USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 994 hydrogens (97 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 ASNHD21 : A 65 ASN ND2 : A 106 NAG C1 :(H bumps) USER MOD Set 1.1: A 84 SER OG : rot 139:sc= -0.49 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.0823 USER MOD Set 2.1: A 60 TYR OH : rot 165:sc= 0.823 USER MOD Set 2.2: A 81 TYR OH : rot -159:sc= -1.06! USER MOD Set 3.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 135:sc= 0.024 (180deg=-0.00817) USER MOD Single : A 1 LYS NZ :NH3+ -149:sc= -0.0126 (180deg=-0.186) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0751 F(o=-2.2!,f=-0.075) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.11! USER MOD Single : A 15 GLN : amide:sc= -0.698 K(o=-0.7,f=-4.4!) USER MOD Single : A 18 ASN : amide:sc= -0.492 K(o=-0.49,f=-3.3!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00629 X(o=-0.0063,f=-0.0063) USER MOD Single : A 26 MET CE :methyl -131:sc= -0.171 (180deg=-1.61!) USER MOD Single : A 27 SER OG : rot -102:sc= 0.0695 USER MOD Single : A 34 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0036) USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= 0.273 (180deg=0.0194) USER MOD Single : A 38 THR OG1 : rot 130:sc= -1.43 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.31! C(o=-7.3!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -165:sc= -0.0224 (180deg=-0.323) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 40:sc= -0.719 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -8.36! C(o=-8.4!,f=-18!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.00059) USER MOD Single : A 92 ASN :FLIP amide:sc= 0.434 F(o=-0.26,f=0.43) USER MOD Single : A 96 LYS NZ :NH3+ -159:sc= -0.0359 (180deg=-0.29) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 NAG O3 : rot 180:sc= 0 USER MOD Single : A 106 NAG O6 : rot 180:sc= -0.799 USER MOD Single : A 107 NAG O3 : rot -85:sc= 0.667 USER MOD Single : A 107 NAG O6 : rot 180:sc= 0 USER MOD Single : A 108 BMA O2 : rot -30:sc= 0.0299 USER MOD Single : A 108 BMA O4 : rot 160:sc= 0 USER MOD Single : A 109 MAN O3 : rot 180:sc= -0.0618 USER MOD Single : A 109 MAN O4 : rot -143:sc= 0.237 USER MOD Single : A 109 MAN O6 : rot 180:sc= 0.228 USER MOD Single : A 110 MAN O2 : rot 155:sc= 0.03 USER MOD Single : A 110 MAN O3 : rot 180:sc= 0.0347 USER MOD Single : A 110 MAN O4 : rot 180:sc= 0 USER MOD Single : A 110 MAN O6 : rot 180:sc= 0 USER MOD Single : A 111 MAN O2 : rot 154:sc= 0.0401 USER MOD Single : A 111 MAN O4 : rot 170:sc= 0 USER MOD Single : A 112 MAN O2 : rot -12:sc= 0.741 USER MOD Single : A 112 MAN O3 : rot 36:sc= 0.0317 USER MOD Single : A 112 MAN O4 : rot 170:sc= 0 USER MOD Single : A 112 MAN O6 : rot 180:sc= 0 USER MOD Single : A 113 MAN O3 : rot 26:sc= 0.0234 USER MOD Single : A 113 MAN O4 : rot 180:sc= 0 USER MOD Single : A 113 MAN O6 : rot 180:sc=-0.00769 USER MOD Single : A 114 MAN O2 : rot 157:sc= 0.0311 USER MOD Single : A 114 MAN O3 : rot 180:sc= 0.0326 USER MOD Single : A 114 MAN O4 : rot 160:sc= 0 USER MOD Single : A 114 MAN O6 : rot 28:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 22.163 4.484 -9.081 1.00 0.00 N ATOM 2 CA LYS A 1 20.846 4.534 -8.453 1.00 0.00 C ATOM 3 C LYS A 1 19.751 4.396 -9.483 1.00 0.00 C ATOM 4 O LYS A 1 19.871 4.843 -10.633 1.00 0.00 O ATOM 5 CB LYS A 1 20.701 5.862 -7.661 1.00 0.00 C ATOM 6 CG LYS A 1 20.596 7.113 -8.569 1.00 0.00 C ATOM 7 CD LYS A 1 21.548 8.255 -8.205 1.00 0.00 C ATOM 8 CE LYS A 1 21.812 8.231 -6.693 1.00 0.00 C ATOM 9 NZ LYS A 1 20.564 8.544 -5.974 1.00 0.00 N ATOM 0 H1 LYS A 1 22.763 5.238 -8.689 1.00 0.00 H new ATOM 0 H2 LYS A 1 22.602 3.560 -8.894 1.00 0.00 H new ATOM 0 H3 LYS A 1 22.064 4.619 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 1 20.750 3.697 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 1 19.814 5.805 -7.030 1.00 0.00 H new ATOM 0 HB3 LYS A 1 21.558 5.975 -6.997 1.00 0.00 H new ATOM 0 HG2 LYS A 1 20.788 6.813 -9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 1 19.573 7.486 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 1 22.485 8.151 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 1 21.114 9.212 -8.495 1.00 0.00 H new ATOM 0 HE2 LYS A 1 22.182 7.251 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 1 22.585 8.956 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 20.789 9.032 -5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 19.968 9.158 -6.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 20.053 7.662 -5.765 1.00 0.00 H new ATOM 25 N GLU A 2 18.665 3.756 -9.092 1.00 0.00 N ATOM 26 CA GLU A 2 17.514 3.573 -9.972 1.00 0.00 C ATOM 27 C GLU A 2 16.381 4.490 -9.578 1.00 0.00 C ATOM 28 O GLU A 2 16.027 4.621 -8.396 1.00 0.00 O ATOM 29 CB GLU A 2 17.080 2.082 -9.911 1.00 0.00 C ATOM 30 CG GLU A 2 17.265 1.336 -8.548 1.00 0.00 C ATOM 31 CD GLU A 2 18.619 0.686 -8.254 1.00 0.00 C ATOM 32 OE1 GLU A 2 19.527 0.638 -9.073 1.00 0.00 O ATOM 33 OE2 GLU A 2 18.716 0.166 -6.998 1.00 0.00 O ATOM 0 H GLU A 2 18.551 3.349 -8.164 1.00 0.00 H new ATOM 0 HA GLU A 2 17.788 3.830 -10.995 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.027 2.026 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.638 1.537 -10.672 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.057 2.048 -7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.503 0.559 -8.488 1.00 0.00 H new ATOM 40 N ILE A 3 15.797 5.145 -10.563 1.00 0.00 N ATOM 41 CA ILE A 3 14.666 6.040 -10.337 1.00 0.00 C ATOM 42 C ILE A 3 13.395 5.465 -10.917 1.00 0.00 C ATOM 43 O ILE A 3 13.133 5.526 -12.127 1.00 0.00 O ATOM 44 CB ILE A 3 14.958 7.495 -10.889 1.00 0.00 C ATOM 45 CG1 ILE A 3 16.470 7.812 -11.122 1.00 0.00 C ATOM 46 CG2 ILE A 3 14.363 8.617 -9.982 1.00 0.00 C ATOM 47 CD1 ILE A 3 17.294 8.132 -9.857 1.00 0.00 C ATOM 0 H ILE A 3 16.087 5.076 -11.539 1.00 0.00 H new ATOM 0 HA ILE A 3 14.523 6.131 -9.260 1.00 0.00 H new ATOM 0 HB ILE A 3 14.459 7.491 -11.858 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.927 6.959 -11.624 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.543 8.659 -11.804 1.00 0.00 H new ATOM 0 HG21 ILE A 3 14.595 9.592 -10.410 1.00 0.00 H new ATOM 0 HG22 ILE A 3 13.282 8.497 -9.917 1.00 0.00 H new ATOM 0 HG23 ILE A 3 14.797 8.547 -8.984 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.327 8.336 -10.138 1.00 0.00 H new ATOM 0 HD12 ILE A 3 16.874 9.007 -9.361 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.264 7.280 -9.178 1.00 0.00 H new ATOM 59 N THR A 4 12.573 4.904 -10.049 1.00 0.00 N ATOM 60 CA THR A 4 11.247 4.420 -10.418 1.00 0.00 C ATOM 61 C THR A 4 10.170 5.259 -9.768 1.00 0.00 C ATOM 62 O THR A 4 10.431 6.186 -8.989 1.00 0.00 O ATOM 63 CB THR A 4 11.085 2.911 -10.032 1.00 0.00 C ATOM 64 OG1 THR A 4 11.664 2.656 -8.759 1.00 0.00 O ATOM 65 CG2 THR A 4 11.755 1.887 -10.974 1.00 0.00 C ATOM 0 H THR A 4 12.803 4.769 -9.064 1.00 0.00 H new ATOM 0 HA THR A 4 11.139 4.510 -11.499 1.00 0.00 H new ATOM 0 HB THR A 4 10.005 2.772 -10.077 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.552 1.709 -8.533 1.00 0.00 H new ATOM 0 HG21 THR A 4 11.574 0.878 -10.603 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.337 1.986 -11.976 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.828 2.073 -11.009 1.00 0.00 H new ATOM 73 N ASN A 5 8.930 4.948 -10.107 1.00 0.00 N ATOM 74 CA ASN A 5 7.776 5.602 -9.498 1.00 0.00 C ATOM 75 C ASN A 5 6.719 4.588 -9.128 1.00 0.00 C ATOM 76 O ASN A 5 5.512 4.763 -9.347 1.00 0.00 O ATOM 77 CB ASN A 5 7.203 6.668 -10.477 1.00 0.00 C ATOM 78 CG ASN A 5 7.445 6.437 -11.973 1.00 0.00 C ATOM 79 OD1 ASN A 5 6.856 5.427 -12.556 1.00 0.00 O flip ATOM 80 ND2 ASN A 5 8.168 7.164 -12.638 1.00 0.00 N flip ATOM 0 H ASN A 5 8.692 4.243 -10.805 1.00 0.00 H new ATOM 0 HA ASN A 5 8.093 6.099 -8.581 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.127 6.735 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.627 7.636 -10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.636 7.957 -12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 5 8.304 6.978 -13.632 1.00 0.00 H new ATOM 87 N ALA A 6 7.177 3.482 -8.549 1.00 0.00 N ATOM 88 CA ALA A 6 6.282 2.369 -8.245 1.00 0.00 C ATOM 89 C ALA A 6 6.806 1.482 -7.135 1.00 0.00 C ATOM 90 O ALA A 6 7.944 1.587 -6.659 1.00 0.00 O ATOM 91 CB ALA A 6 6.059 1.592 -9.555 1.00 0.00 C ATOM 0 H ALA A 6 8.150 3.332 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 6 5.334 2.751 -7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.393 0.749 -9.369 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.611 2.252 -10.298 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.015 1.224 -9.927 1.00 0.00 H new ATOM 97 N LEU A 7 5.955 0.558 -6.713 1.00 0.00 N ATOM 98 CA LEU A 7 6.242 -0.353 -5.609 1.00 0.00 C ATOM 99 C LEU A 7 6.244 -1.786 -6.084 1.00 0.00 C ATOM 100 O LEU A 7 5.206 -2.346 -6.475 1.00 0.00 O ATOM 101 CB LEU A 7 5.221 -0.143 -4.453 1.00 0.00 C ATOM 102 CG LEU A 7 4.543 -1.375 -3.796 1.00 0.00 C ATOM 103 CD1 LEU A 7 5.607 -2.314 -3.209 1.00 0.00 C ATOM 104 CD2 LEU A 7 3.541 -0.991 -2.693 1.00 0.00 C ATOM 0 H LEU A 7 5.035 0.416 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 7 7.238 -0.130 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 7 5.731 0.408 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.428 0.503 -4.831 1.00 0.00 H new ATOM 0 HG LEU A 7 3.984 -1.879 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.120 -3.175 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.271 -2.654 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.186 -1.781 -2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.100 -1.894 -2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.058 -0.439 -1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.754 -0.367 -3.117 1.00 0.00 H new ATOM 116 N GLU A 8 7.410 -2.411 -6.091 1.00 0.00 N ATOM 117 CA GLU A 8 7.510 -3.835 -6.408 1.00 0.00 C ATOM 118 C GLU A 8 7.150 -4.676 -5.204 1.00 0.00 C ATOM 119 O GLU A 8 7.984 -4.994 -4.345 1.00 0.00 O ATOM 120 CB GLU A 8 8.946 -4.153 -6.908 1.00 0.00 C ATOM 121 CG GLU A 8 10.104 -3.174 -6.527 1.00 0.00 C ATOM 122 CD GLU A 8 11.531 -3.547 -6.936 1.00 0.00 C ATOM 123 OE1 GLU A 8 11.782 -4.243 -7.911 1.00 0.00 O ATOM 124 OE2 GLU A 8 12.489 -3.035 -6.116 1.00 0.00 O ATOM 0 H GLU A 8 8.301 -1.960 -5.882 1.00 0.00 H new ATOM 0 HA GLU A 8 6.802 -4.079 -7.200 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.214 -5.143 -6.538 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.911 -4.218 -7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.876 -2.202 -6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.090 -3.047 -5.444 1.00 0.00 H new ATOM 131 N THR A 9 5.891 -5.066 -5.135 1.00 0.00 N ATOM 132 CA THR A 9 5.340 -5.772 -3.980 1.00 0.00 C ATOM 133 C THR A 9 5.240 -7.254 -4.265 1.00 0.00 C ATOM 134 O THR A 9 5.013 -7.663 -5.417 1.00 0.00 O ATOM 135 CB THR A 9 3.945 -5.174 -3.595 1.00 0.00 C ATOM 136 OG1 THR A 9 3.893 -4.876 -2.207 1.00 0.00 O ATOM 137 CG2 THR A 9 2.721 -6.084 -3.834 1.00 0.00 C ATOM 0 H THR A 9 5.213 -4.904 -5.880 1.00 0.00 H new ATOM 0 HA THR A 9 6.011 -5.639 -3.132 1.00 0.00 H new ATOM 0 HB THR A 9 3.875 -4.307 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.015 -4.502 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 9 1.814 -5.561 -3.530 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.657 -6.337 -4.892 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.827 -6.997 -3.249 1.00 0.00 H new ATOM 145 N TRP A 10 5.381 -8.084 -3.250 1.00 0.00 N ATOM 146 CA TRP A 10 5.448 -9.534 -3.422 1.00 0.00 C ATOM 147 C TRP A 10 4.666 -10.244 -2.343 1.00 0.00 C ATOM 148 O TRP A 10 4.485 -9.720 -1.226 1.00 0.00 O ATOM 149 CB TRP A 10 6.936 -9.980 -3.365 1.00 0.00 C ATOM 150 CG TRP A 10 7.773 -9.567 -4.580 1.00 0.00 C ATOM 151 CD1 TRP A 10 8.611 -8.436 -4.658 1.00 0.00 C ATOM 152 CD2 TRP A 10 7.800 -10.145 -5.831 1.00 0.00 C ATOM 153 NE1 TRP A 10 9.163 -8.287 -5.946 1.00 0.00 N ATOM 154 CE2 TRP A 10 8.644 -9.359 -6.655 1.00 0.00 C ATOM 155 CE3 TRP A 10 7.169 -11.307 -6.344 1.00 0.00 C ATOM 156 CZ2 TRP A 10 8.833 -9.711 -8.010 1.00 0.00 C ATOM 157 CZ3 TRP A 10 7.314 -11.592 -7.703 1.00 0.00 C ATOM 158 CH2 TRP A 10 8.123 -10.798 -8.527 1.00 0.00 C ATOM 0 H TRP A 10 5.453 -7.778 -2.280 1.00 0.00 H new ATOM 0 HA TRP A 10 5.011 -9.795 -4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.392 -9.563 -2.467 1.00 0.00 H new ATOM 0 HB3 TRP A 10 6.973 -11.065 -3.267 1.00 0.00 H new ATOM 0 HD1 TRP A 10 8.806 -7.767 -3.833 1.00 0.00 H new ATOM 0 HE1 TRP A 10 9.796 -7.560 -6.279 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.592 -11.954 -5.