USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 LYS NZ :NH3+ 161:sc= -5.11! (180deg=-6.16!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 30 LYS NZ :NH3+ 165:sc= -1.19 (180deg=-1.72!) USER MOD Set 2.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 5 ASN :FLIP amide:sc= -5.01! C(o=-11!,f=-7.1!) USER MOD Set 3.2: A 9 TYR OH : rot -165:sc= -2.11! USER MOD Single : A 8 THR OG1 : rot -18:sc= 0.291! USER MOD Single : A 12 TYR OH : rot -142:sc= -1.77! USER MOD Single : A 13 ASN : amide:sc= -14.1! C(o=-14!,f=-22!) USER MOD Single : A 14 LYS NZ :NH3+ -141:sc= -0.716 (180deg=-1.59) USER MOD Single : A 15 SER OG : rot -31:sc= 0.516 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.1 USER MOD Single : A 35 MET CE :methyl 173:sc= -26.2! (180deg=-27!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -4.13! USER MOD Single : A 48 SER OG : rot -53:sc= -3.05! USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 52 LYS NZ :NH3+ 167:sc= 0.605 (180deg=0.506) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= -3.95! (180deg=-5.04!) USER MOD Single : A 63 HIS : no HD1:sc= -22.6! C(o=-23!,f=-24!) USER MOD Single : A 64 TYR OH : rot -16:sc= -11.9! USER MOD Single : A 65 HIS : no HD1:sc= -0.082 X(o=-0.082,f=-0.0089) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -5.02! USER MOD Single : A 77 TYR OH : rot 180:sc= -0.042 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 38:sc= 0.246 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -28.1! C(o=-32!,f=-28!) USER MOD Single : A 95 GLN :FLIP amide:sc= -17.6! C(o=-19!,f=-18!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -11.3! C(o=-11!,f=-14!) USER MOD Single : A 103 THR OG1 : rot 6:sc= 0.268! USER MOD Single : A 110 CYS SG : rot 43:sc= -0.359! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -1.283 12.686 5.695 1.00 0.00 N ATOM 22 CA ASN A 5 -1.074 12.078 7.009 1.00 0.00 C ATOM 23 C ASN A 5 -1.456 10.601 7.014 1.00 0.00 C ATOM 24 O ASN A 5 -2.263 10.168 7.836 1.00 0.00 O ATOM 25 CB ASN A 5 -1.897 12.820 8.062 1.00 0.00 C ATOM 26 CG ASN A 5 -3.320 12.296 8.161 1.00 0.00 C ATOM 27 OD1 ASN A 5 -3.798 11.658 7.095 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -3.983 12.464 9.183 1.00 0.00 N flip ATOM 0 HA ASN A 5 -0.012 12.154 7.244 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.410 12.726 9.032 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.920 13.882 7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -3.578 12.959 9.978 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.938 12.109 9.236 1.00 0.00 H new ATOM 35 N LEU A 6 -0.882 9.830 6.098 1.00 0.00 N ATOM 36 CA LEU A 6 -1.179 8.412 6.016 1.00 0.00 C ATOM 37 C LEU A 6 -0.368 7.611 7.031 1.00 0.00 C ATOM 38 O LEU A 6 -0.888 6.710 7.688 1.00 0.00 O ATOM 39 CB LEU A 6 -0.917 7.905 4.601 1.00 0.00 C ATOM 40 CG LEU A 6 -1.489 6.523 4.307 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.546 6.161 5.338 1.00 0.00 C ATOM 42 CD2 LEU A 6 -2.064 6.464 2.897 1.00 0.00 C ATOM 0 H LEU A 6 -0.212 10.165 5.406 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.233 8.273 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.337 8.617 3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.159 7.882 4.431 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.681 5.794 4.370 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.946 5.172 5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.099 6.157 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.352 6.894 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.466 5.469 2.710 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.860 7.202 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.277 6.679 2.174 1.00 0.00 H new ATOM 54 N GLU A 7 0.907 7.949 7.148 1.00 0.00 N ATOM 55 CA GLU A 7 1.809 7.271 8.074 1.00 0.00 C ATOM 56 C GLU A 7 1.194 7.141 9.461 1.00 0.00 C ATOM 57 O GLU A 7 1.692 6.385 10.298 1.00 0.00 O ATOM 58 CB GLU A 7 3.138 8.022 8.163 1.00 0.00 C ATOM 59 CG GLU A 7 3.010 9.419 8.745 1.00 0.00 C ATOM 60 CD GLU A 7 2.615 10.450 7.706 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.078 10.336 6.550 1.00 0.00 O ATOM 62 OE2 GLU A 7 1.844 11.370 8.046 1.00 0.00 O ATOM 0 H GLU A 7 1.346 8.695 6.609 1.00 0.00 H new ATOM 0 HA GLU A 7 1.985 6.267 7.688 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.831 7.445 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.574 8.091 7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.267 9.410 9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.959 9.709 9.196 1.00 0.00 H new ATOM 69 N THR A 8 0.118 7.875 9.708 1.00 0.00 N ATOM 70 CA THR A 8 -0.543 7.827 11.004 1.00 0.00 C ATOM 71 C THR A 8 -1.613 6.742 11.039 1.00 0.00 C ATOM 72 O THR A 8 -2.114 6.387 12.105 1.00 0.00 O ATOM 73 CB THR A 8 -1.159 9.185 11.343 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.070 9.068 12.421 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.900 9.812 10.182 1.00 0.00 C ATOM 0 H THR A 8 -0.313 8.507 9.033 1.00 0.00 H new ATOM 0 HA THR A 8 0.211 7.585 11.753 1.00 0.00 H new ATOM 0 HB THR A 8 -0.318 9.826 11.605 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.331 8.130 12.528 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.312 10.773 10.490 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.212 9.962 9.350 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.710 9.153 9.869 1.00 0.00 H new ATOM 83 N TYR A 9 -1.959 6.219 9.871 1.00 0.00 N ATOM 84 CA TYR A 9 -2.964 5.178 9.777 1.00 0.00 C ATOM 85 C TYR A 9 -2.348 3.808 10.011 1.00 0.00 C ATOM 86 O TYR A 9 -1.130 3.643 9.943 1.00 0.00 O ATOM 87 CB TYR A 9 -3.655 5.221 8.416 1.00 0.00 C ATOM 88 CG TYR A 9 -4.509 6.451 8.230 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.937 7.662 7.867 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.881 6.405 8.430 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.710 8.794 7.707 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.662 7.533 8.273 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.071 8.727 7.910 1.00 0.00 C ATOM 94 OH TYR A 9 -6.845 9.855 7.753 1.00 0.00 O ATOM 0 H TYR A 9 -1.557 6.501 8.977 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.709 5.357 10.553 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.901 5.186 7.630 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.276 4.333 8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.870 7.720 7.707 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.346 5.472 8.713 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.250 9.729 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.729 7.482 8.433 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.725 9.707 8.158 1.00 0.00 H new ATOM 104 N GLU A 10 -3.195 2.828 10.290 1.00 0.00 N ATOM 105 CA GLU A 10 -2.732 1.473 10.536 1.00 0.00 C ATOM 106 C GLU A 10 -2.318 0.793 9.248 1.00 0.00 C ATOM 107 O GLU A 10 -2.387 -0.430 9.139 1.00 0.00 O ATOM 108 CB GLU A 10 -3.831 0.639 11.186 1.00 0.00 C ATOM 109 CG GLU A 10 -3.330 -0.685 11.735 1.00 0.00 C ATOM 110 CD GLU A 10 -2.585 -0.532 13.047 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.357 0.622 13.468 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.230 -1.564 13.652 1.00 0.00 O ATOM 0 H GLU A 10 -4.206 2.947 10.351 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.872 1.544 11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.284 1.213 11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.615 0.448 10.453 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.176 -1.357 11.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.673 -1.152 11.001 1.00 0.00 H new ATOM 119 N TRP A 11 -1.914 1.567 8.257 1.00 0.00 N ATOM 120 CA TRP A 11 -1.547 0.970 6.995 1.00 0.00 C ATOM 121 C TRP A 11 -0.571 1.814 6.185 1.00 0.00 C ATOM 122 O TRP A 11 -0.289 1.475 5.045 1.00 0.00 O ATOM 123 CB TRP A 11 -2.820 0.719 6.197 1.00 0.00 C ATOM 124 CG TRP A 11 -3.859 1.765 6.440 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.739 1.819 7.480 1.00 0.00 C ATOM 126 CD2 TRP A 11 -4.117 2.913 5.634 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.518 2.944 7.380 1.00 0.00 N ATOM 128 CE2 TRP A 11 -5.158 3.631 6.248 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.565 3.403 4.453 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.653 4.819 5.716 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -4.054 4.580 3.927 1.00 0.00 C ATOM 132 CH2 TRP A 11 -5.091 5.280 4.558 1.00 0.00 C ATOM 0 H TRP A 11 -1.834 2.583 8.301 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.025 0.037 7.206 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.580 0.689 5.134 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.224 -0.259 6.460 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.812 1.084 8.268 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.245 3.224 8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.767 2.870 3.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.453 5.358 6.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.630 4.969 3.013 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.453 6.200 4.122 1.00 0.00 H new ATOM 143 N TYR A 12 -0.021 2.888 6.748 1.00 0.00 N ATOM 144 CA TYR A 12 0.938 3.675 5.988 1.00 0.00 C ATOM 145 C TYR A 12 2.359 3.282 6.343 1.00 0.00 C ATOM 146 O TYR A 12 2.672 2.996 7.500 1.00 0.00 O ATOM 147 CB TYR A 12 0.783 5.183 6.159 1.00 0.00 C ATOM 148 CG TYR A 12 1.751 5.919 5.254 1.00 0.00 C ATOM 149 CD1 TYR A 12 1.458 6.111 3.910 1.00 0.00 C ATOM 150 CD2 TYR A 12 2.985 6.361 5.718 1.00 0.00 C ATOM 151 CE1 TYR A 12 2.349 6.726 3.065 1.00 0.00 C ATOM 152 CE2 TYR A 12 3.887 6.975 4.872 1.00 0.00 C ATOM 153 CZ TYR A 12 3.565 7.155 3.545 1.00 0.00 C ATOM 154 OH TYR A 12 4.461 7.766 2.699 1.00 0.00 O ATOM 0 H TYR A 12 -0.215 3.222 7.692 1.00 0.00 H new ATOM 0 HA TYR A 12 0.726 3.448 4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.240 5.479 5.925 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.965 5.458 7.198 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.510 5.770 3.521 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.242 6.222 6.758 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.096 6.873 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.841 7.313 5.249 1.00 0.00 H new ATOM 0 HH TYR A 12 5.371 7.478 2.922 1.00 0.00 H new ATOM 164 N ASN A 13 3.210 3.260 5.332 1.00 0.00 N ATOM 165 CA ASN A 13 4.601 2.890 5.509 1.00 0.00 C ATOM 166 C ASN A 13 5.527 3.997 5.014 1.00 0.00 C ATOM 167 O ASN A 13 5.625 4.248 3.814 1.00 0.00 O ATOM 168 CB ASN A 13 4.866 1.599 4.752 1.00 0.00 C ATOM 169 CG ASN A 13 5.392 0.493 5.645 1.00 0.00 C ATOM 170 OD1 ASN A 13 6.532 0.051 5.504 1.00 0.00 O ATOM 171 ND2 ASN A 13 4.560 0.040 6.577 1.00 0.00 N ATOM 0 H ASN A 13 2.958 3.496 4.372 1.00 0.00 H new ATOM 0 HA ASN A 13 4.801 2.743 6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.944 1.267 4.275 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.586 1.791 3.956 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.858 -0.702 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.623 0.435 6.660 1.00 0.00 H new ATOM 178 N LYS A 14 6.199 4.660 5.949 1.00 0.00 N ATOM 179 CA LYS A 14 7.110 5.744 5.614 1.00 0.00 C ATOM 180 C LYS A 14 8.531 5.230 5.397 1.00 0.00 C ATOM 181 O LYS A 14 9.042 4.434 6.185 1.00 0.00 O ATOM 182 CB LYS A 14 7.108 6.797 6.722 1.00 0.00 C ATOM 183 CG LYS A 14 7.436 8.197 6.233 1.00 0.00 C ATOM 184 CD LYS A 14 8.911 8.519 6.412 1.00 0.00 C ATOM 185 CE LYS A 14 9.440 7.981 7.732 1.00 0.00 C ATOM 186 NZ LYS A 14 8.538 8.311 8.870 1.00 0.00 N ATOM 0 H LYS A 14 6.128 4.463 6.947 1.00 0.00 H new ATOM 0 HA LYS A 14 6.763 6.193 4.684 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.128 6.808 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.831 6.510 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.168 8.288 5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.835 8.924 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.481 8.090 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.057 9.599 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.555 6.899 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.430 8.396 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.108 8.556 9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.936 9.119 8.