USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 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 NoAdj-H: A 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 53 THR OG1 : rot -143:sc= 0.126 USER MOD Set 1.2: A 55 LYS NZ :NH3+ -125:sc= 0.127 (180deg=-0.268) USER MOD Set 2.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 46 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Set 3.1: A 37 LYS NZ :NH3+ 140:sc= 0.00452 (180deg=0) USER MOD Set 3.2: A 60 TYR OH : rot 180:sc= 0.0708 USER MOD Set 3.3: A 81 TYR OH : rot -120:sc= 0.0139 USER MOD Set 4.1: A 34 LYS NZ :NH3+ 164:sc=-0.00382 (180deg=-0.049) USER MOD Set 4.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.1!) USER MOD Single : A 9 THR OG1 : rot -62:sc= 1.02 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 18 ASN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 MET CE :methyl 144:sc= -0.943 (180deg=-2.38!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -145:sc= -5.5! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 55:sc= 0.00246 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0257) USER MOD Single : A 67 THR OG1 : rot -117:sc= 0.076 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.094) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= -0.0214 (180deg=-0.227) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc=-0.000489 K(o=-0.00049,f=-2.8!) USER MOD Single : A 96 LYS NZ :NH3+ -144:sc= 0.631 (180deg=-0.0326) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot -4:sc= 0.535 USER MOD Single : A 107 NAG O3 : rot -160:sc= 0 USER MOD Single : A 107 NAG O6 : rot 180:sc= 0 USER MOD Single : A 108 BMA O2 : rot -31:sc= 0.0183 USER MOD Single : A 108 BMA O4 : rot 36:sc= 0.00215 USER MOD Single : A 109 MAN O3 : rot 25:sc= 0.045 USER MOD Single : A 109 MAN O4 : rot -151:sc= 0.377 USER MOD Single : A 109 MAN O6 : rot 180:sc= 0.362 USER MOD Single : A 110 MAN O2 : rot 145:sc= 0.0342 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0423 USER MOD Single : A 110 MAN O4 : rot 150:sc= 0 USER MOD Single : A 110 MAN O6 : rot 30:sc= 0.378 USER MOD Single : A 111 MAN O2 : rot 146:sc= 0.0617 USER MOD Single : A 111 MAN O4 : rot 120:sc= -1.28 USER MOD Single : A 112 MAN O2 : rot 153:sc= -2.67! USER MOD Single : A 112 MAN O3 : rot 180:sc= 0.0325 USER MOD Single : A 112 MAN O4 : rot 180:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0 USER MOD Single : A 113 MAN O3 : rot 21:sc= 0.0244 USER MOD Single : A 113 MAN O4 : rot -145:sc= 0.301 USER MOD Single : A 113 MAN O6 : rot 180:sc= 0.281 USER MOD Single : A 114 MAN O2 : rot 145:sc= 0.0324 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0302 USER MOD Single : A 114 MAN O4 : rot 170:sc= 0 USER MOD Single : A 114 MAN O6 : rot 3:sc= 0.596 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.594 15.915 -9.800 1.00 0.00 N ATOM 2 CA LYS A 1 11.658 14.795 -9.809 1.00 0.00 C ATOM 3 C LYS A 1 12.193 13.650 -10.635 1.00 0.00 C ATOM 4 O LYS A 1 12.416 13.764 -11.849 1.00 0.00 O ATOM 5 CB LYS A 1 10.282 15.274 -10.348 1.00 0.00 C ATOM 6 CG LYS A 1 9.511 14.180 -11.128 1.00 0.00 C ATOM 7 CD LYS A 1 8.007 14.128 -10.845 1.00 0.00 C ATOM 8 CE LYS A 1 7.250 14.771 -12.015 1.00 0.00 C ATOM 9 NZ LYS A 1 6.844 16.138 -11.642 1.00 0.00 N ATOM 0 H1 LYS A 1 12.203 16.689 -9.226 1.00 0.00 H new ATOM 0 H2 LYS A 1 13.501 15.606 -9.395 1.00 0.00 H new ATOM 0 H3 LYS A 1 12.746 16.248 -10.773 1.00 0.00 H new ATOM 0 HA LYS A 1 11.532 14.431 -8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.670 15.612 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 1 10.435 16.134 -10.999 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.660 14.342 -12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.945 13.209 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.685 13.095 -10.712 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.781 14.654 -9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.883 14.797 -12.902 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.373 14.175 -12.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.331 16.576 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.226 16.101 -10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.689 16.703 -11.422 1.00 0.00 H new ATOM 25 N GLU A 2 12.410 12.520 -9.988 1.00 0.00 N ATOM 26 CA GLU A 2 12.890 11.319 -10.666 1.00 0.00 C ATOM 27 C GLU A 2 11.776 10.649 -11.434 1.00 0.00 C ATOM 28 O GLU A 2 10.592 10.993 -11.306 1.00 0.00 O ATOM 29 CB GLU A 2 13.497 10.362 -9.602 1.00 0.00 C ATOM 30 CG GLU A 2 15.054 10.351 -9.451 1.00 0.00 C ATOM 31 CD GLU A 2 15.696 9.237 -8.622 1.00 0.00 C ATOM 32 OE1 GLU A 2 15.120 8.192 -8.351 1.00 0.00 O ATOM 33 OE2 GLU A 2 16.965 9.517 -8.216 1.00 0.00 O ATOM 0 H GLU A 2 12.262 12.404 -8.986 1.00 0.00 H new ATOM 0 HA GLU A 2 13.657 11.588 -11.392 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.066 10.617 -8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 2 13.174 9.348 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.484 10.311 -10.452 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.352 11.304 -9.014 1.00 0.00 H new ATOM 40 N ILE A 3 12.135 9.665 -12.238 1.00 0.00 N ATOM 41 CA ILE A 3 11.156 8.893 -12.999 1.00 0.00 C ATOM 42 C ILE A 3 10.879 7.565 -12.333 1.00 0.00 C ATOM 43 O ILE A 3 11.732 6.668 -12.278 1.00 0.00 O ATOM 44 CB ILE A 3 11.607 8.714 -14.505 1.00 0.00 C ATOM 45 CG1 ILE A 3 12.497 9.872 -15.062 1.00 0.00 C ATOM 46 CG2 ILE A 3 10.402 8.520 -15.478 1.00 0.00 C ATOM 47 CD1 ILE A 3 13.418 9.505 -16.243 1.00 0.00 C ATOM 0 H ILE A 3 13.102 9.376 -12.385 1.00 0.00 H new ATOM 0 HA ILE A 3 10.221 9.454 -13.011 1.00 0.00 H new ATOM 0 HB ILE A 3 12.212 7.808 -14.470 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.845 10.687 -15.375 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.115 10.252 -14.249 1.00 0.00 H new ATOM 0 HG21 ILE A 3 10.772 8.402 -16.496 1.00 0.00 H new ATOM 0 HG22 ILE A 3 9.842 7.630 -15.190 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.750 9.392 -15.427 1.00 0.00 H new ATOM 0 HD11 ILE A 3 13.988 10.383 -16.547 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.104 8.715 -15.937 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.814 9.157 -17.081 1.00 0.00 H new ATOM 59 N THR A 4 9.679 7.425 -11.802 1.00 0.00 N ATOM 60 CA THR A 4 9.228 6.172 -11.203 1.00 0.00 C ATOM 61 C THR A 4 7.731 6.021 -11.335 1.00 0.00 C ATOM 62 O THR A 4 6.979 7.010 -11.385 1.00 0.00 O ATOM 63 CB THR A 4 9.660 6.094 -9.700 1.00 0.00 C ATOM 64 OG1 THR A 4 9.146 7.205 -8.976 1.00 0.00 O ATOM 65 CG2 THR A 4 11.179 6.121 -9.422 1.00 0.00 C ATOM 0 H THR A 4 8.986 8.173 -11.771 1.00 0.00 H new ATOM 0 HA THR A 4 9.700 5.349 -11.740 1.00 0.00 H new ATOM 0 HB THR A 4 9.265 5.126 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.423 7.141 -8.038 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.353 6.061 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.654 5.273 -9.914 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.603 7.048 -9.807 1.00 0.00 H new ATOM 73 N ASN A 5 7.262 4.788 -11.416 1.00 0.00 N ATOM 74 CA ASN A 5 5.834 4.526 -11.589 1.00 0.00 C ATOM 75 C ASN A 5 5.468 3.126 -11.155 1.00 0.00 C ATOM 76 O ASN A 5 4.835 2.358 -11.900 1.00 0.00 O ATOM 77 CB ASN A 5 5.445 4.757 -13.079 1.00 0.00 C ATOM 78 CG ASN A 5 6.173 5.880 -13.825 1.00 0.00 C ATOM 79 OD1 ASN A 5 7.252 5.708 -14.373 1.00 0.00 O ATOM 80 ND2 ASN A 5 5.608 7.055 -13.897 1.00 0.00 N ATOM 0 H ASN A 5 7.843 3.951 -11.366 1.00 0.00 H new ATOM 0 HA ASN A 5 5.277 5.215 -10.955 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.614 3.826 -13.621 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.375 4.961 -13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.067 7.811 -14.405 1.00 0.00 H new ATOM 0 HD22 ASN A 5 4.708 7.216 -13.446 1.00 0.00 H new ATOM 87 N ALA A 6 5.830 2.774 -9.935 1.00 0.00 N ATOM 88 CA ALA A 6 5.416 1.506 -9.343 1.00 0.00 C ATOM 89 C ALA A 6 5.960 1.337 -7.941 1.00 0.00 C ATOM 90 O ALA A 6 6.753 2.135 -7.423 1.00 0.00 O ATOM 91 CB ALA A 6 5.871 0.379 -10.287 1.00 0.00 C ATOM 0 H ALA A 6 6.414 3.350 -9.328 1.00 0.00 H new ATOM 0 HA ALA A 6 4.332 1.477 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.576 -0.585 -9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.405 0.512 -11.263 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.955 0.411 -10.395 1.00 0.00 H new ATOM 97 N LEU A 7 5.543 0.252 -7.308 1.00 0.00 N ATOM 98 CA LEU A 7 5.997 -0.114 -5.971 1.00 0.00 C ATOM 99 C LEU A 7 6.209 -1.607 -5.869 1.00 0.00 C ATOM 100 O LEU A 7 5.281 -2.407 -6.084 1.00 0.00 O ATOM 101 CB LEU A 7 4.983 0.373 -4.898 1.00 0.00 C ATOM 102 CG LEU A 7 5.293 1.680 -4.119 1.00 0.00 C ATOM 103 CD1 LEU A 7 4.380 1.874 -2.897 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.760 1.693 -3.669 1.00 0.00 C ATOM 0 H LEU A 7 4.875 -0.406 -7.709 1.00 0.00 H new ATOM 0 HA LEU A 7 6.952 0.378 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.018 0.502 -5.389 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.865 -0.427 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 7 5.103 2.506 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.642 2.803 -2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.341 1.919 -3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.509 1.038 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.965 2.614 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.949 0.838 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.409 1.636 -4.543 1.00 0.00 H new ATOM 116 N GLU A 8 7.425 -2.021 -5.569 1.00 0.00 N ATOM 117 CA GLU A 8 7.764 -3.442 -5.521 1.00 0.00 C ATOM 118 C GLU A 8 7.003 -4.140 -4.419 1.00 0.00 C ATOM 119 O GLU A 8 7.445 -4.218 -3.264 1.00 0.00 O ATOM 120 CB GLU A 8 9.299 -3.580 -5.320 1.00 0.00 C ATOM 121 CG GLU A 8 10.205 -3.449 -6.589 1.00 0.00 C ATOM 122 CD GLU A 8 9.898 -2.332 -7.590 1.00 0.00 C ATOM 123 OE1 GLU A 8 8.751 -2.530 -8.297 1.00 0.00 O ATOM 124 OE2 GLU A 8 10.619 -1.355 -7.739 1.00 0.00 O ATOM 0 H GLU A 8 8.202 -1.396 -5.353 1.00 0.00 H new ATOM 0 HA GLU A 8 7.478 -3.920 -6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.614 -2.823 -4.601 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.493 -4.552 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.233 -3.319 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.164 -4.397 -7.126 1.00 0.00 H new ATOM 131 N THR A 9 5.840 -4.663 -4.761 1.00 0.00 N ATOM 132 CA THR A 9 4.931 -5.259 -3.784 1.00 0.00 C ATOM 133 C THR A 9 4.781 -6.742 -4.033 1.00 0.00 C ATOM 134 O THR A 9 4.602 -7.193 -5.174 1.00 0.00 O ATOM 135 CB THR A 9 3.543 -4.535 -3.817 1.00 0.00 C ATOM 136 OG1 THR A 9 3.294 -3.995 -5.109 1.00 0.00 O ATOM 137 CG2 THR A 9 3.373 -3.337 -2.859 1.00 0.00 C ATOM 0 H THR A 9 5.494 -4.689 -5.720 1.00 0.00 H new ATOM 0 HA THR A 9 5.355 -5.129 -2.788 1.00 0.00 H new ATOM 0 HB THR A 9 2.857 -5.326 -3.513 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.980 -3.328 -5.323 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.373 -2.919 -2.973 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.512 -3.671 -1.831 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.114 -2.574 -3.096 1.00 0.00 H new ATOM 145 N TRP A 10 4.826 -7.523 -2.971 1.00 0.00 N ATOM 146 CA TRP A 10 4.857 -8.979 -3.079 1.00 0.00 C ATOM 147 C TRP A 10 4.008 -9.631 -2.015 1.00 0.00 C ATOM 148 O TRP A 10 3.691 -9.038 -0.973 1.00 0.00 O ATOM 149 CB TRP A 10 6.331 -9.458 -2.935 1.00 0.00 C ATOM 150 CG TRP A 10 7.250 -9.015 -4.080 1.00 0.00 C ATOM 151 CD1 TRP A 10 7.996 -7.820 -4.125 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.440 -9.627 -5.300 1.00 0.00 C ATOM 153 NE1 TRP A 10 8.650 -7.664 -5.363 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.290 -8.798 -6.074 1.00 0.00 C ATOM 155 CE3 TRP A 10 6.949 -10.849 -5.827 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.635 -9.176 -7.391 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.233 -11.157 -7.158 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.069 -10.335 -7.928 1.00 0.00 C ATOM 0 H TRP A 10 4.842 -7.175 -2.012 1.00 0.00 H new ATOM 0 HA TRP A 10 4.452 -9.266 -4.050 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.733 -9.082 -1.995 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.343 -10.546 -2.874 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.058 -7.112 -3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.249 -6.896 -5.666 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.370 -11.524 -5.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.323 -8.580 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.802 -12.042 -7.602 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.279 -10.602 -8.953 1.00 0.00 H new ATOM 169 N GLY A 11 3.620 -10.871 -2.257 1.00 0.00 N ATOM 170 CA GLY A 11 2.912 -11.667 -1.259 1.00 0.00 C ATOM 171 C GLY A 11 3.003 -13.141 -1.575 1.00 0.00 C ATOM 172 O GLY A 11 3.476 -13.553 -2.645 1.00 0.00 O ATOM 0 H GLY A 11 3.783 -11.354 -3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.333 -11.477 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.866 -11.364 -1.223 1.00 0.00 H new ATOM 176 N ALA A 12 2.571 -13.965 -0.639 1.00 0.00 N ATOM 177 CA ALA A 12 2.460 -15.407 -0.852 1.00 0.00 C ATOM 178 C ALA A 12 1.029 -15.788 -1.151 1.00 0.00 C ATOM 179 O ALA A 12 0.085 -15.051 -0.790 1.00 0.00 O ATOM 180 CB ALA A 12 3.021 -16.112 0.394 1.00 0.00 C ATOM 0 H ALA A 12 2.286 -13.660 0.292 1.00 0.00 H new ATOM 0 HA ALA A 12 3.040 -15.723 -1.720 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.951 -17.192 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.065 -15.830 0.533 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.445 -15.814 1.271 1.00 0.00 H new ATOM 186 N LEU A 13 0.811 -16.929 -1.781 1.00 0.00 N ATOM 187 CA LEU A 13 -0.535 -17.295 -2.233 1.00 0.00 C ATOM 188 C LEU A 13 -1.440 -17.588 -1.057 1.00 0.00 C ATOM 189 O LEU A 13 -1.106 -18.328 -0.121 1.00 0.00 O ATOM 190 CB LEU A 13 -0.518 -18.499 -3.216 1.00 0.00 C ATOM 191 CG LEU A 13 -0.637 -18.216 -4.738 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.729 -18.057 -5.424 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.428 -19.342 -5.421 1.00 0.00 C ATOM 0 H LEU A 13 1.534 -17.616 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.930 -16.436 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.410 -19.047 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.335 -19.165 -2.938 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.164 -17.267 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.582 -17.861 -6.486 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.268 -17.224 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.307 -18.973 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.507 -19.136 -6.488 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.913 -20.291 -5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.427 -19.400 -4.988 1.00 0.00 H new ATOM 205 N GLY A 14 -2.624 -16.994 -1.103 1.00 0.00 N ATOM 206 CA GLY A 14 -3.598 -17.111 -0.024 1.00 0.00 C ATOM 207 C GLY A 14 -3.238 -16.207 1.131 1.00 0.00 C ATOM 208 O GLY A 14 -3.475 -16.549 2.309 1.00 0.00 O ATOM 0 H GLY A 14 -2.937 -16.419 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.590 -16.855 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.643 -18.145 0.319 1.00 0.00 H new ATOM 212 N GLN A 15 -2.687 -15.041 0.855 1.00 0.00 N ATOM 213 CA GLN A 15 -2.152 -14.178 1.911 1.00 0.00 C ATOM 214 C GLN A 15 -2.699 -12.777 1.788 1.00 0.00 C ATOM 215 O GLN A 15 -3.068 -12.317 0.698 1.00 0.00 O ATOM 216 CB GLN A 15 -0.610 -14.182 1.825 1.00 0.00 C ATOM 217 CG GLN A 15 0.105 -12.825 2.132 1.00 0.00 C ATOM 218 CD GLN A 15 1.194 -12.781 3.211 1.00 0.00 C ATOM 219 OE1 GLN A 15 2.374 -12.904 2.923 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.865 -12.592 4.464 1.00 0.00 N ATOM 0 H GLN A 15 -2.594 -14.662 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.459 -14.560 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.231 -14.933 2.518 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.324 -14.500 0.822 1.00 0.00 H new ATOM 0 HG2 GLN A 15 0.550 -12.471 1.202 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.664 -12.105 2.412 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.116 -12.487 4.723 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.590 -12.550 5.181 1.00 0.00 H new ATOM 229 N ASP A 16 -2.787 -12.076 2.904 1.00 0.00 N ATOM 230 CA ASP A 16 -3.232 -10.684 2.897 1.00 0.00 C ATOM 231 C ASP A 16 -2.052 -9.747 3.014 1.00 0.00 C ATOM 232 O ASP A 16 -1.124 -9.945 3.810 1.00 0.00 O ATOM 233 CB ASP A 16 -4.294 -10.458 4.005 1.00 0.00 C ATOM 234 CG ASP A 16 -4.351 -9.061 4.638 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.382 -8.059 3.708 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.365 -8.875 5.846 1.00 0.00 O ATOM 0 H ASP A 16 -2.558 -12.442 3.828 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.711 -10.460 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.275 -10.680 3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.115 -11.183 4.799 1.00 0.00 H new ATOM 241 N ILE A 17 -2.066 -8.710 2.192 1.00 0.00 N ATOM 242 CA ILE A 17 -0.937 -7.792 2.070 1.00 0.00 C ATOM 243 C ILE A 17 -1.415 -6.367 1.925 1.00 0.00 C ATOM 244 O ILE A 17 -2.551 -6.101 1.497 1.00 0.00 O ATOM 245 CB ILE A 17 0.024 -8.224 0.887 1.00 0.00 C ATOM 246 CG1 ILE A 17 1.366 -7.428 0.802 1.00 0.00 C ATOM 247 CG2 ILE A 17 -0.669 -8.153 -0.509 1.00 0.00 C ATOM 248 CD1 ILE A 17 2.417 -7.757 1.882 1.00 0.00 C ATOM 0 H ILE A 17 -2.857 -8.478 1.591 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.352 -7.843 2.989 1.00 0.00 H new ATOM 0 HB ILE A 17 0.264 -9.257 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.811 -7.608 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.138 -6.364 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.036 -8.460 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.532 -8.818 -0.521 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.996 -7.131 -0.701 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.305 -7.145 1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.003 -7.547 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.686 -8.811 1.818 1.00 0.00 H new ATOM 260 N ASN A 18 -0.560 -5.417 2.258 1.00 0.00 N ATOM 261 CA ASN A 18 -0.953 -4.010 2.300 1.00 0.00 C ATOM 262 C ASN A 18 -0.354 -3.221 1.156 1.00 0.00 C ATOM 263 O ASN A 18 0.508 -3.679 0.394 1.00 0.00 O ATOM 264 CB ASN A 18 -0.523 -3.397 3.665 1.00 0.00 C ATOM 265 CG ASN A 18 -1.078 -4.063 4.929 1.00 0.00 C ATOM 266 OD1 ASN A 18 -0.387 -4.760 5.657 1.00 0.00 O ATOM 267 ND2 ASN A 18 -2.333 -3.877 5.237 1.00 0.00 N ATOM 0 H ASN A 18 0.415 -5.589 2.505 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.036 -3.955 2.194 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.565 -3.420 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.821 -2.349 3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.722 -4.311 6.074 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.924 -3.298 4.640 1.00 0.00 H new ATOM 274 N LEU A 19 -0.802 -1.982 1.036 1.00 0.00 N ATOM 275 CA LEU A 19 -0.289 -1.028 0.057 1.00 0.00 C ATOM 276 C LEU A 19 0.121 0.256 0.747 1.00 0.00 C ATOM 277 O LEU A 19 -0.687 0.962 1.366 1.00 0.00 O ATOM 278 CB LEU A 19 -1.341 -0.792 -1.071 1.00 0.00 C ATOM 279 CG LEU A 19 -1.290 -1.770 -2.283 1.00 0.00 C ATOM 280 CD1 LEU A 19 -1.182 -3.217 -1.780 1.00 0.00 C ATOM 281 CD2 LEU A 19 -2.504 -1.645 -3.216 1.00 0.00 C ATOM 0 H LEU A 19 -1.544 -1.601 1.624 1.00 0.00 H new ATOM 0 HA LEU A 19 0.602 -1.436 -0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.335 -0.849 -0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.217 0.224 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.410 -1.497 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.147 -3.897 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.274 -3.330 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.049 -3.453 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.405 -2.353 -4.038 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.415 -1.861 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.554 -0.632 -3.614 1.00 0.00 H new ATOM 293 N ASP A 20 1.401 0.567 0.668 1.00 0.00 N ATOM 294 CA ASP A 20 2.003 1.686 1.396 1.00 0.00 C ATOM 295 C ASP A 20 2.623 2.656 0.416 1.00 0.00 C ATOM 296 O ASP A 20 3.610 2.351 -0.270 1.00 0.00 O ATOM 297 CB ASP A 20 3.016 1.178 2.454 1.00 0.00 C ATOM 298 CG ASP A 20 2.580 -0.028 3.301 1.00 0.00 C ATOM 299 OD1 ASP A 20 1.416 -0.238 3.608 1.00 0.00 O ATOM 300 OD2 ASP A 20 3.630 -0.813 3.687 1.00 0.00 O ATOM 0 H ASP A 20 2.065 0.049 0.093 1.00 0.00 H new ATOM 0 HA ASP A 20 1.228 2.221 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.942 0.917 1.941 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.246 2.003 3.129 1.00 0.00 H new ATOM 305 N ILE A 21 2.065 3.850 0.357 1.00 0.00 N ATOM 306 CA ILE A 21 2.405 4.804 -0.701 1.00 0.00 C ATOM 307 C ILE A 21 3.457 5.814 -0.309 1.00 0.00 C ATOM 308 O ILE A 21 4.640 5.710 -0.726 1.00 0.00 O ATOM 309 CB ILE A 21 1.063 5.461 -1.263 1.00 0.00 C ATOM 310 CG1 ILE A 21 1.197 6.899 -1.859 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.093 5.482 -0.212 1.00 0.00 C ATOM 312 CD1 ILE A 21 -0.049 7.800 -1.719 1.00 0.00 C ATOM 0 H ILE A 21 1.374 4.190 1.025 1.00 0.00 H new ATOM 0 HA ILE A 21 2.887 4.254 -1.509 1.00 0.00 H new ATOM 0 HB ILE A 21 0.824 4.791 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.038 7.396 -1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.443 6.812 -2.917 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.978 5.940 -0.654 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.326 4.462 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.218 6.059 0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.154 8.773 -2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.893 7.336 -2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.289 7.928 -0.663 1.00 0.00 H new ATOM 324 N PRO A 22 3.106 6.821 0.462 1.00 0.00 N ATOM 325 CA PRO A 22 3.968 8.031 0.840 1.00 0.00 C ATOM 326 C PRO A 22 4.860 7.893 2.050 1.00 0.00 C ATOM 327 O PRO A 22 4.641 7.079 2.958 1.00 0.00 O ATOM 328 CB PRO A 22 2.963 9.147 1.134 1.00 0.00 C ATOM 329 CG PRO A 22 1.885 8.341 1.884 1.00 0.00 C ATOM 330 CD PRO A 22 1.790 7.019 1.113 1.00 0.00 C ATOM 0 HA PRO A 22 4.661 8.198 0.016 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.390 9.942 1.745 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.580 9.613 0.226 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.165 8.175 2.924 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.930 8.866 1.891 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.561 6.192 1.786 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.992 7.058 0.372 1.00 0.00 H new ATOM 338 N SER A 23 5.895 8.720 2.098 1.00 0.00 N ATOM 339 CA SER A 23 6.741 8.879 3.274 1.00 0.00 C ATOM 340 C SER A 23 6.234 10.005 4.148 1.00 0.00 C ATOM 341 O SER A 23 6.990 10.623 4.918 1.00 0.00 O ATOM 342 CB SER A 23 8.218 9.107 2.867 1.00 0.00 C ATOM 343 OG SER A 23 8.609 8.331 1.729 1.00 0.00 O ATOM 0 H SER A 23 6.175 9.307 1.312 1.00 0.00 H new ATOM 0 HA SER A 23 6.696 7.957 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.370 10.164 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.864 8.859 3.709 1.00 0.00 H new ATOM 0 HG SER A 23 9.548 8.514 1.515 1.00 0.00 H new ATOM 349 N PHE A 24 4.958 10.318 4.040 1.00 0.00 N ATOM 350 CA PHE A 24 4.351 11.483 4.688 1.00 0.00 C ATOM 351 C PHE A 24 3.333 11.050 5.714 1.00 0.00 C ATOM 352 O PHE A 24 2.748 9.953 5.624 1.00 0.00 O ATOM 353 CB PHE A 24 3.647 12.364 3.611 1.00 0.00 C ATOM 354 CG PHE A 24 3.214 13.785 3.998 1.00 0.00 C ATOM 355 CD1 PHE A 24 3.962 14.545 4.899 1.00 0.00 C ATOM 356 CD2 PHE A 24 2.086 14.351 3.388 1.00 0.00 C ATOM 357 CE1 PHE A 24 3.593 15.858 5.182 1.00 0.00 C ATOM 358 CE2 PHE A 24 1.723 15.664 3.667 1.00 0.00 C ATOM 359 CZ PHE A 24 2.471 16.415 4.570 1.00 0.00 C ATOM 0 H PHE A 24 4.296 9.767 3.493 1.00 0.00 H new ATOM 0 HA PHE A 24 5.135 12.053 5.187 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.319 12.443 2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.761 11.828 3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.829 14.114 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.496 13.765 2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.176 16.445 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.862 16.101 3.184 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.182 17.431 4.797 1.00 0.00 H new ATOM 369 N GLN A 25 3.071 11.891 6.696 1.00 0.00 N ATOM 370 CA GLN A 25 2.049 11.617 7.705 1.00 0.00 C ATOM 371 C GLN A 25 1.029 12.732 7.754 1.00 0.00 C ATOM 372 O GLN A 25 1.175 13.731 8.472 1.00 0.00 O ATOM 373 CB GLN A 25 2.739 11.422 9.073 1.00 0.00 C ATOM 374 CG GLN A 25 4.076 10.607 9.059 1.00 0.00 C ATOM 375 CD GLN A 25 4.904 10.500 10.346 1.00 0.00 C ATOM 376 OE1 GLN A 25 6.119 10.623 10.325 1.00 0.00 O ATOM 377 NE2 GLN A 25 4.314 10.248 11.486 1.00 0.00 N ATOM 0 H GLN A 25 3.554 12.780 6.822 1.00 0.00 H new ATOM 0 HA GLN A 25 1.511 10.705 7.445 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.941 12.405 9.499 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.039 10.922 9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.838 9.593 8.737 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.717 11.042 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.300 10.142 11.523 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.868 10.157 12.338 1.00 0.00 H new ATOM 386 N MET A 26 -0.033 12.568 6.984 1.00 0.00 N ATOM 387 CA MET A 26 -1.044 13.607 6.811 1.00 0.00 C ATOM 388 C MET A 26 -1.690 13.967 8.127 1.00 0.00 C ATOM 389 O MET A 26 -1.489 13.308 9.158 1.00 0.00 O ATOM 390 CB MET A 26 -2.112 13.140 5.782 1.00 0.00 C ATOM 391 CG MET A 26 -2.754 11.763 6.055 1.00 0.00 C ATOM 392 SD MET A 26 -3.444 11.100 4.529 1.00 0.00 S ATOM 393 CE MET A 26 -4.618 9.944 5.249 1.00 0.00 C ATOM 0 H MET A 26 -0.222 11.714 6.460 1.00 0.00 H new ATOM 0 HA MET A 26 -0.555 14.503 6.430 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.904 13.888 5.745 1.00 0.00 H new ATOM 0 HB3 MET A 26 -1.651 13.115 4.795 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.008 11.077 6.456 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.537 11.859 6.808 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.519 9.912 4.637 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.172 8.950 5.290 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.876 10.268 6.257 1.00 0.00 H new ATOM 403 N SER A 27 -2.496 15.012 8.111 1.00 0.00 N ATOM 404 CA SER A 27 -3.174 15.481 9.317 1.00 0.00 C ATOM 405 C SER A 27 -4.539 16.041 8.975 1.00 0.00 C ATOM 406 O SER A 27 -5.381 15.323 8.387 1.00 0.00 O ATOM 407 CB SER A 27 -2.273 16.479 10.087 1.00 0.00 C ATOM 408 OG SER A 27 -2.777 16.801 11.388 1.00 0.00 O ATOM 0 H SER A 27 -2.701 15.558 7.274 1.00 0.00 H new ATOM 0 HA SER A 27 -3.349 14.641 9.989 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.273 16.056 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.175 17.395 9.505 1.00 0.00 H new ATOM 0 HG SER A 27 -2.169 17.431 11.828 1.00 0.00 H new ATOM 414 N ASP A 28 -4.834 17.277 9.321 1.00 0.00 N ATOM 415 CA ASP A 28 -6.181 17.827 9.180 1.00 0.00 C ATOM 416 C ASP A 28 -6.391 18.493 7.842 1.00 0.00 C ATOM 417 O ASP A 28 -7.183 19.468 7.747 1.00 0.00 O ATOM 418 CB ASP A 28 -6.467 18.809 10.352 1.00 0.00 C ATOM 419 CG ASP A 28 -5.547 20.034 10.458 1.00 0.00 C ATOM 420 OD1 ASP A 28 -4.416 19.980 10.918 1.00 0.00 O ATOM 421 OD2 ASP A 28 -6.119 21.173 9.963 1.00 0.00 O ATOM 0 H ASP A 28 -4.155 17.933 9.707 1.00 0.00 H new ATOM 0 HA ASP A 28 -6.891 17.001 9.223 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.495 19.161 10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -6.403 18.252 11.287 1.00 0.00 H new ATOM 426 N ASP A 29 -5.769 18.033 6.773 1.00 0.00 N ATOM 427 CA ASP A 29 -5.806 18.739 5.488 1.00 0.00 C ATOM 428 C ASP A 29 -6.513 17.957 4.397 1.00 0.00 C ATOM 429 O ASP A 29 -7.279 18.497 3.587 1.00 0.00 O ATOM 430 CB ASP A 29 -4.364 19.123 5.062 1.00 0.00 C ATOM 431 CG ASP A 29 -3.654 20.184 5.916 1.00 0.00 C ATOM 432 OD1 ASP A 29 -4.522 20.933 6.661 1.00 0.00 O ATOM 433 OD2 ASP A 29 -2.443 20.346 5.904 1.00 0.00 O ATOM 0 H ASP A 29 -5.227 17.169 6.761 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.396 19.644 5.630 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.755 18.219 5.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.397 19.480 4.033 1.00 0.00 H new ATOM 438 N ILE A 30 -6.270 16.659 4.392 1.00 0.00 N ATOM 439 CA ILE A 30 -6.749 15.788 3.324 1.00 0.00 C ATOM 440 C ILE A 30 -8.143 15.282 3.613 1.00 0.00 C ATOM 441 O ILE A 30 -8.488 14.931 4.750 1.00 0.00 O ATOM 442 CB ILE A 30 -5.732 14.606 3.052 1.00 0.00 C ATOM 443 CG1 ILE A 30 -4.246 14.931 3.411 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.773 14.100 1.576 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.177 14.091 2.682 1.00 0.00 C ATOM 0 H ILE A 30 -5.740 16.178 5.119 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.808 16.378 2.409 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.082 13.824 3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.062 15.984 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.115 14.798 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.055 13.290 1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.774 13.737 1.343 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.518 14.919 0.903 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.185 14.402 3.008 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.321 13.036 2.916 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.268 14.240 1.606 1.00 0.00 H new ATOM 457 N ASP A 31 -8.957 15.215 2.574 1.00 0.00 N ATOM 458 CA ASP A 31 -10.372 14.886 2.713 1.00 0.00 C ATOM 459 C ASP A 31 -10.743 13.644 1.935 1.00 0.00 C ATOM 460 O ASP A 31 -11.648 12.885 2.347 1.00 0.00 O ATOM 461 CB ASP A 31 -11.244 16.102 2.296 1.00 0.00 C ATOM 462 CG ASP A 31 -11.710 17.035 3.423 1.00 0.00 C ATOM 463 OD1 ASP A 31 -10.717 17.322 4.318 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.848 17.475 3.496 1.00 0.00 O ATOM 0 H ASP A 31 -8.661 15.386 1.613 1.00 0.00 H new ATOM 0 HA ASP A 31 -10.566 14.663 3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.680 16.694 1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.127 15.726 1.778 1.00 0.00 H new ATOM 469 N ASP A 32 -10.075 13.377 0.830 1.00 0.00 N ATOM 470 CA ASP A 32 -10.463 12.284 -0.062 1.00 0.00 C ATOM 471 C ASP A 32 -9.302 11.352 -0.322 1.00 0.00 C ATOM 472 O ASP A 32 -8.123 11.713 -0.205 1.00 0.00 O ATOM 473 CB ASP A 32 -11.054 12.856 -1.377 1.00 0.00 C ATOM 474 CG ASP A 32 -12.017 14.045 -1.239 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.765 14.188 -0.282 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.950 14.908 -2.297 1.00 0.00 O ATOM 0 H ASP A 32 -9.256 13.901 0.521 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.237 11.691 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.227 