USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=34 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+ -126:sc= -2.98! (180deg=-2.87!) USER MOD Set 1.2: A 82 TYR OH : rot 180:sc= -0.391 USER MOD Set 2.1: A 51 THR OG1 : rot -140:sc= -2.64! USER MOD Set 2.2: A 103 THR OG1 : rot 150:sc= 0.224 USER MOD Set 3.1: A 46 THR OG1 : rot 180:sc= -0.216 USER MOD Set 3.2: A 65 HIS :FLIP no HE2:sc= -1.32 F(o=-2.3,f=-1.5) USER MOD Set 4.1: A 13 ASN :FLIP amide:sc= -12.3! C(o=-39!,f=-31!) USER MOD Set 4.2: A 35 MET CE :methyl -134:sc= -18.7! (180deg=-22.8!) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.505 F(o=-2.9!,f=-1.5) USER MOD Set 5.2: A 9 TYR OH : rot 172:sc= -1.02! USER MOD Single : A 8 THR OG1 : rot -25:sc= 0.696 USER MOD Single : A 12 TYR OH : rot -79:sc= -3.02! USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= -3.4! (180deg=-3.54!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.088 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 93:sc= -0.255 USER MOD Single : A 30 LYS NZ :NH3+ -148:sc= 0.74 (180deg=-1.37) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 41:sc= -1.14! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -1.13 USER MOD Single : A 62 LYS NZ :NH3+ 174:sc= -9.39! (180deg=-9.73!) USER MOD Single : A 63 HIS : no HE2:sc= -14.7! C(o=-15!,f=-24!) USER MOD Single : A 64 TYR OH : rot -131:sc= -9.35! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 170:sc= -5.12! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 17:sc= 0.0267 USER MOD Single : A 92 GLN : amide:sc= -5.18! C(o=-5.2!,f=-5.2!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= -27! C(o=-27!,f=-32!) USER MOD Single : A 95 GLN :FLIP amide:sc= -14! C(o=-26!,f=-14!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.15 F(o=-1.4!,f=-0.15) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 152:sc= -10.3! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -0.693 11.538 7.077 1.00 0.00 N ATOM 22 CA ASN A 5 -2.063 11.043 7.079 1.00 0.00 C ATOM 23 C ASN A 5 -2.108 9.568 7.447 1.00 0.00 C ATOM 24 O ASN A 5 -2.435 9.204 8.576 1.00 0.00 O ATOM 25 CB ASN A 5 -2.709 11.260 5.710 1.00 0.00 C ATOM 26 CG ASN A 5 -4.204 11.018 5.738 1.00 0.00 C ATOM 27 OD1 ASN A 5 -4.824 11.293 6.878 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -4.795 10.588 4.747 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.623 11.602 7.829 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.514 12.279 5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.248 10.592 4.983 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.278 10.390 3.891 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.802 10.430 4.783 1.00 0.00 H new ATOM 35 N LEU A 6 -1.781 8.729 6.479 1.00 0.00 N ATOM 36 CA LEU A 6 -1.783 7.283 6.677 1.00 0.00 C ATOM 37 C LEU A 6 -0.644 6.856 7.585 1.00 0.00 C ATOM 38 O LEU A 6 -0.791 5.966 8.420 1.00 0.00 O ATOM 39 CB LEU A 6 -1.647 6.570 5.341 1.00 0.00 C ATOM 40 CG LEU A 6 -1.385 7.497 4.165 1.00 0.00 C ATOM 41 CD1 LEU A 6 -1.000 6.699 2.932 1.00 0.00 C ATOM 42 CD2 LEU A 6 -2.616 8.345 3.918 1.00 0.00 C ATOM 0 H LEU A 6 -1.509 9.023 5.541 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.729 7.012 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.834 5.848 5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.559 6.006 5.148 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.548 8.156 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.816 7.380 2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.096 6.125 3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.811 6.018 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.435 9.013 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.464 7.698 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.836 8.935 4.808 1.00 0.00 H new ATOM 54 N GLU A 7 0.498 7.493 7.395 1.00 0.00 N ATOM 55 CA GLU A 7 1.687 7.191 8.173 1.00 0.00 C ATOM 56 C GLU A 7 1.339 6.986 9.642 1.00 0.00 C ATOM 57 O GLU A 7 2.095 6.365 10.390 1.00 0.00 O ATOM 58 CB GLU A 7 2.716 8.314 8.031 1.00 0.00 C ATOM 59 CG GLU A 7 2.871 8.821 6.606 1.00 0.00 C ATOM 60 CD GLU A 7 4.219 9.471 6.363 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.866 9.882 7.349 1.00 0.00 O ATOM 62 OE2 GLU A 7 4.627 9.572 5.187 1.00 0.00 O ATOM 0 H GLU A 7 0.627 8.230 6.702 1.00 0.00 H new ATOM 0 HA GLU A 7 2.116 6.266 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.426 9.145 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.682 7.957 8.388 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.742 7.990 5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.081 9.541 6.392 1.00 0.00 H new ATOM 69 N THR A 8 0.190 7.513 10.047 1.00 0.00 N ATOM 70 CA THR A 8 -0.261 7.390 11.429 1.00 0.00 C ATOM 71 C THR A 8 -1.369 6.349 11.551 1.00 0.00 C ATOM 72 O THR A 8 -1.843 6.061 12.650 1.00 0.00 O ATOM 73 CB THR A 8 -0.756 8.742 11.947 1.00 0.00 C ATOM 74 OG1 THR A 8 -1.253 8.619 13.268 1.00 0.00 O ATOM 75 CG2 THR A 8 -1.852 9.344 11.098 1.00 0.00 C ATOM 0 H THR A 8 -0.446 8.029 9.439 1.00 0.00 H new ATOM 0 HA THR A 8 0.586 7.064 12.033 1.00 0.00 H new ATOM 0 HB THR A 8 0.111 9.401 11.910 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.545 7.696 13.423 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.156 10.301 11.522 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.484 9.497 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.707 8.669 11.076 1.00 0.00 H new ATOM 83 N TYR A 9 -1.779 5.790 10.418 1.00 0.00 N ATOM 84 CA TYR A 9 -2.829 4.787 10.400 1.00 0.00 C ATOM 85 C TYR A 9 -2.273 3.401 10.682 1.00 0.00 C ATOM 86 O TYR A 9 -1.069 3.224 10.876 1.00 0.00 O ATOM 87 CB TYR A 9 -3.546 4.784 9.050 1.00 0.00 C ATOM 88 CG TYR A 9 -4.474 5.958 8.866 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.981 7.254 8.857 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.838 5.772 8.705 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.822 8.336 8.693 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.688 6.846 8.540 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.176 8.128 8.534 1.00 0.00 C ATOM 94 OH TYR A 9 -7.020 9.203 8.369 1.00 0.00 O ATOM 0 H TYR A 9 -1.397 6.017 9.500 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.540 5.043 11.186 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.804 4.788 8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.116 3.860 8.951 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.921 7.420 8.980 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.242 4.770 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.422 9.339 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.749 6.685 8.416 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.918 8.882 8.143 1.00 0.00 H new ATOM 104 N GLU A 10 -3.164 2.421 10.702 1.00 0.00 N ATOM 105 CA GLU A 10 -2.784 1.042 10.960 1.00 0.00 C ATOM 106 C GLU A 10 -2.264 0.371 9.703 1.00 0.00 C ATOM 107 O GLU A 10 -2.354 -0.848 9.572 1.00 0.00 O ATOM 108 CB GLU A 10 -3.990 0.253 11.462 1.00 0.00 C ATOM 109 CG GLU A 10 -3.657 -1.177 11.855 1.00 0.00 C ATOM 110 CD GLU A 10 -3.250 -1.304 13.309 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.528 -0.412 13.804 1.00 0.00 O ATOM 112 OE2 GLU A 10 -3.653 -2.294 13.954 1.00 0.00 O ATOM 0 H GLU A 10 -4.162 2.558 10.541 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.996 1.054 11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.419 0.768 12.322 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.754 0.239 10.685 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.523 -1.812 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.849 -1.545 11.222 1.00 0.00 H new ATOM 119 N TRP A 11 -1.762 1.143 8.754 1.00 0.00 N ATOM 120 CA TRP A 11 -1.309 0.533 7.523 1.00 0.00 C ATOM 121 C TRP A 11 -0.351 1.409 6.717 1.00 0.00 C ATOM 122 O TRP A 11 -0.280 1.286 5.498 1.00 0.00 O ATOM 123 CB TRP A 11 -2.546 0.200 6.703 1.00 0.00 C ATOM 124 CG TRP A 11 -3.657 1.182 6.931 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.683 1.099 7.832 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.829 2.418 6.252 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.488 2.209 7.732 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.981 3.034 6.763 1.00 0.00 C ATOM 129 CE3 TRP A 11 -3.117 3.055 5.253 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.431 4.264 6.296 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.559 4.279 4.790 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.707 4.872 5.312 1.00 0.00 C ATOM 0 H TRP A 11 -1.661 2.156 8.809 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.735 -0.360 7.771 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.286 0.187 5.645 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.891 -0.802 6.959 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.838 0.282 8.521 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -6.324 2.389 8.287 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.228 2.602 4.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.323 4.722 6.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.006 4.784 4.012 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -5.029 5.830 4.931 1.00 0.00 H new ATOM 143 N TYR A 12 0.415 2.267 7.377 1.00 0.00 N ATOM 144 CA TYR A 12 1.375 3.086 6.668 1.00 0.00 C ATOM 145 C TYR A 12 2.780 2.788 7.153 1.00 0.00 C ATOM 146 O TYR A 12 3.017 2.663 8.355 1.00 0.00 O ATOM 147 CB TYR A 12 1.093 4.575 6.802 1.00 0.00 C ATOM 148 CG TYR A 12 2.011 5.382 5.918 1.00 0.00 C ATOM 149 CD1 TYR A 12 3.377 5.426 6.171 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.526 6.066 4.817 1.00 0.00 C ATOM 151 CE1 TYR A 12 4.229 6.135 5.351 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.370 6.780 3.995 1.00 0.00 C ATOM 153 CZ TYR A 12 3.722 6.812 4.264 1.00 0.00 C ATOM 154 OH TYR A 12 4.569 7.522 3.444 1.00 0.00 O ATOM 0 H TYR A 12 0.388 2.410 8.387 1.00 0.00 H new ATOM 0 HA TYR A 12 1.283 2.832 5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.056 4.777 6.536 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.221 4.881 7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.777 4.897 7.023 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.469 6.040 4.599 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.288 6.159 5.560 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.974 7.313 3.143 1.00 0.00 H new ATOM 0 HH TYR A 12 4.791 8.378 3.866 1.00 0.00 H new ATOM 164 N ASN A 13 3.710 2.672 6.223 1.00 0.00 N ATOM 165 CA ASN A 13 5.086 2.388 6.578 1.00 0.00 C ATOM 166 C ASN A 13 6.035 3.443 6.015 1.00 0.00 C ATOM 167 O ASN A 13 5.902 3.869 4.868 1.00 0.00 O ATOM 168 CB ASN A 13 5.465 0.996 6.101 1.00 0.00 C ATOM 169 CG ASN A 13 4.301 0.248 5.493 1.00 0.00 C ATOM 170 OD1 ASN A 13 3.803 -0.742 6.222 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 3.855 0.555 4.388 1.00 0.00 N flip ATOM 0 H ASN A 13 3.538 2.770 5.222 1.00 0.00 H new ATOM 0 HA ASN A 13 5.178 2.422 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.265 1.074 5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.860 0.424 6.941 1.00 0.00 H new ATOM 0 HD21 ASN A 13 4.273 1.325 3.865 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.068 0.040 3.995 1.00 0.00 H new ATOM 178 N LYS A 14 6.984 3.870 6.845 1.00 0.00 N ATOM 179 CA LYS A 14 7.956 4.891 6.461 1.00 0.00 C ATOM 180 C LYS A 14 8.551 4.636 5.078 1.00 0.00 C ATOM 181 O LYS A 14 7.832 4.408 4.105 1.00 0.00 O ATOM 182 CB LYS A 14 9.085 4.967 7.487 1.00 0.00 C ATOM 183 CG LYS A 14 8.646 4.685 8.910 1.00 0.00 C ATOM 184 CD LYS A 14 7.673 5.739 9.415 1.00 0.00 C ATOM 185 CE LYS A 14 6.263 5.487 8.907 1.00 0.00 C ATOM 186 NZ LYS A 14 5.736 4.170 9.357 1.00 0.00 N ATOM 0 H LYS A 14 7.101 3.521 7.796 1.00 0.00 H new ATOM 0 HA LYS A 14 7.418 5.838 6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.862 4.255 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.533 5.960 7.446 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.176 3.703 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.519 4.653 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.673 5.742 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.005 6.726 9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.604 6.281 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.257 5.527 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.815 3.992 8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.403 3.419 9.