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.940 7.489 9.088 1.00 0.00 H new ATOM 200 N SER A 15 9.166 5.702 4.329 1.00 0.00 N ATOM 201 CA SER A 15 10.534 5.307 4.009 1.00 0.00 C ATOM 202 C SER A 15 10.620 3.824 3.664 1.00 0.00 C ATOM 203 O SER A 15 11.700 3.312 3.367 1.00 0.00 O ATOM 204 CB SER A 15 11.464 5.622 5.182 1.00 0.00 C ATOM 205 OG SER A 15 12.819 5.384 4.838 1.00 0.00 O ATOM 0 H SER A 15 8.754 6.361 3.668 1.00 0.00 H new ATOM 0 HA SER A 15 10.848 5.877 3.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.339 6.663 5.480 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.191 5.009 6.041 1.00 0.00 H new ATOM 0 HG SER A 15 12.868 4.653 4.187 1.00 0.00 H new ATOM 211 N ILE A 16 9.486 3.137 3.701 1.00 0.00 N ATOM 212 CA ILE A 16 9.454 1.714 3.387 1.00 0.00 C ATOM 213 C ILE A 16 8.649 1.442 2.122 1.00 0.00 C ATOM 214 O ILE A 16 7.420 1.375 2.154 1.00 0.00 O ATOM 215 CB ILE A 16 8.865 0.888 4.540 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.770 1.733 5.807 1.00 0.00 C ATOM 217 CG2 ILE A 16 9.705 -0.355 4.784 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.372 2.229 6.084 1.00 0.00 C ATOM 0 H ILE A 16 8.581 3.539 3.944 1.00 0.00 H new ATOM 0 HA ILE A 16 10.489 1.412 3.229 1.00 0.00 H new ATOM 0 HB ILE A 16 7.859 0.573 4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.115 1.144 6.656 1.00 0.00 H new ATOM 0 HG13 ILE A 16 9.441 2.587 5.718 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.275 -0.930 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.721 -0.966 3.882 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.723 -0.062 5.042 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.371 2.823 6.998 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.032 2.844 5.251 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.701 1.378 6.204 1.00 0.00 H new ATOM 230 N SER A 17 9.356 1.287 1.010 1.00 0.00 N ATOM 231 CA SER A 17 8.719 1.020 -0.274 1.00 0.00 C ATOM 232 C SER A 17 7.857 -0.237 -0.205 1.00 0.00 C ATOM 233 O SER A 17 7.886 -0.970 0.783 1.00 0.00 O ATOM 234 CB SER A 17 9.775 0.868 -1.369 1.00 0.00 C ATOM 235 OG SER A 17 10.413 -0.396 -1.291 1.00 0.00 O ATOM 0 H SER A 17 10.374 1.342 0.971 1.00 0.00 H new ATOM 0 HA SER A 17 8.076 1.866 -0.514 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.308 0.983 -2.347 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.518 1.660 -1.275 1.00 0.00 H new ATOM 0 HG SER A 17 11.083 -0.469 -2.003 1.00 0.00 H new ATOM 241 N ARG A 18 7.085 -0.472 -1.259 1.00 0.00 N ATOM 242 CA ARG A 18 6.204 -1.630 -1.328 1.00 0.00 C ATOM 243 C ARG A 18 6.981 -2.936 -1.173 1.00 0.00 C ATOM 244 O ARG A 18 6.426 -3.940 -0.729 1.00 0.00 O ATOM 245 CB ARG A 18 5.441 -1.628 -2.652 1.00 0.00 C ATOM 246 CG ARG A 18 5.820 -2.769 -3.583 1.00 0.00 C ATOM 247 CD ARG A 18 7.245 -2.635 -4.100 1.00 0.00 C ATOM 248 NE ARG A 18 7.707 -1.250 -4.111 1.00 0.00 N ATOM 249 CZ ARG A 18 8.975 -0.900 -4.301 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.900 -1.830 -4.491 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.320 0.380 -4.304 1.00 0.00 N ATOM 0 H ARG A 18 7.052 0.129 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 18 5.497 -1.562 -0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.372 -1.681 -2.444 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.620 -0.681 -3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 18 5.713 -3.717 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.129 -2.793 -4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.912 -3.232 -3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.302 -3.042 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 18 7.019 -0.511 -3.965 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.639 -2.816 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.873 -1.560 -4.637 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.611 1.100 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.294 0.645 -4.450 1.00 0.00 H new ATOM 265 N ASP A 19 8.261 -2.927 -1.540 1.00 0.00 N ATOM 266 CA ASP A 19 9.077 -4.132 -1.430 1.00 0.00 C ATOM 267 C ASP A 19 9.243 -4.525 0.028 1.00 0.00 C ATOM 268 O ASP A 19 9.143 -5.704 0.392 1.00 0.00 O ATOM 269 CB ASP A 19 10.450 -3.901 -2.063 1.00 0.00 C ATOM 270 CG ASP A 19 11.208 -5.194 -2.292 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.764 -6.241 -1.773 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.243 -5.161 -2.988 1.00 0.00 O ATOM 0 H ASP A 19 8.749 -2.111 -1.911 1.00 0.00 H new ATOM 0 HA ASP A 19 8.573 -4.940 -1.960 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.326 -3.383 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.038 -3.248 -1.419 1.00 0.00 H new ATOM 277 N LYS A 20 9.451 -3.521 0.868 1.00 0.00 N ATOM 278 CA LYS A 20 9.592 -3.742 2.295 1.00 0.00 C ATOM 279 C LYS A 20 8.244 -4.129 2.859 1.00 0.00 C ATOM 280 O LYS A 20 8.111 -5.119 3.584 1.00 0.00 O ATOM 281 CB LYS A 20 10.136 -2.492 2.983 1.00 0.00 C ATOM 282 CG LYS A 20 11.559 -2.154 2.569 1.00 0.00 C ATOM 283 CD LYS A 20 12.272 -1.327 3.624 1.00 0.00 C ATOM 284 CE LYS A 20 12.413 0.121 3.188 1.00 0.00 C ATOM 285 NZ LYS A 20 13.836 0.555 3.154 1.00 0.00 N ATOM 0 H LYS A 20 9.526 -2.545 0.583 1.00 0.00 H new ATOM 0 HA LYS A 20 10.304 -4.547 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.487 -1.647 2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.103 -2.636 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.115 -3.075 2.392 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.543 -1.606 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.718 -1.374 4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.259 -1.749 3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.971 0.247 2.199 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.854 0.762 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.889 1.549 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.251 0.459 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.364 -0.039 2.484 1.00 0.00 H new ATOM 299 N ALA A 21 7.236 -3.360 2.472 1.00 0.00 N ATOM 300 CA ALA A 21 5.871 -3.622 2.880 1.00 0.00 C ATOM 301 C ALA A 21 5.455 -4.992 2.363 1.00 0.00 C ATOM 302 O ALA A 21 4.829 -5.781 3.074 1.00 0.00 O ATOM 303 CB ALA A 21 4.944 -2.536 2.356 1.00 0.00 C ATOM 0 H ALA A 21 7.344 -2.543 1.871 1.00 0.00 H new ATOM 0 HA ALA A 21 5.804 -3.616 3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.922 -2.747 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.254 -1.570 2.754 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.991 -2.512 1.267 1.00 0.00 H new ATOM 309 N GLU A 22 5.839 -5.275 1.120 1.00 0.00 N ATOM 310 CA GLU A 22 5.534 -6.556 0.503 1.00 0.00 C ATOM 311 C GLU A 22 6.288 -7.665 1.215 1.00 0.00 C ATOM 312 O GLU A 22 5.700 -8.674 1.619 1.00 0.00 O ATOM 313 CB GLU A 22 5.904 -6.538 -0.982 1.00 0.00 C ATOM 314 CG GLU A 22 5.437 -7.769 -1.740 1.00 0.00 C ATOM 315 CD GLU A 22 6.103 -7.908 -3.094 1.00 0.00 C ATOM 316 OE1 GLU A 22 5.785 -7.107 -3.997 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.946 -8.818 -3.251 1.00 0.00 O ATOM 0 H GLU A 22 6.361 -4.633 0.524 1.00 0.00 H new ATOM 0 HA GLU A 22 4.463 -6.739 0.590 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.472 -5.651 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.986 -6.452 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.644 -8.658 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.356 -7.720 -1.874 1.00 0.00 H new ATOM 324 N LYS A 23 7.589 -7.461 1.399 1.00 0.00 N ATOM 325 CA LYS A 23 8.406 -8.445 2.096 1.00 0.00 C ATOM 326 C LYS A 23 7.882 -8.618 3.513 1.00 0.00 C ATOM 327 O LYS A 23 7.721 -9.734 4.001 1.00 0.00 O ATOM 328 CB LYS A 23 9.879 -8.034 2.115 1.00 0.00 C ATOM 329 CG LYS A 23 10.100 -6.558 2.382 1.00 0.00 C ATOM 330 CD LYS A 23 10.739 -6.323 3.741 1.00 0.00 C ATOM 331 CE LYS A 23 10.042 -7.122 4.832 1.00 0.00 C ATOM 332 NZ LYS A 23 10.913 -7.308 6.026 1.00 0.00 N ATOM 0 H LYS A 23 8.094 -6.634 1.079 1.00 0.00 H new ATOM 0 HA LYS A 23 8.340 -9.394 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.398 -8.613 2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.331 -8.292 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.736 -6.138 1.603 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.146 -6.032 2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.792 -6.601 3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.699 -5.261 3.984 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.126 -6.611 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.751 -8.096 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.402 -7.857 6.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.776 -7.818 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.170 -6.379 6.417 1.00 0.00 H new ATOM 346 N LEU A 24 7.592 -7.500 4.157 1.00 0.00 N ATOM 347 CA LEU A 24 7.049 -7.526 5.507 1.00 0.00 C ATOM 348 C LEU A 24 5.629 -8.079 5.486 1.00 0.00 C ATOM 349 O LEU A 24 5.223 -8.818 6.384 1.00 0.00 O ATOM 350 CB LEU A 24 7.057 -6.128 6.129 1.00 0.00 C ATOM 351 CG LEU A 24 6.400 -5.035 5.289 1.00 0.00 C ATOM 352 CD1 LEU A 24 4.889 -5.052 5.459 1.00 0.00 C ATOM 353 CD2 LEU A 24 6.965 -3.672 5.662 1.00 0.00 C ATOM 0 H LEU A 24 7.722 -6.565 3.770 1.00 0.00 H new ATOM 0 HA LEU A 24 7.679 -8.174 6.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.552 -6.175 7.094 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.090 -5.841 6.324 1.00 0.00 H new ATOM 0 HG LEU A 24 6.622 -5.230 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.445 -4.264 4.850 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.498 -6.019 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.639 -4.885 6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.488 -2.902 5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.772 -3.475 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.040 -3.662 5.481 1.00 0.00 H new ATOM 365 N LEU A 25 4.873 -7.702 4.455 1.00 0.00 N ATOM 366 CA LEU A 25 3.489 -8.144 4.317 1.00 0.00 C ATOM 367 C LEU A 25 3.391 -9.630 4.019 1.00 0.00 C ATOM 368 O LEU A 25 2.661 -10.359 4.689 1.00 0.00 O ATOM 369 CB LEU A 25 2.785 -7.353 3.215 1.00 0.00 C ATOM 370 CG LEU A 25 2.212 -6.005 3.647 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.804 -5.190 2.431 1.00 0.00 C ATOM 372 CD2 LEU A 25 1.028 -6.202 4.582 1.00 0.00 C ATOM 0 H LEU A 25 5.197 -7.092 3.705 1.00 0.00 H new ATOM 0 HA LEU A 25 2.998 -7.961 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.491 -7.186 2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.975 -7.962 2.813 1.00 0.00 H new ATOM 0 HG LEU A 25 2.985 -5.457 4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.397 -4.232 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.675 -5.019 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.046 -5.733 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.633 -5.230 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.250 -6.768 4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.351 -6.749 5.468 1.00 0.00 H new ATOM 384 N LEU A 26 4.118 -10.077 3.009 1.00 0.00 N ATOM 385 CA LEU A 26 4.092 -11.485 2.637 1.00 0.00 C ATOM 386 C LEU A 26 4.617 -12.346 3.777 1.00 0.00 C ATOM 387 O LEU A 26 4.178 -13.480 3.970 1.00 0.00 O ATOM 388 CB LEU A 26 4.905 -11.725 1.362 1.00 0.00 C ATOM 389 CG LEU A 26 6.336 -12.208 1.590 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.098 -12.260 0.275 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.040 -11.301 2.582 1.00 0.00 C ATOM 0 H LEU A 26 4.728 -9.494 2.436 1.00 0.00 H new ATOM 0 HA LEU A 26 3.058 -11.767 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.383 -12.460 