13.160 -2.018 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.578 12.052 -1.893 1.00 0.00 H new ATOM 481 N ILE A 33 -9.629 10.119 -0.664 1.00 0.00 N ATOM 482 CA ILE A 33 -8.636 9.114 -1.032 1.00 0.00 C ATOM 483 C ILE A 33 -9.093 8.324 -2.234 1.00 0.00 C ATOM 484 O ILE A 33 -10.285 8.309 -2.587 1.00 0.00 O ATOM 485 CB ILE A 33 -8.289 8.173 0.193 1.00 0.00 C ATOM 486 CG1 ILE A 33 -8.236 8.899 1.576 1.00 0.00 C ATOM 487 CG2 ILE A 33 -6.951 7.394 0.001 1.00 0.00 C ATOM 488 CD1 ILE A 33 -8.558 8.027 2.806 1.00 0.00 C ATOM 0 H ILE A 33 -10.591 9.781 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.717 9.631 -1.308 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.127 7.476 0.208 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.240 9.322 1.705 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.936 9.734 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -6.767 6.766 0.873 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.019 6.768 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.131 8.103 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -8.491 8.633 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.567 7.625 2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.844 7.206 2.867 1.00 0.00 H new ATOM 500 N LYS A 34 -8.161 7.668 -2.904 1.00 0.00 N ATOM 501 CA LYS A 34 -8.512 6.767 -4.001 1.00 0.00 C ATOM 502 C LYS A 34 -7.446 5.720 -4.242 1.00 0.00 C ATOM 503 O LYS A 34 -6.239 5.925 -4.057 1.00 0.00 O ATOM 504 CB LYS A 34 -8.760 7.601 -5.288 1.00 0.00 C ATOM 505 CG LYS A 34 -9.968 7.107 -6.123 1.00 0.00 C ATOM 506 CD LYS A 34 -9.617 6.597 -7.524 1.00 0.00 C ATOM 507 CE LYS A 34 -10.598 7.194 -8.542 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.256 8.608 -8.781 1.00 0.00 N ATOM 0 H LYS A 34 -7.161 7.738 -2.714 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.421 6.233 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.922 8.643 -5.011 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.864 7.572 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.467 6.308 -5.575 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.684 7.923 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.595 6.876 -7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.666 5.508 -7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.554 6.635 -9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.619 7.113 -8.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.727 8.937 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.573 9.183 -7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.226 8.702 -8.889 1.00 0.00 H new ATOM 522 N TRP A 35 -7.900 4.555 -4.671 1.00 0.00 N ATOM 523 CA TRP A 35 -7.029 3.465 -5.101 1.00 0.00 C ATOM 524 C TRP A 35 -7.608 2.787 -6.322 1.00 0.00 C ATOM 525 O TRP A 35 -8.670 2.150 -6.273 1.00 0.00 O ATOM 526 CB TRP A 35 -6.864 2.438 -3.946 1.00 0.00 C ATOM 527 CG TRP A 35 -5.691 2.726 -3.003 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.768 3.501 -1.823 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.388 2.287 -3.089 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.527 3.553 -1.160 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.689 2.793 -1.961 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.721 1.481 -4.049 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.320 2.492 -1.781 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.396 1.115 -3.792 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.706 1.610 -2.674 1.00 0.00 C ATOM 0 H TRP A 35 -8.894 4.333 -4.733 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.051 3.871 -5.359 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.785 2.414 -3.363 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.733 1.445 -4.376 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.665 3.991 -1.474 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.298 4.037 -0.292 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.222 1.160 -4.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.760 2.934 -0.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.893 0.438 -4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.685 1.304 -2.501 1.00 0.00 H new ATOM 546 N GLU A 36 -6.930 2.941 -7.443 1.00 0.00 N ATOM 547 CA GLU A 36 -7.441 2.460 -8.724 1.00 0.00 C ATOM 548 C GLU A 36 -6.898 1.084 -9.026 1.00 0.00 C ATOM 549 O GLU A 36 -5.796 0.715 -8.566 1.00 0.00 O ATOM 550 CB GLU A 36 -7.050 3.479 -9.830 1.00 0.00 C ATOM 551 CG GLU A 36 -7.473 4.970 -9.613 1.00 0.00 C ATOM 552 CD GLU A 36 -7.345 5.940 -10.790 1.00 0.00 C ATOM 553 OE1 GLU A 36 -8.335 5.812 -11.716 1.00 0.00 O ATOM 554 OE2 GLU A 36 -6.436 6.754 -10.886 1.00 0.00 O ATOM 0 H GLU A 36 -6.019 3.397 -7.498 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.527 2.377 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.967 3.449 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.483 3.139 -10.771 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.514 4.976 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.880 5.367 -8.789 1.00 0.00 H new ATOM 561 N LYS A 37 -7.622 0.304 -9.805 1.00 0.00 N ATOM 562 CA LYS A 37 -7.207 -1.074 -10.087 1.00 0.00 C ATOM 563 C LYS A 37 -6.506 -1.141 -11.422 1.00 0.00 C ATOM 564 O LYS A 37 -7.141 -1.436 -12.456 1.00 0.00 O ATOM 565 CB LYS A 37 -8.441 -2.016 -10.052 1.00 0.00 C ATOM 566 CG LYS A 37 -8.135 -3.447 -10.564 1.00 0.00 C ATOM 567 CD LYS A 37 -8.737 -4.577 -9.724 1.00 0.00 C ATOM 568 CE LYS A 37 -8.724 -5.876 -10.541 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.354 -6.954 -9.759 1.00 0.00 N ATOM 0 H LYS A 37 -8.493 0.588 -10.254 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.505 -1.404 -9.321 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.815 -2.076 -9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.237 -1.583 -10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.504 -3.538 -11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.054 -3.579 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.166 -4.706 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.757 -4.326 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.259 -5.733 -11.480 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.700 -6.148 -10.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.943 -7.539 -10.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.616 -7.545 -9.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.948 -6.540 -9.013 1.00 0.00 H new ATOM 583 N THR A 38 -5.204 -0.903 -11.446 1.00 0.00 N ATOM 584 CA THR A 38 -4.500 -0.758 -12.726 1.00 0.00 C ATOM 585 C THR A 38 -4.494 -2.067 -13.490 1.00 0.00 C ATOM 586 O THR A 38 -3.680 -2.977 -13.293 1.00 0.00 O ATOM 587 CB THR A 38 -3.052 -0.182 -12.551 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.330 -0.891 -11.554 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.959 1.297 -12.113 1.00 0.00 C ATOM 0 H THR A 38 -4.617 -0.807 -10.617 1.00 0.00 H new ATOM 0 HA THR A 38 -5.051 -0.026 -13.316 1.00 0.00 H new ATOM 0 HB THR A 38 -2.644 -0.286 -13.556 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.741 -0.272 -11.074 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.911 1.585 -12.024 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.447 1.928 -12.856 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.453 1.423 -11.149 1.00 0.00 H new ATOM 597 N SER A 39 -5.461 -2.191 -14.393 1.00 0.00 N ATOM 598 CA SER A 39 -5.675 -3.393 -15.196 1.00 0.00 C ATOM 599 C SER A 39 -6.873 -3.200 -16.109 1.00 0.00 C ATOM 600 O SER A 39 -6.819 -3.289 -17.342 1.00 0.00 O ATOM 601 CB SER A 39 -5.825 -4.649 -14.303 1.00 0.00 C ATOM 602 OG SER A 39 -6.670 -4.436 -13.167 1.00 0.00 O ATOM 0 H SER A 39 -6.130 -1.447 -14.592 1.00 0.00 H new ATOM 0 HA SER A 39 -4.796 -3.558 -15.820 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.230 -5.466 -14.901 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.839 -4.963 -13.960 1.00 0.00 H new ATOM 0 HG SER A 39 -6.728 -5.262 -12.643 1.00 0.00 H new ATOM 608 N ASP A 40 -7.996 -2.900 -15.482 1.00 0.00 N ATOM 609 CA ASP A 40 -9.212 -2.451 -16.148 1.00 0.00 C ATOM 610 C ASP A 40 -9.410 -0.961 -15.933 1.00 0.00 C ATOM 611 O ASP A 40 -10.321 -0.347 -16.520 1.00 0.00 O ATOM 612 CB ASP A 40 -10.435 -3.277 -15.672 1.00 0.00 C ATOM 613 CG ASP A 40 -11.526 -3.555 -16.717 1.00 0.00 C ATOM 614 OD1 ASP A 40 -11.105 -4.391 -17.713 1.00 0.00 O ATOM 615 OD2 ASP A 40 -12.642 -3.058 -16.664 1.00 0.00 O ATOM 0 H ASP A 40 -8.093 -2.963 -14.469 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.112 -2.617 -17.221 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.074 -4.233 -15.294 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.893 -2.755 -14.832 1.00 0.00 H new ATOM 620 N LYS A 41 -8.584 -0.342 -15.110 1.00 0.00 N ATOM 621 CA LYS A 41 -8.583 1.111 -14.955 1.00 0.00 C ATOM 622 C LYS A 41 -9.919 1.611 -14.454 1.00 0.00 C ATOM 623 O LYS A 41 -10.684 2.287 -15.155 1.00 0.00 O ATOM 624 CB LYS A 41 -8.207 1.772 -16.309 1.00 0.00 C ATOM 625 CG LYS A 41 -7.440 3.109 -16.147 1.00 0.00 C ATOM 626 CD LYS A 41 -7.662 4.121 -17.274 1.00 0.00 C ATOM 627 CE LYS A 41 -9.082 4.693 -17.169 1.00 0.00 C ATOM 628 NZ LYS A 41 -9.435 5.362 -18.434 1.00 0.00 N ATOM 0 H LYS A 41 -7.896 -0.824 -14.531 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.840 1.386 -14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.596 1.078 -16.887 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.116 1.950 -16.883 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.735 3.568 -15.203 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.374 2.893 -16.077 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.928 4.924 -17.207 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.522 3.641 -18.242 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.793 3.894 -16.956 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.141 5.401 -16.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.397 5.750 -18.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.763 6.134 -18.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.395 4.675 -19.213 1.00 0.00 H new ATOM 642 N LYS A 42 -10.204 1.293 -13.199 1.00 0.00 N ATOM 643 CA LYS A 42 -11.385 1.835 -12.534 1.00 0.00 C ATOM 644 C LYS A 42 -11.383 1.548 -11.041 1.00 0.00 C ATOM 645 O LYS A 42 -10.770 0.611 -10.517 1.00 0.00 O ATOM 646 CB LYS A 42 -12.663 1.284 -13.221 1.00 0.00 C ATOM 647 CG LYS A 42 -13.331 0.099 -12.481 1.00 0.00 C ATOM 648 CD LYS A 42 -14.438 -0.608 -13.269 1.00 0.00 C ATOM 649 CE LYS A 42 -15.343 0.441 -13.929 1.00 0.00 C ATOM 650 NZ LYS A 42 -16.228 1.035 -12.910 1.00 0.00 N ATOM 0 H LYS A 42 -9.640 0.668 -12.623 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.370 2.920 -12.633 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.388 2.093 -13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.408 0.967 -14.232 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.563 -0.631 -12.226 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.749 0.464 -11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.002 -1.257 -14.028 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.024 -1.243 -12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.737 1.217 -14.397 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.937 -0.020 -14.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.842 1.746 -13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.815 0.290 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.652 1.488 -12.172 1.00 0.00 H new ATOM 664 N LYS A 43 -12.081 2.415 -10.318 1.00 0.00 N ATOM 665 CA LYS A 43 -12.104 2.448 -8.861 1.00 0.00 C ATOM 666 C LYS A 43 -12.254 1.073 -8.241 1.00 0.00 C ATOM 667 O LYS A 43 -12.924 0.164 -8.747 1.00 0.00 O ATOM 668 CB LYS A 43 -13.264 3.372 -8.385 1.00 0.00 C ATOM 669 CG LYS A 43 -13.601 4.555 -9.325 1.00 0.00 C ATOM 670 CD LYS A 43 -14.495 5.640 -8.716 1.00 0.00 C ATOM 671 CE LYS A 43 -15.075 6.502 -9.847 1.00 0.00 C ATOM 672 NZ LYS A 43 -14.957 7.927 -9.490 1.00 0.00 N ATOM 0 H LYS A 43 -12.664 3.136 -10.742 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.142 2.839 -8.530 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.160 2.765 -8.258 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.008 3.772 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.669 5.016 -9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.090 4.162 -10.216 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.300 5.185 -8.139 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.920 6.259 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.544 6.304 -10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.120 6.244 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.350 8.510 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.483 8.109 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.955 8.168 -9.350 1.00 0.00 H new ATOM 686 N ILE A 44 -11.625 0.915 -7.087 1.00 0.00 N ATOM 687 CA ILE A 44 -11.762 -0.271 -6.249 1.00 0.00 C ATOM 688 C ILE A 44 -11.940 0.126 -4.798 1.00 0.00 C ATOM 689 O ILE A 44 -12.782 -0.408 -4.062 1.00 0.00 O ATOM 690 CB ILE A 44 -10.552 -1.272 -6.449 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.142 -0.599 -6.436 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.675 -2.117 -7.754 1.00 0.00 C ATOM 693 CD1 ILE A 44 -7.936 -1.560 -6.438 1.00 0.00 C ATOM 0 H ILE A 44 -10.995 1.617 -6.698 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.659 -0.807 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.626 -1.920 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.064 0.053 -7.306 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.073 0.038 -5.554 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.817 -2.785 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.592 -2.706 -7.721 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.702 -1.452 -8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.011 -0.983 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.976 -2.196 -5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.967 -2.181 -7.333 1.00 0.00 H new ATOM 705 N ALA A 45 -11.154 1.097 -4.371 1.00 0.00 N ATOM 706 CA ALA A 45 -11.284 1.709 -3.051 1.00 0.00 C ATOM 707 C ALA A 45 -11.263 3.218 -3.161 1.00 0.00 C ATOM 708 O ALA A 45 -10.467 3.789 -3.936 1.00 0.00 O ATOM 709 CB ALA A 45 -10.153 1.153 -2.168 1.00 0.00 C ATOM 0 H ALA A 45 -10.399 1.490 -4.932 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.241 1.461 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.220 1.591 -1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.247 0.070 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.189 1.405 -2.610 1.00 0.00 H new ATOM 715 N GLN A 46 -12.094 3.905 -2.398 1.00 0.00 N ATOM 716 CA GLN A 46 -12.183 5.364 -2.491 1.00 0.00 C ATOM 717 C GLN A 46 -12.918 5.973 -1.317 1.00 0.00 C ATOM 718 O GLN A 46 -13.825 5.387 -0.711 1.00 0.00 O ATOM 719 CB GLN A 46 -12.885 5.724 -3.819 1.00 0.00 C ATOM 720 CG GLN A 46 -12.698 7.195 -4.319 1.00 0.00 C ATOM 721 CD GLN A 46 -13.812 7.856 -5.139 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.963 7.883 -4.734 1.00 0.00 O ATOM 723 NE2 GLN A 46 -13.531 8.427 -6.283 1.00 0.00 N ATOM 0 H GLN A 46 -12.717 3.485 -1.708 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.175 5.777 -2.468 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -12.521 5.049 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -13.952 5.533 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.522 7.819 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -11.788 