107 14.498 3.327 -6.232 1.00 0.00 H new ATOM 1638 N VAL A 108 12.155 1.154 -6.212 1.00 0.00 N ATOM 1639 CA VAL A 108 12.800 -0.013 -6.804 1.00 0.00 C ATOM 1640 C VAL A 108 11.847 -0.731 -7.762 1.00 0.00 C ATOM 1641 O VAL A 108 12.245 -1.177 -8.842 1.00 0.00 O ATOM 1642 CB VAL A 108 13.278 -1.002 -5.716 1.00 0.00 C ATOM 1643 CG1 VAL A 108 14.046 -2.161 -6.332 1.00 0.00 C ATOM 1644 CG2 VAL A 108 14.131 -0.288 -4.678 1.00 0.00 C ATOM 0 H VAL A 108 12.002 1.085 -5.206 1.00 0.00 H new ATOM 0 HA VAL A 108 13.668 0.342 -7.359 1.00 0.00 H new ATOM 0 HB VAL A 108 12.396 -1.406 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.371 -2.842 -5.545 1.00 0.00 H new ATOM 0 HG12 VAL A 108 13.401 -2.695 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 108 14.918 -1.779 -6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.457 -1.002 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.003 0.150 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 108 13.545 0.500 -4.205 1.00 0.00 H new ATOM 1654 N LEU A 109 10.583 -0.820 -7.370 1.00 0.00 N ATOM 1655 CA LEU A 109 9.571 -1.482 -8.185 1.00 0.00 C ATOM 1656 C LEU A 109 9.166 -0.613 -9.372 1.00 0.00 C ATOM 1657 O LEU A 109 8.868 -1.124 -10.455 1.00 0.00 O ATOM 1658 CB LEU A 109 8.345 -1.817 -7.333 1.00 0.00 C ATOM 1659 CG LEU A 109 8.604 -2.803 -6.193 1.00 0.00 C ATOM 1660 CD1 LEU A 109 7.374 -2.936 -5.312 1.00 0.00 C ATOM 1661 CD2 LEU A 109 9.006 -4.161 -6.745 1.00 0.00 C ATOM 0 H LEU A 109 10.233 -0.441 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 109 9.999 -2.406 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.950 -0.893 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.571 -2.228 -7.981 1.00 0.00 H new ATOM 0 HG LEU A 109 9.424 -2.417 -5.587 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.578 -3.642 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 109 7.124 -1.964 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 109 6.537 -3.298 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.186 -4.850 -5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 109 8.205 -4.550 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 109 9.915 -4.058 -7.337 1.00 0.00 H new ATOM 1673 N ALA A 110 9.167 0.701 -9.165 1.00 0.00 N ATOM 1674 CA ALA A 110 8.808 1.652 -10.213 1.00 0.00 C ATOM 1675 C ALA A 110 9.774 1.566 -11.390 1.00 0.00 C ATOM 1676 O ALA A 110 9.381 1.759 -12.540 1.00 0.00 O ATOM 1677 CB ALA A 110 8.777 3.068 -9.656 1.00 0.00 C ATOM 0 H ALA A 110 9.414 1.134 -8.275 1.00 0.00 H new ATOM 0 HA ALA A 110 7.813 1.394 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 110 8.508 3.765 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.040 3.128 -8.855 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.761 3.326 -9.264 1.00 0.00 H new ATOM 1683 N SER A 111 11.034 1.264 -11.096 1.00 0.00 N ATOM 1684 CA SER A 111 12.052 1.116 -12.130 1.00 0.00 C ATOM 1685 C SER A 111 11.685 -0.020 -13.086 1.00 0.00 C ATOM 1686 O SER A 111 11.896 0.074 -14.294 1.00 0.00 O ATOM 1687 CB SER A 111 13.418 0.852 -11.485 1.00 0.00 C ATOM 1688 OG SER A 111 14.450 0.786 -12.457 1.00 0.00 O ATOM 0 H SER A 111 11.376 1.116 -10.146 1.00 0.00 H new ATOM 0 HA SER A 111 12.106 2.041 -12.704 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.642 1.643 -10.769 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.383 -0.083 -10.927 1.00 0.00 H new ATOM 0 HG SER A 111 15.307 0.618 -12.013 1.00 0.00 H new ATOM 1694 N GLU A 112 11.109 -1.081 -12.536 1.00 0.00 N ATOM 1695 CA GLU A 112 10.718 -2.239 -13.318 1.00 0.00 C ATOM 1696 C GLU A 112 9.383 -2.016 -14.015 1.00 0.00 C ATOM 1697 O GLU A 112 9.075 -2.671 -15.009 1.00 0.00 O ATOM 1698 CB GLU A 112 10.634 -3.456 -12.406 1.00 0.00 C ATOM 1699 CG GLU A 112 11.988 -4.034 -12.047 1.00 0.00 C ATOM 1700 CD GLU A 112 12.647 -4.725 -13.221 1.00 0.00 C ATOM 1701 OE1 GLU A 112 13.167 -4.028 -14.118 1.00 0.00 O ATOM 1702 OE2 GLU A 112 12.631 -5.973 -13.257 1.00 0.00 O ATOM 0 H GLU A 112 10.902 -1.160 -11.540 1.00 0.00 H new ATOM 0 HA GLU A 112 11.470 -2.404 -14.090 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.111 -3.179 -11.491 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.036 -4.226 -12.894 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.637 -3.236 -11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 112 11.872 -4.744 -11.229 1.00 0.00 H new ATOM 1709 N GLY A 113 8.594 -1.093 -13.489 1.00 0.00 N ATOM 1710 CA GLY A 113 7.286 -0.833 -14.054 1.00 0.00 C ATOM 1711 C GLY A 113 6.218 -1.706 -13.431 1.00 0.00 C ATOM 1712 O GLY A 113 5.111 -1.816 -13.954 1.00 0.00 O ATOM 0 H GLY A 113 8.835 -0.519 -12.681 1.00 0.00 H new ATOM 0 HA2 GLY A 113 7.029 0.216 -13.907 1.00 0.00 H new ATOM 0 HA3 GLY A 113 7.314 -1.006 -15.130 1.00 0.00 H new ATOM 1716 N ARG A 114 6.557 -2.336 -12.313 1.00 0.00 N ATOM 1717 CA ARG A 114 5.611 -3.176 -11.594 1.00 0.00 C ATOM 1718 C ARG A 114 4.599 -2.312 -10.857 1.00 0.00 C ATOM 1719 O ARG A 114 4.970 -1.391 -10.127 1.00 0.00 O ATOM 1720 CB ARG A 114 6.337 -4.099 -10.608 1.00 0.00 C ATOM 1721 CG ARG A 114 6.965 -5.323 -11.260 1.00 0.00 C ATOM 1722 CD ARG A 114 7.756 -6.149 -10.255 1.00 0.00 C ATOM 1723 NE ARG A 114 8.150 -7.453 -10.795 1.00 0.00 N ATOM 1724 CZ ARG A 114 9.341 -7.717 -11.339 1.00 0.00 C ATOM 1725 NH1 ARG A 114 10.258 -6.763 -11.454 1.00 0.00 N ATOM 1726 NH2 ARG A 114 9.614 -8.941 -11.767 1.00 0.00 N ATOM 0 H ARG A 114 7.481 -2.280 -11.885 1.00 0.00 H new ATOM 0 HA ARG A 114 5.086 -3.798 -12.319 1.00 0.00 H new ATOM 0 HB2 ARG A 114 7.115 -3.531 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 114 5.631 -4.427 -9.845 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.184 -5.940 -11.705 1.00 0.00 H new ATOM 0 HG3 ARG A 114 7.622 -5.008 -12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 114 8.647 -5.598 -9.956 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.156 -6.296 -9.357 1.00 0.00 H new ATOM 0 HE ARG A 114 7.468 -8.211 -10.753 1.00 0.00 H new ATOM 0 HH11 ARG A 114 10.056 -5.819 -11.125 1.00 0.00 H new ATOM 0 HH12 ARG A 114 11.165 -6.975 -11.871 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.915 -9.679 -11.681 1.00 0.00 H new ATOM 0 HH22 ARG A 114 10.523 -9.145 -12.183 1.00 0.00 H new ATOM 1740 N ARG A 115 3.322 -2.601 -11.062 1.00 0.00 N ATOM 1741 CA ARG A 115 2.258 -1.832 -10.435 1.00 0.00 C ATOM 1742 C ARG A 115 2.151 -2.149 -8.951 1.00 0.00 C ATOM 1743 O ARG A 115 1.465 -3.088 -8.541 1.00 0.00 O ATOM 1744 CB ARG A 115 0.916 -2.075 -11.127 1.00 0.00 C ATOM 1745 CG ARG A 115 0.642 -1.123 -12.282 1.00 0.00 C ATOM 1746 CD ARG A 115 1.652 -1.277 -13.406 1.00 0.00 C ATOM 1747 NE ARG A 115 1.507 -2.550 -14.106 1.00 0.00 N ATOM 1748 CZ ARG A 115 1.230 -2.650 -15.404 1.00 0.00 C ATOM 1749 NH1 ARG A 115 1.103 -1.553 -16.143 1.00 0.00 N ATOM 1750 NH2 ARG A 115 1.092 -3.844 -15.967 1.00 0.00 N ATOM 0 H ARG A 115 2.998 -3.363 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 115 2.513 -0.778 -10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 115 0.889 -3.100 -11.498 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.116 -1.981 -10.392 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.361 -1.304 -12.670 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.662 -0.096 -11.917 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.531 -0.458 -14.115 1.00 0.00 H new ATOM 0 HD3 ARG A 115 2.660 -1.201 -12.999 1.00 0.00 H new ATOM 0 HE ARG A 115 1.624 -3.410 -13.571 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.218 -0.634 -15.716 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.891 -1.630 -17.138 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.198 -4.688 -15.405 1.00 0.00 H new ATOM 0 HH22 ARG A 115 0.880 -3.917 -16.962 1.00 0.00 H new ATOM 1764 N VAL A 116 2.860 -1.377 -8.155 1.00 0.00 N ATOM 1765 CA VAL A 116 2.801 -1.514 -6.718 1.00 0.00 C ATOM 1766 C VAL A 116 1.788 -0.538 -6.131 1.00 0.00 C ATOM 1767 O VAL A 116 1.808 0.657 -6.430 1.00 0.00 O ATOM 1768 CB VAL A 116 4.190 -1.304 -6.071 1.00 0.00 C ATOM 1769 CG1 VAL A 116 4.832 -0.010 -6.547 1.00 0.00 C ATOM 1770 CG2 VAL A 116 4.086 -1.325 -4.553 1.00 0.00 C ATOM 0 H VAL A 116 3.488 -0.643 -8.483 1.00 0.00 H new ATOM 0 HA VAL A 116 2.480 -2.532 -6.495 1.00 0.00 H new ATOM 0 HB VAL A 116 4.830 -2.129 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.807 0.108 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.955 -0.042 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.194 0.833 -6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.074 -1.176 -4.118 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.420 -0.528 -4.223 1.00 0.00 H new ATOM 0 HG23 VAL A 116 3.689 -2.287 -4.229 1.00 0.00 H new ATOM 1780 N ALA A 117 0.879 -1.063 -5.329 1.00 0.00 N ATOM 1781 CA ALA A 117 -0.077 -0.239 -4.621 1.00 0.00 C ATOM 1782 C ALA A 117 0.523 0.194 -3.297 1.00 0.00 C ATOM 1783 O ALA A 117 0.557 -0.577 -2.337 1.00 0.00 O ATOM 1784 CB ALA A 117 -1.381 -0.989 -4.402 1.00 0.00 C ATOM 0 H ALA A 117 0.785 -2.063 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 117 -0.302 0.643 -5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -2.084 -0.349 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.806 -1.269 -5.366 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.190 -1.887 -3.815 1.00 0.00 H new ATOM 1790 N LEU A 118 1.029 1.411 -3.261 1.00 0.00 N ATOM 1791 CA LEU A 118 1.685 1.921 -2.075 1.00 0.00 C ATOM 1792 C LEU A 118 0.662 2.558 -1.145 1.00 0.00 C ATOM 1793 O LEU A 118 0.320 3.734 -1.282 1.00 0.00 O ATOM 1794 CB LEU A 118 2.770 2.928 -2.466 1.00 0.00 C ATOM 1795 CG LEU A 118 3.618 3.465 -1.315 1.00 0.00 C ATOM 1796 CD1 LEU A 118 4.326 2.327 -0.599 1.00 0.00 C ATOM 1797 CD2 LEU A 118 4.624 4.479 -1.830 1.00 0.00 C ATOM 0 H LEU A 118 0.998 2.066 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 118 2.160 1.095 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 118 3.432 2.457 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.294 3.771 -2.967 1.00 0.00 H new ATOM 0 HG LEU A 118 2.960 3.962 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.926 