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.937 -10.798 0.790 1.00 0.00 H new ATOM 0 HG LEU A 26 6.304 -13.216 2.003 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.115 -12.606 0.457 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.598 -12.946 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.128 -11.265 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.059 -11.654 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.064 -10.284 2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.503 -11.313 3.531 1.00 0.00 H new ATOM 403 N ASP A 27 5.552 -11.791 4.536 1.00 0.00 N ATOM 404 CA ASP A 27 6.137 -12.489 5.671 1.00 0.00 C ATOM 405 C ASP A 27 5.110 -12.681 6.779 1.00 0.00 C ATOM 406 O ASP A 27 5.042 -13.737 7.408 1.00 0.00 O ATOM 407 CB ASP A 27 7.346 -11.719 6.206 1.00 0.00 C ATOM 408 CG ASP A 27 7.294 -11.532 7.709 1.00 0.00 C ATOM 409 OD1 ASP A 27 6.250 -11.064 8.213 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.296 -11.850 8.383 1.00 0.00 O ATOM 0 H ASP A 27 5.923 -10.853 4.384 1.00 0.00 H new ATOM 0 HA ASP A 27 6.465 -13.471 5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.259 -12.252 5.940 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.394 -10.743 5.723 1.00 0.00 H new ATOM 415 N THR A 28 4.318 -11.644 7.011 1.00 0.00 N ATOM 416 CA THR A 28 3.290 -11.676 8.045 1.00 0.00 C ATOM 417 C THR A 28 2.225 -12.714 7.725 1.00 0.00 C ATOM 418 O THR A 28 1.853 -13.522 8.577 1.00 0.00 O ATOM 419 CB THR A 28 2.647 -10.297 8.197 1.00 0.00 C ATOM 420 OG1 THR A 28 3.633 -9.281 8.203 1.00 0.00 O ATOM 421 CG2 THR A 28 1.831 -10.153 9.463 1.00 0.00 C ATOM 0 H THR A 28 4.367 -10.765 6.495 1.00 0.00 H new ATOM 0 HA THR A 28 3.767 -11.953 8.985 1.00 0.00 H new ATOM 0 HB THR A 28 1.980 -10.194 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.797 -8.979 7.285 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.403 -9.152 9.508 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.029 -10.891 9.465 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.473 -10.313 10.330 1.00 0.00 H new ATOM 429 N GLY A 29 1.743 -12.685 6.494 1.00 0.00 N ATOM 430 CA GLY A 29 0.727 -13.631 6.076 1.00 0.00 C ATOM 431 C GLY A 29 -0.653 -13.287 6.605 1.00 0.00 C ATOM 432 O GLY A 29 -1.440 -14.177 6.926 1.00 0.00 O ATOM 0 H GLY A 29 2.036 -12.024 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.695 -13.665 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.004 -14.628 6.418 1.00 0.00 H new ATOM 436 N LYS A 30 -0.951 -11.994 6.694 1.00 0.00 N ATOM 437 CA LYS A 30 -2.250 -11.545 7.184 1.00 0.00 C ATOM 438 C LYS A 30 -3.175 -11.194 6.033 1.00 0.00 C ATOM 439 O LYS A 30 -2.961 -10.197 5.341 1.00 0.00 O ATOM 440 CB LYS A 30 -2.097 -10.316 8.080 1.00 0.00 C ATOM 441 CG LYS A 30 -2.144 -10.633 9.566 1.00 0.00 C ATOM 442 CD LYS A 30 -3.417 -10.110 10.209 1.00 0.00 C ATOM 443 CE LYS A 30 -3.206 -9.782 11.678 1.00 0.00 C ATOM 444 NZ LYS A 30 -1.794 -9.410 11.967 1.00 0.00 N ATOM 0 H LYS A 30 -0.313 -11.241 6.434 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.680 -12.366 7.757 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.150 -9.827 7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.888 -9.605 7.844 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.079 -11.711 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.278 -10.192 10.060 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.752 -9.218 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.207 -10.854 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.863 -8.961 11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.486 -10.642 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.739 -8.955 12.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.202 -10.265 11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.453 -8.750 11.239 1.00 0.00 H new ATOM 458 N GLU A 31 -4.213 -11.993 5.832 1.00 0.00 N ATOM 459 CA GLU A 31 -5.153 -11.712 4.764 1.00 0.00 C ATOM 460 C GLU A 31 -5.663 -10.287 4.914 1.00 0.00 C ATOM 461 O GLU A 31 -6.188 -9.918 5.963 1.00 0.00 O ATOM 462 CB GLU A 31 -6.325 -12.697 4.808 1.00 0.00 C ATOM 463 CG GLU A 31 -7.491 -12.218 5.655 1.00 0.00 C ATOM 464 CD GLU A 31 -8.780 -12.952 5.343 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.709 -14.144 4.974 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.860 -12.338 5.468 1.00 0.00 O ATOM 0 H GLU A 31 -4.421 -12.825 6.384 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.650 -11.823 3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.675 -12.878 3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.972 -13.652 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.248 -12.351 6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.637 -11.150 5.494 1.00 0.00 H new ATOM 473 N GLY A 32 -5.503 -9.481 3.871 1.00 0.00 N ATOM 474 CA GLY A 32 -5.950 -8.117 3.943 1.00 0.00 C ATOM 475 C GLY A 32 -4.950 -7.218 4.625 1.00 0.00 C ATOM 476 O GLY A 32 -5.268 -6.076 4.949 1.00 0.00 O ATOM 0 H GLY A 32 -5.074 -9.752 2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.139 -7.746 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.897 -8.076 4.481 1.00 0.00 H new ATOM 480 N ALA A 33 -3.734 -7.709 4.854 1.00 0.00 N ATOM 481 CA ALA A 33 -2.747 -6.865 5.511 1.00 0.00 C ATOM 482 C ALA A 33 -2.213 -5.849 4.519 1.00 0.00 C ATOM 483 O ALA A 33 -1.592 -6.216 3.522 1.00 0.00 O ATOM 484 CB ALA A 33 -1.614 -7.715 6.071 1.00 0.00 C ATOM 0 H ALA A 33 -3.420 -8.647 4.606 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.217 -6.338 6.341 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.883 -7.071 6.560 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.015 -8.424 6.796 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.132 -8.260 5.259 1.00 0.00 H new ATOM 490 N PHE A 34 -2.461 -4.571 4.780 1.00 0.00 N ATOM 491 CA PHE A 34 -1.999 -3.535 3.874 1.00 0.00 C ATOM 492 C PHE A 34 -1.166 -2.450 4.541 1.00 0.00 C ATOM 493 O PHE A 34 -1.203 -2.260 5.756 1.00 0.00 O ATOM 494 CB PHE A 34 -3.175 -2.911 3.131 1.00 0.00 C ATOM 495 CG PHE A 34 -4.279 -2.420 4.020 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.022 -1.562 5.077 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.585 -2.803 3.779 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.049 -1.097 5.873 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.613 -2.346 4.575 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.347 -1.490 5.623 1.00 0.00 C ATOM 0 H PHE A 34 -2.970 -4.234 5.597 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.335 -4.036 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.809 -2.077 2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.583 -3.647 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.007 -1.254 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.803 -3.469 2.957 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.836 -0.425 6.692 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.628 -2.659 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.152 -1.129 6.246 1.00 0.00 H new ATOM 510 N MET A 35 -0.456 -1.709 3.696 1.00 0.00 N ATOM 511 CA MET A 35 0.364 -0.582 4.134 1.00 0.00 C ATOM 512 C MET A 35 0.527 0.413 2.984 1.00 0.00 C ATOM 513 O MET A 35 0.795 0.023 1.854 1.00 0.00 O ATOM 514 CB MET A 35 1.729 -1.052 4.626 1.00 0.00 C ATOM 515 CG MET A 35 2.127 -2.421 4.109 1.00 0.00 C ATOM 516 SD MET A 35 2.592 -3.551 5.431 1.00 0.00 S ATOM 517 CE MET A 35 1.526 -2.985 6.751 1.00 0.00 C ATOM 0 H MET A 35 -0.432 -1.872 2.689 1.00 0.00 H new ATOM 0 HA MET A 35 -0.139 -0.092 4.967 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.484 -0.326 4.324 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.725 -1.072 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.297 -2.848 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.962 -2.315 3.416 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.606 -3.664 7.600 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.827 -1.983 7.058 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.494 -2.962 6.401 1.00 0.00 H new ATOM 527 N VAL A 36 0.356 1.699 3.271 1.00 0.00 N ATOM 528 CA VAL A 36 0.464 2.728 2.255 1.00 0.00 C ATOM 529 C VAL A 36 1.793 3.456 2.355 1.00 0.00 C ATOM 530 O VAL A 36 2.118 4.038 3.389 1.00 0.00 O ATOM 531 CB VAL A 36 -0.687 3.740 2.392 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.913 3.272 1.624 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.024 3.947 3.857 1.00 0.00 C ATOM 0 H VAL A 36 0.141 2.050 4.204 1.00 0.00 H new ATOM 0 HA VAL A 36 0.404 2.242 1.281 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.366 4.691 1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.713 4.003 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.663 3.166 0.568 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.243 2.310 2.017 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.840 4.665 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.327 2.998 4.298 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.148 4.328 4.382 1.00 0.00 H new ATOM 543 N ARG A 37 2.562 3.412 1.279 1.00 0.00 N ATOM 544 CA ARG A 37 3.854 4.065 1.248 1.00 0.00 C ATOM 545 C ARG A 37 3.943 5.057 0.097 1.00 0.00 C ATOM 546 O ARG A 37 3.542 4.757 -1.032 1.00 0.00 O ATOM 547 CB ARG A 37 4.972 3.024 1.135 1.00 0.00 C ATOM 548 CG ARG A 37 5.185 2.508 -0.278 1.00 0.00 C ATOM 549 CD ARG A 37 6.037 3.460 -1.101 1.00 0.00 C ATOM 550 NE ARG A 37 7.308 3.762 -0.448 1.00 0.00 N ATOM 551 CZ ARG A 37 8.432 4.019 -1.110 1.00 0.00 C ATOM 552 NH1 ARG A 37 8.441 4.011 -2.436 1.00 0.00 N ATOM 553 NH2 ARG A 37 9.549 4.285 -0.446 1.00 0.00 N ATOM 0 H ARG A 37 2.311 2.929 0.416 1.00 0.00 H new ATOM 0 HA ARG A 37 3.974 4.617 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.902 3.462 1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.741 2.183 1.789 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.665 1.530 -0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.219 2.370 -0.765 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.228 3.021 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.487 4.386 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 37 7.335 3.777 0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.584 3.807 -2.951 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.305 4.209 -2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.546 4.293 0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.410 4.482 -0.955 1.00 0.00 H new ATOM 567 N ASP A 38 4.480 6.237 0.385 1.00 0.00 N ATOM 568 CA ASP A 38 4.643 7.270 -0.631 1.00 0.00 C ATOM 569 C ASP A 38 5.727 6.856 -1.627 1.00 0.00 C ATOM 570 O ASP A 38 6.912 6.820 -1.291 1.00 0.00 O ATOM 571 CB ASP A 38 5.009 8.607 0.018 1.00 0.00 C ATOM 572 CG ASP A 38 6.472 8.679 0.409 1.00 0.00 C ATOM 573 OD1 ASP A 38 7.305 8.996 -0.465 1.00 0.00 O ATOM 574 OD2 ASP A 38 6.784 8.417 1.590 1.00 0.00 O ATOM 0 H ASP A 38 4.810 6.502 1.313 1.00 0.00 H new ATOM 0 HA ASP A 38 3.698 7.389 -1.161 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.780 9.418 -0.673 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.391 8.759 0.903 1.00 0.00 H new ATOM 663 N TYR A 45 0.233 8.215 -1.586 1.00 0.00 N ATOM 664 CA TYR A 45 0.691 7.043 -0.853 1.00 0.00 C ATOM 665 C TYR A 45 0.189 5.756 -1.497 1.00 0.00 C ATOM 666 O TYR A 45 -0.991 5.640 -1.832 1.00 0.00 O ATOM 667 CB TYR A 45 0.221 7.113 0.598 1.00 0.00 C ATOM 668 CG TYR A 45 0.698 8.344 1.330 1.00 0.00 C ATOM 669 CD1 TYR A 45 2.004 8.800 1.192 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.156 9.048 2.169 1.00 0.00 C ATOM 671 CE1 TYR A 45 2.443 9.923 1.866 1.00 0.00 C ATOM 672 CE2 TYR A 45 0.275 10.171 2.847 1.00 0.00 C ATOM 673 CZ TYR A 45 1.574 10.604 2.694 1.00 0.00 C ATOM 674 OH TYR A 45 2.008 11.722 3.370 1.00 0.00 O ATOM 0 HA TYR A 45 1.781 7.036 -0.881 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.868 7.087 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.571 6.227 1.128 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.687 