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.621 4.177 10.391 1.00 0.00 H new ATOM 200 N SER A 15 9.879 4.701 5.008 1.00 0.00 N ATOM 201 CA SER A 15 10.601 4.507 3.755 1.00 0.00 C ATOM 202 C SER A 15 10.584 3.050 3.307 1.00 0.00 C ATOM 203 O SER A 15 11.278 2.677 2.361 1.00 0.00 O ATOM 204 CB SER A 15 12.047 4.986 3.901 1.00 0.00 C ATOM 205 OG SER A 15 12.119 6.400 3.910 1.00 0.00 O ATOM 0 H SER A 15 10.479 4.888 5.811 1.00 0.00 H new ATOM 0 HA SER A 15 10.093 5.096 2.991 1.00 0.00 H new ATOM 0 HB2 SER A 15 12.472 4.592 4.824 1.00 0.00 H new ATOM 0 HB3 SER A 15 12.648 4.594 3.080 1.00 0.00 H new ATOM 0 HG SER A 15 13.053 6.679 4.006 1.00 0.00 H new ATOM 211 N ILE A 16 9.789 2.229 3.980 1.00 0.00 N ATOM 212 CA ILE A 16 9.692 0.817 3.630 1.00 0.00 C ATOM 213 C ILE A 16 8.890 0.629 2.347 1.00 0.00 C ATOM 214 O ILE A 16 7.736 0.206 2.383 1.00 0.00 O ATOM 215 CB ILE A 16 9.042 0.002 4.756 1.00 0.00 C ATOM 216 CG1 ILE A 16 9.230 0.706 6.097 1.00 0.00 C ATOM 217 CG2 ILE A 16 9.620 -1.401 4.806 1.00 0.00 C ATOM 218 CD1 ILE A 16 8.059 1.574 6.481 1.00 0.00 C ATOM 0 H ILE A 16 9.205 2.513 4.767 1.00 0.00 H new ATOM 0 HA ILE A 16 10.709 0.455 3.478 1.00 0.00 H new ATOM 0 HB ILE A 16 7.974 -0.077 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.390 -0.042 6.874 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.130 1.319 6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.145 -1.962 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.437 -1.904 3.857 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.694 -1.346 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.256 2.046 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.913 2.344 5.723 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.160 0.961 6.554 1.00 0.00 H new ATOM 230 N SER A 17 9.514 0.951 1.216 1.00 0.00 N ATOM 231 CA SER A 17 8.866 0.827 -0.084 1.00 0.00 C ATOM 232 C SER A 17 7.893 -0.344 -0.101 1.00 0.00 C ATOM 233 O SER A 17 7.890 -1.177 0.805 1.00 0.00 O ATOM 234 CB SER A 17 9.914 0.648 -1.183 1.00 0.00 C ATOM 235 OG SER A 17 11.188 1.098 -0.752 1.00 0.00 O ATOM 0 H SER A 17 10.471 1.301 1.176 1.00 0.00 H new ATOM 0 HA SER A 17 8.305 1.743 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.973 -0.403 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.611 1.201 -2.072 1.00 0.00 H new ATOM 0 HG SER A 17 11.841 0.971 -1.472 1.00 0.00 H new ATOM 241 N ARG A 18 7.072 -0.406 -1.142 1.00 0.00 N ATOM 242 CA ARG A 18 6.100 -1.476 -1.275 1.00 0.00 C ATOM 243 C ARG A 18 6.799 -2.829 -1.260 1.00 0.00 C ATOM 244 O ARG A 18 6.222 -3.829 -0.831 1.00 0.00 O ATOM 245 CB ARG A 18 5.299 -1.309 -2.568 1.00 0.00 C ATOM 246 CG ARG A 18 5.204 -2.582 -3.393 1.00 0.00 C ATOM 247 CD ARG A 18 6.561 -2.993 -3.941 1.00 0.00 C ATOM 248 NE ARG A 18 7.538 -1.912 -3.853 1.00 0.00 N ATOM 249 CZ ARG A 18 8.591 -1.803 -4.655 1.00 0.00 C ATOM 250 NH1 ARG A 18 8.803 -2.708 -5.602 1.00 0.00 N ATOM 251 NH2 ARG A 18 9.435 -0.791 -4.512 1.00 0.00 N ATOM 0 H ARG A 18 7.062 0.272 -1.904 1.00 0.00 H new ATOM 0 HA ARG A 18 5.413 -1.428 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.293 -0.970 -2.321 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.759 -0.528 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.800 -3.386 -2.778 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.508 -2.431 -4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.928 -3.858 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.454 -3.300 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 18 7.404 -1.200 -3.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.157 -3.489 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.612 -2.623 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.277 -0.094 -3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 18 10.243 -0.710 -5.129 1.00 0.00 H new ATOM 265 N ASP A 19 8.051 -2.855 -1.713 1.00 0.00 N ATOM 266 CA ASP A 19 8.814 -4.096 -1.724 1.00 0.00 C ATOM 267 C ASP A 19 9.077 -4.543 -0.296 1.00 0.00 C ATOM 268 O ASP A 19 8.954 -5.724 0.040 1.00 0.00 O ATOM 269 CB ASP A 19 10.136 -3.905 -2.467 1.00 0.00 C ATOM 270 CG ASP A 19 10.855 -5.217 -2.718 1.00 0.00 C ATOM 271 OD1 ASP A 19 10.240 -6.125 -3.316 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.031 -5.338 -2.314 1.00 0.00 O ATOM 0 H ASP A 19 8.551 -2.042 -2.072 1.00 0.00 H new ATOM 0 HA ASP A 19 8.237 -4.862 -2.242 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.946 -3.410 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.782 -3.245 -1.889 1.00 0.00 H new ATOM 277 N LYS A 20 9.389 -3.572 0.550 1.00 0.00 N ATOM 278 CA LYS A 20 9.628 -3.832 1.959 1.00 0.00 C ATOM 279 C LYS A 20 8.298 -4.076 2.637 1.00 0.00 C ATOM 280 O LYS A 20 8.144 -5.002 3.434 1.00 0.00 O ATOM 281 CB LYS A 20 10.360 -2.658 2.612 1.00 0.00 C ATOM 282 CG LYS A 20 11.629 -2.252 1.881 1.00 0.00 C ATOM 283 CD LYS A 20 12.555 -1.446 2.775 1.00 0.00 C ATOM 284 CE LYS A 20 12.527 0.031 2.416 1.00 0.00 C ATOM 285 NZ LYS A 20 13.801 0.472 1.781 1.00 0.00 N ATOM 0 H LYS A 20 9.483 -2.592 0.282 1.00 0.00 H new ATOM 0 HA LYS A 20 10.262 -4.712 2.065 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.687 -1.802 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.611 -2.923 3.639 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.148 -3.144 1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 20 11.370 -1.664 1.000 1.00 0.00 H new ATOM 0 HD2 LYS A 20 12.260 -1.574 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 20 13.573 -1.825 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.697 0.224 1.737 1.00 0.00 H new ATOM 0 HE3 LYS A 20 12.346 0.620 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 13.742 1.485 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 14.590 0.312 2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 13.961 -0.072 0.909 1.00 0.00 H new ATOM 299 N ALA A 21 7.324 -3.255 2.270 1.00 0.00 N ATOM 300 CA ALA A 21 5.981 -3.393 2.795 1.00 0.00 C ATOM 301 C ALA A 21 5.446 -4.763 2.396 1.00 0.00 C ATOM 302 O ALA A 21 4.905 -5.507 3.217 1.00 0.00 O ATOM 303 CB ALA A 21 5.089 -2.276 2.275 1.00 0.00 C ATOM 0 H ALA A 21 7.443 -2.487 1.610 1.00 0.00 H new ATOM 0 HA ALA A 21 5.993 -3.315 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.084 -2.395 2.679 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.493 -1.313 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.050 -2.319 1.187 1.00 0.00 H new ATOM 309 N GLU A 22 5.648 -5.108 1.126 1.00 0.00 N ATOM 310 CA GLU A 22 5.235 -6.404 0.619 1.00 0.00 C ATOM 311 C GLU A 22 6.080 -7.485 1.271 1.00 0.00 C ATOM 312 O GLU A 22 5.560 -8.472 1.805 1.00 0.00 O ATOM 313 CB GLU A 22 5.378 -6.461 -0.903 1.00 0.00 C ATOM 314 CG GLU A 22 6.719 -7.006 -1.368 1.00 0.00 C ATOM 315 CD GLU A 22 6.711 -7.406 -2.830 1.00 0.00 C ATOM 316 OE1 GLU A 22 6.872 -6.514 -3.689 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.547 -8.610 -3.114 1.00 0.00 O ATOM 0 H GLU A 22 6.095 -4.506 0.435 1.00 0.00 H new ATOM 0 HA GLU A 22 4.185 -6.566 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.581 -7.083 -1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.241 -5.459 -1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.489 -6.252 -1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.986 -7.870 -0.760 1.00 0.00 H new ATOM 324 N LYS A 23 7.393 -7.273 1.248 1.00 0.00 N ATOM 325 CA LYS A 23 8.321 -8.210 1.860 1.00 0.00 C ATOM 326 C LYS A 23 7.914 -8.450 3.300 1.00 0.00 C ATOM 327 O LYS A 23 7.754 -9.587 3.734 1.00 0.00 O ATOM 328 CB LYS A 23 9.752 -7.674 1.802 1.00 0.00 C ATOM 329 CG LYS A 23 10.480 -7.739 3.136 1.00 0.00 C ATOM 330 CD LYS A 23 11.785 -6.963 3.097 1.00 0.00 C ATOM 331 CE LYS A 23 11.643 -5.600 3.756 1.00 0.00 C ATOM 332 NZ LYS A 23 12.370 -5.531 5.053 1.00 0.00 N ATOM 0 H LYS A 23 7.834 -6.463 0.813 1.00 0.00 H new ATOM 0 HA LYS A 23 8.289 -9.150 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.315 -8.243 1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.730 -6.640 1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.840 -7.337 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.682 -8.779 3.391 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.564 -7.533 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.104 -6.837 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.025 -4.831 3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.587 -5.384 3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.248 -4.586 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.989 -6.248 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.382 -5.711 4.894 1.00 0.00 H new ATOM 346 N LEU A 24 7.719 -7.361 4.026 1.00 0.00 N ATOM 347 CA LEU A 24 7.293 -7.438 5.415 1.00 0.00 C ATOM 348 C LEU A 24 5.858 -7.947 5.490 1.00 0.00 C ATOM 349 O LEU A 24 5.511 -8.738 6.365 1.00 0.00 O ATOM 350 CB LEU A 24 7.398 -6.068 6.089 1.00 0.00 C ATOM 351 CG LEU A 24 6.060 -5.442 6.488 1.00 0.00 C ATOM 352 CD1 LEU A 24 6.239 -4.515 7.680 1.00 0.00 C ATOM 353 CD2 LEU A 24 5.458 -4.692 5.312 1.00 0.00 C ATOM 0 H LEU A 24 7.849 -6.412 3.676 1.00 0.00 H new ATOM 0 HA LEU A 24 7.949 -8.132 5.941 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.018 -6.164 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.915 -5.386 5.414 1.00 0.00 H new ATOM 0 HG LEU A 24 5.375 -6.240 6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.277 -4.079 7.950 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.631 -5.081 8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.938 -3.720 7.421 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.506 -4.252 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.140 -3.903 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.295 -5.383 4.485 1.00 0.00 H new ATOM 365 N LEU A 25 5.028 -7.477 4.559 1.00 0.00 N ATOM 366 CA LEU A 25 3.626 -7.873 4.512 1.00 0.00 C ATOM 367 C LEU A 25 3.479 -9.371 4.302 1.00 0.00 C ATOM 368 O LEU A 25 2.614 -10.010 4.904 1.00 0.00 O ATOM 369 CB LEU A 25 2.894 -7.124 3.398 1.00 0.00 C ATOM 370 CG LEU A 25 2.162 -5.857 3.839 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.772 -5.025 2.626 1.00 0.00 C ATOM 372 CD2 LEU A 25 0.934 -6.209 4.662 1.00 0.00 C ATOM 0 H LEU A 25 5.305 -6.822 3.828 1.00 0.00 H new ATOM 0 HA LEU A 25 3.181 -7.615 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.616 -6.857 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.173 -7.801 2.940 1.00 0.00 H new ATOM 0 HG LEU A 25 2.834 -5.267 4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.251 -4.125 2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.669 -4.744 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.116 -5.609 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.426 -5.294 4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.257 -6.818 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.237 -6.768 5.547 1.00 0.00 H new ATOM 384 N LEU A 26 4.320 -9.927 3.447 1.00 0.00 N ATOM 385 CA LEU A 26 4.269 -11.356 3.163 1.00 0.00 C ATOM 386 C LEU A 26 4.413 -12.162 4.451 1.00 0.00 C ATOM 387 O LEU A 26 3.858 -13.252 4.581 1.00 0.00 O ATOM 388 CB LEU A 26 5.363 -11.746 2.167 1.00 0.00 C ATOM 389 CG LEU A 26 6.539 -12.519 2.763 1.00 0.00 C ATOM 390 CD1 LEU A 26 7.630 -12.716 1.723 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.083 -11.790 3.979 1.00 0.00 C ATOM 0 H LEU A 26 5.043 -9.417 2.939 1.00 0.00 H new ATOM 0 HA LEU A 26 3.300 -11.582 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.915 -12.349 