7.224 -4.919 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.575 8.415 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -14.268 8.884 -6.819 1.00 0.00 H new ATOM 732 N PHE A 47 -12.540 7.199 -0.990 1.00 0.00 N ATOM 733 CA PHE A 47 -13.220 8.006 0.019 1.00 0.00 C ATOM 734 C PHE A 47 -13.600 9.356 -0.548 1.00 0.00 C ATOM 735 O PHE A 47 -12.769 10.054 -1.159 1.00 0.00 O ATOM 736 CB PHE A 47 -12.290 8.224 1.251 1.00 0.00 C ATOM 737 CG PHE A 47 -12.493 7.286 2.452 1.00 0.00 C ATOM 738 CD1 PHE A 47 -11.896 6.024 2.483 1.00 0.00 C ATOM 739 CD2 PHE A 47 -13.227 7.731 3.557 1.00 0.00 C ATOM 740 CE1 PHE A 47 -12.031 5.215 3.609 1.00 0.00 C ATOM 741 CE2 PHE A 47 -13.364 6.922 4.680 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.766 5.664 4.706 1.00 0.00 C ATOM 0 H PHE A 47 -11.744 7.669 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.121 7.474 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.257 8.128 0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.420 9.250 1.596 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.329 5.675 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -13.689 8.707 3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.567 4.240 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.933 7.268 5.530 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.872 5.035 5.578 1.00 0.00 H new ATOM 752 N ARG A 48 -14.847 9.754 -0.388 1.00 0.00 N ATOM 753 CA ARG A 48 -15.346 10.999 -0.974 1.00 0.00 C ATOM 754 C ARG A 48 -16.413 11.622 -0.101 1.00 0.00 C ATOM 755 O ARG A 48 -17.570 11.178 -0.074 1.00 0.00 O ATOM 756 CB ARG A 48 -15.885 10.713 -2.403 1.00 0.00 C ATOM 757 CG ARG A 48 -16.877 11.768 -2.963 1.00 0.00 C ATOM 758 CD ARG A 48 -16.168 12.931 -3.669 1.00 0.00 C ATOM 759 NE ARG A 48 -17.188 13.942 -4.046 1.00 0.00 N ATOM 760 CZ ARG A 48 -17.102 14.782 -5.069 1.00 0.00 C ATOM 761 NH1 ARG A 48 -16.096 14.836 -5.891 1.00 0.00 N ATOM 762 NH2 ARG A 48 -18.083 15.592 -5.257 1.00 0.00 N ATOM 0 H ARG A 48 -15.544 9.234 0.146 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.527 11.716 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.038 10.638 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.378 9.741 -2.399 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -17.558 11.284 -3.663 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.484 12.160 -2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -15.420 13.374 -3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -15.643 12.574 -4.555 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.027 13.995 -3.469 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.304 14.205 -5.770 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.099 15.510 -6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.888 15.572 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.056 16.254 -6.032 1.00 0.00 H new ATOM 776 N LYS A 49 -16.030 12.650 0.632 1.00 0.00 N ATOM 777 CA LYS A 49 -16.901 13.305 1.604 1.00 0.00 C ATOM 778 C LYS A 49 -17.274 12.346 2.712 1.00 0.00 C ATOM 779 O LYS A 49 -17.310 11.116 2.571 1.00 0.00 O ATOM 780 CB LYS A 49 -18.161 13.881 0.897 1.00 0.00 C ATOM 781 CG LYS A 49 -17.840 15.061 -0.056 1.00 0.00 C ATOM 782 CD LYS A 49 -18.926 16.137 -0.141 1.00 0.00 C ATOM 783 CE LYS A 49 -18.286 17.475 -0.536 1.00 0.00 C ATOM 784 NZ LYS A 49 -17.933 18.228 0.680 1.00 0.00 N ATOM 0 H LYS A 49 -15.099 13.062 0.573 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.363 14.138 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.647 13.087 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.873 14.215 1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.911 15.529 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.664 14.664 -1.056 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.680 15.851 -0.874 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.434 16.233 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.396 17.300 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.977 18.055 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.499 19.135 0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.791 18.406 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.259 17.675 1.247 1.00 0.00 H new ATOM 798 N GLU A 50 -17.539 12.917 3.881 1.00 0.00 N ATOM 799 CA GLU A 50 -17.943 12.137 5.047 1.00 0.00 C ATOM 800 C GLU A 50 -19.438 11.919 5.101 1.00 0.00 C ATOM 801 O GLU A 50 -20.046 11.920 6.193 1.00 0.00 O ATOM 802 CB GLU A 50 -17.441 12.873 6.323 1.00 0.00 C ATOM 803 CG GLU A 50 -18.087 14.258 6.655 1.00 0.00 C ATOM 804 CD GLU A 50 -17.200 15.504 6.602 1.00 0.00 C ATOM 805 OE1 GLU A 50 -16.159 15.400 5.729 1.00 0.00 O ATOM 806 OE2 GLU A 50 -17.409 16.500 7.282 1.00 0.00 O ATOM 0 H GLU A 50 -17.481 13.922 4.048 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.495 11.145 4.982 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.600 12.214 7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -16.365 13.017 6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -18.917 14.411 5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -18.512 14.195 7.657 1.00 0.00 H new ATOM 813 N LYS A 51 -20.077 11.708 3.968 1.00 0.00 N ATOM 814 CA LYS A 51 -21.498 11.324 3.899 1.00 0.00 C ATOM 815 C LYS A 51 -21.735 9.918 3.348 1.00 0.00 C ATOM 816 O LYS A 51 -22.842 9.372 3.369 1.00 0.00 O ATOM 817 CB LYS A 51 -22.231 12.348 2.991 1.00 0.00 C ATOM 818 CG LYS A 51 -23.625 12.778 3.506 1.00 0.00 C ATOM 819 CD LYS A 51 -24.738 12.746 2.454 1.00 0.00 C ATOM 820 CE LYS A 51 -25.813 13.779 2.817 1.00 0.00 C ATOM 821 NZ LYS A 51 -26.887 13.122 3.583 1.00 0.00 N ATOM 0 H LYS A 51 -19.633 11.795 3.054 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.881 11.324 4.920 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.606 13.235 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.342 11.918 1.996 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.908 12.127 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.552 13.789 3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.328 12.963 1.468 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.178 11.750 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -25.374 14.586 3.404 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -26.220 14.229 1.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -27.616 13.822 3.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -27.312 12.367 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -26.492 12.713 4.454 1.00 0.00 H new ATOM 835 N GLU A 52 -20.651 9.336 2.871 1.00 0.00 N ATOM 836 CA GLU A 52 -20.679 8.040 2.205 1.00 0.00 C ATOM 837 C GLU A 52 -19.279 7.567 1.885 1.00 0.00 C ATOM 838 O GLU A 52 -18.359 8.364 1.651 1.00 0.00 O ATOM 839 CB GLU A 52 -21.539 8.165 0.917 1.00 0.00 C ATOM 840 CG GLU A 52 -20.800 8.019 -0.455 1.00 0.00 C ATOM 841 CD GLU A 52 -21.436 8.651 -1.695 1.00 0.00 C ATOM 842 OE1 GLU A 52 -22.670 9.181 -1.469 1.00 0.00 O ATOM 843 OE2 GLU A 52 -20.883 8.676 -2.787 1.00 0.00 O ATOM 0 H GLU A 52 -19.720 9.748 2.933 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.123 7.296 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.323 7.409 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -22.032 9.137 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -19.802 8.443 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -20.674 6.954 -0.653 1.00 0.00 H new ATOM 850 N THR A 53 -19.092 6.260 1.877 1.00 0.00 N ATOM 851 CA THR A 53 -17.794 5.657 1.581 1.00 0.00 C ATOM 852 C THR A 53 -17.911 4.657 0.456 1.00 0.00 C ATOM 853 O THR A 53 -19.005 4.142 0.158 1.00 0.00 O ATOM 854 CB THR A 53 -17.198 4.984 2.863 1.00 0.00 C ATOM 855 OG1 THR A 53 -18.171 4.160 3.491 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.721 5.939 3.979 1.00 0.00 C ATOM 0 H THR A 53 -19.830 5.584 2.074 1.00 0.00 H new ATOM 0 HA THR A 53 -17.114 6.447 1.260 1.00 0.00 H new ATOM 0 HB THR A 53 -16.334 4.449 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 53 -18.074 4.223 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.329 5.357 4.813 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.937 6.590 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 53 -17.559 6.546 4.322 1.00 0.00 H new ATOM 864 N PHE A 54 -16.802 4.334 -0.186 1.00 0.00 N ATOM 865 CA PHE A 54 -16.788 3.315 -1.233 1.00 0.00 C ATOM 866 C PHE A 54 -15.823 2.196 -0.911 1.00 0.00 C ATOM 867 O PHE A 54 -14.650 2.206 -1.311 1.00 0.00 O ATOM 868 CB PHE A 54 -16.372 3.939 -2.604 1.00 0.00 C ATOM 869 CG PHE A 54 -16.206 2.940 -3.764 1.00 0.00 C ATOM 870 CD1 PHE A 54 -16.800 1.676 -3.698 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.406 3.269 -4.863 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.608 0.759 -4.728 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.219 2.354 -5.894 1.00 0.00 C ATOM 874 CZ PHE A 54 -15.820 1.099 -5.826 1.00 0.00 C ATOM 0 H PHE A 54 -15.894 4.762 -0.003 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.799 2.912 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.120 4.679 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.431 4.473 -2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.409 1.410 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.931 4.238 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.070 -0.216 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.609 2.616 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.675 0.388 -6.626 1.00 0.00 H new ATOM 884 N LYS A 55 -16.309 1.211 -0.181 1.00 0.00 N ATOM 885 CA LYS A 55 -15.554 -0.017 0.070 1.00 0.00 C ATOM 886 C LYS A 55 -16.474 -1.092 0.610 1.00 0.00 C ATOM 887 O LYS A 55 -16.969 -1.055 1.745 1.00 0.00 O ATOM 888 CB LYS A 55 -14.355 0.290 1.009 1.00 0.00 C ATOM 889 CG LYS A 55 -14.578 0.118 2.530 1.00 0.00 C ATOM 890 CD LYS A 55 -15.575 1.096 3.158 1.00 0.00 C ATOM 891 CE LYS A 55 -15.060 1.521 4.540 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.942 2.565 5.092 1.00 0.00 N ATOM 0 H LYS A 55 -17.231 1.231 0.255 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.139 -0.403 -0.861 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.525 -0.353 0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -14.041 1.318 0.829 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.924 -0.899 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.619 0.227 3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.699 1.970 2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.555 0.627 3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.032 0.662 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.040 1.896 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.376 3.401 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -16.655 2.828 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.418 2.203 5.943 1.00 0.00 H new ATOM 906 N GLU A 56 -16.761 -2.073 -0.234 1.00 0.00 N ATOM 907 CA GLU A 56 -17.742 -3.108 0.078 1.00 0.00 C ATOM 908 C GLU A 56 -17.199 -4.092 1.086 1.00 0.00 C ATOM 909 O GLU A 56 -17.939 -4.673 1.896 1.00 0.00 O ATOM 910 CB GLU A 56 -18.143 -3.817 -1.247 1.00 0.00 C ATOM 911 CG GLU A 56 -19.395 -3.262 -2.005 1.00 0.00 C ATOM 912 CD GLU A 56 -20.244 -4.240 -2.820 1.00 0.00 C ATOM 913 OE1 GLU A 56 -20.286 -5.441 -2.587 1.00 0.00 O ATOM 914 OE2 GLU A 56 -20.947 -3.649 -3.825 1.00 0.00 O ATOM 0 H GLU A 56 -16.324 -2.176 -1.150 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.623 -2.654 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.291 -3.773 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.321 -4.870 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.046 -2.790 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.054 -2.477 -2.679 1.00 0.00 H new ATOM 921 N LYS A 57 -15.900 -4.319 1.045 1.00 0.00 N ATOM 922 CA LYS A 57 -15.257 -5.295 1.924 1.00 0.00 C ATOM 923 C LYS A 57 -13.776 -5.022 2.034 1.00 0.00 C ATOM 924 O LYS A 57 -13.199 -4.253 1.243 1.00 0.00 O ATOM 925 CB LYS A 57 -15.525 -6.726 1.383 1.00 0.00 C ATOM 926 CG LYS A 57 -15.487 -6.816 -0.164 1.00 0.00 C ATOM 927 CD LYS A 57 -16.785 -7.299 -0.819 1.00 0.00 C ATOM 928 CE LYS A 57 -16.684 -8.807 -1.083 1.00 0.00 C ATOM 929 NZ LYS A 57 -17.261 -9.544 0.055 1.00 0.00 N ATOM 0 H LYS A 57 -15.260 -3.841 0.411 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.678 -5.211 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.783 -7.408 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.500 -7.063 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.241 -5.832 -0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.680 -7.489 -0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.635 -7.087 -0.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.956 -6.764 -1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.213 -9.063 -2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.642 -9.093 -1.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.193 -10.566 -0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.738 -9.308 0.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.260 -9.278 0.170 1.00 0.00 H new ATOM 943 N ASP A 58 -13.128 -5.615 3.019 1.00 0.00 N ATOM 944 CA ASP A 58 -11.713 -5.341 3.276 1.00 0.00 C ATOM 945 C ASP A 58 -10.805 -5.965 2.239 1.00 0.00 C ATOM 946 O ASP A 58 -9.573 -5.729 2.262 1.00 0.00 O ATOM 947 CB ASP A 58 -11.323 -5.800 4.706 1.00 0.00 C ATOM 948 CG ASP A 58 -12.243 -5.372 5.856 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.207 -4.636 5.702 1.00 0.00 O ATOM 950 OD2 ASP A 58 -11.873 -5.906 7.060 1.00 0.00 O ATOM 0 H ASP A 58 -13.551 -6.289 3.657 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.574 -4.262 3.203 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.265 -6.888 4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.321 -5.427 4.919 1.00 0.00 H new ATOM 955 N THR A 59 -11.333 -6.771 1.338 1.00 0.00 N ATOM 956 CA THR A 59 -10.526 -7.306 0.238 1.00 0.00 C ATOM 957 C THR A 59 -9.881 -6.181 -0.534 1.00 0.00 C ATOM 958 O THR A 59 -8.841 -6.351 -1.188 1.00 0.00 O ATOM 959 CB THR A 59 -11.373 -8.206 -0.726 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.540 -8.772 -1.730 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.503 -7.508 -1.512 1.00 0.00 C ATOM 0 H THR A 59 -12.307 -7.073 1.338 1.00 0.00 H new ATOM 0 HA THR A 59 -9.750 -7.933 0.677 1.00 0.00 H new ATOM 0 HB THR A 59 -11.823 -8.924 -0.040 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.802 -9.259 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.013 -8.237 -2.142 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.216 -7.071 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.079 -6.722 -2.137 1.00 0.00 H new ATOM 969 N TYR A 60 -10.508 -5.020 -0.510 1.00 0.00 N ATOM 970 CA TYR A 60 -9.916 -3.818 -1.092 1.00 0.00 C ATOM 971 C TYR A 60 -10.353 -2.579 -0.342 1.00 0.00 C ATOM 972 O TYR A 60 -11.347 -1.922 -0.693 1.00 0.00 O ATOM 973 CB TYR A 60 -10.331 -3.670 -2.585 1.00 0.00 C ATOM 974 CG TYR A 60 -9.550 -4.519 -3.599 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.195 -4.795 -3.396 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.193 -5.020 -4.736 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.491 -5.558 -4.324 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.487 -5.785 -5.660 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.138 -6.056 -5.451 1.00 0.00 C ATOM 980 OH TYR A 60 -7.449 -6.817 -6.354 1.00 0.00 O ATOM 0 H TYR A 60 -11.429 -4.878 -0.094 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.833 -3.921 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.388 -3.921 -2.672 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.228 -2.622 -2.866 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.693 -4.416 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.241 -4.813 -4.897 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.442 -5.763 -4.169 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.986 -6.168 -6.538 1.00 0.00 H new ATOM 0 HH TYR A 60 -8.049 -7.085 -7.081 1.00 0.00 H new ATOM 990 N LYS A 61 -9.643 -2.240 0.724 1.00 0.00 N ATOM 991 CA LYS A 61 -10.003 -1.102 1.570 1.00 0.00 C ATOM 992 C LYS A 61 -8.833 -0.171 1.805 1.00 0.00 C ATOM 993 O LYS A 61 -7.668 -0.492 1.537 1.00 0.00 O ATOM 994 CB LYS A 61 -10.561 -1.628 2.923 1.00 0.00 C ATOM 995 CG LYS A 61 -9.471 -1.885 3.995 1.00 0.00 C ATOM 996 CD LYS A 61 -10.001 -2.200 5.398 1.00 0.00 C ATOM 997 CE LYS A 61 -9.935 -0.933 6.263 1.00 0.00 C ATOM 998 NZ LYS A 61 -10.840 -1.074 7.417 1.00 0.00 N ATOM 0 H LYS A 61 -8.807 -2.739 1.029 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.767 -0.522 1.053 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.278 -0.906 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.106 -2.555 2.744 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.847 -2.715 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.828 -1.007 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.028 -2.560 5.339 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.410 -2.995 5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.914 -0.768 6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.217 -0.062 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.794 -0.215 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.814 -1.211 7.