2.728 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 118 3.587 1.633 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 118 4.974 1.803 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 118 5.221 4.853 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 118 5.278 4.004 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 118 4.096 5.309 -2.300 1.00 0.00 H new ATOM 1809 N ALA A 119 0.152 1.762 -0.220 1.00 0.00 N ATOM 1810 CA ALA A 119 -0.811 2.242 0.751 1.00 0.00 C ATOM 1811 C ALA A 119 -0.084 2.825 1.950 1.00 0.00 C ATOM 1812 O ALA A 119 0.262 2.111 2.892 1.00 0.00 O ATOM 1813 CB ALA A 119 -1.752 1.124 1.175 1.00 0.00 C ATOM 0 H ALA A 119 0.392 0.775 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 119 -1.414 3.026 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -2.466 1.507 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -2.289 0.750 0.303 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -1.176 0.314 1.622 1.00 0.00 H new ATOM 1819 N MET A 120 0.173 4.118 1.896 1.00 0.00 N ATOM 1820 CA MET A 120 0.923 4.785 2.942 1.00 0.00 C ATOM 1821 C MET A 120 -0.006 5.276 4.033 1.00 0.00 C ATOM 1822 O MET A 120 -0.688 6.289 3.878 1.00 0.00 O ATOM 1823 CB MET A 120 1.736 5.949 2.371 1.00 0.00 C ATOM 1824 CG MET A 120 2.798 5.507 1.382 1.00 0.00 C ATOM 1825 SD MET A 120 3.704 6.883 0.645 1.00 0.00 S ATOM 1826 CE MET A 120 4.677 7.443 2.038 1.00 0.00 C ATOM 0 H MET A 120 -0.128 4.729 1.136 1.00 0.00 H new ATOM 0 HA MET A 120 1.616 4.063 3.375 1.00 0.00 H new ATOM 0 HB2 MET A 120 1.060 6.649 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 120 2.213 6.487 3.190 1.00 0.00 H new ATOM 0 HG2 MET A 120 3.502 4.846 1.887 1.00 0.00 H new ATOM 0 HG3 MET A 120 2.327 4.925 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 120 5.524 8.028 1.679 1.00 0.00 H new ATOM 0 HE2 MET A 120 4.059 8.061 2.689 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.042 6.581 2.597 1.00 0.00 H new ATOM 1836 N ILE A 121 -0.064 4.522 5.113 1.00 0.00 N ATOM 1837 CA ILE A 121 -0.787 4.937 6.294 1.00 0.00 C ATOM 1838 C ILE A 121 0.183 5.623 7.242 1.00 0.00 C ATOM 1839 O ILE A 121 1.314 5.161 7.418 1.00 0.00 O ATOM 1840 CB ILE A 121 -1.454 3.736 7.005 1.00 0.00 C ATOM 1841 CG1 ILE A 121 -2.435 3.037 6.057 1.00 0.00 C ATOM 1842 CG2 ILE A 121 -2.164 4.185 8.276 1.00 0.00 C ATOM 1843 CD1 ILE A 121 -3.104 1.819 6.658 1.00 0.00 C ATOM 0 H ILE A 121 0.386 3.610 5.195 1.00 0.00 H new ATOM 0 HA ILE A 121 -1.580 5.623 5.995 1.00 0.00 H new ATOM 0 HB ILE A 121 -0.676 3.027 7.286 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.203 3.749 5.754 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.903 2.739 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.625 3.324 8.759 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.442 4.638 8.955 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.933 4.915 8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -3.783 1.379 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.346 1.087 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.666 2.113 7.545 1.00 0.00 H new ATOM 1855 N VAL A 122 -0.233 6.743 7.804 1.00 0.00 N ATOM 1856 CA VAL A 122 0.587 7.466 8.759 1.00 0.00 C ATOM 1857 C VAL A 122 -0.068 7.451 10.141 1.00 0.00 C ATOM 1858 O VAL A 122 -1.279 7.640 10.266 1.00 0.00 O ATOM 1859 CB VAL