1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.745 -10.839 1.698 1.00 0.00 H new ATOM 0 HG LEU A 26 6.187 -13.502 3.077 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.459 -13.268 2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.230 -13.277 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.984 -11.744 1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.920 -12.350 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.421 -10.796 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.298 -11.700 4.730 1.00 0.00 H new ATOM 403 N ASP A 27 5.159 -11.609 5.400 1.00 0.00 N ATOM 404 CA ASP A 27 5.380 -12.263 6.683 1.00 0.00 C ATOM 405 C ASP A 27 4.090 -12.328 7.489 1.00 0.00 C ATOM 406 O ASP A 27 3.844 -13.287 8.219 1.00 0.00 O ATOM 407 CB ASP A 27 6.459 -11.525 7.478 1.00 0.00 C ATOM 408 CG ASP A 27 7.840 -12.113 7.262 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.099 -13.222 7.775 1.00 0.00 O ATOM 410 OD2 ASP A 27 8.660 -11.464 6.580 1.00 0.00 O ATOM 0 H ASP A 27 5.623 -10.706 5.304 1.00 0.00 H new ATOM 0 HA ASP A 27 5.717 -13.282 6.490 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.465 -10.474 7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.213 -11.562 8.539 1.00 0.00 H new ATOM 415 N THR A 28 3.273 -11.292 7.352 1.00 0.00 N ATOM 416 CA THR A 28 2.005 -11.217 8.064 1.00 0.00 C ATOM 417 C THR A 28 1.119 -12.400 7.710 1.00 0.00 C ATOM 418 O THR A 28 0.523 -13.033 8.582 1.00 0.00 O ATOM 419 CB THR A 28 1.290 -9.906 7.736 1.00 0.00 C ATOM 420 OG1 THR A 28 2.096 -9.090 6.906 1.00 0.00 O ATOM 421 CG2 THR A 28 0.927 -9.098 8.963 1.00 0.00 C ATOM 0 H THR A 28 3.467 -10.490 6.752 1.00 0.00 H new ATOM 0 HA THR A 28 2.210 -11.249 9.134 1.00 0.00 H new ATOM 0 HB THR A 28 0.370 -10.198 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.875 -9.260 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.423 -8.181 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.264 -9.683 9.600 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.833 -8.848 9.515 1.00 0.00 H new ATOM 429 N GLY A 29 1.048 -12.696 6.424 1.00 0.00 N ATOM 430 CA GLY A 29 0.244 -13.807 5.958 1.00 0.00 C ATOM 431 C GLY A 29 -1.235 -13.624 6.241 1.00 0.00 C ATOM 432 O GLY A 29 -2.000 -14.589 6.221 1.00 0.00 O ATOM 0 H GLY A 29 1.536 -12.184 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.391 -13.931 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.589 -14.724 6.435 1.00 0.00 H new ATOM 436 N LYS A 30 -1.643 -12.387 6.503 1.00 0.00 N ATOM 437 CA LYS A 30 -3.044 -12.091 6.784 1.00 0.00 C ATOM 438 C LYS A 30 -3.741 -11.558 5.545 1.00 0.00 C ATOM 439 O LYS A 30 -3.418 -10.474 5.062 1.00 0.00 O ATOM 440 CB LYS A 30 -3.170 -11.060 7.906 1.00 0.00 C ATOM 441 CG LYS A 30 -1.840 -10.491 8.369 1.00 0.00 C ATOM 442 CD LYS A 30 -2.035 -9.330 9.329 1.00 0.00 C ATOM 443 CE LYS A 30 -1.302 -9.560 10.641 1.00 0.00 C ATOM 444 NZ LYS A 30 -2.193 -9.361 11.816 1.00 0.00 N ATOM 0 H LYS A 30 -1.026 -11.575 6.527 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.518 -13.022 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.805 -10.242 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.673 -11.522 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.258 -11.273 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.265 -10.157 7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.675 -8.411 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.099 -9.194 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.898 -10.572 10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.455 -8.878 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.638 -8.992 12.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.942 -8.682 11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.623 -10.269 12.084 1.00 0.00 H new ATOM 458 N GLU A 31 -4.708 -12.310 5.037 1.00 0.00 N ATOM 459 CA GLU A 31 -5.441 -11.875 3.863 1.00 0.00 C ATOM 460 C GLU A 31 -5.987 -10.475 4.096 1.00 0.00 C ATOM 461 O GLU A 31 -6.706 -10.234 5.067 1.00 0.00 O ATOM 462 CB GLU A 31 -6.587 -12.842 3.559 1.00 0.00 C ATOM 463 CG GLU A 31 -7.825 -12.605 4.411 1.00 0.00 C ATOM 464 CD GLU A 31 -7.659 -13.106 5.832 1.00 0.00 C ATOM 465 OE1 GLU A 31 -7.007 -12.406 6.636 1.00 0.00 O ATOM 466 OE2 GLU A 31 -8.180 -14.197 6.141 1.00 0.00 O ATOM 0 H GLU A 31 -4.998 -13.212 5.415 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.766 -11.862 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.857 -12.753 2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.240 -13.864 3.713 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.050 -11.539 4.430 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.679 -13.103 3.951 1.00 0.00 H new ATOM 473 N GLY A 32 -5.644 -9.551 3.210 1.00 0.00 N ATOM 474 CA GLY A 32 -6.112 -8.193 3.356 1.00 0.00 C ATOM 475 C GLY A 32 -5.133 -7.310 4.097 1.00 0.00 C ATOM 476 O GLY A 32 -5.477 -6.193 4.478 1.00 0.00 O ATOM 0 H GLY A 32 -5.052 -9.719 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.300 -7.770 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.064 -8.197 3.887 1.00 0.00 H new ATOM 480 N ALA A 33 -3.910 -7.787 4.310 1.00 0.00 N ATOM 481 CA ALA A 33 -2.935 -6.970 5.026 1.00 0.00 C ATOM 482 C ALA A 33 -2.469 -5.826 4.136 1.00 0.00 C ATOM 483 O ALA A 33 -1.886 -6.058 3.082 1.00 0.00 O ATOM 484 CB ALA A 33 -1.754 -7.823 5.464 1.00 0.00 C ATOM 0 H ALA A 33 -3.578 -8.703 4.009 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.404 -6.552 5.917 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.034 -7.202 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.104 -8.618 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.277 -8.261 4.587 1.00 0.00 H new ATOM 490 N PHE A 34 -2.730 -4.587 4.552 1.00 0.00 N ATOM 491 CA PHE A 34 -2.327 -3.446 3.742 1.00 0.00 C ATOM 492 C PHE A 34 -1.460 -2.436 4.477 1.00 0.00 C ATOM 493 O PHE A 34 -1.438 -2.368 5.706 1.00 0.00 O ATOM 494 CB PHE A 34 -3.542 -2.745 3.141 1.00 0.00 C ATOM 495 CG PHE A 34 -4.623 -2.420 4.124 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.369 -1.628 5.229 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.906 -2.887 3.925 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.370 -1.307 6.113 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.916 -2.575 4.810 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.650 -1.782 5.907 1.00 0.00 C ATOM 0 H PHE A 34 -3.207 -4.354 5.423 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.709 -3.864 2.948 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.213 -1.822 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.959 -3.378 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.369 -1.257 5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.122 -3.504 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.156 -0.684 6.969 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.915 -2.951 4.645 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.439 -1.534 6.601 1.00 0.00 H new ATOM 510 N MET A 35 -0.765 -1.637 3.675 1.00 0.00 N ATOM 511 CA MET A 35 0.106 -0.580 4.166 1.00 0.00 C ATOM 512 C MET A 35 0.353 0.445 3.054 1.00 0.00 C ATOM 513 O MET A 35 0.622 0.065 1.921 1.00 0.00 O ATOM 514 CB MET A 35 1.430 -1.165 4.649 1.00 0.00 C ATOM 515 CG MET A 35 1.785 -2.485 3.989 1.00 0.00 C ATOM 516 SD MET A 35 3.459 -3.025 4.380 1.00 0.00 S ATOM 517 CE MET A 35 3.295 -3.395 6.123 1.00 0.00 C ATOM 0 H MET A 35 -0.792 -1.707 2.658 1.00 0.00 H new ATOM 0 HA MET A 35 -0.378 -0.083 5.007 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.227 -0.446 4.458 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.382 -1.309 5.728 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.076 -3.249 4.308 1.00 0.00 H new ATOM 0 HG3 MET A 35 1.682 -2.386 2.908 1.00 0.00 H new ATOM 0 HE1 MET A 35 4.135 -2.964 6.667 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.364 -2.972 6.499 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.286 -4.475 6.266 1.00 0.00 H new ATOM 527 N VAL A 36 0.263 1.739 3.363 1.00 0.00 N ATOM 528 CA VAL A 36 0.479 2.763 2.343 1.00 0.00 C ATOM 529 C VAL A 36 1.740 3.559 2.604 1.00 0.00 C ATOM 530 O VAL A 36 2.037 3.924 3.741 1.00 0.00 O ATOM 531 CB VAL A 36 -0.697 3.747 2.259 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.195 3.885 0.834 1.00 0.00 C ATOM 533 CG2 VAL A 36 -1.805 3.314 3.186 1.00 0.00 C ATOM 0 H VAL A 36 0.046 2.097 4.293 1.00 0.00 H new ATOM 0 HA VAL A 36 0.572 2.224 1.400 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.348 4.729 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.028 4.588 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.388 4.253 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.528 2.913 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.633 4.019 3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.150 2.320 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.433 3.289 4.210 1.00 0.00 H new ATOM 543 N ARG A 37 2.470 3.841 1.537 1.00 0.00 N ATOM 544 CA ARG A 37 3.687 4.607 1.642 1.00 0.00 C ATOM 545 C ARG A 37 3.633 5.835 0.741 1.00 0.00 C ATOM 546 O ARG A 37 3.150 5.766 -0.391 1.00 0.00 O ATOM 547 CB ARG A 37 4.895 3.744 1.279 1.00 0.00 C ATOM 548 CG ARG A 37 4.659 2.258 1.477 1.00 0.00 C ATOM 549 CD ARG A 37 5.969 1.508 1.631 1.00 0.00 C ATOM 550 NE ARG A 37 7.082 2.412 1.911 1.00 0.00 N ATOM 551 CZ ARG A 37 7.567 3.278 1.027 1.00 0.00 C ATOM 552 NH1 ARG A 37 7.050 3.343 -0.192 1.00 0.00 N ATOM 553 NH2 ARG A 37 8.570 4.078 1.361 1.00 0.00 N ATOM 0 H ARG A 37 2.235 3.547 0.589 1.00 0.00 H new ATOM 0 HA ARG A 37 3.789 4.940 2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.162 3.926 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.747 4.052 1.885 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.041 2.100 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.107 1.859 0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.879 0.781 2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.176 0.948 0.719 1.00 0.00 H new ATOM 0 HE ARG A 37 7.511 2.377 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.279 2.728 -0.452 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.423 4.008 -0.869 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.971 4.030 2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.941 4.742 0.681 1.00 0.00 H new ATOM 567 N ASP A 38 4.137 6.956 1.245 1.00 0.00 N ATOM 568 CA ASP A 38 4.155 8.193 0.476 1.00 0.00 C ATOM 569 C ASP A 38 5.446 8.300 -0.325 1.00 0.00 C ATOM 570 O ASP A 38 6.520 8.515 0.234 1.00 0.00 O ATOM 571 CB ASP A 38 4.013 9.401 1.404 1.00 0.00 C ATOM 572 CG ASP A 38 5.223 10.313 1.356 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.169 10.087 2.140 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.226 11.252 0.533 1.00 0.00 O ATOM 0 H ASP A 38 4.537 7.033 2.180 1.00 0.00 H new ATOM 0 HA ASP A 38 3.312 8.181 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.124 9.967 1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.863 9.054 2.427 1.00 0.00 H new ATOM 663 N TYR A 45 0.348 8.628 -2.434 1.00 0.00 N ATOM 664 CA TYR A 45 0.583 7.520 -1.514 1.00 0.00 C ATOM 665 C TYR A 45 0.361 6.176 -2.199 1.00 0.00 C ATOM 666 O TYR A 45 -0.543 6.029 -3.021 1.00 0.00 O ATOM 667 CB TYR A 45 -0.345 7.635 -0.305 1.00 0.00 C ATOM 668 CG TYR A 45 0.063 8.709 0.678 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.123 8.509 1.551 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.617 9.919 0.736 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.496 9.485 2.457 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.251 10.900 1.638 1.00 0.00 C ATOM 673 CZ TYR A 45 0.807 10.678 2.495 1.00 0.00 C ATOM 674 OH TYR A 45 1.174 11.653 3.394 1.00 0.00 O ATOM 0 HA TYR A 45 1.621 7.573 -1.186 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.357 7.840 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.374 6.675 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.666 7.576 1.522 