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.552 -1.896 7.986 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.129 1.002 2.338 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.134 2.028 2.642 1.00 0.00 C ATOM 1014 C LEU A 62 -7.856 2.092 4.125 1.00 0.00 C ATOM 1015 O LEU A 62 -8.516 1.416 4.940 1.00 0.00 O ATOM 1016 CB LEU A 62 -8.606 3.413 2.106 1.00 0.00 C ATOM 1017 CG LEU A 62 -9.410 3.433 0.777 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -9.799 4.850 0.328 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -8.602 2.743 -0.333 1.00 0.00 C ATOM 0 H LEU A 62 -10.082 1.277 2.577 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.203 1.761 2.142 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -9.219 3.881 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.725 4.041 1.975 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.338 2.892 0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.358 4.795 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.417 5.318 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -8.898 5.444 0.177 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.172 2.761 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.658 3.269 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.403 1.710 -0.049 1.00 0.00 H new ATOM 1031 N PHE A 63 -6.904 2.911 4.536 1.00 0.00 N ATOM 1032 CA PHE A 63 -6.640 3.142 5.957 1.00 0.00 C ATOM 1033 C PHE A 63 -6.561 4.618 6.270 1.00 0.00 C ATOM 1034 O PHE A 63 -6.616 5.479 5.378 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.294 2.471 6.370 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.242 0.938 6.291 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -6.033 0.151 7.131 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -4.352 0.322 5.404 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -5.924 -1.238 7.094 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.241 -1.065 5.370 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.028 -1.845 6.215 1.00 0.00 C ATOM 0 H PHE A 63 -6.294 3.433 3.906 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.466 2.705 6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.504 2.873 5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.064 2.768 7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.730 0.619 7.810 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.748 0.926 4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.534 -1.845 7.747 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.546 -1.536 4.690 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.944 -2.921 6.189 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.428 4.945 7.543 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.291 6.333 7.983 1.00 0.00 C ATOM 1053 C LYS A 64 -4.967 6.927 7.559 1.00 0.00 C ATOM 1054 O LYS A 64 -4.820 8.164 7.467 1.00 0.00 O ATOM 1055 CB LYS A 64 -6.458 6.410 9.527 1.00 0.00 C ATOM 1056 CG LYS A 64 -5.526 5.463 10.322 1.00 0.00 C ATOM 1057 CD LYS A 64 -4.743 6.131 11.457 1.00 0.00 C ATOM 1058 CE LYS A 64 -4.959 5.347 12.759 1.00 0.00 C ATOM 1059 NZ LYS A 64 -4.289 4.038 12.663 1.00 0.00 N ATOM 0 H LYS A 64 -6.411 4.264 8.302 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.074 6.921 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.274 7.435 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.492 6.178 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.125 4.654 10.741 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.817 5.009 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.682 6.163 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.072 7.162 11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.562 5.909 13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.025 5.209 12.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.334 3.557 13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.765 3.456 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.294 4.176 12.393 1.00 0.00 H new ATOM 1073 N ASN A 65 -3.970 6.101 7.311 1.00 0.00 N ATOM 1074 CA ASN A 65 -2.626 6.584 6.993 1.00 0.00 C ATOM 1075 C ASN A 65 -2.332 6.507 5.514 1.00 0.00 C ATOM 1076 O ASN A 65 -1.152 6.484 5.098 1.00 0.00 O ATOM 1077 CB ASN A 65 -1.586 5.739 7.796 1.00 0.00 C ATOM 1078 CG ASN A 65 -1.668 4.218 7.605 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.264 3.721 6.660 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.092 3.406 8.516 1.00 0.00 N ATOM 0 H ASN A 65 -4.059 5.085 7.322 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.560 7.635 7.276 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.585 6.068 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.708 5.960 8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.591 3.805 9.310 1.00 0.00 H new ATOM 1086 N GLY A 66 -3.349 6.443 4.674 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.157 6.418 3.228 1.00 0.00 C ATOM 1088 C GLY A 66 -2.972 5.026 2.675 1.00 0.00 C ATOM 1089 O GLY A 66 -2.936 4.840 1.436 1.00 0.00 O ATOM 0 H GLY A 66 -4.325 6.407 4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.018 6.882 2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.286 7.021 2.974 1.00 0.00 H new ATOM 1093 N THR A 67 -2.855 4.013 3.512 1.00 0.00 N ATOM 1094 CA THR A 67 -2.540 2.659 3.050 1.00 0.00 C ATOM 1095 C THR A 67 -3.780 1.933 2.589 1.00 0.00 C ATOM 1096 O THR A 67 -4.908 2.229 3.019 1.00 0.00 O ATOM 1097 CB THR A 67 -1.827 1.853 4.189 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.478 2.276 4.333 1.00 0.00 O ATOM 1099 CG2 THR A 67 -1.732 0.324 3.991 1.00 0.00 C ATOM 0 H THR A 67 -2.973 4.095 4.522 1.00 0.00 H new ATOM 0 HA THR A 67 -1.866 2.741 2.197 1.00 0.00 H new ATOM 0 HB THR A 67 -2.463 2.056 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.122 1.527 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.219 -0.122 4.843 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.735 -0.095 3.911 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.175 0.109 3.079 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.610 0.981 1.690 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.700 0.101 1.275 1.00 0.00 C ATOM 1109 C LEU A 68 -4.375 -1.339 1.598 1.00 0.00 C ATOM 1110 O LEU A 68 -3.285 -1.848 1.295 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.026 0.258 -0.240 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.037 -0.743 -0.865 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.382 -0.086 -1.216 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.426 -1.397 -2.112 1.00 0.00 C ATOM 0 H LEU A 68 -2.721 0.792 1.227 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.587 0.396 1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.409 1.266 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.091 0.182 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.242 -1.504 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.049 -0.831 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.833 0.324 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.218 0.716 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.142 -2.097 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.184 -0.627 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.518 -1.932 -1.834 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.326 -2.029 2.198 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.176 -3.451 2.499 1.00 0.00 C ATOM 1128 C LYS A 69 -5.909 -4.295 1.484 1.00 0.00 C ATOM 1129 O LYS A 69 -7.055 -4.001 1.102 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.696 -3.728 3.937 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.381 -5.107 4.101 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.274 -5.715 5.502 1.00 0.00 C ATOM 1133 CE LYS A 69 -7.440 -5.212 6.363 1.00 0.00 C ATOM 1134 NZ LYS A 69 -7.755 -6.215 7.396 1.00 0.00 N ATOM 0 H LYS A 69 -6.218 -1.630 2.490 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.121 -3.721 2.445 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.860 -3.663 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.404 -2.946 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.435 -5.006 3.844 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.943 -5.802 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.295 -6.803 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.324 -5.439 5.959 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.178 -4.263 6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.315 -5.030 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.545 -5.875 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.022 -7.111 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.920 -6.368 7.998 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.265 -5.344 1.006 1.00 0.00 N ATOM 1149 CA ILE A 70 -5.914 -6.313 0.123 1.00 0.00 C ATOM 1150 C ILE A 70 -5.918 -7.689 0.745 1.00 0.00 C ATOM 1151 O ILE A 70 -4.885 -8.370 0.836 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.269 -6.326 -1.324 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -4.966 -4.913 -1.920 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.131 -7.120 -2.356 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.566 -4.735 -2.546 1.00 0.00 C ATOM 0 H ILE A 70 -4.288 -5.553 1.212 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.950 -5.999 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.315 -6.829 -1.164 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.714 -4.692 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.087 -4.172 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.644 -7.097 -3.331 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.234 -8.154 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.118 -6.664 -2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.465 -3.719 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.803 -4.916 -1.789 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.441 -5.444 -3.364 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.087 -8.136 1.166 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.217 -9.422 1.847 1.00 0.00 C ATOM 1169 C LYS A 71 -7.383 -10.550 0.854 1.00 0.00 C ATOM 1170 O LYS A 71 -8.055 -10.416 -0.179 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.419 -9.368 2.830 1.00 0.00 C ATOM 1172 CG LYS A 71 -7.993 -9.276 4.317 1.00 0.00 C ATOM 1173 CD LYS A 71 -9.033 -9.780 5.321 1.00 0.00 C ATOM 1174 CE LYS A 71 -8.515 -11.063 5.985 1.00 0.00 C ATOM 1175 NZ LYS A 71 -9.048 -11.155 7.356 1.00 0.00 N ATOM 0 H LYS A 71 -7.965 -7.630 1.050 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.304 -9.616 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.042 -8.508 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.034 -10.257 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.074 -9.846 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.760 -8.237 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.226 -9.018 6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.979 -9.974 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.820 -11.934 5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.425 -11.060 6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.698 -12.024 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.736 -10.329 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.087 -11.176 7.324 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.792 -11.687 1.173 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.780 -12.837 0.273 1.00 0.00 C ATOM 1191 C HIS A 72 -6.090 -12.503 -1.030 1.00 0.00 C ATOM 1192 O HIS A 72 -6.625 -11.837 -1.927 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.252 -13.208 0.024 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.418 -14.646 -0.372 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -9.202 -15.116 -1.422 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -7.782 -15.685 0.293 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.973 -16.438 -1.305 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.142 -16.860 -0.314 1.00 0.00 N ATOM 0 H HIS A 72 -6.308 -11.844 2.057 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.229 -13.668 0.714 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.831 -13.013 0.927 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.658 -12.568 -0.760 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.120 -15.585 1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -9.436 -17.143 -1.979 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.858 -17.812 -0.081 1.00 0.00 H new ATOM 1207 N LEU A 73 -4.868 -13.000 -1.168 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.001 -12.658 -2.291 1.00 0.00 C ATOM 1209 C LEU A 73 -3.249 -13.859 -2.819 1.00 0.00 C ATOM 1210 O LEU A 73 -2.097 -14.131 -2.452 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.007 -11.532 -1.886 1.00 0.00 C ATOM 1212 CG LEU A 73 -2.116 -10.886 -2.981 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -1.561 -11.887 -4.008 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -2.892 -9.777 -3.706 1.00 0.00 C ATOM 0 H LEU A 73 -4.448 -13.652 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.642 -12.298 -3.096 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.585 -10.735 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.346 -11.937 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.253 -10.472 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.949 -11.357 -4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.952 -12.633 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.388 -12.382 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.258 -9.330 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.781 -10.201 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.188 -9.012 -2.989 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.908 -14.617 -3.676 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.265 -15.691 -4.427 1.00 0.00 C ATOM 1228 C LYS A 74 -2.886 -15.209 -5.812 1.00 0.00 C ATOM 1229 O LYS A 74 -2.818 -13.994 -6.073 1.00 0.00 O ATOM 1230 CB LYS A 74 -4.196 -16.933 -4.496 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.575 -16.724 -3.821 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.372 -18.008 -3.572 1.00 0.00 C ATOM 1233 CE LYS A 74 -6.638 -18.707 -4.911 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.495 -20.164 -4.740 1.00 0.00 N ATOM 0 H LYS A 74 -4.903 -14.510 -3.874 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.351 -15.986 -3.912 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.351 -17.201 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.695 -17.777 -4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.424 -16.217 -2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -6.172 -16.059 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.818 -18.670 -2.907 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.315 -17.774 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.641 -18.468 -5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.939 -18.348 -5.