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 9.513 -9.151 -8.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 6.794 -12.439 -8.126 1.00 0.00 H new ATOM 0 HH2 TRP A 10 8.199 -11.030 -9.579 1.00 0.00 H new ATOM 169 N GLY A 11 4.163 -11.433 -2.630 1.00 0.00 N ATOM 170 CA GLY A 11 3.477 -12.239 -1.625 1.00 0.00 C ATOM 171 C GLY A 11 3.409 -13.698 -2.011 1.00 0.00 C ATOM 172 O GLY A 11 3.961 -14.151 -3.024 1.00 0.00 O ATOM 0 H GLY A 11 4.215 -11.865 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.993 -12.142 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.467 -11.855 -1.482 1.00 0.00 H new ATOM 176 N ALA A 12 2.737 -14.476 -1.180 1.00 0.00 N ATOM 177 CA ALA A 12 2.435 -15.878 -1.460 1.00 0.00 C ATOM 178 C ALA A 12 0.954 -16.065 -1.698 1.00 0.00 C ATOM 179 O ALA A 12 0.135 -15.195 -1.322 1.00 0.00 O ATOM 180 CB ALA A 12 2.965 -16.716 -0.284 1.00 0.00 C ATOM 0 H ALA A 12 2.380 -14.153 -0.281 1.00 0.00 H new ATOM 0 HA ALA A 12 2.926 -16.211 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.754 -17.770 -0.464 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.041 -16.572 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.476 -16.400 0.637 1.00 0.00 H new ATOM 186 N LEU A 13 0.552 -17.179 -2.286 1.00 0.00 N ATOM 187 CA LEU A 13 -0.850 -17.351 -2.689 1.00 0.00 C ATOM 188 C LEU A 13 -1.742 -17.680 -1.510 1.00 0.00 C ATOM 189 O LEU A 13 -1.426 -18.496 -0.634 1.00 0.00 O ATOM 190 CB LEU A 13 -1.016 -18.432 -3.793 1.00 0.00 C ATOM 191 CG LEU A 13 -0.590 -18.129 -5.253 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.918 -18.320 -5.483 1.00 0.00 C ATOM 193 CD2 LEU A 13 -1.372 -19.028 -6.226 1.00 0.00 C ATOM 0 H LEU A 13 1.159 -17.971 -2.496 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.162 -16.392 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.459 -19.312 -3.470 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.069 -18.712 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.820 -17.080 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.159 -18.094 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.474 -17.650 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.192 -19.352 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.067 -18.809 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.164 -20.074 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.440 -18.839 -6.118 1.00 0.00 H new ATOM 205 N GLY A 14 -2.899 -17.033 -1.492 1.00 0.00 N ATOM 206 CA GLY A 14 -3.841 -17.148 -0.383 1.00 0.00 C ATOM 207 C GLY A 14 -3.389 -16.305 0.786 1.00 0.00 C ATOM 208 O GLY A 14 -3.629 -16.645 1.959 1.00 0.00 O ATOM 0 H GLY A 14 -3.212 -16.416 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.832 -16.830 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.925 -18.191 -0.076 1.00 0.00 H new ATOM 212 N GLN A 15 -2.750 -15.185 0.504 1.00 0.00 N ATOM 213 CA GLN A 15 -2.106 -14.399 1.558 1.00 0.00 C ATOM 214 C GLN A 15 -2.395 -12.929 1.387 1.00 0.00 C ATOM 215 O GLN A 15 -2.184 -12.332 0.323 1.00 0.00 O ATOM 216 CB GLN A 15 -0.587 -14.675 1.536 1.00 0.00 C ATOM 217 CG GLN A 15 0.118 -14.760 2.931 1.00 0.00 C ATOM 218 CD GLN A 15 -0.356 -15.803 3.951 1.00 0.00 C ATOM 219 OE1 GLN A 15 -1.537 -16.099 4.053 1.00 0.00 O ATOM 220 NE2 GLN A 15 0.508 -16.374 4.751 1.00 0.00 N ATOM 0 H GLN A 15 -2.659 -14.796 -0.434 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.509 -14.695 2.527 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.416 -15.613 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -0.104 -13.889 0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.179 -14.936 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.033 -13.780 3.401 1.00 0.00 H new ATOM 0 HE21 GLN A 15 1.499 -16.141 4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.191 -17.052 5.444 1.00 0.00 H new ATOM 229 N ASP A 16 -2.847 -12.307 2.461 1.00 0.00 N ATOM 230 CA ASP A 16 -3.329 -10.930 2.423 1.00 0.00 C ATOM 231 C ASP A 16 -2.173 -9.957 2.413 1.00 0.00 C ATOM 232 O ASP A 16 -1.192 -10.088 3.158 1.00 0.00 O ATOM 233 CB ASP A 16 -4.319 -10.689 3.597 1.00 0.00 C ATOM 234 CG ASP A 16 -4.383 -9.268 4.172 1.00 0.00 C ATOM 235 OD1 ASP A 16 -4.449 -8.264 3.478 1.00 0.00 O ATOM 236 OD2 ASP A 16 -4.329 -9.249 5.541 1.00 0.00 O ATOM 0 H ASP A 16 -2.892 -12.738 3.385 1.00 0.00 H new ATOM 0 HA ASP A 16 -3.877 -10.757 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.318 -10.963 3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.058 -11.371 4.406 1.00 0.00 H new ATOM 241 N ILE A 17 -2.265 -8.966 1.541 1.00 0.00 N ATOM 242 CA ILE A 17 -1.155 -8.048 1.300 1.00 0.00 C ATOM 243 C ILE A 17 -1.604 -6.607 1.352 1.00 0.00 C ATOM 244 O ILE A 17 -2.707 -6.246 0.918 1.00 0.00 O ATOM 245 CB ILE A 17 -0.423 -8.390 -0.064 1.00 0.00 C ATOM 246 CG1 ILE A 17 1.058 -7.901 -0.157 1.00 0.00 C ATOM 247 CG2 ILE A 17 -1.189 -7.851 -1.312 1.00 0.00 C ATOM 248 CD1 ILE A 17 1.258 -6.392 -0.405 1.00 0.00 C ATOM 0 H ILE A 17 -3.098 -8.773 0.985 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.431 -8.182 2.104 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.417 -9.480 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.566 -8.167 0.770 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.551 -8.449 -0.960 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.641 -8.115 -2.217 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.184 -8.295 -1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.277 -6.767 -1.244 1.00 0.00 H new ATOM 0 HD11 ILE A 17 2.324 -6.169 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.788 -6.113 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.804 -5.826 0.408 1.00 0.00 H new ATOM 260 N ASN A 18 -0.738 -5.751 1.866 1.00 0.00 N ATOM 261 CA ASN A 18 -1.081 -4.352 2.108 1.00 0.00 C ATOM 262 C ASN A 18 -0.613 -3.461 0.979 1.00 0.00 C ATOM 263 O ASN A 18 -0.088 -3.906 -0.051 1.00 0.00 O ATOM 264 CB ASN A 18 -0.461 -3.891 3.459 1.00 0.00 C ATOM 265 CG ASN A 18 -0.549 -4.865 4.639 1.00 0.00 C ATOM 266 OD1 ASN A 18 -0.334 -6.061 4.517 1.00 0.00 O ATOM 267 ND2 ASN A 18 -0.863 -4.397 5.817 1.00 0.00 N ATOM 0 H ASN A 18 0.216 -5.999 2.127 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.167 -4.269 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.591 -3.663 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.946 -2.960 3.753 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.925 -5.028 6.616 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.046 -3.401 5.938 1.00 0.00 H new ATOM 274 N LEU A 19 -0.778 -2.164 1.174 1.00 0.00 N ATOM 275 CA LEU A 19 -0.524 -1.163 0.143 1.00 0.00 C ATOM 276 C LEU A 19 -0.118 0.154 0.765 1.00 0.00 C ATOM 277 O LEU A 19 -0.917 1.095 0.880 1.00 0.00 O ATOM 278 CB LEU A 19 -1.776 -0.994 -0.766 1.00 0.00 C ATOM 279 CG LEU A 19 -1.799 -1.744 -2.125 1.00 0.00 C ATOM 280 CD1 LEU A 19 -0.503 -1.563 -2.932 1.00 0.00 C ATOM 281 CD2 LEU A 19 -2.062 -3.240 -1.900 1.00 0.00 C ATOM 0 H LEU A 19 -1.095 -1.769 2.059 1.00 0.00 H new ATOM 0 HA LEU A 19 0.303 -1.505 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.648 -1.312 -0.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.899 0.070 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.607 -1.305 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.580 -2.111 -3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.349 -0.504 -3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.340 -1.946 -2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.076 -3.755 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.273 -3.658 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.024 -3.370 -1.405 1.00 0.00 H new ATOM 293 N ASP A 20 1.135 0.248 1.172 1.00 0.00 N ATOM 294 CA ASP A 20 1.655 1.426 1.866 1.00 0.00 C ATOM 295 C ASP A 20 2.187 2.430 0.869 1.00 0.00 C ATOM 296 O ASP A 20 3.297 2.314 0.333 1.00 0.00 O ATOM 297 CB ASP A 20 2.719 1.012 2.915 1.00 0.00 C ATOM 298 CG ASP A 20 2.457 -0.292 3.683 1.00 0.00 C ATOM 299 OD1 ASP A 20 2.790 -1.406 2.965 1.00 0.00 O ATOM 300 OD2 ASP A 20 1.981 -0.319 4.809 1.00 0.00 O ATOM 0 H ASP A 20 1.827 -0.489 1.033 1.00 0.00 H new ATOM 0 HA ASP A 20 0.844 1.911 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.680 0.922 2.408 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.816 1.821 3.640 1.00 0.00 H new ATOM 305 N ILE A 21 1.385 3.459 0.624 1.00 0.00 N ATOM 306 CA ILE A 21 1.666 4.410 -0.449 1.00 0.00 C ATOM 307 C ILE A 21 2.748 5.400 -0.089 1.00 0.00 C ATOM 308 O ILE A 21 3.925 5.243 -0.506 1.00 0.00 O ATOM 309 CB ILE A 21 0.311 5.080 -0.962 1.00 0.00 C ATOM 310 CG1 ILE A 21 0.454 6.490 -1.625 1.00 0.00 C ATOM 311 CG2 ILE A 21 -0.789 5.177 0.140 1.00 0.00 C ATOM 312 CD1 ILE A 21 1.769 6.760 -2.385 1.00 0.00 C ATOM 0 H ILE A 21 0.535 3.658 1.152 1.00 0.00 H new ATOM 0 HA ILE A 21 2.086 3.861 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 21 0.008 4.380 -1.740 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.376 6.627 -2.318 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.348 7.246 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.682 5.642 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.034 4.177 0.498 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.420 5.780 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.749 7.768 -2.799 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.611 6.666 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.877 6.037 -3.194 1.00 0.00 H new ATOM 324 N PRO A 22 2.434 6.443 0.650 1.00 0.00 N ATOM 325 CA PRO A 22 3.333 7.634 0.991 1.00 0.00 C ATOM 326 C PRO A 22 4.158 7.523 2.250 1.00 0.00 C ATOM 327 O PRO A 22 3.889 6.731 3.165 1.00 0.00 O ATOM 328 CB PRO A 22 2.368 8.808 1.177 1.00 0.00 C ATOM 329 CG PRO A 22 1.226 8.103 1.928 1.00 0.00 C ATOM 330 CD PRO A 22 1.131 6.706 1.303 1.00 0.00 C ATOM 0 HA PRO A 22 4.066 7.727 0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.808 9.620 1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.042 9.233 0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.436 8.042 2.996 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.288 8.647 1.818 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.921 5.955 2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.318 6.661 0.578 1.00 0.00 H new ATOM 338 N SER A 23 5.191 8.348 2.327 1.00 0.00 N ATOM 339 CA SER A 23 5.969 8.538 3.545 1.00 0.00 C ATOM 340 C SER A 23 5.418 9.690 4.358 1.00 0.00 C ATOM 341 O SER A 23 6.135 10.323 5.153 1.00 0.00 O ATOM 342 CB SER A 23 7.468 8.750 3.216 1.00 0.00 C ATOM 343 OG SER A 23 8.038 7.651 2.494 1.00 0.00 O ATOM 0 H SER A 23 5.517 8.910 1.540 1.00 0.00 H new ATOM 0 HA SER A 23 5.887 7.633 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.581 9.662 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.022 8.896 4.143 1.00 0.00 H new ATOM 0 HG SER A 23 8.983 7.835 2.310 1.00 0.00 H new ATOM 349 N PHE A 24 4.152 10.010 4.170 1.00 0.00 N ATOM 350 CA PHE A 24 3.524 11.194 4.753 1.00 0.00 C ATOM 351 C PHE A 24 2.842 10.868 6.061 1.00 0.00 C ATOM 352 O PHE A 24 2.776 9.713 6.504 1.00 0.00 O ATOM 353 CB PHE A 24 2.460 11.760 3.762 1.00 0.00 C ATOM 354 CG PHE A 24 2.268 13.283 3.716 1.00 0.00 C ATOM 355 CD1 PHE A 24 3.067 14.081 2.894 1.00 0.00 C ATOM 356 CD2 PHE A 24 1.236 13.872 4.455 1.00 0.00 C ATOM 357 CE1 PHE A 24 2.831 15.451 2.807 1.00 0.00 C ATOM 358 CE2 PHE A 24 0.998 15.239 4.364 1.00 0.00 C ATOM 359 CZ PHE A 24 1.801 16.030 3.545 1.00 0.00 C ATOM 0 H PHE A 24 3.517 9.451 3.601 1.00 0.00 H new ATOM 0 HA PHE A 24 4.306 11.930 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.724 11.425 2.759 1.00 0.00 H new ATOM 0 HB3 PHE A 24 1.499 11.308 4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.869 13.635 2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.621 13.262 5.100 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.447 