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.445 10.096 0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.322 9.313 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.790 11.835 1.672 1.00 0.00 H new ATOM 0 HH TYR A 45 0.588 12.431 3.290 1.00 0.00 H new ATOM 684 N THR A 46 1.183 5.193 -1.845 1.00 0.00 N ATOM 685 CA THR A 46 1.067 3.855 -2.416 1.00 0.00 C ATOM 686 C THR A 46 0.672 2.850 -1.340 1.00 0.00 C ATOM 687 O THR A 46 1.299 2.788 -0.283 1.00 0.00 O ATOM 688 CB THR A 46 2.383 3.435 -3.068 1.00 0.00 C ATOM 689 OG1 THR A 46 2.481 3.951 -4.384 1.00 0.00 O ATOM 690 CG2 THR A 46 2.557 1.934 -3.150 1.00 0.00 C ATOM 0 H THR A 46 1.937 5.297 -1.166 1.00 0.00 H new ATOM 0 HA THR A 46 0.290 3.875 -3.180 1.00 0.00 H new ATOM 0 HB THR A 46 3.165 3.842 -2.426 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.332 3.672 -4.782 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.512 1.704 -3.623 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.538 1.510 -2.146 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.747 1.506 -3.740 1.00 0.00 H new ATOM 698 N VAL A 47 -0.374 2.069 -1.604 1.00 0.00 N ATOM 699 CA VAL A 47 -0.842 1.086 -0.639 1.00 0.00 C ATOM 700 C VAL A 47 -0.323 -0.315 -0.938 1.00 0.00 C ATOM 701 O VAL A 47 -0.325 -0.770 -2.082 1.00 0.00 O ATOM 702 CB VAL A 47 -2.381 1.031 -0.567 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.829 0.055 0.512 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.964 2.413 -0.322 1.00 0.00 C ATOM 0 H VAL A 47 -0.908 2.100 -2.473 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.445 1.416 0.321 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.755 0.676 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.918 0.029 0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.449 -0.941 0.282 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.441 0.377 1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.051 2.346 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.584 2.806 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.676 3.079 -1.135 1.00 0.00 H new ATOM 714 N SER A 48 0.095 -0.996 0.120 1.00 0.00 N ATOM 715 CA SER A 48 0.596 -2.359 0.034 1.00 0.00 C ATOM 716 C SER A 48 -0.377 -3.280 0.757 1.00 0.00 C ATOM 717 O SER A 48 -0.558 -3.158 1.970 1.00 0.00 O ATOM 718 CB SER A 48 1.993 -2.455 0.661 1.00 0.00 C ATOM 719 OG SER A 48 2.367 -1.225 1.258 1.00 0.00 O ATOM 0 H SER A 48 0.096 -0.616 1.066 1.00 0.00 H new ATOM 0 HA SER A 48 0.677 -2.658 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.005 -3.246 1.411 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.721 -2.729 -0.103 1.00 0.00 H new ATOM 0 HG SER A 48 1.596 -0.840 1.725 1.00 0.00 H new ATOM 725 N VAL A 49 -1.028 -4.172 0.010 1.00 0.00 N ATOM 726 CA VAL A 49 -2.005 -5.081 0.589 1.00 0.00 C ATOM 727 C VAL A 49 -1.607 -6.538 0.392 1.00 0.00 C ATOM 728 O VAL A 49 -0.997 -6.896 -0.615 1.00 0.00 O ATOM 729 CB VAL A 49 -3.403 -4.840 -0.005 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.474 -4.937 1.073 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.456 -3.489 -0.695 1.00 0.00 C ATOM 0 H VAL A 49 -0.894 -4.281 -0.995 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.033 -4.876 1.659 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.601 -5.615 -0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.454 -4.763 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.450 -5.930 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.286 -4.187 1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.451 -3.332 -1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.236 -2.703 0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.719 -3.461 -1.498 1.00 0.00 H new ATOM 741 N PHE A 50 -1.952 -7.372 1.370 1.00 0.00 N ATOM 742 CA PHE A 50 -1.626 -8.790 1.319 1.00 0.00 C ATOM 743 C PHE A 50 -2.864 -9.652 1.522 1.00 0.00 C ATOM 744 O PHE A 50 -3.535 -9.562 2.559 1.00 0.00 O ATOM 745 CB PHE A 50 -0.574 -9.132 2.376 1.00 0.00 C ATOM 746 CG PHE A 50 -0.345 -10.608 2.536 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.346 -11.427 3.034 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.870 -11.176 2.189 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.139 -12.785 3.181 1.00 0.00 C ATOM 750 CE2 PHE A 50 1.083 -12.533 2.334 1.00 0.00 C ATOM 751 CZ PHE A 50 0.078 -13.339 2.830 1.00 0.00 C ATOM 0 H PHE A 50 -2.458 -7.087 2.208 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.223 -9.002 0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.368 -8.653 2.109 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.883 -8.714 3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.298 -10.999 3.310 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.660 -10.550 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.927 -13.413 3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.035 -12.963 2.060 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.242 -14.400 2.944 1.00 0.00 H new ATOM 761 N THR A 51 -3.149 -10.490 0.524 1.00 0.00 N ATOM 762 CA THR A 51 -4.290 -11.391 0.559 1.00 0.00 C ATOM 763 C THR A 51 -3.834 -12.844 0.645 1.00 0.00 C ATOM 764 O THR A 51 -2.862 -13.239 0.002 1.00 0.00 O ATOM 765 CB THR A 51 -5.163 -11.190 -0.682 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.531 -11.383 -0.369 1.00 0.00 O ATOM 767 CG2 THR A 51 -4.815 -12.131 -1.817 1.00 0.00 C ATOM 0 H THR A 51 -2.593 -10.559 -0.328 1.00 0.00 H new ATOM 0 HA THR A 51 -4.876 -11.161 1.448 1.00 0.00 H new ATOM 0 HB THR A 51 -4.972 -10.167 -1.007 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.969 -11.867 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.471 -11.936 -2.665 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.779 -11.973 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.945 -13.162 -1.488 1.00 0.00 H new ATOM 775 N LYS A 52 -4.543 -13.634 1.445 1.00 0.00 N ATOM 776 CA LYS A 52 -4.211 -15.044 1.617 1.00 0.00 C ATOM 777 C LYS A 52 -4.564 -15.841 0.366 1.00 0.00 C ATOM 778 O LYS A 52 -5.522 -15.522 -0.337 1.00 0.00 O ATOM 779 CB LYS A 52 -4.950 -15.618 2.827 1.00 0.00 C ATOM 780 CG LYS A 52 -6.453 -15.726 2.627 1.00 0.00 C ATOM 781 CD LYS A 52 -6.841 -17.073 2.039 1.00 0.00 C ATOM 782 CE LYS A 52 -7.768 -16.913 0.846 1.00 0.00 C ATOM 783 NZ LYS A 52 -8.216 -18.227 0.308 1.00 0.00 N ATOM 0 H LYS A 52 -5.351 -13.322 1.984 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.137 -15.122 1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.550 -16.607 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.752 -14.989 3.695 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.959 -15.585 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.792 -14.928 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.943 -17.610 1.734 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.330 -17.677 2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.638 -16.326 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.256 -16.355 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.846 -18.073 -0.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.388 -18.778 0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.727 -18.749 1.048 1.00 0.00 H new ATOM 797 N ALA A 53 -3.780 -16.879 0.091 1.00 0.00 N ATOM 798 CA ALA A 53 -4.005 -17.720 -1.072 1.00 0.00 C ATOM 799 C ALA A 53 -4.658 -19.041 -0.681 1.00 0.00 C ATOM 800 O ALA A 53 -4.482 -19.526 0.437 1.00 0.00 O ATOM 801 CB ALA A 53 -2.695 -17.972 -1.803 1.00 0.00 C ATOM 0 H ALA A 53 -2.981 -17.156 0.662 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.687 -17.194 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.879 -18.604 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.271 -17.022 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.995 -18.471 -1.133 1.00 0.00 H new ATOM 885 N PRO A 59 0.096 -17.583 -0.478 1.00 0.00 N ATOM 886 CA PRO A 59 -0.546 -16.294 -0.216 1.00 0.00 C ATOM 887 C PRO A 59 -0.304 -15.287 -1.335 1.00 0.00 C ATOM 888 O PRO A 59 0.748 -15.297 -1.974 1.00 0.00 O ATOM 889 CB PRO A 59 0.125 -15.837 1.077 1.00 0.00 C ATOM 890 CG PRO A 59 0.462 -17.102 1.790 1.00 0.00 C ATOM 891 CD PRO A 59 0.752 -18.128 0.724 1.00 0.00 C ATOM 0 HA PRO A 59 -1.631 -16.377 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.018 -15.246 0.873 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.542 -15.212 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.326 -16.963 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.365 -17.423 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.824 -18.254 0.572 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.350 -19.106 0.990 1.00 0.00 H new ATOM 899 N CYS A 60 -1.285 -14.423 -1.569 1.00 0.00 N ATOM 900 CA CYS A 60 -1.178 -13.413 -2.613 1.00 0.00 C ATOM 901 C CYS A 60 -1.191 -12.008 -2.021 1.00 0.00 C ATOM 902 O CYS A 60 -2.191 -11.572 -1.450 1.00 0.00 O ATOM 903 CB CYS A 60 -2.322 -13.565 -3.618 1.00 0.00 C ATOM 904 SG CYS A 60 -3.484 -14.891 -3.219 1.00 0.00 S ATOM 0 H CYS A 60 -2.163 -14.402 -1.050 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.228 -13.560 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.868 -12.623 -3.676 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.901 -13.751 -4.606 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.415 -14.939 -4.125 1.00 0.00 H new ATOM 910 N ILE A 61 -0.075 -11.304 -2.167 1.00 0.00 N ATOM 911 CA ILE A 61 0.050 -9.947 -1.656 1.00 0.00 C ATOM 912 C ILE A 61 0.105 -8.945 -2.806 1.00 0.00 C ATOM 913 O ILE A 61 0.788 -9.177 -3.803 1.00 0.00 O ATOM 914 CB ILE A 61 1.313 -9.799 -0.783 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.595 -8.327 -0.487 1.00 0.00 C ATOM 916 CG2 ILE A 61 2.505 -10.449 -1.468 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.293 -8.103 0.837 1.00 0.00 C ATOM 0 H ILE A 61 0.760 -11.654 -2.638 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.827 -9.742 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 61 1.140 -10.307 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.209 -7.914 -1.287 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.654 -7.777 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.390 -10.338 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.302 -11.508 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.679 -9.967 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.462 -7.036 0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.671 -8.486 1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.250 -8.626 0.837 1.00 0.00 H new ATOM 929 N LYS A 62 -0.626 -7.840 -2.677 1.00 0.00 N ATOM 930 CA LYS A 62 -0.652 -6.833 -3.734 1.00 0.00 C ATOM 931 C LYS A 62 -0.713 -5.411 -3.179 1.00 0.00 C ATOM 932 O LYS A 62 -1.292 -5.156 -2.121 1.00 0.00 O ATOM 933 CB LYS A 62 -1.839 -7.076 -4.665 1.00 0.00 C ATOM 934 CG LYS A 62 -2.268 -5.840 -5.439 1.00 0.00 C ATOM 935 CD LYS A 62 -3.230 -6.193 -6.562 1.00 0.00 C ATOM 936 CE LYS A 62 -3.995 -4.971 -7.045 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.457 -4.121 -5.913 1.00 0.00 N ATOM 0 H LYS A 62 -1.200 -7.621 -1.863 1.00 0.00 H new ATOM 0 HA LYS A 62 0.280 -6.929 -4.291 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.581 -7.865 -5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.683 -7.438 -4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.743 -5.131 -4.761 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.389 -5.345 -5.853 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.676 -6.629 -7.393 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.933 -6.950 -6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.358 -4.382 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.855 -5.290 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.884 -3.249 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.163 -4.641 -5.