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -6.675 -20.639 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.530 -20.383 -4.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.179 -20.499 -4.032 1.00 0.00 H new ATOM 1248 N THR A 75 -2.606 -16.128 -6.716 1.00 0.00 N ATOM 1249 CA THR A 75 -2.267 -15.763 -8.095 1.00 0.00 C ATOM 1250 C THR A 75 -3.359 -14.950 -8.761 1.00 0.00 C ATOM 1251 O THR A 75 -3.118 -14.129 -9.657 1.00 0.00 O ATOM 1252 CB THR A 75 -1.954 -17.045 -8.936 1.00 0.00 C ATOM 1253 OG1 THR A 75 -1.024 -17.875 -8.253 1.00 0.00 O ATOM 1254 CG2 THR A 75 -1.319 -16.815 -10.325 1.00 0.00 C ATOM 0 H THR A 75 -2.604 -17.131 -6.530 1.00 0.00 H new ATOM 0 HA THR A 75 -1.378 -15.134 -8.052 1.00 0.00 H new ATOM 0 HB THR A 75 -2.943 -17.484 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.841 -18.673 -8.792 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.149 -17.776 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.990 -16.213 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.369 -16.294 -10.209 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.581 -15.172 -8.313 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.757 -14.537 -8.900 1.00 0.00 C ATOM 1264 C ASP A 76 -6.018 -13.184 -8.281 1.00 0.00 C ATOM 1265 O ASP A 76 -6.371 -12.212 -8.974 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.988 -15.473 -8.779 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.860 -15.627 -10.034 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.748 -14.600 -10.191 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -7.748 -16.562 -10.813 1.00 0.00 O ATOM 0 H ASP A 76 -4.791 -15.796 -7.534 1.00 0.00 H new ATOM 0 HA ASP A 76 -5.566 -14.367 -9.960 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.637 -16.462 -8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.618 -15.105 -7.969 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.875 -13.082 -6.972 1.00 0.00 N ATOM 1275 CA ASP A 77 -6.049 -11.805 -6.280 1.00 0.00 C ATOM 1276 C ASP A 77 -4.824 -10.926 -6.394 1.00 0.00 C ATOM 1277 O ASP A 77 -4.822 -9.783 -5.873 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.443 -12.042 -4.797 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.939 -12.238 -4.507 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.503 -13.316 -4.618 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -8.552 -11.089 -4.092 1.00 0.00 O ATOM 0 H ASP A 77 -5.639 -13.864 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.862 -11.270 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.908 -12.921 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.090 -11.193 -4.211 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.775 -11.366 -7.060 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.614 -10.511 -7.323 1.00 0.00 C ATOM 1288 C GLN A 78 -2.850 -9.649 -8.539 1.00 0.00 C ATOM 1289 O GLN A 78 -3.233 -10.125 -9.618 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.362 -11.396 -7.508 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.133 -10.716 -8.198 1.00 0.00 C ATOM 1292 CD GLN A 78 0.268 -11.148 -9.613 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.277 -10.351 -10.538 1.00 0.00 O ATOM 1294 NE2 GLN A 78 0.633 -12.384 -9.841 1.00 0.00 N ATOM 0 H GLN A 78 -3.694 -12.312 -7.433 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.457 -9.845 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.049 -11.756 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.644 -12.271 -8.094 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -0.325 -9.643 -8.225 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.731 -10.869 -7.552 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.632 -13.064 -9.081 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.918 -12.667 -10.779 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.623 -8.358 -8.384 1.00 0.00 N ATOM 1304 CA ASP A 79 -2.935 -7.387 -9.428 1.00 0.00 C ATOM 1305 C ASP A 79 -1.994 -6.206 -9.375 1.00 0.00 C ATOM 1306 O ASP A 79 -1.088 -6.115 -8.534 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.416 -6.934 -9.318 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.495 -7.996 -9.571 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.329 -8.647 -10.762 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.413 -8.213 -8.793 1.00 0.00 O ATOM 0 H ASP A 79 -2.221 -7.951 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.797 -7.868 -10.396 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.571 -6.526 -8.319 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.573 -6.118 -10.024 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.188 -5.288 -10.303 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.482 -4.009 -10.297 1.00 0.00 C ATOM 1317 C ILE A 80 -2.410 -2.920 -9.798 1.00 0.00 C ATOM 1318 O ILE A 80 -3.624 -2.935 -10.064 1.00 0.00 O ATOM 1319 CB ILE A 80 -0.842 -3.711 -11.716 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.019 -4.899 -12.313 1.00 0.00 C ATOM 1321 CG2 ILE A 80 0.064 -2.442 -11.729 1.00 0.00 C ATOM 1322 CD1 ILE A 80 -0.120 -5.092 -13.840 1.00 0.00 C ATOM 0 H ILE A 80 -2.836 -5.402 -11.082 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.641 -4.047 -9.604 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.717 -3.544 -12.344 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.030 -4.755 -12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.344 -5.820 -11.828 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.470 -2.295 -12.730 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.526 -1.571 -11.446 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.882 -2.572 -11.021 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.491 -5.943 -14.140 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.159 -5.275 -14.116 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.236 -4.194 -14.345 1.00 0.00 H new ATOM 1334 N TYR A 81 -1.867 -1.947 -9.093 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.657 -0.936 -8.396 1.00 0.00 C ATOM 1336 C TYR A 81 -2.043 0.437 -8.535 1.00 0.00 C ATOM 1337 O TYR A 81 -0.948 0.629 -9.079 1.00 0.00 O ATOM 1338 CB TYR A 81 -2.746 -1.285 -6.876 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.237 -2.700 -6.554 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.566 -3.815 -7.064 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.353 -2.880 -5.736 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -2.947 -5.096 -6.671 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -4.731 -4.161 -5.342 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.019 -5.266 -5.800 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.377 -6.524 -5.405 1.00 0.00 O ATOM 0 H TYR A 81 -0.860 -1.830 -8.983 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.650 -0.928 -8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.760 -1.151 -6.432 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.412 -0.569 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.753 -3.684 -7.762 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.925 -2.024 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.411 -5.957 -7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.575 -4.297 -4.682 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.303 -6.700 -5.673 1.00 0.00 H new ATOM 1355 N LYS A 82 -2.777 1.427 -8.056 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.287 2.799 -7.978 1.00 0.00 C ATOM 1357 C LYS A 82 -3.037 3.572 -6.920 1.00 0.00 C ATOM 1358 O LYS A 82 -4.203 3.286 -6.605 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.429 3.483 -9.366 1.00 0.00 C ATOM 1360 CG LYS A 82 -2.035 4.982 -9.355 1.00 0.00 C ATOM 1361 CD LYS A 82 -3.095 5.934 -9.915 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.406 7.010 -10.766 1.00 0.00 C ATOM 1363 NZ LYS A 82 -1.972 6.419 -12.043 1.00 0.00 N ATOM 0 H LYS A 82 -3.729 1.306 -7.710 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.234 2.786 -7.698 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.805 2.956 -10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.460 3.388 -9.706 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.810 5.275 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.117 5.105 -9.930 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.815 5.382 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.651 6.398 -9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.091 7.838 -10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.548 7.418 -10.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.855 7.171 -12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.066 5.927 -11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.688 5.741 -12.373 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.377 4.552 -6.334 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.942 5.302 -5.217 1.00 0.00 C ATOM 1379 C VAL A 83 -2.958 6.783 -5.516 1.00 0.00 C ATOM 1380 O VAL A 83 -1.923 7.415 -5.771 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.120 5.003 -3.901 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.592 5.277 -3.975 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.616 5.776 -2.655 1.00 0.00 C ATOM 0 H VAL A 83 -1.443 4.853 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.974 4.983 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.297 3.931 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.132 5.036 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.149 4.658 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.422 6.329 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.999 5.514 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.545 6.848 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.653 5.511 -2.451 1.00 0.00 H new ATOM 1393 N SER A 84 -4.147 7.354 -5.509 1.00 0.00 N ATOM 1394 CA SER A 84 -4.333 8.792 -5.683 1.00 0.00 C ATOM 1395 C SER A 84 -5.219 9.345 -4.590 1.00 0.00 C ATOM 1396 O SER A 84 -6.408 9.010 -4.483 1.00 0.00 O ATOM 1397 CB SER A 84 -4.887 9.109 -7.094 1.00 0.00 C ATOM 1398 OG SER A 84 -5.777 8.098 -7.582 1.00 0.00 O ATOM 0 H SER A 84 -5.017 6.837 -5.383 1.00 0.00 H new ATOM 0 HA SER A 84 -3.364 9.284 -5.601 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.410 10.065 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.055 9.220 -7.789 1.00 0.00 H new ATOM 0 HG SER A 84 -6.098 8.348 -8.473 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.643 10.181 -3.748 1.00 0.00 N ATOM 1405 CA ILE A 85 -5.340 10.677 -2.559 1.00 0.00 C ATOM 1406 C ILE A 85 -5.361 12.188 -2.567 1.00 0.00 C ATOM 1407 O ILE A 85 -4.287 12.833 -2.674 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.722 10.057 -1.240 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -4.101 8.627 -1.421 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.744 10.013 -0.060 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -3.468 8.005 -0.160 1.00 0.00 C ATOM 0 H ILE A 85 -3.693 10.536 -3.858 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.379 10.348 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.910 10.742 -0.999 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.881 7.956 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.339 8.678 -2.199 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.267 9.579 0.819 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.077 11.025 0.171 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.602 9.405 -0.345 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.071 7.019 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.660 8.645 0.195 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.225 7.911 0.619 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.511 12.820 -2.449 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.635 14.258 -2.690 1.00 0.00 C ATOM 1425 C TYR A 86 -7.156 15.003 -1.483 1.00 0.00 C ATOM 1426 O TYR A 86 -7.700 14.436 -0.526 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.616 14.514 -3.876 1.00 0.00 C ATOM 1428 CG TYR A 86 -7.609 13.469 -4.998 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -8.196 12.216 -4.807 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -7.020 13.774 -6.229 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -8.274 11.313 -5.865 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -7.095 12.869 -7.284 1.00 0.00 C ATOM 1433 CZ TYR A 86 -7.724 11.640 -7.101 1.00 0.00 C ATOM 1434 OH TYR A 86 -7.799 10.752 -8.136 1.00 0.00 O ATOM 0 H TYR A 86 -7.384 12.363 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.634 14.625 -2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.628 14.580 -3.476 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.381 15.485 -4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.590 11.947 -3.838 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -6.505 14.714 -6.362 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.761 10.359 -5.726 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.666 13.120 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.367 11.135 -8.928 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.968 16.314 -1.506 1.00 0.00 N ATOM 1445 CA ASP A 87 -7.402 17.196 -0.428 1.00 0.00 C ATOM 1446 C ASP A 87 -8.830 17.646 -0.638 1.00 0.00 C ATOM 1447 O ASP A 87 -9.547 17.177 -1.533 1.00 0.00 O ATOM 1448 CB ASP A 87 -6.426 18.397 -0.297 1.00 0.00 C ATOM 1449 CG ASP A 87 -6.024 19.106 -1.599 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.632 18.968 -2.650 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.925 19.906 -1.447 1.00 0.00 O ATOM 0 H ASP A 87 -6.508 16.800 -2.276 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.380 16.644 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.881 19.134 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.518 18.045 0.193 1.00 0.00 H new ATOM 1456 N THR A 88 -9.276 18.554 0.213 1.00 0.00 N ATOM 1457 CA THR A 88 -10.628 19.100 0.144 1.00 0.00 C ATOM 1458 C THR A 88 -10.936 19.700 -1.210 1.00 0.00 C ATOM 1459 O THR A 88 -12.116 19.760 -1.623 1.00 0.00 O ATOM 1460 CB THR A 88 -10.847 20.168 1.271 1.00 0.00 C ATOM 1461 OG1 THR A 88 -10.644 21.478 0.756 1.00 0.00 O ATOM 1462 CG2 THR A 88 -9.912 20.089 2.499 1.00 0.00 C ATOM 0 H THR A 88 -8.714 18.936 0.973 1.00 0.00 H new ATOM 0 HA THR A 88 -11.316 18.269 0.296 1.00 0.00 H new ATOM 0 HB THR A 88 -11.864 19.952 1.599 1.00 0.00 H new ATOM 0 HG1 THR A 88 -10.785 22.135 