8.267 0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.175 8.711 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.460 10.266 1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.403 10.707 3.494 1.00 0.00 H new ATOM 0 HH TYR A 45 1.274 12.084 3.909 1.00 0.00 H new ATOM 684 N THR A 46 1.081 4.782 -1.654 1.00 0.00 N ATOM 685 CA THR A 46 0.703 3.503 -2.244 1.00 0.00 C ATOM 686 C THR A 46 0.438 2.480 -1.147 1.00 0.00 C ATOM 687 O THR A 46 1.291 2.242 -0.294 1.00 0.00 O ATOM 688 CB THR A 46 1.796 3.001 -3.190 1.00 0.00 C ATOM 689 OG1 THR A 46 1.282 2.017 -4.069 1.00 0.00 O ATOM 690 CG2 THR A 46 2.984 2.399 -2.472 1.00 0.00 C ATOM 0 H THR A 46 2.062 4.853 -1.383 1.00 0.00 H new ATOM 0 HA THR A 46 -0.210 3.643 -2.823 1.00 0.00 H new ATOM 0 HB THR A 46 2.133 3.883 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.994 1.709 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.720 2.064 -3.203 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.434 3.149 -1.822 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.655 1.550 -1.873 1.00 0.00 H new ATOM 698 N VAL A 47 -0.754 1.890 -1.161 1.00 0.00 N ATOM 699 CA VAL A 47 -1.122 0.916 -0.147 1.00 0.00 C ATOM 700 C VAL A 47 -0.783 -0.504 -0.568 1.00 0.00 C ATOM 701 O VAL A 47 -1.178 -0.969 -1.635 1.00 0.00 O ATOM 702 CB VAL A 47 -2.618 0.995 0.214 1.00 0.00 C ATOM 703 CG1 VAL A 47 -3.323 2.050 -0.621 1.00 0.00 C ATOM 704 CG2 VAL A 47 -3.286 -0.366 0.063 1.00 0.00 C ATOM 0 H VAL A 47 -1.475 2.070 -1.860 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.533 1.170 0.735 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.699 1.291 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.377 2.086 -0.347 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.867 3.023 -0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.231 1.799 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.341 -0.284 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.192 -0.705 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.803 -1.084 0.726 1.00 0.00 H new ATOM 714 N SER A 48 -0.055 -1.182 0.306 1.00 0.00 N ATOM 715 CA SER A 48 0.355 -2.556 0.093 1.00 0.00 C ATOM 716 C SER A 48 -0.521 -3.475 0.933 1.00 0.00 C ATOM 717 O SER A 48 -0.423 -3.467 2.158 1.00 0.00 O ATOM 718 CB SER A 48 1.832 -2.726 0.482 1.00 0.00 C ATOM 719 OG SER A 48 2.208 -1.779 1.467 1.00 0.00 O ATOM 0 H SER A 48 0.269 -0.788 1.189 1.00 0.00 H new ATOM 0 HA SER A 48 0.241 -2.814 -0.960 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.999 -3.735 0.859 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.461 -2.608 -0.401 1.00 0.00 H new ATOM 0 HG SER A 48 1.980 -0.877 1.158 1.00 0.00 H new ATOM 725 N VAL A 49 -1.388 -4.243 0.266 1.00 0.00 N ATOM 726 CA VAL A 49 -2.294 -5.155 0.951 1.00 0.00 C ATOM 727 C VAL A 49 -1.920 -6.610 0.682 1.00 0.00 C ATOM 728 O VAL A 49 -1.528 -6.971 -0.435 1.00 0.00 O ATOM 729 CB VAL A 49 -3.761 -4.922 0.545 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.059 -3.432 0.423 1.00 0.00 C ATOM 731 CG2 VAL A 49 -4.076 -5.653 -0.749 1.00 0.00 C ATOM 0 H VAL A 49 -1.478 -4.247 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.194 -4.949 2.017 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.404 -5.326 1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.101 -3.292 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.878 -2.945 1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.411 -2.992 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.117 -5.478 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.426 -5.285 -1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.912 -6.722 -0.612 1.00 0.00 H new ATOM 741 N PHE A 50 -2.035 -7.439 1.720 1.00 0.00 N ATOM 742 CA PHE A 50 -1.695 -8.854 1.615 1.00 0.00 C ATOM 743 C PHE A 50 -2.844 -9.749 2.075 1.00 0.00 C ATOM 744 O PHE A 50 -3.386 -9.571 3.175 1.00 0.00 O ATOM 745 CB PHE A 50 -0.441 -9.160 2.433 1.00 0.00 C ATOM 746 CG PHE A 50 -0.206 -10.629 2.627 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.063 -11.380 3.415 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.866 -11.259 2.018 1.00 0.00 C ATOM 749 CE1 PHE A 50 -0.855 -12.733 3.593 1.00 0.00 C ATOM 750 CE2 PHE A 50 1.080 -12.613 2.194 1.00 0.00 C ATOM 751 CZ PHE A 50 0.219 -13.351 2.980 1.00 0.00 C ATOM 0 H PHE A 50 -2.361 -7.152 2.643 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.504 -9.067 0.563 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.425 -8.723 1.936 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.525 -8.680 3.408 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.903 -10.901 3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.542 -10.687 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.530 -13.308 4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.921 -13.093 1.716 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.384 -14.410 3.116 1.00 0.00 H new ATOM 761 N THR A 51 -3.194 -10.714 1.217 1.00 0.00 N ATOM 762 CA THR A 51 -4.262 -11.665 1.492 1.00 0.00 C ATOM 763 C THR A 51 -3.695 -13.041 1.835 1.00 0.00 C ATOM 764 O THR A 51 -2.726 -13.493 1.227 1.00 0.00 O ATOM 765 CB THR A 51 -5.197 -11.773 0.287 1.00 0.00 C ATOM 766 OG1 THR A 51 -5.973 -12.955 0.359 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.466 -11.783 -1.038 1.00 0.00 C ATOM 0 H THR A 51 -2.741 -10.853 0.314 1.00 0.00 H new ATOM 0 HA THR A 51 -4.825 -11.301 2.351 1.00 0.00 H new ATOM 0 HB THR A 51 -5.827 -10.884 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.566 -13.005 -0.420 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.188 -11.862 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.896 -10.860 -1.146 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.787 -12.635 -1.072 1.00 0.00 H new ATOM 775 N LYS A 52 -4.312 -13.702 2.813 1.00 0.00 N ATOM 776 CA LYS A 52 -3.881 -15.030 3.240 1.00 0.00 C ATOM 777 C LYS A 52 -4.874 -16.095 2.780 1.00 0.00 C ATOM 778 O LYS A 52 -6.076 -15.980 3.016 1.00 0.00 O ATOM 779 CB LYS A 52 -3.734 -15.076 4.762 1.00 0.00 C ATOM 780 CG LYS A 52 -4.093 -16.424 5.368 1.00 0.00 C ATOM 781 CD LYS A 52 -3.624 -16.529 6.810 1.00 0.00 C ATOM 782 CE LYS A 52 -2.212 -17.081 6.898 1.00 0.00 C ATOM 783 NZ LYS A 52 -1.549 -16.713 8.178 1.00 0.00 N ATOM 0 H LYS A 52 -5.115 -13.337 3.326 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.913 -15.237 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.706 -14.830 5.027 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.369 -14.308 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.173 -16.568 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.641 -17.221 4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.661 -15.545 7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.303 -17.173 7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.240 -18.167 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.622 -16.704 6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.686 -17.281 8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.300 -15.703 8.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.197 -16.897 8.970 1.00 0.00 H new ATOM 797 N ALA A 53 -4.364 -17.131 2.119 1.00 0.00 N ATOM 798 CA ALA A 53 -5.205 -18.211 1.624 1.00 0.00 C ATOM 799 C ALA A 53 -5.060 -19.469 2.472 1.00 0.00 C ATOM 800 O ALA A 53 -4.019 -19.703 3.086 1.00 0.00 O ATOM 801 CB ALA A 53 -4.890 -18.516 0.169 1.00 0.00 C ATOM 0 H ALA A 53 -3.371 -17.243 1.915 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.240 -17.877 1.696 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.530 -19.326 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.068 -17.627 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.846 -18.814 0.078 1.00 0.00 H new ATOM 885 N PRO A 59 -2.959 -16.727 -1.516 1.00 0.00 N ATOM 886 CA PRO A 59 -3.386 -15.465 -2.111 1.00 0.00 C ATOM 887 C PRO A 59 -2.208 -14.631 -2.601 1.00 0.00 C ATOM 888 O PRO A 59 -1.049 -14.982 -2.379 1.00 0.00 O ATOM 889 CB PRO A 59 -4.103 -14.743 -0.957 1.00 0.00 C ATOM 890 CG PRO A 59 -3.976 -15.639 0.240 1.00 0.00 C ATOM 891 CD PRO A 59 -2.871 -16.610 -0.064 1.00 0.00 C ATOM 0 HA PRO A 59 -4.014 -15.624 -2.987 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.650 -13.770 -0.765 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.150 -14.564 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.747 -15.060 1.135 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.912 -16.165 0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -1.899 -16.235 0.257 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -3.022 -17.569 0.432 1.00 0.00 H new ATOM 899 N CYS A 60 -2.515 -13.523 -3.265 1.00 0.00 N ATOM 900 CA CYS A 60 -1.487 -12.635 -3.785 1.00 0.00 C ATOM 901 C CYS A 60 -1.560 -11.264 -3.121 1.00 0.00 C ATOM 902 O CYS A 60 -2.542 -10.540 -3.279 1.00 0.00 O ATOM 903 CB CYS A 60 -1.629 -12.487 -5.301 1.00 0.00 C ATOM 904 SG CYS A 60 -0.968 -13.880 -6.245 1.00 0.00 S ATOM 0 H CYS A 60 -3.470 -13.219 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.516 -13.076 -3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.684 -12.364 -5.546 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.121 -11.575 -5.615 1.00 0.00 H new ATOM 0 HG CYS A 60 -1.137 -13.662 -7.515 1.00 0.00 H new ATOM 910 N ILE A 61 -0.510 -10.910 -2.392 1.00 0.00 N ATOM 911 CA ILE A 61 -0.448 -9.618 -1.718 1.00 0.00 C ATOM 912 C ILE A 61 -0.105 -8.531 -2.732 1.00 0.00 C ATOM 913 O ILE A 61 0.786 -8.715 -3.562 1.00 0.00 O ATOM 914 CB ILE A 61 0.600 -9.637 -0.589 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.393 -8.332 -0.556 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.531 -10.827 -0.765 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.240 -8.178 0.690 1.00 0.00 C ATOM 0 H ILE A 61 0.311 -11.499 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.421 -9.409 -1.274 1.00 0.00 H new ATOM 0 HB ILE A 61 0.080 -9.734 0.364 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.038 -8.284 -1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.701 -7.492 -0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.269 -10.833 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.952 -11.750 -0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.040 -10.752 -1.726 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.777 -7.230 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.598 -8.194 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.955 -8.998 0.747 1.00 0.00 H new ATOM 929 N LYS A 62 -0.827 -7.414 -2.692 1.00 0.00 N ATOM 930 CA LYS A 62 -0.582 -6.340 -3.655 1.00 0.00 C ATOM 931 C LYS A 62 -0.748 -4.953 -3.046 1.00 0.00 C ATOM 932 O LYS A 62 -1.497 -4.760 -2.089 1.00 0.00 O ATOM 933 CB LYS A 62 -1.520 -6.491 -4.853 1.00 0.00 C ATOM 934 CG LYS A 62 -0.979 -5.869 -6.131 1.00 0.00 C ATOM 935 CD LYS A 62 -1.959 -6.024 -7.283 1.00 0.00 C ATOM 936 CE LYS A 62 -3.379 -6.232 -6.783 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.862 -5.073 -5.984 1.00 0.00 N ATOM 0 H LYS A 62 -1.571 -7.229 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 62 0.456 -6.430 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.708 -7.551 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.479 -6.032 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.776 -4.811 -5.965 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.031 -6.339 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.921 -5.137 -7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.663 -6.870 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.044 -6.389 -7.633 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.421 -7.135 -6.