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.647 -3.878 -5.308 1.00 0.00 H new ATOM 951 N HIS A 63 -0.105 -4.489 -3.920 1.00 0.00 N ATOM 952 CA HIS A 63 -0.071 -3.081 -3.548 1.00 0.00 C ATOM 953 C HIS A 63 -0.730 -2.222 -4.626 1.00 0.00 C ATOM 954 O HIS A 63 -0.775 -2.605 -5.796 1.00 0.00 O ATOM 955 CB HIS A 63 1.374 -2.627 -3.331 1.00 0.00 C ATOM 956 CG HIS A 63 2.349 -3.759 -3.234 1.00 0.00 C ATOM 957 ND1 HIS A 63 3.086 -4.231 -4.296 1.00 0.00 N ATOM 958 CD2 HIS A 63 2.703 -4.517 -2.165 1.00 0.00 C ATOM 959 CE1 HIS A 63 3.847 -5.239 -3.852 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.653 -5.454 -2.565 1.00 0.00 N ATOM 0 H HIS A 63 0.377 -4.698 -4.794 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.627 -2.959 -2.618 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.668 -1.974 -4.153 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.427 -2.034 -2.418 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.058 -3.876 -5.252 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.311 -4.411 -1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.531 -5.803 -4.468 1.00 0.00 H new ATOM 968 N TYR A 64 -1.206 -1.047 -4.235 1.00 0.00 N ATOM 969 CA TYR A 64 -1.824 -0.116 -5.180 1.00 0.00 C ATOM 970 C TYR A 64 -1.432 1.319 -4.859 1.00 0.00 C ATOM 971 O TYR A 64 -1.608 1.789 -3.734 1.00 0.00 O ATOM 972 CB TYR A 64 -3.358 -0.228 -5.233 1.00 0.00 C ATOM 973 CG TYR A 64 -4.015 -0.824 -4.013 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.401 -0.782 -2.781 1.00 0.00 C ATOM 975 CD2 TYR A 64 -5.264 -1.426 -4.104 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.001 -1.323 -1.668 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.873 -1.970 -2.993 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.237 -1.918 -1.777 1.00 0.00 C ATOM 979 OH TYR A 64 -5.839 -2.461 -0.664 1.00 0.00 O ATOM 0 H TYR A 64 -1.178 -0.713 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.445 -0.396 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.771 0.768 -5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.630 -0.831 -6.100 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -2.431 -0.316 -2.687 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -5.765 -1.468 -5.060 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.503 -1.281 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.844 -2.434 -3.079 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.152 -3.366 -0.870 1.00 0.00 H new ATOM 989 N HIS A 65 -0.908 2.016 -5.861 1.00 0.00 N ATOM 990 CA HIS A 65 -0.501 3.403 -5.695 1.00 0.00 C ATOM 991 C HIS A 65 -1.719 4.315 -5.742 1.00 0.00 C ATOM 992 O HIS A 65 -2.482 4.293 -6.707 1.00 0.00 O ATOM 993 CB HIS A 65 0.492 3.804 -6.785 1.00 0.00 C ATOM 994 CG HIS A 65 0.567 5.281 -6.993 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.500 6.290 -6.091 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.715 5.881 -8.224 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 0.605 7.507 -6.756 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 0.734 7.207 -8.033 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.756 1.641 -6.797 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.015 3.507 -4.725 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.481 3.429 -6.523 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.207 3.325 -7.722 1.00 0.00 H new ATOM 0 HD1 HIS A 65 0.390 6.175 -5.083 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.800 5.373 -9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.585 8.494 -6.317 1.00 0.00 H new ATOM 1006 N ILE A 66 -1.904 5.110 -4.697 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.041 6.017 -4.634 1.00 0.00 C ATOM 1008 C ILE A 66 -2.880 7.161 -5.624 1.00 0.00 C ATOM 1009 O ILE A 66 -1.899 7.902 -5.581 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.246 6.595 -3.221 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -3.576 5.478 -2.227 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.350 7.639 -3.235 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.011 4.128 -2.614 1.00 0.00 C ATOM 0 H ILE A 66 -1.286 5.145 -3.886 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.921 5.429 -4.895 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.320 7.073 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.192 5.754 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.659 5.395 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.485 8.040 -2.230 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.078 8.447 -3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.280 7.180 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.287 3.389 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.414 3.829 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.925 4.193 -2.678 1.00 0.00 H new ATOM 1025 N LYS A 67 -3.852 7.298 -6.517 1.00 0.00 N ATOM 1026 CA LYS A 67 -3.822 8.351 -7.518 1.00 0.00 C ATOM 1027 C LYS A 67 -4.415 9.637 -6.959 1.00 0.00 C ATOM 1028 O LYS A 67 -5.437 9.612 -6.268 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.591 7.918 -8.768 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.109 6.601 -9.354 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.159 5.975 -10.258 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.668 4.671 -10.863 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.651 4.099 -11.824 1.00 0.00 N ATOM 0 H LYS A 67 -4.671 6.691 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.783 8.536 -7.790 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.649 7.830 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.504 8.697 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.193 6.767 -9.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.864 5.911 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.069 5.792 -9.687 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.417 6.673 -11.055 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.720 4.842 -11.372 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.477 3.951 -10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.278 3.210 -12.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.548 3.912 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.814 4.775 -12.597 1.00 0.00 H new ATOM 1047 N GLU A 68 -3.762 10.758 -7.252 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.216 12.057 -6.771 1.00 0.00 C ATOM 1049 C GLU A 68 -4.874 12.857 -7.893 1.00 0.00 C ATOM 1050 O GLU A 68 -4.502 12.729 -9.059 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.040 12.847 -6.193 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.023 12.889 -4.673 1.00 0.00 C ATOM 1053 CD GLU A 68 -2.540 14.219 -4.132 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -1.624 14.811 -4.740 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -3.078 14.670 -3.099 1.00 0.00 O ATOM 0 H GLU A 68 -2.916 10.792 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.955 11.887 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.108 12.406 -6.546 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.075 13.867 -6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.027 12.691 -4.297 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.379 12.093 -4.298 1.00 0.00 H new ATOM 1062 N THR A 69 -5.848 13.691 -7.532 1.00 0.00 N ATOM 1063 CA THR A 69 -6.545 14.519 -8.513 1.00 0.00 C ATOM 1064 C THR A 69 -6.985 15.854 -7.907 1.00 0.00 C ATOM 1065 O THR A 69 -6.222 16.502 -7.192 1.00 0.00 O ATOM 1066 CB THR A 69 -7.753 13.779 -9.096 1.00 0.00 C ATOM 1067 OG1 THR A 69 -8.956 14.222 -8.493 1.00 0.00 O ATOM 1068 CG2 THR A 69 -7.681 12.276 -8.936 1.00 0.00 C ATOM 0 H THR A 69 -6.171 13.811 -6.572 1.00 0.00 H new ATOM 0 HA THR A 69 -5.842 14.728 -9.319 1.00 0.00 H new ATOM 0 HB THR A 69 -7.738 14.010 -10.161 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.722 13.860 -8.986 1.00 0.00 H new ATOM 0 HG21 THR A 69 -8.570 11.821 -9.372 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.793 11.898 -9.444 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.628 12.025 -7.877 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.289 13.559 -3.286 1.00 0.00 N ATOM 1150 CA ARG A 75 -8.017 13.757 -3.931 1.00 0.00 C ATOM 1151 C ARG A 75 -7.152 12.492 -3.973 1.00 0.00 C ATOM 1152 O ARG A 75 -5.976 12.559 -4.325 1.00 0.00 O ATOM 1153 CB ARG A 75 -7.261 14.883 -3.246 1.00 0.00 C ATOM 1154 CG ARG A 75 -6.371 15.633 -4.207 1.00 0.00 C ATOM 1155 CD ARG A 75 -6.220 14.847 -5.496 1.00 0.00 C ATOM 1156 NE ARG A 75 -7.522 14.434 -6.053 1.00 0.00 N ATOM 1157 CZ ARG A 75 -7.848 13.173 -6.366 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -6.982 12.187 -6.173 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -9.047 12.897 -6.853 1.00 0.00 N ATOM 0 HA ARG A 75 -8.229 14.021 -4.967 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.972 15.575 -2.795 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.657 14.474 -2.436 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.795 16.615 -4.418 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.393 15.799 -3.756 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.689 15.454 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.609 13.963 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.222 15.159 -6.211 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.061 12.386 -5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.238 11.229 -6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.726 13.645 -6.991 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.292 11.936 -7.090 1.00 0.00 H new ATOM 1173 N TYR A 76 -7.715 11.349 -3.607 1.00 0.00 N ATOM 1174 CA TYR A 76 -6.959 10.102 -3.612 1.00 0.00 C ATOM 1175 C TYR A 76 -7.764 8.987 -4.242 1.00 0.00 C ATOM 1176 O TYR A 76 -8.903 8.734 -3.852 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.572 9.677 -2.194 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.001 10.781 -1.348 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -6.281 12.103 -1.628 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -5.189 10.495 -0.263 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -5.772 13.121 -0.855 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -4.669 11.505 0.523 1.00 0.00 C ATOM 1183 CZ TYR A 76 -4.965 12.819 0.224 1.00 0.00 C ATOM 1184 OH TYR A 76 -4.450 13.832 1.002 1.00 0.00 O ATOM 0 H TYR A 76 -8.685 11.258 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.055 10.283 -4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.453 9.273 -1.696 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.843 8.869 -2.256 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.912 12.343 -2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -4.959 9.466 -0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -6.002 14.150 -1.091 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.036 11.268 1.365 1.00 0.00 H new ATOM 0 HH TYR A 76 -3.904 13.448 1.720 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.167 8.305 -5.201 1.00 0.00 N ATOM 1195 CA TYR A 77 -7.852 7.198 -5.847 1.00 0.00 C ATOM 1196 C TYR A 77 -6.898 6.127 -6.337 1.00 0.00 C ATOM 1197 O TYR A 77 -5.879 6.414 -6.964 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.698 7.685 -7.030 1.00 0.00 C ATOM 1199 CG TYR A 77 -7.891 8.132 -8.232 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.124 9.290 -8.181 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -7.900 7.404 -9.423 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -6.391 9.712 -9.273 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.168 7.822 -10.519 1.00 0.00 C ATOM 1204 CZ TYR A 77 -6.417 8.974 -10.438 1.00 0.00 C ATOM 1205 OH TYR A 77 -5.688 9.393 -11.528 1.00 0.00 O ATOM 0 H TYR A 77 -6.226 8.492 -5.547 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.496 6.761 -5.084 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.369 6.883 -7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.323 8.514 -6.698 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.101 9.871 -7.271 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.488 6.500 -9.489 