A 122 0.827 8.917 8.293 1.00 0.00 C ATOM 1860 CG1 VAL A 122 1.642 9.687 9.318 1.00 0.00 C ATOM 1861 CG2 VAL A 122 1.519 8.931 6.933 1.00 0.00 C ATOM 0 H VAL A 122 -1.138 7.173 7.615 1.00 0.00 H new ATOM 0 HA VAL A 122 1.554 6.967 8.824 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.140 9.409 8.194 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.798 10.707 8.967 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.107 9.708 10.267 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.607 9.199 9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.681 9.962 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 122 2.478 8.419 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 122 0.892 8.422 6.201 1.00 0.00 H new ATOM 1871 N GLY A 123 0.739 7.236 11.176 1.00 0.00 N ATOM 1872 CA GLY A 123 0.200 7.051 12.514 1.00 0.00 C ATOM 1873 C GLY A 123 0.276 8.301 13.362 1.00 0.00 C ATOM 1874 O GLY A 123 0.567 8.237 14.555 1.00 0.00 O ATOM 0 H GLY A 123 1.756 7.186 11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.840 6.732 12.440 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.745 6.248 13.011 1.00 0.00 H new ATOM 1878 N GLY A 124 -0.005 9.436 12.748 1.00 0.00 N ATOM 1879 CA GLY A 124 0.059 10.703 13.454 1.00 0.00 C ATOM 1880 C GLY A 124 -1.100 10.900 14.413 1.00 0.00 C ATOM 1881 O GLY A 124 -1.020 11.705 15.340 1.00 0.00 O ATOM 0 H GLY A 124 -0.278 9.507 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.996 10.758 14.008 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.068 11.517 12.730 1.00 0.00 H new ATOM 1885 N LEU A 125 -2.172 10.148 14.204 1.00 0.00 N ATOM 1886 CA LEU A 125 -3.385 10.297 15.004 1.00 0.00 C ATOM 1887 C LEU A 125 -3.278 9.548 16.330 1.00 0.00 C ATOM 1888 O LEU A 125 -4.174 9.634 17.173 1.00 0.00 O ATOM 1889 CB LEU A 125 -4.615 9.796 14.232 1.00 0.00 C ATOM 1890 CG LEU A 125 -5.042 10.634 13.017 1.00 0.00 C ATOM 1891 CD1 LEU A 125 -4.088 10.441 11.845 1.00 0.00 C ATOM 1892 CD2 LEU A 125 -6.465 10.282 12.609 1.00 0.00 C ATOM 0 H LEU A 125 -2.228 9.426 13.486 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.501 11.360 15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.416 8.779 13.894 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.456 9.743 14.924 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.006 11.685 13.304 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -4.419 11.048 11.002 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -3.084 10.746 12.139 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -4.077 9.391 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -6.756 10.883 11.747 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -6.518 9.225 12.349 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -7.142 10.486 13.438 1.00 0.00 H new ATOM 1904 N GLU A 126 -2.175 8.831 16.527 1.00 0.00 N ATOM 1905 CA GLU A 126 -2.009 8.002 17.717 1.00 0.00 C ATOM 1906 C GLU A 126 -1.715 8.857 18.954 1.00 0.00 C ATOM 1907 O GLU A 126 -1.740 8.365 20.085 1.00 0.00 O ATOM 1908 CB GLU A 126 -0.902 6.965 17.501 1.00 0.00 C ATOM 1909 CG GLU A 126 -0.846 5.899 18.588 1.00 0.00 C ATOM 1910 CD GLU A 126 -2.118 5.074 18.673 1.00 0.00 C ATOM 1911 OE1 GLU A 126 -3.151 5.597 19.154 1.00 0.00 O ATOM 1912 OE2 GLU A 126 -2.090 3.892 18.272 1.00 0.00 O ATOM 0 H GLU A 126 -1.386 8.807 15.881 1.00 0.00 H new