1.469 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.168 20.881 3.202 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.030 19.120 2.985 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.878 20.209 2.177 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.938 20.162 -1.938 1.00 0.00 N ATOM 1471 CA LYS A 89 -10.169 20.895 -3.185 1.00 0.00 C ATOM 1472 C LYS A 89 -10.074 20.010 -4.407 1.00 0.00 C ATOM 1473 O LYS A 89 -9.814 20.498 -5.529 1.00 0.00 O ATOM 1474 CB LYS A 89 -9.147 22.063 -3.283 1.00 0.00 C ATOM 1475 CG LYS A 89 -9.105 22.968 -2.026 1.00 0.00 C ATOM 1476 CD LYS A 89 -8.101 24.123 -2.102 1.00 0.00 C ATOM 1477 CE LYS A 89 -8.491 25.202 -1.083 1.00 0.00 C ATOM 1478 NZ LYS A 89 -7.881 24.888 0.221 1.00 0.00 N ATOM 0 H LYS A 89 -8.954 20.047 -1.694 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.187 21.283 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.153 21.650 -3.454 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.392 22.675 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.100 23.380 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.865 22.352 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.094 23.759 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.089 24.544 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.156 26.181 -1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.576 25.252 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.145 25.619 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.221 23.962 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.846 24.862 0.123 1.00 0.00 H new ATOM 1492 N GLY A 90 -10.295 18.718 -4.261 1.00 0.00 N ATOM 1493 CA GLY A 90 -10.270 17.796 -5.393 1.00 0.00 C ATOM 1494 C GLY A 90 -8.899 17.699 -6.018 1.00 0.00 C ATOM 1495 O GLY A 90 -8.739 17.163 -7.134 1.00 0.00 O ATOM 0 H GLY A 90 -10.496 18.275 -3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.587 16.807 -5.061 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.988 18.126 -6.144 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.881 18.219 -5.359 1.00 0.00 N ATOM 1500 CA LYS A 91 -6.540 18.288 -5.937 1.00 0.00 C ATOM 1501 C LYS A 91 -5.731 17.057 -5.607 1.00 0.00 C ATOM 1502 O LYS A 91 -5.489 16.756 -4.419 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.823 19.564 -5.410 1.00 0.00 C ATOM 1504 CG LYS A 91 -5.774 20.730 -6.427 1.00 0.00 C ATOM 1505 CD LYS A 91 -6.904 20.740 -7.462 1.00 0.00 C ATOM 1506 CE LYS A 91 -6.319 20.459 -8.853 1.00 0.00 C ATOM 1507 NZ LYS A 91 -7.407 20.099 -9.779 1.00 0.00 N ATOM 0 H LYS A 91 -7.952 18.604 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.631 18.336 -7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.330 19.905 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.804 19.303 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.797 21.671 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.821 20.692 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.651 19.987 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -7.410 21.705 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.789 21.338 -9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.592 19.649 -8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.012 19.908 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.894 19.249 -9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.085 20.885 -9.840 1.00 0.00 H new ATOM 1521 N ASN A 92 -5.267 16.333 -6.607 1.00 0.00 N ATOM 1522 CA ASN A 92 -4.358 15.209 -6.376 1.00 0.00 C ATOM 1523 C ASN A 92 -3.060 15.694 -5.771 1.00 0.00 C ATOM 1524 O ASN A 92 -2.101 16.051 -6.471 1.00 0.00 O ATOM 1525 CB ASN A 92 -4.097 14.447 -7.708 1.00 0.00 C ATOM 1526 CG ASN A 92 -3.520 13.030 -7.585 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -2.813 12.695 -6.647 1.00 0.00 O ATOM 1528 ND2 ASN A 92 -3.816 12.149 -8.502 1.00 0.00 N ATOM 0 H ASN A 92 -5.499 16.496 -7.587 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.824 14.520 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.037 14.386 -8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.413 15.042 -8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.458 11.197 -8.429 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.405 12.413 -9.292 1.00 0.00 H new ATOM 1535 N VAL A 93 -3.013 15.713 -4.452 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.882 16.282 -3.715 1.00 0.00 C ATOM 1537 C VAL A 93 -0.704 15.336 -3.629 1.00 0.00 C ATOM 1538 O VAL A 93 0.449 15.743 -3.424 1.00 0.00 O ATOM 1539 CB VAL A 93 -2.361 16.699 -2.267 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.689 17.503 -2.187 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.543 15.505 -1.299 1.00 0.00 C ATOM 0 H VAL A 93 -3.751 15.338 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.536 17.158 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.532 17.341 -1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.914 17.731 -1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.586 18.432 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.499 16.910 -2.612 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.873 15.872 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.290 14.821 -1.701 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.594 14.980 -1.186 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.983 14.056 -3.783 1.00 0.00 N ATOM 1552 CA LEU A 94 0.043 13.022 -3.685 1.00 0.00 C ATOM 1553 C LEU A 94 -0.461 11.714 -4.250 1.00 0.00 C ATOM 1554 O LEU A 94 -1.632 11.338 -4.099 1.00 0.00 O ATOM 1555 CB LEU A 94 0.518 12.874 -2.209 1.00 0.00 C ATOM 1556 CG LEU A 94 1.166 11.537 -1.756 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.667 11.545 -2.079 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.962 11.261 -0.256 1.00 0.00 C ATOM 0 H LEU A 94 -1.919 13.700 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 94 0.905 13.319 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.236 13.670 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.343 13.056 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 94 0.668 10.738 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.113 10.604 -1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.807 11.665 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.147 12.372 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.434 10.315 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.411 12.065 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.105 11.207 -0.038 1.00 0.00 H new ATOM 1570 N GLU A 95 0.421 11.008 -4.936 1.00 0.00 N ATOM 1571 CA GLU A 95 0.054 9.802 -5.670 1.00 0.00 C ATOM 1572 C GLU A 95 1.222 8.847 -5.765 1.00 0.00 C ATOM 1573 O GLU A 95 2.355 9.151 -5.363 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.441 10.219 -7.084 1.00 0.00 C ATOM 1575 CG GLU A 95 0.229 11.473 -7.737 1.00 0.00 C ATOM 1576 CD GLU A 95 0.813 11.335 -9.145 1.00 0.00 C ATOM 1577 OE1 GLU A 95 1.709 10.549 -9.420 1.00 0.00 O ATOM 1578 OE2 GLU A 95 0.243 12.169 -10.058 1.00 0.00 O ATOM 0 H GLU A 95 1.410 11.251 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.743 9.279 -5.141 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.298 9.372 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.514 10.402 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.513 12.271 -7.762 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.030 11.804 -7.076 1.00 0.00 H new ATOM 1585 N LYS A 96 0.966 7.679 -6.325 1.00 0.00 N ATOM 1586 CA LYS A 96 2.010 6.699 -6.617 1.00 0.00 C ATOM 1587 C LYS A 96 1.425 5.470 -7.275 1.00 0.00 C ATOM 1588 O LYS A 96 0.198 5.287 -7.333 1.00 0.00 O ATOM 1589 CB LYS A 96 2.760 6.331 -5.307 1.00 0.00 C ATOM 1590 CG LYS A 96 4.303 6.343 -5.450 1.00 0.00 C ATOM 1591 CD LYS A 96 5.062 6.837 -4.214 1.00 0.00 C ATOM 1592 CE LYS A 96 5.754 5.649 -3.533 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.747 6.148 -2.565 1.00 0.00 N ATOM 0 H LYS A 96 0.029 7.377 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 96 2.722 7.136 -7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.471 7.032 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.441 5.341 -4.982 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.639 5.333 -5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.570 6.974 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.800 7.586 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.374 7.318 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.017 5.027 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.241 5.022 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 7.574 5.518 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.044 7.107 -2.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.324 6.172 -1.615 1.00 0.00 H new ATOM 1607 N ILE A 97 2.279 4.614 -7.806 1.00 0.00 N ATOM 1608 CA ILE A 97 1.834 3.451 -8.572 1.00 0.00 C ATOM 1609 C ILE A 97 2.332 2.169 -7.950 1.00 0.00 C ATOM 1610 O ILE A 97 3.371 2.136 -7.267 1.00 0.00 O ATOM 1611 CB ILE A 97 2.257 3.571 -10.093 1.00 0.00 C ATOM 1612 CG1 ILE A 97 1.914 4.942 -10.760 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.654 2.438 -10.980 1.00 0.00 C ATOM 1614 CD1 ILE A 97 2.048 4.996 -12.295 1.00 0.00 C ATOM 0 H ILE A 97 3.292 4.698 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 97 0.745 3.424 -8.542 1.00 0.00 H new ATOM 0 HB ILE A 97 3.342 3.477 -10.050 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.891 5.207 -10.494 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.563 5.705 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.978 2.572 -12.012 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.996 1.469 -10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.566 2.480 -10.933 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.786 5.993 -12.648 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.076 4.769 -12.579 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.378 4.264 -12.745 1.00 0.00 H new ATOM 1626 N PHE A 98 1.597 1.090 -8.143 1.00 0.00 N ATOM 1627 CA PHE A 98 1.919 -0.183 -7.495 1.00 0.00 C ATOM 1628 C PHE A 98 1.813 -1.343 -8.456 1.00 0.00 C ATOM 1629 O PHE A 98 1.274 -1.225 -9.566 1.00 0.00 O ATOM 1630 CB PHE A 98 0.932 -0.415 -6.308 1.00 0.00 C ATOM 1631 CG PHE A 98 1.146 0.475 -5.073 1.00 0.00 C ATOM 1632 CD1 PHE A 98 0.984 1.861 -5.193 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.496 -0.074 -3.838 1.00 0.00 C ATOM 1634 CE1 PHE A 98 1.185 2.688 -4.093 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.690 0.756 -2.736 1.00 0.00 C ATOM 1636 CZ PHE A 98 1.535 2.135 -2.864 1.00 0.00 C ATOM 0 H PHE A 98 0.772 1.062 -8.742 1.00 0.00 H new ATOM 0 HA PHE A 98 2.948 -0.130 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.084 -0.262 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.006 -1.457 -5.998 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.702 2.289 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.616 -1.142 -3.737 1.00 0.00 H new ATOM 0 HE1 PHE A 98 1.070 3.757 -4.192 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.961 0.330 -1.781 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.687 2.776 -2.008 1.00 0.00 H new ATOM 1646 N ASP A 99 2.347 -2.483 -8.057 1.00 0.00 N ATOM 1647 CA ASP A 99 2.208 -3.726 -8.810 1.00 0.00 C ATOM 1648 C ASP A 99 2.220 -4.921 -7.886 1.00 0.00 C ATOM 1649 O ASP A 99 3.278 -5.535 -7.642 1.00 0.00 O ATOM 1650 CB ASP A 99 3.312 -3.837 -9.896 1.00 0.00 C ATOM 1651 CG ASP A 99 3.446 -2.668 -10.882 1.00 0.00 C ATOM 1652 OD1 ASP A 99 3.878 -1.570 -10.562 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.058 -2.998 -12.151 1.00 0.00 O ATOM 0 H ASP A 99 2.892 -2.578 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 99 1.243 -3.713 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.270 -3.965 -9.392 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.130 -4.745 -10.471 1.00 0.00 H new ATOM 1658 N LEU A 100 1.069 -5.303 -7.367 1.00 0.00 N ATOM 1659 CA LEU A 100 0.985 -6.419 -6.424 1.00 0.00 C ATOM 1660 C LEU A 100 1.402 -7.711 -7.084 1.00 0.00 C ATOM 1661 O LEU A 100 0.944 -8.055 -8.187 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.450 -6.529 -5.837 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.637 -7.256 -4.478 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.207 -8.724 -4.600 1.00 0.00 C ATOM 1665 CD2 LEU A 100 0.137 -6.582 -3.333 1.00 0.00 C ATOM 0 H LEU A 100 0.174 -4.861 -7.578 1.00 0.00 H new ATOM 0 HA LEU A 100 1.674 -6.227 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.843 -5.518 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.072 -7.037 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.697 -7.197 -4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.343 -9.224 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.815 -9.220 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.843 -8.773 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.030 -7.132 -2.407 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.202 -6.579 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.211 -5.556 -3.213 1.00 0.00 H new ATOM 1677 N LYS A 101 2.288 -8.450 -6.440 1.00 0.00 N ATOM 1678 CA LYS A 101 2.868 -9.648 -7.039 1.00 0.00 C ATOM 1679 C LYS A 101 2.766 -10.850 -6.124 1.00 0.00 C ATOM 1680 O LYS A 101 2.398 -10.772 -4.944 1.00 0.00 O ATOM 1681 CB LYS A 101 4.361 -9.388 -7.398 1.00 0.00 C ATOM 1682 CG LYS A 101 4.554 -8.396 -8.570 1.00 0.00 C ATOM 1683 CD LYS A 101 5.682 -8.759 -9.541 1.00 0.00 C ATOM 1684 CE LYS A 101 5.202 -8.532 -10.981 1.00 0.00 C ATOM 1685 NZ LYS A 101 6.268 -8.923 -11.920 1.00 0.00 N ATOM 0 H LYS A 101 2.625 -8.244 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 101 2.299 -9.871 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.875 -9.002 -6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.835 -10.336 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.620 -8.330 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.751 -7.405 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.563 -8.149 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.976 -9.799 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.302 -9.116 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.939 -7.484 -11.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.944 -8.770 -12.