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.801 10.615 -9.215 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.185 7.248 -11.434 1.00 0.00 H new ATOM 0 HH TYR A 77 -5.813 8.762 -12.267 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.286 4.885 -6.097 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.527 3.744 -6.562 1.00 0.00 C ATOM 1217 C VAL A 78 -7.466 2.903 -7.403 1.00 0.00 C ATOM 1218 O VAL A 78 -7.625 1.699 -7.206 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.983 2.914 -5.388 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.608 3.411 -4.975 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.948 2.977 -4.214 1.00 0.00 C ATOM 0 H VAL A 78 -8.130 4.644 -5.578 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.665 4.078 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.888 1.876 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.239 2.811 -4.143 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.922 3.324 -5.817 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.675 4.455 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.554 2.386 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.067 4.013 -3.896 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.916 2.577 -4.517 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.088 3.600 -8.340 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.049 3.030 -9.264 1.00 0.00 C ATOM 1233 C ALA A 79 -9.628 4.156 -10.112 1.00 0.00 C ATOM 1234 O ALA A 79 -9.533 5.321 -9.738 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.143 2.286 -8.516 1.00 0.00 C ATOM 0 H ALA A 79 -7.934 4.598 -8.481 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.556 2.305 -9.911 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.852 1.867 -9.230 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.700 1.481 -7.930 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.663 2.976 -7.851 1.00 0.00 H new ATOM 1241 N GLU A 80 -10.221 3.826 -11.243 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.791 4.850 -12.105 1.00 0.00 C ATOM 1243 C GLU A 80 -12.223 5.176 -11.715 1.00 0.00 C ATOM 1244 O GLU A 80 -13.156 5.006 -12.499 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.711 4.427 -13.567 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.934 3.139 -13.780 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.260 3.082 -15.138 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.897 3.482 -16.134 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.093 2.638 -15.203 1.00 0.00 O ATOM 0 H GLU A 80 -10.321 2.871 -11.586 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.202 5.758 -11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.721 4.302 -13.957 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.243 5.225 -14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.179 3.041 -13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.610 2.290 -13.678 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.372 5.662 -10.493 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.674 6.045 -9.960 1.00 0.00 C ATOM 1258 C LYS A 81 -13.620 6.145 -8.440 1.00 0.00 C ATOM 1259 O LYS A 81 -14.529 6.682 -7.807 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.749 5.049 -10.396 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.992 5.072 -9.522 1.00 0.00 C ATOM 1262 CD LYS A 81 -16.086 3.830 -8.652 1.00 0.00 C ATOM 1263 CE LYS A 81 -15.408 2.642 -9.313 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.661 1.375 -8.574 1.00 0.00 N ATOM 0 H LYS A 81 -11.598 5.803 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.934 7.025 -10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.035 5.264 -11.426 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.327 4.044 -10.386 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -15.977 5.960 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.879 5.144 -10.151 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.622 4.025 -7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.133 3.595 -8.462 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.768 2.543 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.334 2.822 -9.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.755 0.918 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.172 1.583 -7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.233 0.738 -9.164 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.534 5.638 -7.859 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.341 5.686 -6.416 1.00 0.00 C ATOM 1280 C TYR A 82 -11.469 6.882 -6.043 1.00 0.00 C ATOM 1281 O TYR A 82 -10.306 6.722 -5.683 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.679 4.397 -5.918 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.334 3.127 -6.411 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.506 2.886 -7.770 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -12.771 2.160 -5.512 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.095 1.716 -8.214 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.361 0.992 -5.952 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.520 0.774 -7.304 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.105 -0.391 -7.744 1.00 0.00 O ATOM 0 H TYR A 82 -11.774 5.189 -8.370 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.318 5.788 -5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.634 4.396 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -11.688 4.396 -4.828 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -12.175 3.622 -8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -12.647 2.326 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.221 1.542 -9.272 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.697 0.252 -5.240 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.346 -0.947 -6.974 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.039 8.079 -6.138 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.322 9.303 -5.824 1.00 0.00 C ATOM 1301 C VAL A 83 -11.771 9.837 -4.475 1.00 0.00 C ATOM 1302 O VAL A 83 -12.955 10.099 -4.265 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.555 10.360 -6.921 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.317 11.760 -6.390 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -10.668 10.075 -8.126 1.00 0.00 C ATOM 0 H VAL A 83 -13.005 8.224 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.256 9.082 -5.779 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.596 10.301 -7.238 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.489 12.485 -7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.002 11.958 -5.565 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.289 11.845 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.843 10.829 -8.893 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.622 10.102 -7.822 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.904 9.089 -8.526 1.00 0.00 H new ATOM 1315 N PHE A 84 -10.826 9.973 -3.550 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.149 10.452 -2.214 1.00 0.00 C ATOM 1317 C PHE A 84 -9.999 11.250 -1.594 1.00 0.00 C ATOM 1318 O PHE A 84 -8.834 10.962 -1.842 1.00 0.00 O ATOM 1319 CB PHE A 84 -11.505 9.268 -1.321 1.00 0.00 C ATOM 1320 CG PHE A 84 -11.985 8.069 -2.087 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.095 7.297 -2.813 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.325 7.718 -2.082 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.531 6.194 -3.522 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -13.768 6.615 -2.789 1.00 0.00 C ATOM 1325 CZ PHE A 84 -12.869 5.852 -3.510 1.00 0.00 C ATOM 0 H PHE A 84 -9.840 9.760 -3.700 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.002 11.126 -2.298 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -10.630 8.989 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.278 9.573 -0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.048 7.560 -2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.031 8.312 -1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.826 5.600 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -14.815 6.350 -2.778 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.212 4.990 -4.063 1.00 0.00 H new ATOM 1335 N ASP A 85 -10.333 12.241 -0.769 1.00 0.00 N ATOM 1336 CA ASP A 85 -9.327 13.065 -0.107 1.00 0.00 C ATOM 1337 C ASP A 85 -8.750 12.367 1.118 1.00 0.00 C ATOM 1338 O ASP A 85 -8.032 12.979 1.910 1.00 0.00 O ATOM 1339 CB ASP A 85 -9.929 14.412 0.297 1.00 0.00 C ATOM 1340 CG ASP A 85 -9.829 14.666 1.788 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -8.727 15.021 2.257 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.853 14.511 2.487 1.00 0.00 O ATOM 0 H ASP A 85 -11.296 12.492 -0.544 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.515 13.229 -0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.418 15.211 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.976 14.444 -0.005 1.00 0.00 H new ATOM 1347 N SER A 86 -9.063 11.085 1.276 1.00 0.00 N ATOM 1348 CA SER A 86 -8.570 10.320 2.407 1.00 0.00 C ATOM 1349 C SER A 86 -8.199 8.903 1.990 1.00 0.00 C ATOM 1350 O SER A 86 -9.067 8.083 1.694 1.00 0.00 O ATOM 1351 CB SER A 86 -9.620 10.278 3.519 1.00 0.00 C ATOM 1352 OG SER A 86 -9.615 11.479 4.272 1.00 0.00 O ATOM 0 H SER A 86 -9.655 10.558 0.634 1.00 0.00 H new ATOM 0 HA SER A 86 -7.673 10.814 2.781 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.608 10.121 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.423 9.432 4.177 1.00 0.00 H new ATOM 0 HG SER A 86 -9.144 12.177 3.771 1.00 0.00 H new ATOM 1358 N ILE A 87 -6.906 8.610 1.976 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.454 7.283 1.600 1.00 0.00 C ATOM 1360 C ILE A 87 -7.083 6.250 2.528 1.00 0.00 C ATOM 1361 O ILE A 87 -7.498 5.176 2.092 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.917 7.173 1.633 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.393 6.674 0.283 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.462 6.263 2.761 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -3.953 7.793 -0.635 1.00 0.00 C ATOM 0 H ILE A 87 -6.162 9.265 2.218 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.769 7.092 0.574 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.504 8.164 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.553 6.000 0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.173 6.093 -0.210 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.374 6.202 2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.804 6.666 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.881 5.267 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.593 7.373 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.797 8.454 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.152 8.360 -0.160 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.208 6.587 3.822 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.839 5.704 4.801 1.00 0.00 C ATOM 1379 C PRO A 88 -9.292 5.460 4.423 1.00 0.00 C ATOM 1380 O PRO A 88 -9.765 4.322 4.396 1.00 0.00 O ATOM 1381 CB PRO A 88 -7.754 6.486 6.116 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.714 7.531 5.883 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.785 7.860 4.419 1.00 0.00 C ATOM 0 HA PRO A 88 -7.360 4.727 4.863 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.714 6.936 6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.478 5.834 6.945 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.904 8.415 6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.724 7.164 6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.499 8.659 4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.821 8.189 4.031 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.981 6.548 4.082 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.364 6.459 3.653 1.00 0.00 C ATOM 1393 C LEU A 89 -11.404 5.672 2.367 1.00 0.00 C ATOM 1394 O LEU A 89 -12.227 4.774 2.186 