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.306 -5.416 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.059 -4.456 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.559 -4.536 -6.538 1.00 0.00 H new ATOM 951 N HIS A 63 -0.041 -3.990 -3.632 1.00 0.00 N ATOM 952 CA HIS A 63 -0.090 -2.605 -3.186 1.00 0.00 C ATOM 953 C HIS A 63 -0.582 -1.690 -4.305 1.00 0.00 C ATOM 954 O HIS A 63 -0.438 -2.010 -5.486 1.00 0.00 O ATOM 955 CB HIS A 63 1.298 -2.157 -2.723 1.00 0.00 C ATOM 956 CG HIS A 63 2.310 -3.260 -2.745 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.418 -4.225 -1.768 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.269 -3.544 -3.660 1.00 0.00 C ATOM 959 CE1 HIS A 63 3.418 -5.049 -2.112 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.966 -4.680 -3.255 1.00 0.00 N ATOM 0 H HIS A 63 0.579 -4.149 -4.426 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.790 -2.538 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.642 -1.344 -3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.226 -1.759 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.462 -2.979 -4.560 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.734 -5.903 -1.530 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.740 -5.133 -3.741 1.00 0.00 H new ATOM 968 N TYR A 64 -1.152 -0.547 -3.933 1.00 0.00 N ATOM 969 CA TYR A 64 -1.647 0.410 -4.919 1.00 0.00 C ATOM 970 C TYR A 64 -1.287 1.840 -4.529 1.00 0.00 C ATOM 971 O TYR A 64 -1.504 2.258 -3.389 1.00 0.00 O ATOM 972 CB TYR A 64 -3.164 0.292 -5.084 1.00 0.00 C ATOM 973 CG TYR A 64 -3.806 -0.724 -4.169 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.724 -2.081 -4.446 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.500 -0.325 -3.032 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.315 -3.014 -3.616 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.091 -1.251 -2.198 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.996 -2.595 -2.493 1.00 0.00 C ATOM 979 OH TYR A 64 -5.588 -3.522 -1.667 1.00 0.00 O ATOM 0 H TYR A 64 -1.282 -0.262 -2.962 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.167 0.173 -5.868 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.616 1.267 -4.901 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.387 0.027 -6.117 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.190 -2.413 -5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.577 0.727 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.244 -4.067 -3.846 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.626 -0.925 -1.318 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.658 -4.380 -2.135 1.00 0.00 H new ATOM 989 N HIS A 65 -0.747 2.587 -5.486 1.00 0.00 N ATOM 990 CA HIS A 65 -0.370 3.973 -5.254 1.00 0.00 C ATOM 991 C HIS A 65 -1.592 4.876 -5.364 1.00 0.00 C ATOM 992 O HIS A 65 -2.155 5.042 -6.446 1.00 0.00 O ATOM 993 CB HIS A 65 0.694 4.416 -6.259 1.00 0.00 C ATOM 994 CG HIS A 65 1.169 5.816 -6.039 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.178 6.787 -7.014 1.00 0.00 N ATOM 996 CD2 HIS A 65 1.653 6.408 -4.919 1.00 0.00 C ATOM 997 CE1 HIS A 65 1.657 7.913 -6.469 1.00 0.00 C ATOM 998 NE2 HIS A 65 1.959 7.736 -5.197 1.00 0.00 N ATOM 0 H HIS A 65 -0.561 2.253 -6.432 1.00 0.00 H new ATOM 0 HA HIS A 65 0.043 4.052 -4.249 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.545 3.737 -6.199 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.289 4.331 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.781 5.924 -3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.780 8.844 -7.002 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.338 8.429 -4.552 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.002 5.453 -4.241 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.164 6.330 -4.223 1.00 0.00 C ATOM 1008 C ILE A 66 -2.973 7.501 -5.181 1.00 0.00 C ATOM 1009 O ILE A 66 -2.112 8.352 -4.972 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.445 6.870 -2.808 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.523 5.721 -1.799 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.734 7.677 -2.797 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.328 4.350 -2.416 1.00 0.00 C ATOM 0 H ILE A 66 -1.549 5.330 -3.335 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.019 5.735 -4.544 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.623 7.525 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.766 5.874 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.493 5.751 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.920 8.052 -1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.644 8.516 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.564 7.041 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.397 3.588 -1.639 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.100 4.175 -3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.347 4.300 -2.888 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.783 7.536 -6.232 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.702 8.604 -7.220 1.00 0.00 C ATOM 1027 C LYS A 67 -4.558 9.790 -6.796 1.00 0.00 C ATOM 1028 O LYS A 67 -5.695 9.617 -6.362 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.151 8.095 -8.590 1.00 0.00 C ATOM 1030 CG LYS A 67 -3.412 6.848 -9.047 1.00 0.00 C ATOM 1031 CD LYS A 67 -4.137 6.160 -10.194 1.00 0.00 C ATOM 1032 CE LYS A 67 -3.408 4.902 -10.638 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.350 3.858 -11.126 1.00 0.00 N ATOM 0 H LYS A 67 -4.502 6.838 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.664 8.931 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.220 7.883 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.005 8.884 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.403 7.116 -9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.312 6.156 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.150 5.905 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.224 6.847 -11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.701 5.152 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -2.827 4.506 -9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.814 3.016 -11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.008 3.601 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.887 4.226 -11.937 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.004 10.991 -6.919 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.718 12.206 -6.541 1.00 0.00 C ATOM 1049 C GLU A 68 -5.291 12.913 -7.766 1.00 0.00 C ATOM 1050 O GLU A 68 -4.803 12.736 -8.882 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.786 13.154 -5.785 1.00 0.00 C ATOM 1052 CG GLU A 68 -2.623 12.448 -5.106 1.00 0.00 C ATOM 1053 CD GLU A 68 -1.291 12.755 -5.764 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.262 12.901 -7.004 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -0.279 12.850 -5.039 1.00 0.00 O ATOM 0 H GLU A 68 -3.062 11.150 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.545 11.919 -5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.394 13.896 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.362 13.694 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.584 12.746 -4.058 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.794 11.372 -5.126 1.00 0.00 H new ATOM 1062 N THR A 69 -6.327 13.717 -7.547 1.00 0.00 N ATOM 1063 CA THR A 69 -6.964 14.455 -8.626 1.00 0.00 C ATOM 1064 C THR A 69 -7.229 15.899 -8.217 1.00 0.00 C ATOM 1065 O THR A 69 -6.630 16.405 -7.269 1.00 0.00 O ATOM 1066 CB THR A 69 -8.268 13.777 -9.046 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.383 14.574 -8.686 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.459 12.410 -8.425 1.00 0.00 C ATOM 0 H THR A 69 -6.742 13.872 -6.628 1.00 0.00 H new ATOM 0 HA THR A 69 -6.283 14.459 -9.477 1.00 0.00 H new ATOM 0 HB THR A 69 -8.199 13.659 -10.127 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.209 14.126 -8.964 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.403 11.985 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.639 11.757 -8.723 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.472 12.502 -7.339 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.431 13.002 -5.037 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.072 13.490 -4.844 1.00 0.00 C ATOM 1151 C ARG A 75 -8.058 12.374 -5.072 1.00 0.00 C ATOM 1152 O ARG A 75 -7.373 12.350 -6.093 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.913 14.070 -3.443 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.207 15.412 -3.425 1.00 0.00 C ATOM 1155 CD ARG A 75 -8.590 16.216 -2.199 1.00 0.00 C ATOM 1156 NE ARG A 75 -8.562 15.403 -0.988 1.00 0.00 N ATOM 1157 CZ ARG A 75 -8.394 15.913 0.228 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -8.254 17.223 0.386 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -8.363 15.119 1.288 1.00 0.00 N ATOM 0 HA ARG A 75 -8.884 14.277 -5.574 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.898 14.179 -2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.354 13.365 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -7.128 15.258 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.462 15.972 -4.325 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.906 17.057 -2.088 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -9.588 16.632 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.677 14.394 -1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.275 17.840 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.125 17.613 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.468 14.111 1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.234 15.516 2.219 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.974 11.437 -4.129 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.050 10.321 -4.261 1.00 0.00 C ATOM 1175 C TYR A 76 -7.786 9.093 -4.751 1.00 0.00 C ATOM 1176 O TYR A 76 -8.985 8.950 -4.532 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.364 9.974 -2.941 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.398 11.054 -1.895 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.666 12.371 -2.225 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.158 10.738 -0.569 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -6.698 13.351 -1.253 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -6.186 11.706 0.410 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.458 13.015 0.065 1.00 0.00 C ATOM 1184 OH TYR A 76 -6.482 13.987 1.037 1.00 0.00 O ATOM 0 H TYR A 76 -8.531 11.431 -3.274 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.288 10.629 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.833 9.079 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.323 9.723 -3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.852 12.635 -3.255 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.945 9.715 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.910 14.375 -1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -5.997 11.443 1.440 1.00 0.00 H new ATOM 0 HH TYR A 76 -6.294 13.582 1.909 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.070 8.200 -5.407 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.683 6.981 -5.905 1.00 0.00 C ATOM 1196 C TYR A 77 -6.670 5.874 -6.132 1.00 0.00 C ATOM 1197 O TYR A 77 -5.614 6.093 -6.725 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.417 7.251 -7.220 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.541 7.851 -8.298 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.113 9.170 -8.212 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.145 7.099 -9.404 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.318 9.727 -9.196 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -6.348 7.652 -10.389 1.00 0.00 C ATOM 1204 CZ TYR A 77 -5.939 8.964 -10.281 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.146 9.516 -11.261 1.00 0.00 O ATOM 0 H TYR A 77 -6.074 8.292 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.385 6.652 -5.139 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.840 6.316 -7.588 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.252 7.924 -7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.406 9.770 -7.363 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.465 6.071 -9.492 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.995 