16.065 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.192 15.687 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.625 17.094 3.482 1.00 0.00 H new ATOM 369 N GLN A 25 2.313 11.897 6.699 1.00 0.00 N ATOM 370 CA GLN A 25 1.500 11.743 7.902 1.00 0.00 C ATOM 371 C GLN A 25 0.332 12.702 7.888 1.00 0.00 C ATOM 372 O GLN A 25 0.365 13.787 8.486 1.00 0.00 O ATOM 373 CB GLN A 25 2.389 11.972 9.144 1.00 0.00 C ATOM 374 CG GLN A 25 1.748 11.615 10.527 1.00 0.00 C ATOM 375 CD GLN A 25 1.149 10.218 10.735 1.00 0.00 C ATOM 376 OE1 GLN A 25 -0.018 10.074 11.061 1.00 0.00 O ATOM 377 NE2 GLN A 25 1.891 9.155 10.554 1.00 0.00 N ATOM 0 H GLN A 25 2.432 12.865 6.401 1.00 0.00 H new ATOM 0 HA GLN A 25 1.091 10.733 7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.300 11.385 9.027 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.686 13.021 9.164 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.512 11.762 11.291 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.960 12.342 10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.869 9.256 10.281 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.492 8.226 10.686 1.00 0.00 H new ATOM 386 N MET A 26 -0.719 12.317 7.186 1.00 0.00 N ATOM 387 CA MET A 26 -1.869 13.188 6.966 1.00 0.00 C ATOM 388 C MET A 26 -2.422 13.703 8.276 1.00 0.00 C ATOM 389 O MET A 26 -2.245 13.102 9.345 1.00 0.00 O ATOM 390 CB MET A 26 -2.964 12.431 6.165 1.00 0.00 C ATOM 391 CG MET A 26 -3.628 11.241 6.890 1.00 0.00 C ATOM 392 SD MET A 26 -5.168 11.774 7.655 1.00 0.00 S ATOM 393 CE MET A 26 -6.316 11.030 6.488 1.00 0.00 C ATOM 0 H MET A 26 -0.803 11.397 6.753 1.00 0.00 H new ATOM 0 HA MET A 26 -1.542 14.050 6.385 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.742 13.143 5.888 1.00 0.00 H new ATOM 0 HB3 MET A 26 -2.522 12.066 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.823 10.435 6.182 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.953 10.843 7.648 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.054 11.771 6.181 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.769 10.679 5.613 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.822 10.189 6.961 1.00 0.00 H new ATOM 403 N SER A 27 -3.112 14.826 8.206 1.00 0.00 N ATOM 404 CA SER A 27 -3.699 15.458 9.386 1.00 0.00 C ATOM 405 C SER A 27 -5.056 16.039 9.049 1.00 0.00 C ATOM 406 O SER A 27 -5.966 15.290 8.622 1.00 0.00 O ATOM 407 CB SER A 27 -2.716 16.496 9.986 1.00 0.00 C ATOM 408 OG SER A 27 -3.140 16.992 11.260 1.00 0.00 O ATOM 0 H SER A 27 -3.284 15.329 7.336 1.00 0.00 H new ATOM 0 HA SER A 27 -3.867 14.710 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.731 16.040 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.610 17.331 9.294 1.00 0.00 H new ATOM 0 HG SER A 27 -3.525 17.887 11.151 1.00 0.00 H new ATOM 414 N ASP A 28 -5.272 17.326 9.229 1.00 0.00 N ATOM 415 CA ASP A 28 -6.597 17.923 9.054 1.00 0.00 C ATOM 416 C ASP A 28 -6.840 18.352 7.626 1.00 0.00 C ATOM 417 O ASP A 28 -8.006 18.487 7.191 1.00 0.00 O ATOM 418 CB ASP A 28 -6.780 19.103 10.046 1.00 0.00 C ATOM 419 CG ASP A 28 -5.598 20.073 10.188 1.00 0.00 C ATOM 420 OD1 ASP A 28 -5.426 21.028 9.444 1.00 0.00 O ATOM 421 OD2 ASP A 28 -4.770 19.752 11.227 1.00 0.00 O ATOM 0 H ASP A 28 -4.546 17.990 9.499 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.346 17.163 9.277 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -7.655 19.675 9.737 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.001 18.689 11.030 1.00 0.00 H new ATOM 426 N ASP A 29 -5.796 18.563 6.848 1.00 0.00 N ATOM 427 CA ASP A 29 -5.943 19.121 5.497 1.00 0.00 C ATOM 428 C ASP A 29 -6.351 18.089 4.467 1.00 0.00 C ATOM 429 O ASP A 29 -6.995 18.401 3.455 1.00 0.00 O ATOM 430 CB ASP A 29 -4.633 19.845 5.088 1.00 0.00 C ATOM 431 CG ASP A 29 -4.380 21.221 5.721 1.00 0.00 C ATOM 432 OD1 ASP A 29 -4.735 21.510 6.854 1.00 0.00 O ATOM 433 OD2 ASP A 29 -3.699 22.068 4.891 1.00 0.00 O ATOM 0 H ASP A 29 -4.834 18.360 7.118 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.760 19.841 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.793 19.196 5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.634 19.964 4.004 1.00 0.00 H new ATOM 438 N ILE A 30 -6.000 16.842 4.718 1.00 0.00 N ATOM 439 CA ILE A 30 -6.230 15.763 3.760 1.00 0.00 C ATOM 440 C ILE A 30 -7.596 15.148 3.960 1.00 0.00 C ATOM 441 O ILE A 30 -8.035 14.923 5.106 1.00 0.00 O ATOM 442 CB ILE A 30 -5.076 14.682 3.827 1.00 0.00 C ATOM 443 CG1 ILE A 30 -3.751 15.099 3.112 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.514 13.294 3.264 1.00 0.00 C ATOM 445 CD1 ILE A 30 -3.913 15.815 1.755 1.00 0.00 C ATOM 0 H ILE A 30 -5.550 16.544 5.584 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.209 16.188 2.756 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.875 14.607 4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.190 15.752 3.781 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.147 14.205 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.682 12.593 3.336 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.357 12.916 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.809 13.401 2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.930 16.057 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.440 15.162 1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.484 16.733 1.894 1.00 0.00 H new ATOM 457 N ASP A 31 -8.309 14.880 2.881 1.00 0.00 N ATOM 458 CA ASP A 31 -9.696 14.423 2.974 1.00 0.00 C ATOM 459 C ASP A 31 -9.984 13.234 2.088 1.00 0.00 C ATOM 460 O ASP A 31 -10.688 12.282 2.512 1.00 0.00 O ATOM 461 CB ASP A 31 -10.656 15.606 2.659 1.00 0.00 C ATOM 462 CG ASP A 31 -11.858 15.783 3.597 1.00 0.00 C ATOM 463 OD1 ASP A 31 -12.042 15.088 4.586 1.00 0.00 O ATOM 464 OD2 ASP A 31 -12.701 16.782 3.196 1.00 0.00 O ATOM 0 H ASP A 31 -7.957 14.969 1.928 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.864 14.081 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.076 16.528 2.671 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.032 15.479 1.644 1.00 0.00 H new ATOM 469 N ASP A 32 -9.470 13.197 0.874 1.00 0.00 N ATOM 470 CA ASP A 32 -9.853 12.171 -0.099 1.00 0.00 C ATOM 471 C ASP A 32 -8.756 11.156 -0.326 1.00 0.00 C ATOM 472 O ASP A 32 -7.561 11.470 -0.417 1.00 0.00 O ATOM 473 CB ASP A 32 -10.288 12.845 -1.428 1.00 0.00 C ATOM 474 CG ASP A 32 -11.507 13.777 -1.363 1.00 0.00 C ATOM 475 OD1 ASP A 32 -12.217 13.642 -0.203 1.00 0.00 O ATOM 476 OD2 ASP A 32 -11.801 14.553 -2.261 1.00 0.00 O ATOM 0 H ASP A 32 -8.782 13.866 0.529 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.698 11.617 0.310 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.443 13.417 -1.812 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.498 12.060 -2.154 1.00 0.00 H new ATOM 481 N ILE A 33 -9.155 9.898 -0.407 1.00 0.00 N ATOM 482 CA ILE A 33 -8.263 8.803 -0.775 1.00 0.00 C ATOM 483 C ILE A 33 -8.764 8.112 -2.024 1.00 0.00 C ATOM 484 O ILE A 33 -9.956 8.221 -2.379 1.00 0.00 O ATOM 485 CB ILE A 33 -8.061 7.773 0.412 1.00 0.00 C ATOM 486 CG1 ILE A 33 -7.495 8.372 1.742 1.00 0.00 C ATOM 487 CG2 ILE A 33 -7.152 6.570 0.008 1.00 0.00 C ATOM 488 CD1 ILE A 33 -7.880 9.830 2.063 1.00 0.00 C ATOM 0 H ILE A 33 -10.113 9.602 -0.219 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.283 9.232 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 33 -9.082 7.445 0.609 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.828 7.743 2.567 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.407 8.306 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -7.045 5.894 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.605 6.036 -0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.170 6.939 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.426 10.126 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -7.522 10.484 1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.964 9.912 2.140 1.00 0.00 H new ATOM 500 N LYS A 34 -7.897 7.412 -2.731 1.00 0.00 N ATOM 501 CA LYS A 34 -8.326 6.600 -3.871 1.00 0.00 C ATOM 502 C LYS A 34 -7.371 5.461 -4.155 1.00 0.00 C ATOM 503 O LYS A 34 -6.145 5.547 -4.002 1.00 0.00 O ATOM 504 CB LYS A 34 -8.478 7.513 -5.119 1.00 0.00 C ATOM 505 CG LYS A 34 -9.465 6.953 -6.175 1.00 0.00 C ATOM 506 CD LYS A 34 -8.852 6.676 -7.551 1.00 0.00 C ATOM 507 CE LYS A 34 -9.975 6.394 -8.558 1.00 0.00 C ATOM 508 NZ LYS A 34 -10.513 7.671 -9.062 1.00 0.00 N ATOM 0 H LYS A 34 -6.895 7.384 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.286 6.147 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.819 8.498 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.501 7.649 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.896 6.028 -5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.285 7.661 -6.295 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.261 7.532 -7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.175 5.824 -7.496 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.595 5.795 -9.385 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.767 5.815 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.513 7.548 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.433 8.397 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.973 7.969 -9.899 1.00 0.00 H new ATOM 522 N TRP A 35 -7.940 4.355 -4.608 1.00 0.00 N ATOM 523 CA TRP A 35 -7.188 3.194 -5.070 1.00 0.00 C ATOM 524 C TRP A 35 -7.923 2.507 -6.201 1.00 0.00 C ATOM 525 O TRP A 35 -9.115 2.169 -6.078 1.00 0.00 O ATOM 526 CB TRP A 35 -7.001 2.198 -3.895 1.00 0.00 C ATOM 527 CG TRP A 35 -5.816 2.438 -2.957 1.00 0.00 C ATOM 528 CD1 TRP A 35 -5.872 3.137 -1.731 1.00 0.00 C ATOM 529 CD2 TRP A 35 -4.529 1.954 -3.061 1.00 0.00 C ATOM 530 NE1 TRP A 35 -4.639 3.085 -1.052 1.00 0.00 N ATOM 531 CE2 TRP A 35 -3.823 2.349 -1.896 1.00 0.00 C ATOM 532 CE3 TRP A 35 -3.880 1.205 -4.078 1.00 0.00 C ATOM 533 CZ2 TRP A 35 -2.478 1.956 -1.714 1.00 0.00 C ATOM 534 CZ3 TRP A 35 -2.564 0.795 -3.855 1.00 0.00 C ATOM 535 CH2 TRP A 35 -1.883 1.138 -2.678 1.00 0.00 C ATOM 0 H TRP A 35 -8.951 4.235 -4.667 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.214 3.525 -5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.912 2.206 -3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.903 1.196 -4.313 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.749 3.647 -1.361 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.402 3.494 -0.148 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -4.390 0.959 -4.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.921 2.281 -0.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.060 0.202 -4.604 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.883 0.764 -2.514 1.00 0.00 H new ATOM 546 N GLU A 36 -7.260 2.303 -7.323 1.00 0.00 N ATOM 547 CA GLU A 36 -7.917 1.771 -8.516 1.00 0.00 C ATOM 548 C GLU A 36 -7.143 0.606 -9.085 1.00 0.00 C ATOM 549 O GLU A 36 -5.969 0.376 -8.738 1.00 0.00 O ATOM 550 CB GLU A 36 -8.049 2.920 -9.555 1.00 0.00 C ATOM 551 CG GLU A 36 -9.472 3.222 -10.130 1.00 0.00 C ATOM 552 CD GLU A 36 -9.577 4.051 -11.412 1.00 0.00 C ATOM 553 OE1 GLU A 36 -8.404 4.633 -11.786 1.00 0.00 O ATOM 554 OE2 GLU A 36 -10.619 4.176 -12.041 1.00 0.00 O ATOM 0 H GLU A 36 -6.265 2.496 -7.440 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.907 1.397 -8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.673 3.833 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.391 2.691 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.967 2.268 -10.310 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.041 3.735 -9.355 1.00 0.00 H new ATOM 561 N LYS A 37 -7.758 -0.148 -9.975 1.00 0.00 N ATOM 562 CA LYS A 37 -7.053 -1.202 -10.704 1.00 0.00 C ATOM 563 C LYS A 37 -6.438 -0.625 -11.958 1.00 0.00 C ATOM 564 O LYS A 37 -7.121 -0.409 -12.968 1.00 0.00 O ATOM 565 CB LYS A 37 -8.028 -2.367 -11.027 1.00 0.00 C ATOM 566 CG LYS A 37 -8.623 -3.036 -9.761 1.00 0.00 C ATOM 567 CD LYS A 37 -8.466 -4.558 -9.700 1.00 0.00 C ATOM 568 CE LYS A 37 -9.591 -5.214 -10.512 1.00 0.00 C ATOM 569 NZ LYS A 37 -9.066 -5.638 -11.822 1.00 0.00 N ATOM 0 H LYS A 37 -8.745 -0.056 -10.216 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.250 -1.605 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.841 -1.990 -11.647 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.502 -3.120 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.148 -2.601 -8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.684 -2.792 -9.704 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.495 -4.852 -10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.502 -4.898 -8.665 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.990 -6.073 -9.973 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.414 -4.512 -10.