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.956 7.847 3.434 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.550 8.082 2.045 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -13.467 9.293 2.052 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -11.442 8.255 1.019 1.00 0.00 C ATOM 0 H LEU A 89 -9.601 7.494 4.096 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.956 5.964 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.734 8.016 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.178 8.590 3.611 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.142 7.209 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.879 9.443 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.280 9.130 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.901 10.176 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.880 8.421 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.825 9.111 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.825 7.356 0.994 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.460 5.993 1.497 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.327 5.297 0.242 1.00 0.00 C ATOM 1412 C LEU A 90 -10.010 3.845 0.571 1.00 0.00 C ATOM 1413 O LEU A 90 -10.563 2.911 -0.027 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.243 5.964 -0.605 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.288 5.028 -1.332 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.901 5.628 -2.675 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.061 4.783 -0.475 1.00 0.00 C ATOM 0 H LEU A 90 -9.776 6.735 1.644 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.242 5.335 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.729 6.600 -1.345 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.657 6.617 0.041 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.780 4.072 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.217 4.954 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.796 5.771 -3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.412 6.589 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.380 4.112 -0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.559 5.730 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.362 4.330 0.470 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.186 3.666 1.609 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.882 2.333 2.090 1.00 0.00 C ATOM 1431 C ILE A 91 -10.206 1.715 2.493 1.00 0.00 C ATOM 1432 O ILE A 91 -10.534 0.592 2.112 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.966 2.331 3.335 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.507 2.663 2.997 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -8.048 0.982 4.029 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.009 2.088 1.690 1.00 0.00 C ATOM 0 H ILE A 91 -8.728 4.421 2.119 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.360 1.789 1.303 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.323 3.116 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.394 3.747 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.871 2.298 3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.401 0.984 4.906 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.076 0.793 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.726 0.199 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.969 2.376 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.084 1.001 1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.615 2.472 0.869 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.985 2.501 3.246 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.304 2.073 3.677 1.00 0.00 C ATOM 1450 C GLN A 92 -13.174 1.839 2.456 1.00 0.00 C ATOM 1451 O GLN A 92 -13.970 0.902 2.409 1.00 0.00 O ATOM 1452 CB GLN A 92 -12.940 3.121 4.592 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.153 3.805 3.982 1.00 0.00 C ATOM 1454 CD GLN A 92 -15.072 4.403 5.029 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.869 4.218 6.228 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -16.092 5.125 4.577 1.00 0.00 N ATOM 0 H GLN A 92 -10.718 3.433 3.564 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.213 1.146 4.242 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.234 2.644 5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.194 3.876 4.840 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.820 4.591 3.304 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.710 3.084 3.384 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.222 5.252 3.573 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -16.745 5.552 5.234 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.993 2.696 1.457 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.734 2.587 0.213 1.00 0.00 C ATOM 1467 C TYR A 93 -13.384 1.278 -0.467 1.00 0.00 C ATOM 1468 O TYR A 93 -14.253 0.581 -0.992 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.429 3.766 -0.710 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.551 4.078 -1.674 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.657 4.814 -1.267 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -14.506 3.633 -2.989 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.686 5.098 -2.146 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -15.531 3.913 -3.872 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.618 4.646 -3.446 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.642 4.927 -4.322 1.00 0.00 O ATOM 0 H TYR A 93 -12.336 3.476 1.488 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.801 2.606 0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.224 4.649 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.523 3.550 -1.276 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -15.714 5.170 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.656 3.059 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.539 5.672 -1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.481 3.559 -4.891 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.439 4.538 -5.198 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.106 0.931 -0.413 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.634 -0.318 -0.981 1.00 0.00 C ATOM 1488 C HIS A 94 -11.913 -1.438 0.007 1.00 0.00 C ATOM 1489 O HIS A 94 -11.285 -2.493 -0.025 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.142 -0.236 -1.313 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.807 0.922 -2.195 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -10.178 0.990 -3.520 1.00 0.00 N ATOM 1493 CD2 HIS A 94 -9.148 2.072 -1.930 1.00 0.00 C ATOM 1494 CE1 HIS A 94 -9.761 2.132 -4.034 1.00 0.00 C ATOM 1495 NE2 HIS A 94 -9.132 2.808 -3.090 1.00 0.00 N ATOM 0 H HIS A 94 -11.378 1.500 0.020 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.161 -0.518 -1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.572 -0.158 -0.387 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.832 -1.160 -1.801 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.695 0.270 -4.025 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.715 2.359 -0.983 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.909 2.458 -5.053 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.888 -1.182 0.878 1.00 0.00 N ATOM 1505 CA GLN A 95 -13.321 -2.116 1.886 1.00 0.00 C ATOM 1506 C GLN A 95 -14.240 -1.445 2.853 1.00 0.00 C ATOM 1507 O GLN A 95 -13.851 -0.849 3.856 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.180 -2.761 2.595 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.735 -3.996 1.871 1.00 0.00 C ATOM 1510 CD GLN A 95 -12.838 -4.611 1.033 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -13.293 -3.873 0.023 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -13.279 -5.732 1.287 1.00 0.00 N flip ATOM 0 H GLN A 95 -13.401 -0.300 0.893 1.00 0.00 H new ATOM 0 HA GLN A 95 -13.862 -2.914 1.377 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.349 -2.059 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.476 -3.017 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -10.890 -3.751 1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -11.382 -4.730 2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.901 -6.263 2.071 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.023 -6.130 0.713 1.00 0.00 H new ATOM 1521 N TYR A 96 -15.463 -1.570 2.478 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.594 -1.007 3.204 1.00 0.00 C ATOM 1523 C TYR A 96 -17.529 -0.291 2.238 1.00 0.00 C ATOM 1524 O TYR A 96 -18.697 -0.049 2.545 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.111 -0.035 4.281 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.129 1.022 4.645 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.100 0.777 5.607 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.119 2.264 4.024 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.032 1.740 5.941 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.048 3.233 4.353 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.003 2.966 5.312 1.00 0.00 C ATOM 1532 OH TYR A 96 -19.930 3.928 5.641 1.00 0.00 O ATOM 0 H TYR A 96 -15.734 -2.078 1.636 1.00 0.00 H new ATOM 0 HA TYR A 96 -17.135 -1.820 3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.850 -0.599 5.176 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.200 0.454 3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -18.127 -0.182 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.373 2.476 3.272 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -19.780 1.533 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -18.026 4.195 3.862 1.00 0.00 H new ATOM 0 HH TYR A 96 -19.769 4.734 5.107 1.00 0.00 H new ATOM 1542 N ASN A 97 -17.002 0.043 1.063 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.771 0.727 0.038 1.00 0.00 C ATOM 1544 C ASN A 97 -17.573 0.068 -1.322 1.00 0.00 C ATOM 1545 O ASN A 97 -17.558 0.736 -2.354 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.376 2.203 -0.033 1.00 0.00 C ATOM 1547 CG ASN A 97 -18.484 3.123 0.442 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -18.963 2.893 1.659 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -18.904 4.030 -0.277 1.00 0.00 N flip ATOM 0 H ASN A 97 -16.036 -0.153 0.800 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.825 0.656 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.486 2.367 0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.113 2.457 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.506 4.170 -1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.650 4.641 0.056 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.425 -1.251 -1.311 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.233 -1.990 -2.546 1.00 0.00 C ATOM 1558 C GLY A 98 -15.921 -1.655 -3.235 1.00 0.00 C ATOM 1559 O GLY A 98 -15.888 -0.842 -4.158 1.00 0.00 O ATOM 0 H GLY A 98 -17.434 -1.824 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.264 -3.059 -2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.059 -1.776 -3.224 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.841 -2.290 -2.791 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.538 -2.047 -3.386 1.00 0.00 C ATOM 1565 C GLY A 99 -13.367 -2.765 -4.712 1.00 0.00 C ATOM 1566 O GLY A 99 -14.350 -3.152 -5.344 1.00 0.00 O ATOM 0 H GLY A 99 -14.844 -2.969 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.404 -0.976 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.760 -2.373 -2.696 1.00 0.00 H new ATOM 1570 N GLY A 100 -12.118 -2.944 -5.137 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.859 -3.621 -6.396 1.00 0.00 C ATOM 1572 C GLY A 100 -10.381 -3.867 -6.647 1.00 0.00 C ATOM 1573 O GLY A 100 -9.965 -4.050 -7.791 1.00 0.00 O ATOM 0 H GLY A 100 -11.286 -2.634 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -12.387 -4.575 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.266 -3.025 -7.213 1.00 0.00 H new ATOM 1577 N LEU A 101 -9.585 -3.868 -5.582 1.00 0.00 N ATOM 1578 CA LEU A 