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 7.116 -8.347 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.498 -9.928 -11.785 1.00 0.00 H new ATOM 1699 N ILE A 102 3.077 -12.005 -6.685 1.00 0.00 N ATOM 1700 CA ILE A 102 3.227 -13.245 -5.931 1.00 0.00 C ATOM 1701 C ILE A 102 4.613 -13.811 -6.148 1.00 0.00 C ATOM 1702 O ILE A 102 5.219 -13.643 -7.220 1.00 0.00 O ATOM 1703 CB ILE A 102 2.106 -14.308 -6.273 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.640 -13.802 -6.087 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.267 -15.630 -5.458 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.053 -14.223 -4.774 1.00 0.00 C ATOM 0 H ILE A 102 3.235 -12.114 -7.687 1.00 0.00 H new ATOM 0 HA ILE A 102 3.101 -13.009 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 102 2.263 -14.493 -7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.641 -12.713 -6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.042 -14.163 -6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.473 -16.325 -5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.235 -16.079 -5.681 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.206 -15.410 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.064 -13.818 -4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.097 -15.311 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.512 -13.839 -3.925 1.00 0.00 H new ATOM 1718 N GLN A 103 5.131 -14.515 -5.161 1.00 0.00 N ATOM 1719 CA GLN A 103 6.518 -14.974 -5.200 1.00 0.00 C ATOM 1720 C GLN A 103 6.660 -16.327 -4.545 1.00 0.00 C ATOM 1721 O GLN A 103 6.016 -16.638 -3.532 1.00 0.00 O ATOM 1722 CB GLN A 103 7.412 -13.923 -4.505 1.00 0.00 C ATOM 1723 CG GLN A 103 8.813 -14.422 -4.020 1.00 0.00 C ATOM 1724 CD GLN A 103 9.908 -13.393 -3.711 1.00 0.00 C ATOM 1725 OE1 GLN A 103 10.778 -13.133 -4.527 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.936 -12.798 -2.546 1.00 0.00 N ATOM 0 H GLN A 103 4.619 -14.785 -4.321 1.00 0.00 H new ATOM 0 HA GLN A 103 6.833 -15.086 -6.237 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.564 -13.092 -5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.872 -13.529 -3.644 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.656 -15.015 -3.119 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.203 -15.097 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 103 9.218 -13.003 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.676 -12.130 -2.332 1.00 0.00 H new ATOM 1735 N GLU A 104 7.507 -17.161 -5.119 1.00 0.00 N ATOM 1736 CA GLU A 104 7.662 -18.544 -4.677 1.00 0.00 C ATOM 1737 C GLU A 104 8.951 -19.134 -5.205 1.00 0.00 C ATOM 1738 O GLU A 104 9.011 -19.765 -6.269 1.00 0.00 O ATOM 1739 CB GLU A 104 6.432 -19.366 -5.154 1.00 0.00 C ATOM 1740 CG GLU A 104 5.227 -18.578 -5.764 1.00 0.00 C ATOM 1741 CD GLU A 104 4.291 -19.310 -6.730 1.00 0.00 C ATOM 1742 OE1 GLU A 104 4.127 -20.522 -6.708 1.00 0.00 O ATOM 1743 OE2 GLU A 104 3.661 -18.486 -7.612 1.00 0.00 O ATOM 0 H GLU A 104 8.107 -16.905 -5.903 1.00 0.00 H new ATOM 0 HA GLU A 104 7.714 -18.576 -3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.776 -20.083 -5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 104 6.062 -19.941 -4.305 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.623 -18.203 -4.938 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.629 -17.709 -6.286 1.00 0.00 H new ATOM 1750 N ARG A 105 10.020 -18.908 -4.459 1.00 0.00 N ATOM 1751 CA ARG A 105 11.353 -19.371 -4.833 1.00 0.00 C ATOM 1752 C ARG A 105 12.279 -19.374 -3.640 1.00 0.00 C ATOM 1753 O ARG A 105 13.210 -20.228 -3.512 1.00 0.00 O ATOM 1754 CB ARG A 105 11.898 -18.466 -5.971 1.00 0.00 C ATOM 1755 CG ARG A 105 12.419 -17.079 -5.510 1.00 0.00 C ATOM 1756 CD ARG A 105 12.929 -16.224 -6.677 1.00 0.00 C ATOM 1757 NE ARG A 105 13.104 -17.105 -7.860 1.00 0.00 N ATOM 1758 CZ ARG A 105 14.147 -17.890 -8.089 1.00 0.00 C ATOM 1759 NH1 ARG A 105 15.206 -17.942 -7.336 1.00 0.00 N ATOM 1760 NH2 ARG A 105 14.103 -18.649 -9.126 1.00 0.00 N ATOM 1761 OXT ARG A 105 12.055 -18.485 -2.760 1.00 0.00 O ATOM 0 H ARG A 105 9.992 -18.398 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 105 11.295 -20.399 -5.192 1.00 0.00 H new ATOM 0 HB2 ARG A 105 12.707 -18.992 -6.478 1.00 0.00 H new ATOM 0 HB3 ARG A 105 11.107 -18.315 -6.706 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.618 -16.546 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.223 -17.219 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.222 -15.425 -6.900 1.00 0.00 H new ATOM 0 HD3 ARG A 105 13.874 -15.749 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 105 12.358 -17.106 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 105 15.271 -17.353 -6.506 1.00 0.00 H new ATOM 0 HH12 ARG A 105 15.972 -18.572 -7.575 1.00 0.00 H new ATOM 0 HH21 ARG A 105 13.286 -18.632 -9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 105 14.885 -19.268 -9.338 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.234 1.967 8.393 1.00 0.00 C HETATM 1777 C2 NAG A 106 0.089 1.259 8.797 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.130 -0.280 8.911 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.363 -0.658 9.795 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.613 0.125 9.286 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.880 -0.072 10.139 1.00 0.00 C HETATM 1782 C7 NAG A 106 2.399 1.928 8.149 1.00 0.00 C HETATM 1783 C8 NAG A 106 3.362 2.157 6.984 1.00 0.00 C HETATM 1784 N2 NAG A 106 1.162 1.542 7.804 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.050 -0.864 9.457 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.646 -2.090 9.763 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.317 1.551 9.271 1.00 0.00 O HETATM 1788 O6 NAG A 106 -4.528 1.168 10.384 1.00 0.00 O HETATM 1789 O7 NAG A 106 2.774 2.095 9.312 1.00 0.00 O HETATM 0 HO6 NAG A 106 -3.993 1.897 10.006 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.928 -1.833 9.537 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.945 1.437 6.813 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.474 1.233 6.417 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.966 2.936 6.333 1.00 0.00 H new HETATM 0 H81 NAG A 106 4.333 2.466 7.370 1.00 0.00 H new HETATM 0 H62 NAG A 106 -4.565 -0.749 9.628 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.615 -0.541 11.087 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.820 -0.274 8.293 1.00 0.00 H new HETATM 0 H4 NAG A 106 -1.130 -0.390 10.826 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.335 -0.664 7.912 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.397 1.648 9.768 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.707 -2.799 11.033 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.979 -3.687 11.135 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.893 -4.548 12.434 1.00 0.00 C HETATM 1806 C4 NAG A 107 -1.569 -5.356 12.539 1.00 0.00 C HETATM 1807 C5 NAG A 107 -0.338 -4.426 12.314 1.00 0.00 C HETATM 1808 C6 NAG A 107 0.999 -5.177 12.161 1.00 0.00 C HETATM 1809 C7 NAG A 107 -5.185 -2.983 10.227 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.410 -2.091 10.427 1.00 0.00 C HETATM 1811 N2 NAG A 107 -4.213 -2.854 11.142 1.00 0.00 N HETATM 1812 O3 NAG A 107 -3.976 -5.467 12.462 1.00 0.00 O HETATM 1813 O4 NAG A 107 -1.484 -5.982 13.856 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.529 -3.649 11.101 1.00 0.00 O HETATM 1815 O6 NAG A 107 2.100 -4.309 12.389 1.00 0.00 O HETATM 1816 O7 NAG A 107 -5.140 -3.764 9.272 1.00 0.00 O HETATM 0 HO6 NAG A 107 2.937 -4.809 12.288 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -4.118 -5.777 13.381 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.324 -2.154 11.875 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.868 -2.313 11.391 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.106 -1.045 10.402 1.00 0.00 H new HETATM 0 H81 NAG A 107 -7.130 -2.278 9.631 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.035 -6.009 12.865 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.068 -5.603 11.160 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.278 -3.805 13.208 1.00 0.00 H new HETATM 0 H4 NAG A 107 -1.565 -6.126 11.767 1.00 0.00 H new HETATM 0 H3 NAG A 107 -2.932 -3.855 13.274 1.00 0.00 H new HETATM 0 H2 NAG A 107 -3.029 -4.341 10.264 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -1.873 -7.378 13.942 1.00 0.00 C HETATM 1831 C2 BMA A 108 -0.679 -8.243 14.426 1.00 0.00 C HETATM 1832 C3 BMA A 108 -1.145 -9.717 14.598 1.00 0.00 C HETATM 1833 C4 BMA A 108 -2.382 -9.820 15.533 1.00 0.00 C HETATM 1834 C5 BMA A 108 -3.520 -8.869 15.049 1.00 0.00 C HETATM 1835 C6 BMA A 108 -4.695 -8.801 16.041 1.00 0.00 C HETATM 1836 O2 BMA A 108 -0.167 -7.735 15.656 1.00 0.00 O HETATM 1837 O3 BMA A 108 -0.075 -10.556 15.116 1.00 0.00 O HETATM 1838 O4 BMA A 108 -2.845 -11.166 15.551 1.00 0.00 O HETATM 1839 O5 BMA A 108 -2.998 -7.517 14.859 1.00 0.00 O HETATM 1840 O6 BMA A 108 -5.756 -7.984 15.493 1.00 0.00 O HETATM 0 HO4 BMA A 108 -2.080 -11.776 15.493 1.00 0.00 H new HETATM 0 HO2 BMA A 108 -0.296 -6.764 15.688 1.00 0.00 H new HETATM 0 H62 BMA A 108 -5.067 -9.805 16.247 1.00 0.00 H new HETATM 0 H61 BMA A 108 -4.357 -8.385 16.990 1.00 0.00 H new HETATM 0 H5 BMA A 108 -3.889 -9.279 14.109 1.00 0.00 H new HETATM 0 H4 BMA A 108 -2.092 -9.518 16.540 1.00 0.00 H new HETATM 0 H3 BMA A 108 -1.425 -10.074 13.607 1.00 0.00 H new HETATM 0 H2 BMA A 108 0.118 -8.205 13.684 1.00 0.00 H new HETATM 1850 C1 MAN A 109 0.771 -11.239 14.144 1.00 0.00 C HETATM 1851 C2 MAN A 109 1.284 -12.580 14.731 1.00 0.00 C HETATM 1852 C3 MAN A 109 2.368 -12.335 15.816 1.00 0.00 C HETATM 1853 C4 MAN A 109 3.490 -11.373 15.346 1.00 0.00 C HETATM 1854 C5 MAN A 109 2.884 -10.062 14.761 1.00 0.00 C HETATM 1855 C6 MAN A 109 3.921 -9.129 14.107 1.00 0.00 C HETATM 1856 O2 MAN A 109 1.844 -13.387 13.652 1.00 0.00 O HETATM 1857 O3 MAN A 109 2.940 -13.578 16.214 1.00 0.00 O HETATM 1858 O4 MAN A 109 4.341 -11.079 16.450 1.00 0.00 O HETATM 1859 O5 MAN A 109 1.890 -10.391 13.742 1.00 0.00 O HETATM 1860 O6 MAN A 109 4.794 -8.564 15.077 1.00 0.00 O HETATM 0 HO6 MAN A 109 5.442 -7.978 14.632 1.00 0.00 H new HETATM 0 HO4 MAN A 109 4.735 -10.189 16.332 1.00 0.00 H new HETATM 0 HO3 MAN A 109 2.843 -14.230 15.489 1.00 0.00 H new HETATM 0 H62 MAN A 109 4.502 -9.686 13.373 1.00 0.00 H new HETATM 0 H61 MAN A 109 3.408 -8.332 13.569 1.00 0.00 H new HETATM 0 H5 MAN A 109 2.449 -9.537 15.611 1.00 0.00 H new HETATM 0 H4 MAN A 109 4.069 -11.853 14.557 1.00 0.00 H new HETATM 0 H3 MAN A 109 1.870 -11.857 16.659 1.00 0.00 H new HETATM 0 H2 MAN A 109 0.449 -13.102 15.198 1.00 0.00 H new HETATM 1871 C1 MAN A 110 0.949 -14.373 13.058 1.00 0.00 C HETATM 1872 C2 MAN A 110 1.113 -15.745 13.759 1.00 0.00 C HETATM 1873 C3 MAN A 110 2.454 -16.419 13.373 1.00 0.00 C HETATM 1874 C4 MAN A 110 2.669 -16.477 11.839 1.00 0.00 C HETATM 1875 C5 MAN A 110 2.476 -15.067 11.201 1.00 0.00 C HETATM 1876 C6 MAN A 110 2.488 -15.080 9.660 1.00 0.00 C HETATM 1877 O2 MAN A 110 0.021 -16.582 13.384 1.00 0.00 O HETATM 1878 O3 MAN A 110 2.504 -17.734 13.919 1.00 0.00 O HETATM 1879 O4 MAN A 110 3.978 -16.971 11.575 1.00 0.00 O HETATM 1880 O5 MAN A 110 1.195 -14.497 11.623 1.00 0.00 O HETATM 1881 O6 MAN A 110 1.173 -15.171 9.129 1.00 0.00 O HETATM 0 HO6 MAN A 110 0.541 -14.748 9.747 1.00 0.00 H new HETATM 0 HO4 MAN A 110 3.980 -17.454 10.722 1.00 0.00 H new HETATM 0 HO3 MAN A 110 3.352 -18.159 13.672 1.00 0.00 H new HETATM 0 HO2 MAN A 110 0.328 -17.510 13.316 1.00 0.00 H new HETATM 0 H62 MAN A 110 2.968 -14.174 9.291 1.00 0.00 H new HETATM 0 H61 MAN A 110 3.083 -15.922 9.307 1.00 0.00 H new HETATM 0 H5 MAN A 110 3.322 -14.472 11.545 1.00 0.00 H new HETATM 0 H4 MAN A 110 1.931 -17.145 11.395 1.00 0.00 H new HETATM 0 H3 MAN A 110 3.257 -15.809 13.788 1.00 0.00 H new HETATM 0 H2 MAN A 110 1.120 -15.592 14.838 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -7.033 -8.075 16.180 1.00 0.00 C HETATM 1894 C2 MAN A 111 -8.168 -7.550 15.261 1.00 0.00 C HETATM 1895 C3 MAN A 111 -8.121 -6.003 15.113 1.00 0.00 C HETATM 1896 C4 MAN A 111 -8.014 -5.278 16.484 1.00 0.00 C HETATM 1897 C5 MAN A 111 -6.839 -5.873 17.313 1.00 0.00 C HETATM 1898 C6 MAN A 111 -6.663 -5.266 18.713 1.00 0.00 C HETATM 1899 O2 MAN A 111 -9.423 -7.947 15.809 1.00 0.00 O HETATM 1900 O3 MAN A 111 -9.312 -5.548 14.417 1.00 0.00 O HETATM 1901 O4 MAN A 111 -7.815 -3.885 16.265 1.00 0.00 O HETATM 1902 O5 MAN A 111 -7.008 -7.318 17.432 1.00 0.00 O HETATM 1903 O6 MAN A 111 -7.662 -4.257 18.962 1.00 0.00 O HETATM 0 HO4 MAN A 111 -8.551 -3.382 16.672 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -10.093 -7.255 15.628 1.00 0.00 H new HETATM 0 H62 MAN A 111 -6.736 -6.050 19.466 1.00 0.00 H new HETATM 0 H61 MAN A 111 -5.668 -4.829 18.803 1.00 0.00 H new HETATM 0 H5 MAN A 111 -5.934 -5.619 16.762 1.00 0.00 H new HETATM 0 H4 MAN A 111 -8.937 -5.423 17.046 1.00 0.00 H new HETATM 0 H3 MAN A 111 -7.226 -5.756 14.542 1.00 0.00 H new HETATM 0 H2 MAN A 111 -8.034 -7.977 14.267 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -9.135 -4.850 13.157 1.00 0.00 C HETATM 1914 C2 MAN A 112 -9.123 -3.318 13.390 1.00 0.00 C HETATM 1915 C3 MAN A 112 -10.540 -2.800 13.752 1.00 0.00 C HETATM 1916 C4 MAN A 112 -11.624 -3.268 12.747 1.00 0.00 C HETATM 1917 C5 MAN A 112 -11.553 -4.811 12.534 1.00 0.00 C HETATM 1918 C6 MAN A 112 -12.470 -5.326 11.408 1.00 0.00 C HETATM 1919 O2 MAN A 112 -8.652 -2.680 12.206 1.00 0.00 O HETATM 1920 O3 MAN A 112 -10.530 -1.378 13.823 1.00 0.00 O HETATM 1921 O4 MAN A 112 -12.906 -2.893 13.241 1.00 0.00 O HETATM 1922 O5 MAN A 112 -10.186 -5.209 12.204 1.00 0.00 O HETATM 1923 O6 MAN A 112 -12.157 -4.708 10.166 1.00 0.00 O HETATM 0 HO6 MAN A 112 -12.753 -5.054 9.469 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -13.597 -3.184 12.610 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -11.427 -1.055 14.050 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -9.023 -1.774 12.153 1.00 0.00 H new HETATM 0 H62 MAN A 112 -12.365 -6.407 11.316 1.00 0.00 H new HETATM 0 H61 MAN A 112 -13.511 -5.128 11.664 1.00 0.00 H new HETATM 0 H5 MAN A 112 -11.890 -5.250 13.473 1.00 0.00 H new HETATM 0 H4 MAN A 112 -11.449 -2.791 11.783 1.00 0.00 H new HETATM 0 H3 MAN A 112 -10.798 -3.224 14.723 1.00 0.00 H new HETATM 0 H2 MAN A 112 -8.463 -3.087 14.226 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -7.330 -3.259 19.961 1.00 0.00 C HETATM 1936 C2 MAN A 113 -8.610 -2.478 20.356 1.00 0.00 C HETATM 1937 C3 MAN A 113 -9.052 -1.530 19.206 1.00 0.00 C HETATM 1938 C4 MAN A 113 -7.899 -0.638 18.677 1.00 0.00 C HETATM 1939 C5 MAN A 113 -6.653 -1.504 18.322 1.00 0.00 C HETATM 1940 C6 MAN A 113 -5.402 -0.682 17.957 1.00 0.00 C HETATM 1941 O2 MAN A 113 -8.332 -1.721 21.566 1.00 0.00 O HETATM 1942 O3 MAN A 113 -10.134 -0.713 19.641 1.00 0.00 O HETATM 1943 O4 MAN A 113 -8.354 0.071 17.528 1.00 0.00 O HETATM 1944 O5 MAN A 113 -6.304 -2.354 19.456 1.00 0.00 O HETATM 1945 O6 MAN A 113 -5.545 -0.063 16.684 1.00 0.00 O HETATM 0 HO6 MAN A 113 -4.738 0.453 16.479 1.00 0.00 H new HETATM 0 HO4 MAN A 113 -7.617 0.167 16.890 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -10.144 -0.677 20.620 1.00 0.00 H new HETATM 0 H62 MAN A 113 -5.230 0.080 18.717 1.00 0.00 H new HETATM 0 H61 MAN A 113 -4.526 -1.331 17.952 1.00 0.00 H new HETATM 0 H5 MAN A 113 -6.940 -2.083 17.444 1.00 0.00 H new HETATM 0 H4 MAN A 113 -7.605 0.070 19.452 1.00 0.00 H new HETATM 0 H3 MAN A 113 -9.367 -2.164 18.378 1.00 0.00 H new HETATM 0 H2 MAN A 113 -9.427 -3.177 20.537 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -8.733 -2.323 22.827 1.00 0.00 C HETATM 1957 C2 MAN A 114 -9.139 -1.223 23.839 1.00 0.00 C HETATM 1958 C3 MAN A 114 -7.895 -0.452 24.353 1.00 0.00 C HETATM 1959 C4 MAN A 114 -6.782 -1.395 24.879 1.00 0.00 C HETATM 1960 C5 MAN A 114 -6.443 -2.489 23.823 1.00 0.00 C HETATM 1961 C6 MAN A 114 -5.483 -3.579 24.337 1.00 0.00 C HETATM 1962 O2 MAN A 114 -9.821 -1.834 24.931 1.00 0.00 O HETATM 1963 O3 MAN A 114 -8.282 0.457 25.378 1.00 0.00 O HETATM 1964 O4 MAN A 114 -5.626 -0.622 25.184 1.00 0.00 O HETATM 1965 O5 MAN A 114 -7.667 -3.157 23.385 1.00 0.00 O HETATM 1966 O6 MAN A 114 -6.115 -4.853 24.370 1.00 0.00 O HETATM 0 HO6 MAN A 114 -7.025 -4.776 24.014 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -4.978 -1.178 25.665 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -7.493 0.941 25.701 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -9.604 -1.358 25.760 1.00 0.00 H new HETATM 0 H62 MAN A 114 -4.604 -3.624 23.695 1.00 0.00 H new HETATM 0 H61 MAN A 114 -5.135 -3.318 25.336 1.00 0.00 H new HETATM 0 H5 MAN A 114 -5.949 -1.960 23.008 1.00 0.00 H new HETATM 0 H4 MAN A 114 -7.132 -1.899 25.780 1.00 0.00 H new HETATM 0 H3 MAN A 114 -7.480 0.092 23.505 1.00 0.00 H new HETATM 0 H2 MAN A 114 -9.793 -0.506 23.343 1.00 0.00 H new