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.613 -6.452 -12.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.148 -4.853 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.066 -5.908 -11.724 1.00 0.00 H new ATOM 583 N THR A 38 -5.153 -0.339 -11.893 1.00 0.00 N ATOM 584 CA THR A 38 -4.435 0.415 -12.920 1.00 0.00 C ATOM 585 C THR A 38 -4.914 0.136 -14.328 1.00 0.00 C ATOM 586 O THR A 38 -5.231 1.059 -15.098 1.00 0.00 O ATOM 587 CB THR A 38 -2.892 0.144 -12.828 1.00 0.00 C ATOM 588 OG1 THR A 38 -2.532 -0.970 -13.634 1.00 0.00 O ATOM 589 CG2 THR A 38 -2.339 -0.190 -11.427 1.00 0.00 C ATOM 0 H THR A 38 -4.561 -0.626 -11.113 1.00 0.00 H new ATOM 0 HA THR A 38 -4.646 1.465 -12.716 1.00 0.00 H new ATOM 0 HB THR A 38 -2.466 1.093 -13.152 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.774 -0.728 -14.207 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.264 -0.357 -11.491 1.00 0.00 H new ATOM 0 HG22 THR A 38 -2.538 0.641 -10.750 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.824 -1.090 -11.049 1.00 0.00 H new ATOM 597 N SER A 39 -5.000 -1.129 -14.691 1.00 0.00 N ATOM 598 CA SER A 39 -5.298 -1.518 -16.068 1.00 0.00 C ATOM 599 C SER A 39 -6.662 -1.042 -16.510 1.00 0.00 C ATOM 600 O SER A 39 -6.796 -0.093 -17.300 1.00 0.00 O ATOM 601 CB SER A 39 -5.155 -3.052 -16.247 1.00 0.00 C ATOM 602 OG SER A 39 -5.407 -3.479 -17.590 1.00 0.00 O ATOM 0 H SER A 39 -4.868 -1.913 -14.052 1.00 0.00 H new ATOM 0 HA SER A 39 -4.568 -1.027 -16.711 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.149 -3.355 -15.957 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.847 -3.558 -15.574 1.00 0.00 H new ATOM 0 HG SER A 39 -5.302 -4.452 -17.649 1.00 0.00 H new ATOM 608 N ASP A 40 -7.703 -1.686 -16.017 1.00 0.00 N ATOM 609 CA ASP A 40 -9.062 -1.439 -16.493 1.00 0.00 C ATOM 610 C ASP A 40 -9.761 -0.326 -15.742 1.00 0.00 C ATOM 611 O ASP A 40 -11.015 -0.258 -15.767 1.00 0.00 O ATOM 612 CB ASP A 40 -9.884 -2.758 -16.436 1.00 0.00 C ATOM 613 CG ASP A 40 -10.268 -3.266 -15.039 1.00 0.00 C ATOM 614 OD1 ASP A 40 -9.479 -3.830 -14.294 1.00 0.00 O ATOM 615 OD2 ASP A 40 -11.569 -2.997 -14.716 1.00 0.00 O ATOM 0 H ASP A 40 -7.638 -2.390 -15.282 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.990 -1.100 -17.526 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.799 -2.615 -17.010 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.312 -3.539 -16.938 1.00 0.00 H new ATOM 620 N LYS A 41 -9.040 0.535 -15.053 1.00 0.00 N ATOM 621 CA LYS A 41 -9.616 1.726 -14.421 1.00 0.00 C ATOM 622 C LYS A 41 -10.812 1.341 -13.578 1.00 0.00 C ATOM 623 O LYS A 41 -11.959 1.751 -13.802 1.00 0.00 O ATOM 624 CB LYS A 41 -9.980 2.774 -15.508 1.00 0.00 C ATOM 625 CG LYS A 41 -11.202 2.408 -16.386 1.00 0.00 C ATOM 626 CD LYS A 41 -11.714 3.535 -17.288 1.00 0.00 C ATOM 627 CE LYS A 41 -11.302 3.249 -18.738 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.215 4.163 -19.128 1.00 0.00 N ATOM 0 H LYS A 41 -8.035 0.437 -14.910 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.883 2.181 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.175 3.729 -15.020 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.116 2.918 -16.156 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.938 1.555 -17.011 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.015 2.087 -15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.799 3.611 -17.214 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.304 4.491 -16.963 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -10.975 2.214 -18.837 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.156 3.378 -19.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.935 3.970 -20.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.543 5.147 -19.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.398 4.019 -18.501 1.00 0.00 H new ATOM 642 N LYS A 42 -10.540 0.543 -12.555 1.00 0.00 N ATOM 643 CA LYS A 42 -11.593 -0.046 -11.734 1.00 0.00 C ATOM 644 C LYS A 42 -11.495 0.397 -10.292 1.00 0.00 C ATOM 645 O LYS A 42 -10.882 -0.245 -9.428 1.00 0.00 O ATOM 646 CB LYS A 42 -11.526 -1.595 -11.843 1.00 0.00 C ATOM 647 CG LYS A 42 -12.841 -2.298 -11.424 1.00 0.00 C ATOM 648 CD LYS A 42 -12.945 -3.769 -11.835 1.00 0.00 C ATOM 649 CE LYS A 42 -13.903 -3.894 -13.028 1.00 0.00 C ATOM 650 NZ LYS A 42 -14.956 -4.874 -12.708 1.00 0.00 N ATOM 0 H LYS A 42 -9.594 0.287 -12.271 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.556 0.302 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.287 -1.870 -12.870 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.712 -1.961 -11.218 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.943 -2.230 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.681 -1.755 -11.858 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.961 -4.155 -12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.306 -4.368 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -14.349 -2.925 -13.254 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.356 -4.208 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.606 -4.961 -13.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.522 -5.799 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -15.484 -4.555 -11.870 1.00 0.00 H new ATOM 664 N LYS A 43 -12.150 1.511 -10.001 1.00 0.00 N ATOM 665 CA LYS A 43 -12.290 2.026 -8.644 1.00 0.00 C ATOM 666 C LYS A 43 -12.663 0.928 -7.673 1.00 0.00 C ATOM 667 O LYS A 43 -13.814 0.474 -7.603 1.00 0.00 O ATOM 668 CB LYS A 43 -13.357 3.157 -8.630 1.00 0.00 C ATOM 669 CG LYS A 43 -14.654 2.786 -9.392 1.00 0.00 C ATOM 670 CD LYS A 43 -15.875 3.645 -9.048 1.00 0.00 C ATOM 671 CE LYS A 43 -17.012 2.737 -8.559 1.00 0.00 C ATOM 672 NZ LYS A 43 -18.172 2.878 -9.457 1.00 0.00 N ATOM 0 H LYS A 43 -12.605 2.090 -10.707 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.330 2.430 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.607 3.398 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.929 4.056 -9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.464 2.864 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.893 1.743 -9.186 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.617 4.372 -8.277 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.196 4.209 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.679 1.699 -8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.292 3.004 -7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.943 2.263 -9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.493 3.867 -9.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.899 2.603 -10.422 1.00 0.00 H new ATOM 686 N ILE A 44 -11.678 0.470 -6.921 1.00 0.00 N ATOM 687 CA ILE A 44 -11.873 -0.574 -5.920 1.00 0.00 C ATOM 688 C ILE A 44 -12.153 0.025 -4.562 1.00 0.00 C ATOM 689 O ILE A 44 -12.978 -0.469 -3.780 1.00 0.00 O ATOM 690 CB ILE A 44 -10.641 -1.568 -5.882 1.00 0.00 C ATOM 691 CG1 ILE A 44 -9.400 -1.032 -5.099 1.00 0.00 C ATOM 692 CG2 ILE A 44 -10.168 -2.001 -7.304 1.00 0.00 C ATOM 693 CD1 ILE A 44 -8.022 -1.376 -5.702 1.00 0.00 C ATOM 0 H ILE A 44 -10.718 0.809 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 44 -12.748 -1.157 -6.206 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.038 -2.428 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.482 0.052 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.439 -1.425 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.321 -2.682 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.985 -2.504 -7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.867 -1.120 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.235 -0.954 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.906 -2.459 -5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.950 -0.959 -6.706 1.00 0.00 H new ATOM 705 N ALA A 45 -11.452 1.101 -4.253 1.00 0.00 N ATOM 706 CA ALA A 45 -11.504 1.724 -2.934 1.00 0.00 C ATOM 707 C ALA A 45 -11.386 3.226 -3.047 1.00 0.00 C ATOM 708 O ALA A 45 -10.495 3.747 -3.748 1.00 0.00 O ATOM 709 CB ALA A 45 -10.388 1.100 -2.078 1.00 0.00 C ATOM 0 H ALA A 45 -10.828 1.572 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.464 1.539 -2.451 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.400 1.546 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.550 0.025 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.422 1.287 -2.547 1.00 0.00 H new ATOM 715 N GLN A 46 -12.247 3.959 -2.363 1.00 0.00 N ATOM 716 CA GLN A 46 -12.226 5.422 -2.440 1.00 0.00 C ATOM 717 C GLN A 46 -12.889 6.067 -1.244 1.00 0.00 C ATOM 718 O GLN A 46 -13.806 5.526 -0.610 1.00 0.00 O ATOM 719 CB GLN A 46 -12.923 5.855 -3.748 1.00 0.00 C ATOM 720 CG GLN A 46 -12.875 4.842 -4.939 1.00 0.00 C ATOM 721 CD GLN A 46 -13.682 5.144 -6.209 1.00 0.00 C ATOM 722 OE1 GLN A 46 -14.792 4.666 -6.379 1.00 0.00 O ATOM 723 NE2 GLN A 46 -13.193 5.947 -7.119 1.00 0.00 N ATOM 0 H GLN A 46 -12.967 3.576 -1.751 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.189 5.756 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -13.968 6.066 -3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.473 6.791 -4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.831 4.729 -5.232 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.207 3.875 -4.561 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.267 6.356 -6.994 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -13.738 6.164 -7.953 1.00 0.00 H new ATOM 732 N PHE A 47 -12.438 7.270 -0.927 1.00 0.00 N ATOM 733 CA PHE A 47 -13.046 8.106 0.103 1.00 0.00 C ATOM 734 C PHE A 47 -13.295 9.503 -0.421 1.00 0.00 C ATOM 735 O PHE A 47 -12.357 10.293 -0.626 1.00 0.00 O ATOM 736 CB PHE A 47 -12.107 8.201 1.346 1.00 0.00 C ATOM 737 CG PHE A 47 -12.422 7.285 2.541 1.00 0.00 C ATOM 738 CD1 PHE A 47 -13.227 6.156 2.360 1.00 0.00 C ATOM 739 CD2 PHE A 47 -11.876 7.547 3.800 1.00 0.00 C ATOM 740 CE1 PHE A 47 -13.452 5.278 3.415 1.00 0.00 C ATOM 741 CE2 PHE A 47 -12.107 6.670 4.858 1.00 0.00 C ATOM 742 CZ PHE A 47 -12.886 5.531 4.662 1.00 0.00 C ATOM 0 H PHE A 47 -11.632 7.700 -1.380 1.00 0.00 H new ATOM 0 HA PHE A 47 -13.994 7.649 0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -11.090 7.988 1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -12.119 9.232 1.699 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.676 5.965 1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.274 8.430 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -14.065 4.401 3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -11.682 6.873 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 47 -13.051 4.844 5.478 1.00 0.00 H new ATOM 752 N ARG A 48 -14.548 9.843 -0.652 1.00 0.00 N ATOM 753 CA ARG A 48 -14.910 11.135 -1.235 1.00 0.00 C ATOM 754 C ARG A 48 -15.987 11.817 -0.422 1.00 0.00 C ATOM 755 O ARG A 48 -17.173 11.466 -0.495 1.00 0.00 O ATOM 756 CB ARG A 48 -15.363 10.923 -2.706 1.00 0.00 C ATOM 757 CG ARG A 48 -16.349 9.745 -2.923 1.00 0.00 C ATOM 758 CD ARG A 48 -17.170 9.893 -4.211 1.00 0.00 C ATOM 759 NE ARG A 48 -18.289 10.832 -3.946 1.00 0.00 N ATOM 760 CZ ARG A 48 -19.503 10.488 -3.536 1.00 0.00 C ATOM 761 NH1 ARG A 48 -19.873 9.268 -3.281 1.00 0.00 N ATOM 762 NH2 ARG A 48 -20.366 11.429 -3.383 1.00 0.00 N ATOM 0 H ARG A 48 -15.345 9.241 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.039 11.790 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.832 11.840 -3.062 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -14.480 10.756 -3.322 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.790 8.810 -2.958 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -17.025 9.680 -2.071 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -16.543 10.268 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.555 