101 -8.151 -4.088 -5.702 1.00 0.00 C ATOM 1579 C LEU A 101 -7.663 -5.082 -4.655 1.00 0.00 C ATOM 1580 O LEU A 101 -8.148 -5.092 -3.528 1.00 0.00 O ATOM 1581 CB LEU A 101 -7.414 -2.766 -5.536 1.00 0.00 C ATOM 1582 CG LEU A 101 -8.312 -1.561 -5.265 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -8.621 -1.446 -3.779 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.664 -0.285 -5.780 1.00 0.00 C ATOM 0 H LEU A 101 -9.911 -3.719 -4.627 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.948 -4.501 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.703 -2.863 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.834 -2.574 -6.439 1.00 0.00 H new ATOM 0 HG LEU A 101 -9.252 -1.706 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.262 -0.581 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.131 -2.349 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.692 -1.325 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -8.319 0.563 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.709 -0.134 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.500 -0.368 -6.854 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.695 -5.911 -5.033 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.139 -6.906 -4.121 1.00 0.00 C ATOM 1598 C VAL A 102 -7.031 -7.084 -2.898 1.00 0.00 C ATOM 1599 O VAL A 102 -6.927 -6.331 -1.931 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.729 -6.511 -3.649 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.712 -5.070 -3.160 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.243 -7.456 -2.557 1.00 0.00 C ATOM 0 H VAL A 102 -6.279 -5.914 -5.964 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.082 -7.844 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.049 -6.592 -4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.706 -4.809 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.011 -4.407 -3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.407 -4.960 -2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.244 -7.159 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.924 -7.411 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.212 -8.474 -2.944 1.00 0.00 H new ATOM 1612 N THR A 103 -7.913 -8.078 -2.948 1.00 0.00 N ATOM 1613 CA THR A 103 -8.825 -8.334 -1.839 1.00 0.00 C ATOM 1614 C THR A 103 -9.160 -7.030 -1.132 1.00 0.00 C ATOM 1615 O THR A 103 -9.441 -7.007 0.066 1.00 0.00 O ATOM 1616 CB THR A 103 -8.211 -9.329 -0.855 1.00 0.00 C ATOM 1617 OG1 THR A 103 -9.139 -10.348 -0.527 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.755 -8.689 0.438 1.00 0.00 C ATOM 0 H THR A 103 -8.015 -8.715 -3.738 1.00 0.00 H new ATOM 0 HA THR A 103 -9.743 -8.768 -2.235 1.00 0.00 H new ATOM 0 HB THR A 103 -7.339 -9.738 -1.365 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.657 -11.176 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.329 -9.451 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.000 -7.932 0.223 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.606 -8.222 0.933 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.122 -5.950 -1.901 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.412 -4.616 -1.390 1.00 0.00 C ATOM 1628 C ARG A 104 -8.785 -4.397 -0.017 1.00 0.00 C ATOM 1629 O ARG A 104 -8.354 -5.344 0.641 1.00 0.00 O ATOM 1630 CB ARG A 104 -10.922 -4.401 -1.319 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.719 -5.444 -2.086 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.122 -4.954 -2.406 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.148 -5.803 -1.806 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.441 -5.712 -2.094 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.865 -4.814 -2.973 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -16.313 -6.519 -1.503 1.00 0.00 N ATOM 0 H ARG A 104 -8.890 -5.973 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.976 -3.890 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.234 -4.412 -0.275 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.159 -3.412 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.199 -5.691 -3.012 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.778 -6.361 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.240 -3.932 -2.045 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.259 -4.928 -3.487 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.855 -6.506 -1.127 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.197 -4.192 -3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.859 -4.745 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.990 -7.211 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -17.306 -6.448 -1.725 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.741 -3.140 0.416 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.172 -2.803 1.716 1.00 0.00 C ATOM 1652 C LEU A 105 -8.891 -3.579 2.814 1.00 0.00 C ATOM 1653 O LEU A 105 -9.985 -3.207 3.229 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.289 -1.301 1.975 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.089 -0.461 1.535 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.804 -0.983 2.160 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.979 -0.441 0.017 1.00 0.00 C ATOM 0 H LEU A 105 -9.091 -2.341 -0.113 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.117 -3.076 1.718 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.177 -0.930 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.447 -1.145 3.042 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.243 0.561 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.965 -0.370 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.884 -0.939 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.642 -2.015 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.120 0.161 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.852 -1.459 -0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.886 -0.011 -0.408 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.288 -4.672 3.262 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.903 -5.506 4.282 1.00 0.00 C ATOM 1671 C ARG A 106 -8.286 -5.301 5.663 1.00 0.00 C ATOM 1672 O ARG A 106 -8.891 -4.685 6.539 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.793 -6.978 3.885 1.00 0.00 C ATOM 1674 CG ARG A 106 -10.100 -7.572 3.386 1.00 0.00 C ATOM 1675 CD ARG A 106 -11.136 -7.650 4.496 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.651 -8.410 5.644 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.257 -8.422 6.827 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -12.367 -7.720 7.013 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -10.756 -9.140 7.823 1.00 0.00 N ATOM 0 H ARG A 106 -7.378 -4.999 2.936 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.950 -5.209 4.348 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.036 -7.080 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.447 -7.553 4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.487 -6.966 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.918 -8.569 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.402 -6.642 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -12.045 -8.114 4.112 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.801 -8.962 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.757 -7.170 6.248 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.831 -7.730 7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.905 -9.684 7.682 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.222 -9.148 8.730 1.00 0.00 H new ATOM 1693 N TYR A 107 -7.093 -5.848 5.856 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.407 -5.760 7.137 1.00 0.00 C ATOM 1695 C TYR A 107 -5.163 -4.886 7.060 1.00 0.00 C ATOM 1696 O TYR A 107 -4.301 -5.083 6.206 1.00 0.00 O ATOM 1697 CB TYR A 107 -6.016 -7.162 7.607 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.848 -7.280 9.105 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -6.391 -6.332 9.964 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -5.147 -8.342 9.662 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -6.239 -6.439 11.333 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -4.991 -8.456 11.030 1.00 0.00 C ATOM 1703 CZ TYR A 107 -5.539 -7.503 11.861 1.00 0.00 C ATOM 1704 OH TYR A 107 -5.386 -7.614 13.224 1.00 0.00 O ATOM 0 H TYR A 107 -6.579 -6.359 5.138 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.093 -5.300 7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.777 -7.870 7.280 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -5.083 -7.450 7.123 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.941 -5.498 9.554 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.716 -9.092 9.015 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.666 -5.693 11.986 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.442 -9.288 11.446 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.869 -8.420 13.431 1.00 0.00 H new ATOM 1714 N PRO A 108 -5.054 -3.907 7.967 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.911 -2.998 8.027 1.00 0.00 C ATOM 1716 C PRO A 108 -2.686 -3.662 8.646 1.00 0.00 C ATOM 1717 O PRO A 108 -2.748 -4.172 9.765 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.400 -1.858 8.933 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.848 -2.125 9.186 1.00 0.00 C ATOM 1720 CD PRO A 108 -6.031 -3.604 9.011 1.00 0.00 C ATOM 0 HA PRO A 108 -3.602 -2.670 7.034 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.839 -1.834 9.867 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.260 -0.890 8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.133 -1.812 10.191 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.475 -1.569 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.829 -4.152 9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -7.046 -3.857 8.706 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.575 -3.653 7.920 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.347 -4.254 8.409 1.00 0.00 C ATOM 1730 C VAL A 109 0.760 -3.216 8.559 1.00 0.00 C ATOM 1731 O VAL A 109 1.929 -3.497 8.300 1.00 0.00 O ATOM 1732 CB VAL A 109 0.139 -5.384 7.483 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.553 -5.808 7.852 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.812 -6.567 7.547 1.00 0.00 C ATOM 0 H VAL A 109 -1.502 -3.236 6.992 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.575 -4.675 9.388 1.00 0.00 H new ATOM 0 HB VAL A 109 0.153 -5.010 6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.879 -6.607 7.186 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.226 -4.956 7.752 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.569 -6.164 8.882 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.455 -7.357 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.858 -6.942 8.570 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.806 -6.252 7.231 1.00 0.00 H new ATOM 1744 N CYS A 110 0.384 -2.014 8.986 1.00 0.00 N ATOM 1745 CA CYS A 110 1.346 -0.935 9.173 1.00 0.00 C ATOM 1746 C CYS A 110 2.638 -1.456 9.794 1.00 0.00 C ATOM 1747 O CYS A 110 2.845 -1.351 11.003 1.00 0.00 O ATOM 1748 CB CYS A 110 0.750 0.161 10.059 1.00 0.00 C ATOM 1749 SG CYS A 110 -0.247 -0.463 11.432 1.00 0.00 S ATOM 0 H CYS A 110 -0.579 -1.764 9.209 1.00 0.00 H new ATOM 0 HA CYS A 110 1.577 -0.517 8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.560 0.770 10.460 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.133 0.816 9.444 1.00 0.00 H new ATOM 0 HG CYS A 110 -0.212 0.387 12.415 1.00 0.00 H new ATOM 1755 N GLY A 111 3.504 -2.021 8.958 1.00 0.00 N ATOM 1756 CA GLY A 111 4.765 -2.551 9.446 1.00 0.00 C ATOM 1757 C GLY A 111 4.594 -3.859 10.194 1.00 0.00 C ATOM 1758 O GLY A 111 5.161 -3.988 11.299 1.00 0.00 O ATOM 0 H GLY A 111 3.356 -2.121 7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.442 -2.703 8.605 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.233 -1.819 10.104 1.00 0.00 H new