10.754 -9.116 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.047 7.059 -11.240 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.969 8.846 -11.954 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.036 4.666 -5.724 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.193 3.512 -5.957 1.00 0.00 C ATOM 1217 C VAL A 78 -6.944 2.611 -6.926 1.00 0.00 C ATOM 1218 O VAL A 78 -7.155 1.421 -6.699 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.862 2.763 -4.646 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -6.258 3.604 -3.441 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.540 1.403 -4.594 1.00 0.00 C ATOM 0 H VAL A 78 -7.907 4.465 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.234 3.823 -6.371 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.785 2.596 -4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.019 3.063 -2.525 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.711 4.546 -3.459 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.329 3.806 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.285 0.905 -3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.621 1.533 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.201 0.795 -5.433 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.353 3.244 -8.016 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.104 2.601 -9.078 1.00 0.00 C ATOM 1233 C ALA A 79 -8.488 3.647 -10.121 1.00 0.00 C ATOM 1234 O ALA A 79 -8.466 4.840 -9.839 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.334 1.909 -8.520 1.00 0.00 C ATOM 0 H ALA A 79 -7.169 4.232 -8.187 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.486 1.838 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.884 1.433 -9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.029 1.153 -7.796 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.974 2.643 -8.030 1.00 0.00 H new ATOM 1241 N GLU A 80 -8.835 3.209 -11.318 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.208 4.135 -12.377 1.00 0.00 C ATOM 1243 C GLU A 80 -10.703 4.413 -12.377 1.00 0.00 C ATOM 1244 O GLU A 80 -11.414 4.100 -13.331 1.00 0.00 O ATOM 1245 CB GLU A 80 -8.763 3.606 -13.741 1.00 0.00 C ATOM 1246 CG GLU A 80 -7.971 2.311 -13.659 1.00 0.00 C ATOM 1247 CD GLU A 80 -7.117 2.073 -14.888 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -7.432 2.650 -15.950 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -6.134 1.309 -14.789 1.00 0.00 O ATOM 0 H GLU A 80 -8.867 2.224 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.695 5.077 -12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.643 3.446 -14.365 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.155 4.364 -14.235 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.332 2.335 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.659 1.476 -13.532 1.00 0.00 H new ATOM 1256 N LYS A 81 -11.157 5.020 -11.296 1.00 0.00 N ATOM 1257 CA LYS A 81 -12.558 5.378 -11.134 1.00 0.00 C ATOM 1258 C LYS A 81 -12.873 5.585 -9.658 1.00 0.00 C ATOM 1259 O LYS A 81 -13.785 6.332 -9.299 1.00 0.00 O ATOM 1260 CB LYS A 81 -13.455 4.295 -11.737 1.00 0.00 C ATOM 1261 CG LYS A 81 -14.853 4.261 -11.149 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.024 3.066 -10.231 1.00 0.00 C ATOM 1263 CE LYS A 81 -14.233 3.242 -8.952 1.00 0.00 C ATOM 1264 NZ LYS A 81 -14.852 4.246 -8.046 1.00 0.00 N ATOM 0 H LYS A 81 -10.567 5.279 -10.505 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.752 6.311 -11.663 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.527 4.454 -12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.985 3.323 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.041 5.180 -10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.589 4.216 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.080 2.934 -9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.697 2.161 -10.743 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.161 2.285 -8.436 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.216 3.551 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.490 4.112 -7.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.615 5.204 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.885 4.125 -8.048 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.091 4.925 -8.812 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.248 5.028 -7.366 1.00 0.00 C ATOM 1280 C TYR A 82 -11.404 6.180 -6.824 1.00 0.00 C ATOM 1281 O TYR A 82 -10.248 5.986 -6.451 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.823 3.722 -6.684 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.316 2.468 -7.373 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -11.888 2.132 -8.654 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.208 1.614 -6.737 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.338 0.984 -9.278 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.660 0.464 -7.353 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.224 0.153 -8.623 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.673 -0.990 -9.241 1.00 0.00 O ATOM 0 H TYR A 82 -11.335 4.307 -9.106 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.300 5.217 -7.150 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.735 3.690 -6.633 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.190 3.726 -5.658 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.193 2.779 -9.169 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.554 1.854 -5.743 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -11.998 0.738 -10.273 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.352 -0.189 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.290 -1.464 -8.645 1.00 0.00 H new ATOM 1299 N VAL A 83 -11.984 7.375 -6.781 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.280 8.546 -6.289 1.00 0.00 C ATOM 1301 C VAL A 83 -11.916 9.053 -5.005 1.00 0.00 C ATOM 1302 O VAL A 83 -13.138 9.133 -4.891 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.264 9.670 -7.340 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.174 10.683 -7.022 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.071 9.092 -8.736 1.00 0.00 C ATOM 0 H VAL A 83 -12.942 7.555 -7.082 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.251 8.249 -6.085 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.225 10.183 -7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.178 11.470 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.358 11.120 -6.040 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.204 10.186 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.062 9.901 -9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.124 8.554 -8.779 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.888 8.407 -8.963 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.076 9.377 -4.035 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.543 9.857 -2.751 1.00 0.00 C ATOM 1317 C PHE A 84 -10.567 10.872 -2.167 1.00 0.00 C ATOM 1318 O PHE A 84 -9.352 10.737 -2.318 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.707 8.678 -1.797 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.632 7.341 -2.482 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -10.559 7.030 -3.299 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -12.632 6.399 -2.307 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -10.481 5.804 -3.929 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -12.558 5.171 -2.935 1.00 0.00 C ATOM 1325 CZ PHE A 84 -11.482 4.872 -3.748 1.00 0.00 C ATOM 0 H PHE A 84 -10.061 9.314 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.505 10.350 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.933 8.730 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.667 8.763 -1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.773 7.756 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -13.477 6.627 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.637 5.575 -4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.343 4.443 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 84 -11.425 3.912 -4.240 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.100 11.880 -1.492 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.277 12.906 -0.878 1.00 0.00 C ATOM 1337 C ASP A 85 -9.739 12.429 0.461 1.00 0.00 C ATOM 1338 O ASP A 85 -9.428 13.227 1.342 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.072 14.201 -0.705 1.00 0.00 C ATOM 1340 CG ASP A 85 -11.304 14.549 0.753 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -11.902 13.722 1.473 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.887 15.649 1.173 1.00 0.00 O ATOM 0 H ASP A 85 -12.103 12.007 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.432 13.107 -1.537 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.539 15.019 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.033 14.104 -1.210 1.00 0.00 H new ATOM 1347 N SER A 86 -9.640 11.119 0.610 1.00 0.00 N ATOM 1348 CA SER A 86 -9.147 10.529 1.842 1.00 0.00 C ATOM 1349 C SER A 86 -8.608 9.132 1.585 1.00 0.00 C ATOM 1350 O SER A 86 -9.350 8.229 1.196 1.00 0.00 O ATOM 1351 CB SER A 86 -10.255 10.480 2.895 1.00 0.00 C ATOM 1352 OG SER A 86 -10.194 11.607 3.753 1.00 0.00 O ATOM 0 H SER A 86 -9.895 10.442 -0.109 1.00 0.00 H new ATOM 0 HA SER A 86 -8.336 11.153 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.227 10.446 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.163 9.566 3.482 1.00 0.00 H new ATOM 0 HG SER A 86 -9.941 12.399 3.235 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.314 8.954 1.801 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.690 7.662 1.585 1.00 0.00 C ATOM 1360 C ILE A 87 -7.351 6.604 2.459 1.00 0.00 C ATOM 1361 O ILE A 87 -7.642 5.495 2.005 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.180 7.712 1.880 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.585 9.041 1.407 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.476 6.551 1.204 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.915 8.953 0.053 1.00 0.00 C ATOM 0 H ILE A 87 -6.680 9.685 2.124 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.824 7.400 0.536 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.034 7.632 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.376 9.790 1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.858 9.387 2.142 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.409 6.597 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.882 5.611 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.631 6.609 0.127 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.516 9.930 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.102 8.228 0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.644 8.637 -0.694 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.630 6.945 3.725 1.00 0.00 N ATOM 1378 CA PRO A 88 -8.289 6.034 4.659 1.00 0.00 C ATOM 1379 C PRO A 88 -9.720 5.759 4.223 1.00 0.00 C ATOM 1380 O PRO A 88 -10.153 4.608 4.167 1.00 0.00 O ATOM 1381 CB PRO A 88 -8.265 6.786 5.996 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.317 7.923 5.797 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.352 8.249 4.334 1.00 0.00 C ATOM 0 HA PRO A 88 -7.796 5.064 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.259 7.146 6.262 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.934 6.136 6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.613 8.785 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.310 7.649 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.126 8.980 4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.406 8.665 3.988 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.433 6.823 3.867 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.797 6.682 3.383 1.00 0.00 C ATOM 1393 C LEU A 89 -11.735 5.886 2.104 1.00 0.00 C ATOM 1394 O LEU A 89 -12.490 4.935 1.892 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.439 8.048 3.139 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.905 8.315 1.706 