8.924 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.109 11.825 -4.091 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.211 8.500 -3.393 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.825 9.079 -2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.105 12.396 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.311 11.208 -3.069 1.00 0.00 H new ATOM 776 N LYS A 49 -15.578 12.782 0.380 1.00 0.00 N ATOM 777 CA LYS A 49 -16.464 13.474 1.310 1.00 0.00 C ATOM 778 C LYS A 49 -17.002 12.510 2.345 1.00 0.00 C ATOM 779 O LYS A 49 -17.109 11.291 2.155 1.00 0.00 O ATOM 780 CB LYS A 49 -17.611 14.184 0.537 1.00 0.00 C ATOM 781 CG LYS A 49 -17.162 15.507 -0.137 1.00 0.00 C ATOM 782 CD LYS A 49 -16.416 15.336 -1.463 1.00 0.00 C ATOM 783 CE LYS A 49 -17.412 15.457 -2.624 1.00 0.00 C ATOM 784 NZ LYS A 49 -17.285 16.789 -3.242 1.00 0.00 N ATOM 0 H LYS A 49 -14.614 13.114 0.408 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.895 14.240 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.000 13.509 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.430 14.393 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -18.042 16.126 -0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.520 16.051 0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -15.638 16.093 -1.556 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -15.921 14.365 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -17.220 14.681 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.429 15.308 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.960 16.872 -4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -17.489 17.522 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -16.317 16.914 -3.601 1.00 0.00 H new ATOM 798 N GLU A 50 -17.333 13.062 3.506 1.00 0.00 N ATOM 799 CA GLU A 50 -17.913 12.284 4.597 1.00 0.00 C ATOM 800 C GLU A 50 -19.417 12.175 4.489 1.00 0.00 C ATOM 801 O GLU A 50 -20.138 12.236 5.508 1.00 0.00 O ATOM 802 CB GLU A 50 -17.498 12.950 5.941 1.00 0.00 C ATOM 803 CG GLU A 50 -16.057 12.654 6.471 1.00 0.00 C ATOM 804 CD GLU A 50 -15.780 11.284 7.095 1.00 0.00 C ATOM 805 OE1 GLU A 50 -16.617 10.663 7.737 1.00 0.00 O ATOM 806 OE2 GLU A 50 -14.518 10.824 6.871 1.00 0.00 O ATOM 0 H GLU A 50 -17.209 14.052 3.718 1.00 0.00 H new ATOM 0 HA GLU A 50 -17.533 11.264 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -17.602 14.029 5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -18.210 12.639 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.364 12.787 5.641 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.814 13.413 7.214 1.00 0.00 H new ATOM 813 N LYS A 51 -19.943 11.993 3.295 1.00 0.00 N ATOM 814 CA LYS A 51 -21.373 11.714 3.075 1.00 0.00 C ATOM 815 C LYS A 51 -21.652 10.344 2.456 1.00 0.00 C ATOM 816 O LYS A 51 -22.794 9.889 2.339 1.00 0.00 O ATOM 817 CB LYS A 51 -21.939 12.813 2.136 1.00 0.00 C ATOM 818 CG LYS A 51 -23.339 13.334 2.538 1.00 0.00 C ATOM 819 CD LYS A 51 -24.244 13.729 1.366 1.00 0.00 C ATOM 820 CE LYS A 51 -23.537 14.792 0.516 1.00 0.00 C ATOM 821 NZ LYS A 51 -23.377 16.026 1.306 1.00 0.00 N ATOM 0 H LYS A 51 -19.397 12.032 2.434 1.00 0.00 H new ATOM 0 HA LYS A 51 -21.854 11.713 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.243 13.652 2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -21.989 12.417 1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -23.842 12.564 3.123 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -23.215 14.199 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -24.474 12.854 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -25.192 14.116 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.563 14.426 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -24.116 14.997 -0.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.138 16.815 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.266 16.238 1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.614 15.897 2.001 1.00 0.00 H new ATOM 835 N GLU A 52 -20.569 9.689 2.083 1.00 0.00 N ATOM 836 CA GLU A 52 -20.625 8.397 1.409 1.00 0.00 C ATOM 837 C GLU A 52 -19.240 7.920 1.037 1.00 0.00 C ATOM 838 O GLU A 52 -18.504 8.578 0.287 1.00 0.00 O ATOM 839 CB GLU A 52 -21.531 8.537 0.153 1.00 0.00 C ATOM 840 CG GLU A 52 -21.868 7.231 -0.640 1.00 0.00 C ATOM 841 CD GLU A 52 -23.280 7.071 -1.208 1.00 0.00 C ATOM 842 OE1 GLU A 52 -23.947 8.016 -1.610 1.00 0.00 O ATOM 843 OE2 GLU A 52 -23.723 5.783 -1.222 1.00 0.00 O ATOM 0 H GLU A 52 -19.622 10.035 2.237 1.00 0.00 H new ATOM 0 HA GLU A 52 -21.047 7.648 2.080 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -22.470 8.994 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -21.050 9.233 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -21.165 7.155 -1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -21.676 6.384 0.018 1.00 0.00 H new ATOM 850 N THR A 53 -18.851 6.776 1.569 1.00 0.00 N ATOM 851 CA THR A 53 -17.580 6.145 1.220 1.00 0.00 C ATOM 852 C THR A 53 -17.802 4.906 0.385 1.00 0.00 C ATOM 853 O THR A 53 -18.941 4.470 0.154 1.00 0.00 O ATOM 854 CB THR A 53 -16.762 5.802 2.511 1.00 0.00 C ATOM 855 OG1 THR A 53 -17.620 5.301 3.528 1.00 0.00 O ATOM 856 CG2 THR A 53 -16.015 6.976 3.180 1.00 0.00 C ATOM 0 H THR A 53 -19.400 6.256 2.253 1.00 0.00 H new ATOM 0 HA THR A 53 -17.003 6.853 0.625 1.00 0.00 H new ATOM 0 HB THR A 53 -16.029 5.086 2.140 1.00 0.00 H new ATOM 0 HG1 THR A 53 -17.092 5.090 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 53 -15.486 6.615 4.062 1.00 0.00 H new ATOM 0 HG22 THR A 53 -15.299 7.400 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 53 -16.732 7.743 3.475 1.00 0.00 H new ATOM 864 N PHE A 54 -16.721 4.313 -0.088 1.00 0.00 N ATOM 865 CA PHE A 54 -16.799 3.128 -0.939 1.00 0.00 C ATOM 866 C PHE A 54 -15.785 2.085 -0.526 1.00 0.00 C ATOM 867 O PHE A 54 -14.598 2.147 -0.880 1.00 0.00 O ATOM 868 CB PHE A 54 -16.533 3.513 -2.427 1.00 0.00 C ATOM 869 CG PHE A 54 -16.379 2.345 -3.414 1.00 0.00 C ATOM 870 CD1 PHE A 54 -17.054 1.140 -3.207 1.00 0.00 C ATOM 871 CD2 PHE A 54 -15.580 2.501 -4.552 1.00 0.00 C ATOM 872 CE1 PHE A 54 -16.924 0.100 -4.124 1.00 0.00 C ATOM 873 CE2 PHE A 54 -15.447 1.461 -5.465 1.00 0.00 C ATOM 874 CZ PHE A 54 -16.117 0.258 -5.250 1.00 0.00 C ATOM 0 H PHE A 54 -15.771 4.631 0.101 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.802 2.715 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.353 4.145 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.627 4.117 -2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -17.678 1.015 -2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.064 3.434 -4.722 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.449 -0.830 -3.963 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.825 1.585 -6.339 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.011 -0.552 -5.956 1.00 0.00 H new ATOM 884 N LYS A 55 -16.248 1.095 0.213 1.00 0.00 N ATOM 885 CA LYS A 55 -15.443 -0.067 0.579 1.00 0.00 C ATOM 886 C LYS A 55 -16.332 -1.255 0.875 1.00 0.00 C ATOM 887 O LYS A 55 -16.440 -1.728 2.015 1.00 0.00 O ATOM 888 CB LYS A 55 -14.547 0.274 1.801 1.00 0.00 C ATOM 889 CG LYS A 55 -15.287 1.039 2.926 1.00 0.00 C ATOM 890 CD LYS A 55 -14.579 1.030 4.284 1.00 0.00 C ATOM 891 CE LYS A 55 -15.592 1.366 5.387 1.00 0.00 C ATOM 892 NZ LYS A 55 -15.505 2.801 5.710 1.00 0.00 N ATOM 0 H LYS A 55 -17.199 1.069 0.581 1.00 0.00 H new ATOM 0 HA LYS A 55 -14.799 -0.331 -0.260 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.140 -0.651 2.210 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.701 0.873 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.426 2.073 2.612 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -16.280 0.607 3.047 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.134 0.052 4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.766 1.756 4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.601 1.116 5.058 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.390 0.769 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.191 3.031 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.545 3.025 6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.718 3.362 4.860 1.00 0.00 H new ATOM 906 N GLU A 56 -16.968 -1.770 -0.160 1.00 0.00 N ATOM 907 CA GLU A 56 -17.977 -2.815 -0.025 1.00 0.00 C ATOM 908 C GLU A 56 -17.373 -4.167 0.285 1.00 0.00 C ATOM 909 O GLU A 56 -18.126 -5.151 0.488 1.00 0.00 O ATOM 910 CB GLU A 56 -18.802 -2.865 -1.344 1.00 0.00 C ATOM 911 CG GLU A 56 -20.268 -2.322 -1.292 1.00 0.00 C ATOM 912 CD GLU A 56 -20.577 -1.149 -0.359 1.00 0.00 C ATOM 913 OE1 GLU A 56 -20.906 -1.528 0.907 1.00 0.00 O ATOM 914 OE2 GLU A 56 -20.531 0.019 -0.720 1.00 0.00 O ATOM 0 H GLU A 56 -16.802 -1.478 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.622 -2.574 0.820 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.260 -2.301 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.837 -3.901 -1.681 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.548 -2.025 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -20.919 -3.150 -1.011 1.00 0.00 H new ATOM 921 N LYS A 57 -16.062 -4.299 0.330 1.00 0.00 N ATOM 922 CA LYS A 57 -15.428 -5.573 0.683 1.00 0.00 C ATOM 923 C LYS A 57 -14.029 -5.363 1.210 1.00 0.00 C ATOM 924 O LYS A 57 -13.296 -4.455 0.790 1.00 0.00 O ATOM 925 CB LYS A 57 -15.421 -6.515 -0.553 1.00 0.00 C ATOM 926 CG LYS A 57 -15.197 -5.790 -1.905 1.00 0.00 C ATOM 927 CD LYS A 57 -16.162 -6.203 -3.020 1.00 0.00 C ATOM 928 CE LYS A 57 -15.549 -5.846 -4.381 1.00 0.00 C ATOM 929 NZ LYS A 57 -15.390 -7.072 -5.183 1.00 0.00 N ATOM 0 H LYS A 57 -15.407 -3.544 0.128 1.00 0.00 H new ATOM 0 HA LYS A 57 -16.007 -6.039 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.639 -7.263 -0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.370 -7.050 -0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -15.287 -4.716 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.176 -5.978 -2.238 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.360 -7.274 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.119 -5.696 -2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.188 -5.136 -4.905 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.583 -5.362 -4.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.975 -6.832 -6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.764 -7.735 -4.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.320 -7.516 -5.327 1.00 0.00 H new ATOM 943 N ASP A 58 -13.632 -6.204 2.148 1.00 0.00 N ATOM 944 CA ASP A 58 -12.267 -6.180 2.677 1.00 0.00 C ATOM 945 C ASP A 58 -11.237 -6.618 1.657 1.00 0.00 C ATOM 946 O ASP A 58 -10.050 -6.272 1.746 1.00 0.00 O ATOM 947 CB ASP A 58 -12.175 -7.042 3.965 1.00 0.00 C ATOM 948 CG ASP A 58 -13.232 -6.793 5.048 1.00 0.00 C ATOM 949 OD1 ASP A 58 -13.835 -5.735 5.162 1.00 0.00 O ATOM 950 OD2 ASP A 58 -13.426 -7.875 5.862 1.00 0.00 O ATOM 0 H ASP A 58 -14.232 -6.916 2.564 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.035 -5.144 2.924 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.229 -8.091 3.675 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.192 -6.884 4.409 1.00 0.00 H new ATOM 955 N THR A 59 -11.679 -7.405 0.694 1.00 0.00 N ATOM 956 CA THR A 59 -10.800 -7.859 -0.382 1.00 0.00 C ATOM 957 C THR A 59 -10.056 -6.696 -0.991 1.00 0.00 C ATOM 958 O THR A 59 -9.008 -6.858 -1.637 1.00 0.00 O ATOM 959 CB THR A 59 -11.599 -8.626 -1.493 1.00 0.00 C ATOM 960 OG1 THR A 59 -10.712 -9.100 -2.499 1.00 0.00 O ATOM 961 CG2 THR A 59 -12.664 -7.816 -2.263 1.00 0.00 C ATOM 0 H THR A 59 -12.638 -7.746 0.629 1.00 0.00 H new ATOM 0 HA THR A 59 -10.080 -8.550 0.056 1.00 0.00 H new ATOM 0 HB THR A 59 -12.106 -9.405 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 59 -11.222 -9.578 -3.186 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.145 -8.457 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.413 -7.442 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 59 -12.187 -6.976 -2.768 1.00 0.00 H new ATOM 969 N TYR A 60 -10.600 -5.503 -0.840 1.00 0.00 N ATOM 970 CA TYR A 60 -9.893 -4.290 -1.248 1.00 0.00 C ATOM 971 C TYR A 60 -10.255 -3.128 -0.353 1.00 0.00 C ATOM 972 O TYR A 60 -11.061 -2.253 -0.715 1.00 0.00 O ATOM 973 CB TYR A 60 -10.251 -3.906 -2.713 1.00 0.00 C ATOM 974 CG TYR A 60 -9.447 -4.597 -3.821 1.00 0.00 C ATOM 975 CD1 TYR A 60 -8.128 -5.001 -3.598 1.00 0.00 C ATOM 976 CD2 TYR A 60 -10.040 -4.835 -5.065 1.00 0.00 C ATOM 977 CE1 TYR A 60 -7.413 -5.641 -4.607 1.00 0.00 C ATOM 978 CE2 TYR A 60 -9.323 -5.473 -6.073 1.00 0.00 C ATOM 979 CZ TYR A 60 -8.009 -5.875 -5.843 1.00 0.00 C ATOM 980 OH TYR A 60 -7.300 -6.495 -6.832 1.00 0.00 O ATOM 0 H TYR A 60 -11.524 -5.342 -0.440 1.00 0.00 H new ATOM 0 HA TYR A 60 -8.826 -4.499 -1.170 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.307 -4.122 -2.873 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -10.126 -2.829 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.662 -4.816 -2.641 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -11.058 -4.523 -5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.395 -5.956 -4.430 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.785 -5.656 -7.032 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.913 -6.793 -7.536 1.00 0.00 H new ATOM 990 N LYS A 61 -9.675 -3.084 0.833 1.00 0.00 N ATOM 991 CA LYS A 61 -10.050 -2.090 1.841 1.00 0.00 C ATOM 992 C LYS A 61 -9.015 -0.994 1.964 1.00 0.00 C ATOM 993 O LYS A 61 -7.819 -1.193 1.714 1.00 0.00 O ATOM 994 CB LYS A 61 -10.256 -2.803 3.207 1.00 0.00 C ATOM 995 CG LYS A 61 -11.507 -2.334 3.990 1.00 0.00 C ATOM 996 CD LYS A 61 -11.247 -1.907 5.439 1.00 0.00 C ATOM 997 CE LYS A 61 -10.806 -3.123 6.264 1.00 0.00 C ATOM 998 NZ LYS A 61 -9.517 -2.832 6.919 1.00 0.00 N ATOM 0 H LYS A 61 -8.939 -3.725 1.129 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.980 -1.615 1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.331 -3.877 3.