ATOM 0 HA GLU A 126 -2.947 7.476 17.891 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.052 6.481 16.536 1.00 0.00 H new ATOM 0 HB3 GLU A 126 0.060 7.476 17.455 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -0.002 5.237 18.397 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -0.665 6.378 19.550 1.00 0.00 H new ATOM 1919 N HIS A 127 -1.447 10.142 18.748 1.00 0.00 N ATOM 1920 CA HIS A 127 -1.272 11.059 19.870 1.00 0.00 C ATOM 1921 C HIS A 127 -2.631 11.389 20.484 1.00 0.00 C ATOM 1922 O HIS A 127 -2.717 11.901 21.601 1.00 0.00 O ATOM 1923 CB HIS A 127 -0.555 12.342 19.429 1.00 0.00 C ATOM 1924 CG HIS A 127 -0.288 13.298 20.557 1.00 0.00 C ATOM 1925 ND1 HIS A 127 0.610 13.036 21.567 1.00 0.00 N ATOM 1926 CD2 HIS A 127 -0.832 14.503 20.844 1.00 0.00 C ATOM 1927 CE1 HIS A 127 0.607 14.037 22.427 1.00 0.00 C ATOM 1928 NE2 HIS A 127 -0.261 14.941 22.012 1.00 0.00 N ATOM 0 H HIS A 127 -1.347 10.569 17.827 1.00 0.00 H new ATOM 0 HA HIS A 127 -0.649 10.572 20.621 1.00 0.00 H new ATOM 0 HB2 HIS A 127 0.391 12.076 18.957 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -1.158 12.844 18.673 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -1.578 15.024 20.262 1.00 0.00 H new ATOM 0 HE1 HIS A 127 1.212 14.105 23.319 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -0.472 15.821 22.483 1.00 0.00 H new ATOM 1937 N HIS A 128 -3.686 11.075 19.732 1.00 0.00 N ATOM 1938 CA HIS A 128 -5.071 11.259 20.168 1.00 0.00 C ATOM 1939 C HIS A 128 -5.429 12.741 20.248 1.00 0.00 C ATOM 1940 O HIS A 128 -5.933 13.303 19.276 1.00 0.00 O ATOM 1941 CB HIS A 128 -5.340 10.560 21.512 1.00 0.00 C ATOM 1942 CG HIS A 128 -4.933 9.116 21.535 1.00 0.00 C ATOM 1943 ND1 HIS A 128 -4.413 8.497 22.649 1.00 0.00 N ATOM 1944 CD2 HIS A 128 -4.943 8.178 20.560 1.00 0.00 C ATOM 1945 CE1 HIS A 128 -4.114 7.245 22.356 1.00 0.00 C ATOM 1946 NE2 HIS A 128 -4.426 7.023 21.092 1.00 0.00 N ATOM 0 H HIS A 128 -3.603 10.682 18.794 1.00 0.00 H new ATOM 0 HA HIS A 128 -5.711 10.793 19.419 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -4.806 11.091 22.300 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -6.403 10.632 21.742 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -5.294 8.313 19.548 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -3.686 6.523 23.036 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -4.303 6.141 20.594 1.00 0.00 H new ATOM 1955 N HIS A 129 -5.132 13.372 21.389 1.00 0.00 N ATOM 1956 CA HIS A 129 -5.472 14.781 21.632 1.00 0.00 C ATOM 1957 C HIS A 129 -6.989 14.994 21.637 1.00 0.00 C ATOM 1958 O HIS A 129 -7.608 15.087 22.699 1.00 0.00 O ATOM 1959 CB HIS A 129 -4.783 15.698 20.595 1.00 0.00 C ATOM 1960 CG HIS A 129 -5.316 17.108 20.537 1.00 0.00 C ATOM 1961 ND1 HIS A 129 -5.115 18.044 21.528 1.00 0.00 N ATOM 1962 CD2 HIS A 129 -6.058 17.731 19.586 1.00 0.00 C ATOM 1963 CE1 HIS A 129 -5.710 19.175 21.192 1.00 0.00 C ATOM 1964 NE2 HIS A 129 -6.289 19.009 20.021 1.00 0.00 N ATOM 0 H HIS A 129 -4.651 12.924 22.169 1.00 0.00 H new ATOM 0 HA HIS A 129 -5.100 15.050 22.621 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -3.717 15.738 20.819 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -4.885 15.246 19.608 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -6.402 17.299 18.658 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -5.720 20.082 