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.723 8.686 0.827 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.642 7.110 1.138 1.00 0.00 C ATOM 0 H LEU A 89 -10.091 7.783 3.905 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.412 6.173 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.296 8.151 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.723 8.821 3.419 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.601 9.154 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -12.070 8.873 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.246 9.584 1.219 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.004 7.867 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.962 7.327 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.978 6.246 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.515 6.894 1.754 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.775 6.264 1.280 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.530 5.577 0.036 1.00 0.00 C ATOM 1412 C LEU A 90 -10.223 4.128 0.381 1.00 0.00 C ATOM 1413 O LEU A 90 -10.787 3.190 -0.203 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.370 6.252 -0.694 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.370 5.318 -1.354 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.744 5.995 -2.564 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.304 4.910 -0.351 1.00 0.00 C ATOM 0 H LEU A 90 -10.150 7.051 1.457 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.392 5.615 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.781 6.912 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.836 6.882 0.017 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.886 4.420 -1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.029 5.318 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.523 6.250 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.231 6.903 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.590 4.240 -0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.784 5.798 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.772 4.399 0.490 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.379 3.954 1.401 1.00 0.00 N ATOM 1430 CA ILE A 91 -9.063 2.627 1.889 1.00 0.00 C ATOM 1431 C ILE A 91 -10.360 1.979 2.335 1.00 0.00 C ATOM 1432 O ILE A 91 -10.625 0.813 2.050 1.00 0.00 O ATOM 1433 CB ILE A 91 -8.115 2.645 3.103 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.672 2.964 2.706 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.177 1.305 3.812 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.201 2.252 1.460 1.00 0.00 C ATOM 0 H ILE A 91 -8.910 4.713 1.895 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.568 2.086 1.083 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.446 3.438 3.773 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.578 4.039 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.013 2.700 3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.506 1.317 4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.197 1.119 4.150 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.873 0.515 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.169 2.533 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.260 1.174 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.834 2.534 0.619 1.00 0.00 H new ATOM 1448 N GLN A 92 -11.180 2.773 3.031 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.467 2.306 3.513 1.00 0.00 C ATOM 1450 C GLN A 92 -13.344 1.907 2.341 1.00 0.00 C ATOM 1451 O GLN A 92 -14.016 0.877 2.368 1.00 0.00 O ATOM 1452 CB GLN A 92 -13.157 3.392 4.341 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.592 3.661 3.918 1.00 0.00 C ATOM 1454 CD GLN A 92 -15.252 4.741 4.751 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.938 4.915 5.928 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -16.174 5.478 4.140 1.00 0.00 N ATOM 0 H GLN A 92 -10.968 3.742 3.269 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.306 1.437 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.145 3.099 5.391 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.584 4.316 4.262 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.608 3.956 2.869 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.170 2.740 4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.404 5.300 3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.652 6.222 4.649 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.318 2.729 1.302 1.00 0.00 N ATOM 1466 CA TYR A 93 -14.097 2.461 0.108 1.00 0.00 C ATOM 1467 C TYR A 93 -13.540 1.251 -0.619 1.00 0.00 C ATOM 1468 O TYR A 93 -14.286 0.447 -1.182 1.00 0.00 O ATOM 1469 CB TYR A 93 -14.107 3.672 -0.825 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.992 3.481 -2.037 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.613 2.631 -3.069 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.206 4.147 -2.148 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.419 2.451 -4.177 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.018 3.971 -3.252 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.621 3.122 -4.263 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.427 2.945 -5.365 1.00 0.00 O ATOM 0 H TYR A 93 -12.766 3.586 1.264 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.123 2.256 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.445 4.547 -0.270 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.089 3.877 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.673 2.103 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.520 4.813 -1.358 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.109 1.788 -4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -17.959 4.496 -3.323 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.237 3.488 -5.269 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.219 1.125 -0.602 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.552 0.010 -1.261 1.00 0.00 C ATOM 1488 C HIS A 94 -11.836 -1.312 -0.557 1.00 0.00 C ATOM 1489 O HIS A 94 -11.193 -2.319 -0.842 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.046 0.251 -1.325 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.664 1.237 -2.375 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.728 1.161 -3.725 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.154 2.477 -2.082 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.256 2.350 -4.218 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.916 3.128 -3.209 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.589 1.781 -0.139 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.950 -0.055 -2.274 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.698 0.606 -0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.539 -0.694 -1.519 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.064 0.369 -4.272 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.975 2.861 -1.088 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.176 2.608 -5.264 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.803 -1.306 0.355 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.167 -2.517 1.086 1.00 0.00 C ATOM 1506 C GLN A 95 -14.657 -2.527 1.406 1.00 0.00 C ATOM 1507 O GLN A 95 -15.303 -3.575 1.377 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.353 -2.637 2.374 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.375 -1.493 2.584 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.780 -0.589 3.728 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.083 -0.417 3.906 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -10.933 -0.054 4.445 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.347 -0.480 0.606 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.942 -3.373 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.036 -2.681 3.223 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.802 -3.577 2.359 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.382 -1.899 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.305 -0.906 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.941 -0.216 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.224 0.550 5.214 1.00 0.00 H new ATOM 1521 N TYR A 96 -15.194 -1.354 1.705 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.606 -1.217 2.025 1.00 0.00 C ATOM 1523 C TYR A 96 -17.448 -1.203 0.754 1.00 0.00 C ATOM 1524 O TYR A 96 -18.674 -1.103 0.809 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.847 0.063 2.827 1.00 0.00 C ATOM 1526 CG TYR A 96 -18.234 0.639 2.649 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -19.363 -0.111 2.960 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.414 1.931 2.172 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -20.632 0.413 2.797 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.680 2.460 2.008 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.785 1.698 2.322 1.00 0.00 C ATOM 1532 OH TYR A 96 -22.047 2.222 2.161 1.00 0.00 O ATOM 0 H TYR A 96 -14.670 -0.479 1.733 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.904 -2.074 2.629 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.682 -0.145 3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -16.112 0.811 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.247 -1.117 3.334 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.551 2.532 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -21.500 -0.182 3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.803 3.466 1.635 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.980 3.138 1.819 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.779 -1.301 -0.390 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.455 -1.300 -1.677 1.00 0.00 C ATOM 1544 C ASN A 97 -16.933 -2.423 -2.569 1.00 0.00 C ATOM 1545 O ASN A 97 -16.302 -3.366 -2.092 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.271 0.050 -2.370 1.00 0.00 C ATOM 1547 CG ASN A 97 -17.545 1.215 -1.440 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -16.659 2.021 -1.159 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.776 1.305 -0.953 1.00 0.00 N ATOM 0 H ASN A 97 -15.764 -1.382 -0.449 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.518 -1.468 -1.502 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.253 0.124 -2.752 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.939 0.109 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.019 2.066 -0.318 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.479 0.614 -1.213 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.202 -2.315 -3.865 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.753 -3.327 -4.804 1.00 0.00 C ATOM 1558 C GLY A 98 -15.418 -2.984 -5.434 1.00 0.00 C ATOM 1559 O GLY A 98 -15.292 -2.957 -6.659 1.00 0.00 O ATOM 0 H GLY A 98 -17.723 -1.544 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.673 -4.285 -4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.501 -3.448 -5.588 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.420 -2.724 -4.597 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.102 -2.386 -5.098 1.00 0.00 C ATOM 1565 C GLY A 99 -12.557 -3.431 -6.051 1.00 0.00 C ATOM 1566 O GLY A 99 -13.299 -4.280 -6.543 1.00 0.00 O ATOM 0 H GLY A 99 -14.501 -2.741 -3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.146 -1.423 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.416 -2.272 -4.259 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.254 -3.372 -6.311 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.632 -4.325 -7.211 1.00 0.00 C ATOM 1572 C GLY A 100 -9.345 -4.896 -6.649 1.00 0.00 C ATOM 1573 O GLY A 100 -9.076 -6.090 -6.784 1.00 0.00 O ATOM 0 H GLY A 100 -10.618 -2.680 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.329 -5.138 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.425 -3.839 -8.164 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.546 -4.040 -6.018 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.279 -4.462 -5.433 1.00 0.00 C ATOM 1579 C LEU A 101 -7.423 -5.804 -4.722 1.00 0.00 C ATOM 1580 O LEU A 101 -8.497 -6.406 -4.722 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.773 -3.406 -4.449 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.852 -2.484 -3.879 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.894 -2.587 -2.362 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.605 -1.046 -4.310 1.00 0.00 C ATOM 0 H LEU A 101 -8.755 -3.049 -5.899 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.557 -4.576 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.274 -3.911 -3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.022 -2.795 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.818 -2.800 -4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.667 -1.924 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.118 -3.614 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.927 -2.297 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.382 -0.403 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.631 -0.719 -3.946 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.625 -0.984 -5.398 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.334 -6.267 -4.115 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.343 -7.537 -3.399 1.00 0.00 C ATOM 1598 C VAL A 102 -7.406 -7.543 -2.307 1.00 0.00 C ATOM 1599 O VAL A 102 -7.369 -6.725 -1.387 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.971 -7.836 -2.767 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -5.123 -8.225 -1.304 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.256 -8.929 -3.546 1.00 0.00 C ATOM 0 H VAL A 102 -5.436 -5.782 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.573 -8.311 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.366 -6.930 -2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -4.141 -8.432 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.591 -7.407 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.746 -9.116 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.288 -9.129 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.858 -9.838 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.109 -8.605 -4.576 1.00 0.00 H new ATOM 1612 N THR A 103 -8.352 -8.467 -2.417 1.00 0.00 N ATOM 1613 CA THR A 103 -9.427 -8.576 -1.439 1.00 0.00 C ATOM 1614 C THR A 103 -9.696 -7.230 -0.778 1.00 0.00 C ATOM 1615 O THR A 103 -10.031 -7.163 0.404 1.00 0.00 O ATOM 1616 CB THR A 103 -9.082 -9.622 -0.379 1.00 0.00 C ATOM 1617 OG1 THR A 103 -9.805 -9.384 0.815 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.611 -9.653 -0.026 1.00 0.00 C ATOM 0 H THR A 103 -8.397 -9.151 -3.172 1.00 0.00 H new ATOM 0 HA THR A 103 -10.330 -8.890 -1.963 1.00 0.00 H new ATOM 0 HB THR A 103 -9.354 -10.581 -0.821 1.00 0.00 H new ATOM 0 HG1 THR A 103 -10.444 -8.655 0.671 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.435 -10.417 0.731 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.028 -9.884 -0.917 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.309 -8.680 0.363 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.551 -6.162 -1.554 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.785 -4.814 -1.049 1.00 0.00 C ATOM 1628 C ARG A 104 -9.077 -4.599 0.287 1.00 0.00 C ATOM 1629 O ARG A 104 -8.664 -5.560 0.938 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.287 -4.573 -0.885 1.00 0.00 C ATOM 1631 CG ARG A 104 -12.106 -5.853 -0.849 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.557 -5.595 -1.226 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.411 -6.743 -0.930 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.648 -6.636 -0.455 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -16.171 -5.439 -0.225 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -16.362 -7.726 -0.210 1.00 0.00 N ATOM 0 H ARG A 104 -9.273 -6.203 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.379 -4.104 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.459 -4.015 0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.639 -3.949 -1.707 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.675 -6.582 -1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -12.060 -6.288 0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.923 -4.722 -0.685 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.620 -5.361 -2.289 1.00 0.00 H new ATOM 0 HE ARG A 104 -14.038 -7.677 -1.097 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.624 -4.599 -0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -17.120 -5.359 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.962 -8.648 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.311 -7.643 0.154 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.946 -3.339 0.700 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.295 -3.025 1.969 1.00 0.00 C ATOM 1652 C LEU A 105 -8.984 -3.788 3.095 1.00 0.00 C ATOM 1653 O LEU A 105 -10.148 -3.537 3.406 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.335 -1.518 2.244 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.303 -0.683 1.481 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.899 -0.948 2.004 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.382 -0.972 -0.010 1.00 0.00 C ATOM 0 H LEU A 105 -9.279 -2.527 0.180 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.250 -3.328 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.330 -1.147 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.189 -1.357 3.312 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.531 0.371 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.183 -0.344 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.849 -0.687 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.657 -2.004 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.642 -0.370 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.183 -2.029 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.378 -0.724 -0.376 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.277 -4.742 3.684 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.847 -5.553 4.744 1.00 0.00 C ATOM 1671 C ARG A 106 -8.212 -5.262 6.100 1.00 0.00 C ATOM 1672 O ARG A 106 -8.854 -4.703 6.990 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.694 -7.036 4.407 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.988 -7.695 3.962 1.00 0.00 C ATOM 1675 CD ARG A 106 -10.212 -9.021 4.671 1.00 0.00 C ATOM 1676 NE ARG A 106 -11.559 -9.126 5.224 1.00 0.00 N ATOM 1677 CZ ARG A 106 -12.663 -8.896 4.521 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.579 -8.551 3.243 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -13.853 -9.012 5.095 1.00 0.00 N ATOM 0 H ARG A 106 -7.312 -4.971 3.445 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.904 -5.296 4.816 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.950 -7.146 3.618 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.311 -7.561 5.282 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.826 -7.027 4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.963 -7.857 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.043 -9.839 3.971 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.482 -9.131 5.473 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.658 -9.391 6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.666 -8.462 2.798 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -13.428 -8.375 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.922 -9.278 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.700 -8.835 4.554 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.961 -5.674 6.264 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.259 -5.485 7.528 1.00 0.00 C ATOM 1695 C TYR A 107 -5.044 -4.569 7.397 1.00 0.00 C ATOM 1696 O TYR A 107 -4.157 -4.791 6.566 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.814 -6.841 8.080 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.070 -6.747 9.393 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.722 -6.359 10.556 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.715 -7.043 9.468 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -5.045 -6.271 11.758 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -3.031 -6.958 10.665 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.700 -6.572 11.808 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.022 -6.485 13.001 1.00 0.00 O ATOM 0 H TYR A 107 -6.413 -6.140 5.541 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.958 -5.004 8.212 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.691 -7.475 8.214 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.176 -7.331 7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.775 -6.122 10.521 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.187 -7.345 8.575 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.567 -5.968 12.654 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.978 -7.193 10.706 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.084 -6.732 12.863 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.987 -3.532 8.243 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.885 -2.579 8.271 1.00 0.00 C ATOM 1716 C PRO A 108 -2.728 -3.106 9.114 1.00 0.00 C ATOM 1717 O PRO A 108 -2.695 -2.910 10.328 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.501 -1.336 8.938 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.909 -1.703 9.291 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.984 -3.203 9.257 1.00 0.00 C ATOM 0 HA PRO A 108 -3.477 -2.382 7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.938 -1.053 9.828 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.480 -0.481 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.172 -1.324 10.279 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.613 -1.264 8.584 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.745 -3.646 10.224 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.978 -3.556 8.982 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.791 -3.796 8.473 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.653 -4.368 9.178 1.00 0.00 C ATOM 1730 C VAL A 109 0.486 -3.365 9.334 1.00 0.00 C ATOM 1731 O VAL A 109 1.648 -3.751 9.459 1.00 0.00 O ATOM 1732 CB VAL A 109 -0.121 -5.620 8.456 1.00 0.00 C ATOM 1733 CG1 VAL A 109 0.185 -5.307 6.998 1.00 0.00 C ATOM 1734 CG2 VAL A 109 1.110 -6.163 9.163 1.00 0.00 C ATOM 0 H VAL A 109 -1.798 -3.972 7.468 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.014 -4.644 10.169 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.894 -6.388 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.560 -6.204 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.724 -4.971 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.939 -4.522 6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.471 -7.047 8.638 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.890 -5.402 9.171 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.853 -6.430 10.188 1.00 0.00 H new ATOM 1744 N CYS A 110 0.150 -2.079 9.334 1.00 0.00 N ATOM 1745 CA CYS A 110 1.154 -1.031 9.480 1.00 0.00 C ATOM 1746 C CYS A 110 2.434 -1.584 10.097 1.00 0.00 C ATOM 1747 O CYS A 110 2.655 -1.464 11.302 1.00 0.00 O ATOM 1748 CB CYS A 110 0.612 0.108 10.346 1.00 0.00 C ATOM 1749 SG CYS A 110 0.536 -0.278 12.110 1.00 0.00 S ATOM 0 H CYS A 110 -0.806 -1.738 9.235 1.00 0.00 H new ATOM 0 HA CYS A 110 1.386 -0.647 8.487 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.239 0.988 10.204 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.388 0.370 9.999 1.00 0.00 H new ATOM 0 HG CYS A 110 1.623 -0.896 12.466 1.00 0.00 H new ATOM 1755 N GLY A 111 3.274 -2.190 9.265 1.00 0.00 N ATOM 1756 CA GLY A 111 4.522 -2.752 9.750 1.00 0.00 C ATOM 1757 C GLY A 111 4.945 -2.164 11.080 1.00 0.00 C ATOM 1758 O GLY A 111 5.192 -0.941 11.137 1.00 0.00 O ATOM 0 H GLY A 111 3.114 -2.302 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 111 4.415 -3.832 9.851 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.306 -2.577 9.013 1.00 0.00 H new