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.373 -2.640 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.957 -1.497 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.239 -3.142 3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.477 -1.136 5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.150 -1.472 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.561 -3.361 7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.710 -3.997 5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.218 -3.656 7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.799 -2.625 6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.624 -2.009 7.546 1.00 0.00 H new ATOM 1012 N LEU A 62 -9.462 0.180 2.377 1.00 0.00 N ATOM 1013 CA LEU A 62 -8.594 1.332 2.597 1.00 0.00 C ATOM 1014 C LEU A 62 -8.138 1.403 4.035 1.00 0.00 C ATOM 1015 O LEU A 62 -8.466 0.542 4.869 1.00 0.00 O ATOM 1016 CB LEU A 62 -9.324 2.646 2.189 1.00 0.00 C ATOM 1017 CG LEU A 62 -10.074 2.672 0.830 1.00 0.00 C ATOM 1018 CD1 LEU A 62 -11.261 3.650 0.824 1.00 0.00 C ATOM 1019 CD2 LEU A 62 -9.103 3.031 -0.303 1.00 0.00 C ATOM 0 H LEU A 62 -10.446 0.365 2.572 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.710 1.215 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.044 2.885 2.972 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.586 3.448 2.178 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.477 1.672 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -11.747 3.626 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.976 3.359 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.902 4.659 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.640 3.046 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.671 4.014 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.307 2.288 -0.349 1.00 0.00 H new ATOM 1031 N PHE A 63 -7.393 2.441 4.368 1.00 0.00 N ATOM 1032 CA PHE A 63 -7.006 2.715 5.750 1.00 0.00 C ATOM 1033 C PHE A 63 -6.972 4.203 6.013 1.00 0.00 C ATOM 1034 O PHE A 63 -7.042 5.034 5.093 1.00 0.00 O ATOM 1035 CB PHE A 63 -5.598 2.115 6.052 1.00 0.00 C ATOM 1036 CG PHE A 63 -5.474 0.587 5.951 1.00 0.00 C ATOM 1037 CD1 PHE A 63 -5.739 -0.074 4.750 1.00 0.00 C ATOM 1038 CD2 PHE A 63 -5.053 -0.150 7.064 1.00 0.00 C ATOM 1039 CE1 PHE A 63 -5.584 -1.455 4.663 1.00 0.00 C ATOM 1040 CE2 PHE A 63 -4.902 -1.529 6.977 1.00 0.00 C ATOM 1041 CZ PHE A 63 -5.166 -2.182 5.776 1.00 0.00 C ATOM 0 H PHE A 63 -7.037 3.119 3.694 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.748 2.251 6.400 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.881 2.563 5.364 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.306 2.416 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.065 0.487 3.887 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.844 0.355 7.995 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.788 -1.963 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.580 -2.093 7.840 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.047 -3.253 5.707 1.00 0.00 H new ATOM 1051 N LYS A 64 -6.891 4.576 7.278 1.00 0.00 N ATOM 1052 CA LYS A 64 -6.912 5.982 7.673 1.00 0.00 C ATOM 1053 C LYS A 64 -5.657 6.695 7.228 1.00 0.00 C ATOM 1054 O LYS A 64 -5.661 7.904 6.940 1.00 0.00 O ATOM 1055 CB LYS A 64 -7.092 6.085 9.213 1.00 0.00 C ATOM 1056 CG LYS A 64 -8.485 5.620 9.705 1.00 0.00 C ATOM 1057 CD LYS A 64 -8.842 6.047 11.132 1.00 0.00 C ATOM 1058 CE LYS A 64 -10.310 5.699 11.414 1.00 0.00 C ATOM 1059 NZ LYS A 64 -11.119 6.930 11.389 1.00 0.00 N ATOM 0 H LYS A 64 -6.809 3.923 8.057 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.753 6.471 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.324 5.485 9.701 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.933 7.118 9.521 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.243 6.009 9.025 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.531 4.533 9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.193 5.543 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.680 7.118 11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.678 4.994 10.668 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.400 5.212 12.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.114 6.695 11.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.773 7.588 12.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.042 7.377 10.453 1.00 0.00 H new ATOM 1073 N ASN A 65 -4.552 5.975 7.181 1.00 0.00 N ATOM 1074 CA ASN A 65 -3.261 6.550 6.814 1.00 0.00 C ATOM 1075 C ASN A 65 -3.010 6.489 5.325 1.00 0.00 C ATOM 1076 O ASN A 65 -1.866 6.723 4.869 1.00 0.00 O ATOM 1077 CB ASN A 65 -2.134 5.789 7.580 1.00 0.00 C ATOM 1078 CG ASN A 65 -2.184 4.258 7.512 1.00 0.00 C ATOM 1079 OD1 ASN A 65 -2.894 3.666 6.712 1.00 0.00 O ATOM 1080 ND2 ASN A 65 -1.441 3.542 8.381 1.00 0.00 N ATOM 0 H ASN A 65 -4.518 4.978 7.394 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.266 7.604 7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.171 6.118 7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.171 6.087 8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.843 4.020 9.055 1.00 0.00 H new ATOM 1086 N GLY A 66 -4.004 6.165 4.521 1.00 0.00 N ATOM 1087 CA GLY A 66 -3.852 6.149 3.069 1.00 0.00 C ATOM 1088 C GLY A 66 -3.473 4.792 2.526 1.00 0.00 C ATOM 1089 O GLY A 66 -3.189 4.661 1.314 1.00 0.00 O ATOM 0 H GLY A 66 -4.935 5.906 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.787 6.469 2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.090 6.874 2.782 1.00 0.00 H new ATOM 1093 N THR A 67 -3.425 3.757 3.343 1.00 0.00 N ATOM 1094 CA THR A 67 -2.997 2.429 2.898 1.00 0.00 C ATOM 1095 C THR A 67 -4.168 1.615 2.405 1.00 0.00 C ATOM 1096 O THR A 67 -5.335 1.880 2.743 1.00 0.00 O ATOM 1097 CB THR A 67 -2.263 1.687 4.067 1.00 0.00 C ATOM 1098 OG1 THR A 67 -0.853 1.809 3.934 1.00 0.00 O ATOM 1099 CG2 THR A 67 -2.510 0.166 4.175 1.00 0.00 C ATOM 0 H THR A 67 -3.678 3.804 4.330 1.00 0.00 H new ATOM 0 HA THR A 67 -2.305 2.551 2.064 1.00 0.00 H new ATOM 0 HB THR A 67 -2.680 2.174 4.949 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.630 2.716 3.636 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.950 -0.234 5.020 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.574 -0.020 4.324 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.181 -0.322 3.258 1.00 0.00 H new ATOM 1107 N LEU A 68 -3.896 0.621 1.580 1.00 0.00 N ATOM 1108 CA LEU A 68 -4.920 -0.334 1.158 1.00 0.00 C ATOM 1109 C LEU A 68 -4.463 -1.750 1.426 1.00 0.00 C ATOM 1110 O LEU A 68 -3.256 -2.046 1.464 1.00 0.00 O ATOM 1111 CB LEU A 68 -5.294 -0.154 -0.343 1.00 0.00 C ATOM 1112 CG LEU A 68 -6.382 -1.093 -0.931 1.00 0.00 C ATOM 1113 CD1 LEU A 68 -7.763 -0.418 -1.017 1.00 0.00 C ATOM 1114 CD2 LEU A 68 -5.944 -1.601 -2.314 1.00 0.00 C ATOM 0 H LEU A 68 -2.972 0.448 1.184 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.817 -0.136 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.625 0.875 -0.486 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.386 -0.281 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.487 -1.936 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.485 -1.119 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.084 -0.118 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.699 0.462 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.712 -2.259 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.801 -0.754 -2.984 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.008 -2.151 -2.220 1.00 0.00 H new ATOM 1126 N LYS A 69 -5.401 -2.654 1.639 1.00 0.00 N ATOM 1127 CA LYS A 69 -5.078 -4.065 1.837 1.00 0.00 C ATOM 1128 C LYS A 69 -5.954 -4.947 0.979 1.00 0.00 C ATOM 1129 O LYS A 69 -7.042 -4.555 0.532 1.00 0.00 O ATOM 1130 CB LYS A 69 -5.231 -4.423 3.341 1.00 0.00 C ATOM 1131 CG LYS A 69 -6.467 -5.307 3.644 1.00 0.00 C ATOM 1132 CD LYS A 69 -6.714 -5.578 5.131 1.00 0.00 C ATOM 1133 CE LYS A 69 -5.623 -6.518 5.661 1.00 0.00 C ATOM 1134 NZ LYS A 69 -5.446 -6.299 7.108 1.00 0.00 N ATOM 0 H LYS A 69 -6.398 -2.441 1.680 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.046 -4.239 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.333 -4.942 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.302 -3.502 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.351 -4.827 3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.349 -6.261 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.707 -4.642 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.697 -6.026 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.898 -7.555 5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.685 -6.335 5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.707 -6.936 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.166 -5.312 7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.341 -6.494 7.601 1.00 0.00 H new ATOM 1148 N ILE A 70 -5.484 -6.152 0.714 1.00 0.00 N ATOM 1149 CA ILE A 70 -6.198 -7.080 -0.160 1.00 0.00 C ATOM 1150 C ILE A 70 -6.236 -8.464 0.441 1.00 0.00 C ATOM 1151 O ILE A 70 -5.197 -9.128 0.608 1.00 0.00 O ATOM 1152 CB ILE A 70 -5.583 -7.082 -1.619 1.00 0.00 C ATOM 1153 CG1 ILE A 70 -5.094 -5.684 -2.120 1.00 0.00 C ATOM 1154 CG2 ILE A 70 -6.556 -7.666 -2.690 1.00 0.00 C ATOM 1155 CD1 ILE A 70 -3.712 -5.657 -2.806 1.00 0.00 C ATOM 0 H ILE A 70 -4.609 -6.517 1.090 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.229 -6.737 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.713 -7.730 -1.513 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.832 -5.292 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.068 -5.004 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.077 -7.640 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.803 -8.696 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.468 -7.070 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.477 -4.637 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.953 -6.011 -2.109 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.729 -6.304 -3.683 1.00 0.00 H new ATOM 1167 N LYS A 71 -7.419 -8.927 0.802 1.00 0.00 N ATOM 1168 CA LYS A 71 -7.554 -10.196 1.521 1.00 0.00 C ATOM 1169 C LYS A 71 -7.598 -11.377 0.577 1.00 0.00 C ATOM 1170 O LYS A 71 -8.279 -11.356 -0.459 1.00 0.00 O ATOM 1171 CB LYS A 71 -8.833 -10.149 2.401 1.00 0.00 C ATOM 1172 CG LYS A 71 -8.825 -11.165 3.571 1.00 0.00 C ATOM 1173 CD LYS A 71 -10.204 -11.473 4.163 1.00 0.00 C ATOM 1174 CE LYS A 71 -10.042 -12.398 5.376 1.00 0.00 C ATOM 