21.778 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -6.823 19.718 19.519 1.00 0.00 H new ATOM 1973 N HIS A 130 -7.572 15.031 20.447 1.00 0.00 N ATOM 1974 CA HIS A 130 -8.973 15.374 20.250 1.00 0.00 C ATOM 1975 C HIS A 130 -9.212 15.456 18.750 1.00 0.00 C ATOM 1976 O HIS A 130 -8.729 16.380 18.100 1.00 0.00 O ATOM 1977 CB HIS A 130 -9.290 16.723 20.911 1.00 0.00 C ATOM 1978 CG HIS A 130 -10.655 16.812 21.519 1.00 0.00 C ATOM 1979 ND1 HIS A 130 -11.169 17.983 22.029 1.00 0.00 N ATOM 1980 CD2 HIS A 130 -11.600 15.867 21.731 1.00 0.00 C ATOM 1981 CE1 HIS A 130 -12.370 17.756 22.526 1.00 0.00 C ATOM 1982 NE2 HIS A 130 -12.656 16.479 22.358 1.00 0.00 N ATOM 0 H HIS A 130 -7.078 14.821 19.580 1.00 0.00 H new ATOM 0 HA HIS A 130 -9.619 14.622 20.703 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -8.548 16.917 21.686 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -9.186 17.512 20.166 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -11.535 14.824 21.457 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -13.010 18.491 22.991 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -13.521 16.022 22.647 1.00 0.00 H new ATOM 1991 N HIS A 131 -9.917 14.478 18.199 1.00 0.00 N ATOM 1992 CA HIS A 131 -10.017 14.343 16.745 1.00 0.00 C ATOM 1993 C HIS A 131 -10.909 15.409 16.100 1.00 0.00 C ATOM 1994 O HIS A 131 -12.078 15.166 15.795 1.00 0.00 O ATOM 1995 CB HIS A 131 -10.462 12.925 16.336 1.00 0.00 C ATOM 1996 CG HIS A 131 -11.628 12.366 17.104 1.00 0.00 C ATOM 1997 ND1 HIS A 131 -11.482 11.445 18.119 1.00 0.00 N ATOM 1998 CD2 HIS A 131 -12.960 12.578 16.985 1.00 0.00 C ATOM 1999 CE1 HIS A 131 -12.670 11.116 18.589 1.00 0.00 C ATOM 2000 NE2 HIS A 131 -13.585 11.791 17.918 1.00 0.00 N ATOM 0 H HIS A 131 -10.426 13.770 18.728 1.00 0.00 H new ATOM 0 HA HIS A 131 -9.011 14.509 16.360 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.718 12.935 15.277 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -9.615 12.249 16.453 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -13.441 13.244 16.284 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -12.861 10.414 19.387 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -14.592 11.736 18.069 1.00 0.00 H new ATOM 2009 N HIS A 132 -10.333 16.595 15.921 1.00 0.00 N ATOM 2010 CA HIS A 132 -10.946 17.679 15.161 1.00 0.00 C ATOM 2011 C HIS A 132 -9.933 18.813 15.012 1.00 0.00 C ATOM 2012 O HIS A 132 -10.325 19.998 15.032 1.00 0.00 O ATOM 2013 CB HIS A 132 -12.254 18.185 15.808 1.00 0.00 C ATOM 2014 CG HIS A 132 -12.117 18.782 17.182 1.00 0.00 C ATOM 2015 ND1 HIS A 132 -11.440 19.951 17.431 1.00 0.00 N ATOM 2016 CD2 HIS A 132 -12.619 18.386 18.373 1.00 0.00 C ATOM 2017 CE1 HIS A 132 -11.531 20.250 18.709 1.00 0.00 C ATOM 2018 NE2 HIS A 132 -12.247 19.319 19.311 1.00 0.00 N ATOM 2019 OXT HIS A 132 -8.729 18.507 14.911 1.00 0.00 O ATOM 0 H HIS A 132 -9.418 16.832 16.304 1.00 0.00 H new ATOM 0 HA HIS A 132 -11.222 17.298 14.178 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -12.697 18.933 15.150 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -12.956 17.353 15.862 1.00 0.00 H new ATOM 0 HD1 HIS A 132 -10.943 20.503 16.732 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -13.206 17.498 18.554 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -11.093 21.114 19.186 1.00 0.00 H new TER 2028 HIS A 132