1175 NZ LYS A 71 -10.065 -13.802 4.929 1.00 0.00 N ATOM 0 H LYS A 71 -8.301 -8.451 0.613 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.677 -10.330 2.154 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.947 -9.144 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.703 -10.340 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.379 -12.096 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.183 -10.781 4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.699 -10.549 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.837 -11.947 3.412 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.104 -12.183 5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.844 -12.220 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.955 -14.430 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.971 -14.002 4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.285 -13.966 4.261 1.00 0.00 H new ATOM 1189 N HIS A 72 -6.893 -12.435 0.942 1.00 0.00 N ATOM 1190 CA HIS A 72 -6.850 -13.653 0.133 1.00 0.00 C ATOM 1191 C HIS A 72 -6.296 -13.351 -1.242 1.00 0.00 C ATOM 1192 O HIS A 72 -6.986 -12.924 -2.178 1.00 0.00 O ATOM 1193 CB HIS A 72 -8.297 -14.169 0.061 1.00 0.00 C ATOM 1194 CG HIS A 72 -8.378 -15.652 -0.162 1.00 0.00 C ATOM 1195 ND1 HIS A 72 -7.821 -16.633 0.655 1.00 0.00 N ATOM 1196 CD2 HIS A 72 -9.046 -16.211 -1.244 1.00 0.00 C ATOM 1197 CE1 HIS A 72 -8.205 -17.736 -0.015 1.00 0.00 C ATOM 1198 NE2 HIS A 72 -8.936 -17.574 -1.151 1.00 0.00 N ATOM 0 H HIS A 72 -6.338 -12.480 1.797 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.196 -14.408 0.569 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.814 -13.917 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.821 -13.656 -0.746 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.561 -15.667 -2.022 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.940 -18.721 0.339 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.309 -18.288 -1.777 1.00 0.00 H new ATOM 1207 N LEU A 73 -5.006 -13.611 -1.397 1.00 0.00 N ATOM 1208 CA LEU A 73 -4.236 -13.165 -2.554 1.00 0.00 C ATOM 1209 C LEU A 73 -3.396 -14.226 -3.226 1.00 0.00 C ATOM 1210 O LEU A 73 -2.179 -14.334 -2.954 1.00 0.00 O ATOM 1211 CB LEU A 73 -3.315 -11.973 -2.122 1.00 0.00 C ATOM 1212 CG LEU A 73 -3.938 -10.551 -2.242 1.00 0.00 C ATOM 1213 CD1 LEU A 73 -3.879 -10.003 -3.676 1.00 0.00 C ATOM 1214 CD2 LEU A 73 -5.396 -10.579 -1.759 1.00 0.00 C ATOM 0 H LEU A 73 -4.458 -14.141 -0.719 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.973 -12.869 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.013 -12.130 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -2.408 -12.003 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.346 -9.885 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.326 -9.009 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.840 -9.943 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.429 -10.668 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.827 -9.582 -1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.969 -11.276 -2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.428 -10.900 -0.718 1.00 0.00 H new ATOM 1226 N LYS A 74 -3.964 -15.020 -4.113 1.00 0.00 N ATOM 1227 CA LYS A 74 -3.205 -15.889 -5.009 1.00 0.00 C ATOM 1228 C LYS A 74 -2.859 -15.157 -6.289 1.00 0.00 C ATOM 1229 O LYS A 74 -3.095 -13.950 -6.442 1.00 0.00 O ATOM 1230 CB LYS A 74 -3.994 -17.198 -5.305 1.00 0.00 C ATOM 1231 CG LYS A 74 -5.497 -17.168 -4.920 1.00 0.00 C ATOM 1232 CD LYS A 74 -6.282 -18.417 -5.334 1.00 0.00 C ATOM 1233 CE LYS A 74 -5.714 -19.640 -4.601 1.00 0.00 C ATOM 1234 NZ LYS A 74 -6.078 -20.866 -5.333 1.00 0.00 N ATOM 0 H LYS A 74 -4.974 -15.085 -4.238 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.273 -16.166 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.913 -17.419 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.516 -18.019 -4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.580 -17.043 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.960 -16.294 -5.379 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.338 -18.293 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.215 -18.562 -6.412 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.630 -19.559 -4.523 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.105 -19.681 -3.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.693 -21.694 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.114 -20.944 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.685 -20.826 -6.295 1.00 0.00 H new ATOM 1248 N THR A 75 -2.252 -15.879 -7.212 1.00 0.00 N ATOM 1249 CA THR A 75 -1.741 -15.275 -8.444 1.00 0.00 C ATOM 1250 C THR A 75 -2.842 -14.642 -9.270 1.00 0.00 C ATOM 1251 O THR A 75 -2.629 -13.700 -10.045 1.00 0.00 O ATOM 1252 CB THR A 75 -0.966 -16.340 -9.291 1.00 0.00 C ATOM 1253 OG1 THR A 75 0.129 -16.863 -8.551 1.00 0.00 O ATOM 1254 CG2 THR A 75 -0.339 -15.841 -10.610 1.00 0.00 C ATOM 0 H THR A 75 -2.097 -16.885 -7.139 1.00 0.00 H new ATOM 0 HA THR A 75 -1.055 -14.478 -8.155 1.00 0.00 H new ATOM 0 HB THR A 75 -1.744 -17.066 -9.527 1.00 0.00 H new ATOM 0 HG1 THR A 75 0.602 -17.528 -9.093 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.170 -16.667 -11.107 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.122 -15.453 -11.261 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.379 -15.050 -10.395 1.00 0.00 H new ATOM 1262 N ASP A 76 -4.048 -15.153 -9.087 1.00 0.00 N ATOM 1263 CA ASP A 76 -5.239 -14.577 -9.703 1.00 0.00 C ATOM 1264 C ASP A 76 -5.684 -13.339 -8.961 1.00 0.00 C ATOM 1265 O ASP A 76 -6.143 -12.349 -9.549 1.00 0.00 O ATOM 1266 CB ASP A 76 -6.367 -15.639 -9.788 1.00 0.00 C ATOM 1267 CG ASP A 76 -7.769 -15.190 -9.351 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -8.018 -14.784 -8.225 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -8.689 -15.271 -10.358 1.00 0.00 O ATOM 0 H ASP A 76 -4.232 -15.974 -8.511 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.996 -14.270 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.427 -15.990 -10.818 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -6.077 -16.494 -9.177 1.00 0.00 H new ATOM 1274 N ASP A 77 -5.545 -13.372 -7.647 1.00 0.00 N ATOM 1275 CA ASP A 77 -5.807 -12.204 -6.812 1.00 0.00 C ATOM 1276 C ASP A 77 -4.705 -11.173 -6.932 1.00 0.00 C ATOM 1277 O ASP A 77 -4.791 -10.084 -6.316 1.00 0.00 O ATOM 1278 CB ASP A 77 -6.054 -12.640 -5.343 1.00 0.00 C ATOM 1279 CG ASP A 77 -7.425 -13.263 -5.037 1.00 0.00 C ATOM 1280 OD1 ASP A 77 -8.358 -12.334 -4.670 1.00 0.00 O ATOM 1281 OD2 ASP A 77 -7.637 -14.466 -5.099 1.00 0.00 O ATOM 0 H ASP A 77 -5.250 -14.200 -7.129 1.00 0.00 H new ATOM 0 HA ASP A 77 -6.715 -11.719 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.283 -13.358 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.924 -11.769 -4.701 1.00 0.00 H new ATOM 1286 N GLN A 78 -3.670 -11.429 -7.708 1.00 0.00 N ATOM 1287 CA GLN A 78 -2.649 -10.418 -7.994 1.00 0.00 C ATOM 1288 C GLN A 78 -3.092 -9.498 -9.107 1.00 0.00 C ATOM 1289 O GLN A 78 -3.506 -9.937 -10.191 1.00 0.00 O ATOM 1290 CB GLN A 78 -1.328 -11.129 -8.363 1.00 0.00 C ATOM 1291 CG GLN A 78 -0.069 -10.718 -7.531 1.00 0.00 C ATOM 1292 CD GLN A 78 -0.191 -10.578 -6.008 1.00 0.00 C ATOM 1293 OE1 GLN A 78 0.333 -9.650 -5.412 1.00 0.00 O ATOM 1294 NE2 GLN A 78 -0.855 -11.473 -5.322 1.00 0.00 N ATOM 0 H GLN A 78 -3.506 -12.330 -8.157 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.495 -9.803 -7.107 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -1.475 -12.204 -8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -1.120 -10.941 -9.416 1.00 0.00 H new ATOM 0 HG2 GLN A 78 0.711 -11.453 -7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 78 0.285 -9.763 -7.921 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.300 -12.256 -5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.928 -11.388 -4.308 1.00 0.00 H new ATOM 1303 N ASP A 79 -2.994 -8.202 -8.872 1.00 0.00 N ATOM 1304 CA ASP A 79 -3.339 -7.207 -9.883 1.00 0.00 C ATOM 1305 C ASP A 79 -2.468 -5.977 -9.764 1.00 0.00 C ATOM 1306 O ASP A 79 -1.718 -5.788 -8.797 1.00 0.00 O ATOM 1307 CB ASP A 79 -4.846 -6.847 -9.796 1.00 0.00 C ATOM 1308 CG ASP A 79 -5.829 -7.992 -9.516 1.00 0.00 C ATOM 1309 OD1 ASP A 79 -5.723 -8.746 -8.559 1.00 0.00 O ATOM 1310 OD2 ASP A 79 -6.841 -8.058 -10.434 1.00 0.00 O ATOM 0 H ASP A 79 -2.677 -7.808 -7.986 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.151 -7.639 -10.866 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.969 -6.098 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.135 -6.377 -10.736 1.00 0.00 H new ATOM 1315 N ILE A 80 -2.578 -5.104 -10.752 1.00 0.00 N ATOM 1316 CA ILE A 80 -1.915 -3.804 -10.726 1.00 0.00 C ATOM 1317 C ILE A 80 -2.811 -2.762 -10.093 1.00 0.00 C ATOM 1318 O ILE A 80 -4.032 -2.736 -10.311 1.00 0.00 O ATOM 1319 CB ILE A 80 -1.427 -3.385 -12.174 1.00 0.00 C ATOM 1320 CG1 ILE A 80 -0.795 -4.540 -13.018 1.00 0.00 C ATOM 1321 CG2 ILE A 80 -0.414 -2.199 -12.151 1.00 0.00 C ATOM 1322 CD1 ILE A 80 0.357 -4.133 -13.961 1.00 0.00 C ATOM 0 H ILE A 80 -3.128 -5.273 -11.595 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.022 -3.879 -10.105 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.355 -3.083 -12.658 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.426 -5.304 -12.334 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.582 -5.000 -13.615 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.115 -1.956 -13.171 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.884 -1.328 -11.693 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.465 -2.483 -11.573 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.718 -5.012 -14.495 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.003 -3.395 -14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.171 -3.704 -13.377 1.00 0.00 H new ATOM 1334 N TYR A 81 -2.233 -1.902 -9.276 1.00 0.00 N ATOM 1335 CA TYR A 81 -2.968 -0.881 -8.531 1.00 0.00 C ATOM 1336 C TYR A 81 -2.278 0.458 -8.628 1.00 0.00 C ATOM 1337 O TYR A 81 -1.098 0.573 -8.991 1.00 0.00 O ATOM 1338 CB TYR A 81 -3.078 -1.277 -7.026 1.00 0.00 C ATOM 1339 CG TYR A 81 -3.564 -2.707 -6.758 1.00 0.00 C ATOM 1340 CD1 TYR A 81 -2.651 -3.764 -6.798 1.00 0.00 C ATOM 1341 CD2 TYR A 81 -4.907 -2.963 -6.475 1.00 0.00 C ATOM 1342 CE1 TYR A 81 -3.057 -5.049 -6.454 1.00 0.00 C ATOM 1343 CE2 TYR A 81 -5.311 -4.251 -6.131 1.00 0.00 C ATOM 1344 CZ TYR A 81 -4.386 -5.291 -6.117 1.00 0.00 C ATOM 1345 OH TYR A 81 -4.784 -6.553 -5.775 1.00 0.00 O ATOM 0 H TYR A 81 -1.228 -1.887 -9.105 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.964 -0.808 -8.969 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.100 -1.150 -6.562 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -3.757 -0.582 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.629 -3.583 -7.096 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.632 -2.164 -6.523 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.342 -5.858 -6.448 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.343 -4.443 -5.875 1.00 0.00 H new ATOM 0 HH TYR A 81 -5.753 -6.634 -5.896 1.00 0.00 H new ATOM 1355 N LYS A 82 -3.019 1.510 -8.331 1.00 0.00 N ATOM 1356 CA LYS A 82 -2.454 2.854 -8.263 1.00 0.00 C ATOM 1357 C LYS A 82 -3.152 3.672 -7.204 1.00 0.00 C ATOM 1358 O LYS A 82 -4.387 3.656 -7.073 1.00 0.00 O ATOM 1359 CB LYS A 82 -2.563 3.535 -9.654 1.00 0.00 C ATOM 1360 CG LYS A 82 -1.924 4.945 -9.702 1.00 0.00 C ATOM 1361 CD LYS A 82 -2.859 6.063 -10.172 1.00 0.00 C ATOM 1362 CE LYS A 82 -2.368 6.598 -11.524 1.00 0.00 C ATOM 1363 NZ LYS A 82 -1.244 7.526 -11.305 1.00 0.00 N ATOM 0 H LYS A 82 -4.018 1.463 -8.132 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.402 2.786 -7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.082 2.901 -10.399 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.614 3.611 -9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.555 5.194 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.059 4.913 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.878 5.686 -10.265 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.882 6.867 -9.436 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.053 5.772 -12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.180 7.109 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.910 7.889 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.560 8.320 -10.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.468 7.025 -10.828 1.00 0.00 H new ATOM 1377 N VAL A 83 -2.379 4.398 -6.420 1.00 0.00 N ATOM 1378 CA VAL A 83 -2.914 5.119 -5.267 1.00 0.00 C ATOM 1379 C VAL A 83 -2.838 6.612 -5.477 1.00 0.00 C ATOM 1380 O VAL A 83 -1.764 7.216 -5.601 1.00 0.00 O ATOM 1381 CB VAL A 83 -2.132 4.682 -3.964 1.00 0.00 C ATOM 1382 CG1 VAL A 83 -0.590 4.871 -4.001 1.00 0.00 C ATOM 1383 CG2 VAL A 83 -2.603 5.389 -2.671 1.00 0.00 C ATOM 0 H VAL A 83 -1.374 4.508 -6.556 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.967 4.866 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.372 3.619 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.160 4.539 -3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.171 4.283 -4.817 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.356 5.924 -4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.015 5.031 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.470 6.466 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.657 5.169 -2.499 1.00 0.00 H new ATOM 1393 N SER A 84 -3.999 7.243 -5.505 1.00 0.00 N ATOM 1394 CA SER A 84 -4.125 8.695 -5.577 1.00 0.00 C ATOM 1395 C SER A 84 -4.922 9.210 -4.401 1.00 0.00 C ATOM 1396 O SER A 84 -6.078 8.812 -4.177 1.00 0.00 O ATOM 1397 CB SER A 84 -4.740 9.128 -6.932 1.00 0.00 C ATOM 1398 OG SER A 84 -6.131 8.805 -7.044 1.00 0.00 O ATOM 0 H SER A 84 -4.896 6.757 -5.478 1.00 0.00 H new ATOM 0 HA SER A 84 -3.131 9.140 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.611 10.203 -7.056 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.194 8.646 -7.743 1.00 0.00 H new ATOM 0 HG SER A 84 -6.606 9.547 -7.473 1.00 0.00 H new ATOM 1404 N ILE A 85 -4.319 10.082 -3.615 1.00 0.00 N ATOM 1405 CA ILE A 85 -4.938 10.525 -2.361 1.00 0.00 C ATOM 1406 C ILE A 85 -4.903 12.033 -2.274 1.00 0.00 C ATOM 1407 O ILE A 85 -3.811 12.643 -2.202 1.00 0.00 O ATOM 1408 CB ILE A 85 -4.280 9.794 -1.120 1.00 0.00 C ATOM 1409 CG1 ILE A 85 -3.715 8.360 -1.431 1.00 0.00 C ATOM 1410 CG2 ILE A 85 -5.245 9.701 0.105 1.00 0.00 C ATOM 1411 CD1 ILE A 85 -2.315 8.330 -2.078 1.00 0.00 C ATOM 0 H ILE A 85 -3.409 10.500 -3.812 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.990 10.239 -2.344 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.434 10.434 -0.872 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.680 7.792 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.414 7.847 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.742 9.191 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.530 10.705 0.421 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.138 9.143 -0.177 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.017 7.296 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.341 8.865 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.596 8.808 -1.412 1.00 0.00 H new ATOM 1423 N TYR A 86 -6.042 12.694 -2.294 1.00 0.00 N ATOM 1424 CA TYR A 86 -6.138 14.143 -2.487 1.00 0.00 C ATOM 1425 C TYR A 86 -6.589 14.861 -1.239 1.00 0.00 C ATOM 1426 O TYR A 86 -7.216 14.280 -0.339 1.00 0.00 O ATOM 1427 CB TYR A 86 -7.157 14.442 -3.634 1.00 0.00 C ATOM 1428 CG TYR A 86 -6.955 13.651 -4.935 1.00 0.00 C ATOM 1429 CD1 TYR A 86 -5.715 13.069 -5.213 1.00 0.00 C ATOM 1430 CD2 TYR A 86 -8.001 13.514 -5.851 1.00 0.00 C ATOM 1431 CE1 TYR A 86 -5.520 12.368 -6.401 1.00 0.00 C ATOM 1432 CE2 TYR A 86 -7.807 12.805 -7.033 1.00 0.00 C ATOM 1433 CZ TYR A 86 -6.569 12.233 -7.309 1.00 0.00 C ATOM 1434 OH TYR A 86 -6.379 11.542 -8.471 1.00 0.00 O ATOM 0 H TYR A 86 -6.948 12.240 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.142 14.505 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.162 14.242 -3.262 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.110 15.506 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.905 13.163 -4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.962 13.959 -5.641 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.557 11.930 -6.618 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.619 12.699 -7.737 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.210 11.541 -8.991 1.00 0.00 H new ATOM 1444 N ASP A 87 -6.263 16.141 -1.140 1.00 0.00 N ATOM 1445 CA ASP A 87 -6.720 16.994 -0.044 1.00 0.00 C ATOM 1446 C ASP A 87 -8.125 17.493 -0.290 1.00 0.00 C ATOM 1447 O ASP A 87 -8.803 17.103 -1.253 1.00 0.00 O ATOM 1448 CB ASP A 87 -5.716 18.157 0.186 1.00 0.00 C ATOM 1449 CG ASP A 87 -5.242 18.932 -1.054 1.00 0.00 C ATOM 1450 OD1 ASP A 87 -6.168 18.939 -2.058 1.00 0.00 O ATOM 1451 OD2 ASP A 87 -4.161 19.499 -1.112 1.00 0.00 O ATOM 0 H ASP A 87 -5.672 16.623 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.755 16.401 0.870 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.174 18.868 0.874 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.837 17.750 0.687 1.00 0.00 H new ATOM 1456 N THR A 88 -8.606 18.348 0.595 1.00 0.00 N ATOM 1457 CA THR A 88 -9.992 18.812 0.561 1.00 0.00 C ATOM 1458 C THR A 88 -10.347 19.455 -0.760 1.00 0.00 C ATOM 1459 O THR A 88 -11.508 19.389 -1.214 1.00 0.00 O ATOM 1460 CB THR A 88 -10.266 19.812 1.738 1.00 0.00 C ATOM 1461 OG1 THR A 88 -9.408 20.941 1.642 1.00 0.00 O ATOM 1462 CG2 THR A 88 -10.036 19.271 3.166 1.00 0.00 C ATOM 0 H THR A 88 -8.054 18.742 1.357 1.00 0.00 H new ATOM 0 HA THR A 88 -10.626 17.934 0.679 1.00 0.00 H new ATOM 0 HB THR A 88 -11.326 20.033 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.593 21.556 2.382 1.00 0.00 H new ATOM 0 HG21 THR A 88 -10.258 20.053 3.892 1.00 0.00 H new ATOM 0 HG22 THR A 88 -10.690 18.417 3.341 1.00 0.00 H new ATOM 0 HG23 THR A 88 -8.997 18.960 3.274 1.00 0.00 H new ATOM 1470 N LYS A 89 -9.397 20.105 -1.405 1.00 0.00 N ATOM 1471 CA LYS A 89 -9.681 20.891 -2.607 1.00 0.00 C ATOM 1472 C LYS A 89 -9.443 20.107 -3.877 1.00 0.00 C ATOM 1473 O LYS A 89 -9.094 20.676 -4.930 1.00 0.00 O ATOM 1474 CB LYS A 89 -8.809 22.179 -2.588 1.00 0.00 C ATOM 1475 CG LYS A 89 -8.903 22.974 -1.262 1.00 0.00 C ATOM 1476 CD LYS A 89 -10.249 23.663 -1.016 1.00 0.00 C ATOM 1477 CE LYS A 89 -10.025 24.923 -0.169 1.00 0.00 C ATOM 1478 NZ LYS A 89 -9.848 26.085 -1.057 1.00 0.00 N ATOM 0 H LYS A 89 -8.417 20.109 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 89 -10.739 21.155 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.769 21.906 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.113 22.825 -3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.702 22.295 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.118 23.730 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.715 23.927 -1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.931 22.983 -0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.875 25.084 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.146 24.798 0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.696 26.940 -0.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.024 25.929 -1.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -10.699 26.207 -1.642 1.00 0.00 H new ATOM 1492 N GLY A 90 -9.636 18.802 -3.836 1.00 0.00 N ATOM 1493 CA GLY A 90 -9.565 17.973 -5.035 1.00 0.00 C ATOM 1494 C GLY A 90 -8.199 18.008 -5.679 1.00 0.00 C ATOM 1495 O GLY A 90 -8.037 17.670 -6.867 1.00 0.00 O ATOM 0 H GLY A 90 -9.845 18.286 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.816 16.944 -4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -10.311 18.313 -5.753 1.00 0.00 H new ATOM 1499 N LYS A 91 -7.186 18.400 -4.931 1.00 0.00 N ATOM 1500 CA LYS A 91 -5.819 18.466 -5.444 1.00 0.00 C ATOM 1501 C LYS A 91 -5.085 17.166 -5.219 1.00 0.00 C ATOM 1502 O LYS A 91 -5.150 16.572 -4.126 1.00 0.00 O ATOM 1503 CB LYS A 91 -5.069 19.639 -4.751 1.00 0.00 C ATOM 1504 CG LYS A 91 -4.674 20.785 -5.714 1.00 0.00 C ATOM 1505 CD LYS A 91 -5.840 21.429 -6.471 1.00 0.00 C ATOM 1506 CE LYS A 91 -6.659 22.292 -5.502 1.00 0.00 C ATOM 1507 NZ LYS A 91 -6.032 23.619 -5.376 1.00 0.00 N ATOM 0 H LYS A 91 -7.279 18.682 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.857 18.639 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.700 20.044 -3.959 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.169 19.251 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.161 21.558 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.959 20.398 -6.440 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.463 22.040 -7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.472 20.658 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.682 22.394 -5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.714 21.810 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.292 24.040 -4.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.998 23.521 -5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -6.363 24.234 -6.147 1.00 0.00 H new ATOM 1521 N ASN A 92 -4.347 16.704 -6.211 1.00 0.00 N ATOM 1522 CA ASN A 92 -3.491 15.531 -6.042 1.00 0.00 C ATOM 1523 C ASN A 92 -2.264 15.875 -5.229 1.00 0.00 C ATOM 1524 O ASN A 92 -1.235 16.331 -5.748 1.00 0.00 O ATOM 1525 CB ASN A 92 -3.090 14.966 -7.435 1.00 0.00 C ATOM 1526 CG ASN A 92 -2.797 15.981 -8.545 1.00 0.00 C ATOM 1527 OD1 ASN A 92 -3.529 15.958 -9.626 1.00 0.00 O flip ATOM 1528 ND2 ASN A 92 -1.889 16.796 -8.463 1.00 0.00 N flip ATOM 0 H ASN A 92 -4.319 17.118 -7.143 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.046 14.766 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.205 14.343 -7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.892 14.313 -7.778 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -1.307 16.828 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.714 17.443 -9.232 1.00 0.00 H new ATOM 1535 N VAL A 93 -2.368 15.680 -3.927 1.00 0.00 N ATOM 1536 CA VAL A 93 -1.282 15.997 -3.000 1.00 0.00 C ATOM 1537 C VAL A 93 -0.180 14.960 -3.014 1.00 0.00 C ATOM 1538 O VAL A 93 0.947 15.206 -2.555 1.00 0.00 O ATOM 1539 CB VAL A 93 -1.870 16.157 -1.541 1.00 0.00 C ATOM 1540 CG1 VAL A 93 -3.237 16.888 -1.428 1.00 0.00 C ATOM 1541 CG2 VAL A 93 -2.059 14.818 -0.789 1.00 0.00 C ATOM 0 H VAL A 93 -3.201 15.299 -3.478 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.830 16.934 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.090 16.771 -1.090 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.538 16.937 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.143 17.898 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.990 16.342 -1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.466 15.012 0.203 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.748 14.182 -1.345 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.097 14.315 -0.695 1.00 0.00 H new ATOM 1551 N LEU A 94 -0.472 13.794 -3.557 1.00 0.00 N ATOM 1552 CA LEU A 94 0.520 12.731 -3.695 1.00 0.00 C ATOM 1553 C LEU A 94 -0.081 11.513 -4.356 1.00 0.00 C ATOM 1554 O LEU A 94 -1.277 11.214 -4.213 1.00 0.00 O ATOM 1555 CB LEU A 94 1.126 12.376 -2.308 1.00 0.00 C ATOM 1556 CG LEU A 94 1.814 10.994 -2.139 1.00 0.00 C ATOM 1557 CD1 LEU A 94 2.983 11.032 -1.140 1.00 0.00 C ATOM 1558 CD2 LEU A 94 0.784 9.945 -1.696 1.00 0.00 C ATOM 0 H LEU A 94 -1.396 13.552 -3.915 1.00 0.00 H new ATOM 0 HA LEU A 94 1.324 13.090 -4.337 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.857 13.145 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.328 12.443 -1.569 1.00 0.00 H new ATOM 0 HG LEU A 94 2.228 10.723 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.427 10.040 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.736 11.739 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.616 11.344 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.275 8.979 -1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.345 10.245 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.001 9.865 -2.448 1.00 0.00 H new ATOM 1570 N GLU A 95 0.738 10.783 -5.090 1.00 0.00 N ATOM 1571 CA GLU A 95 0.270 9.656 -5.892 1.00 0.00 C ATOM 1572 C GLU A 95 1.391 8.681 -6.161 1.00 0.00 C ATOM 1573 O GLU A 95 2.574 8.959 -5.908 1.00 0.00 O ATOM 1574 CB GLU A 95 -0.328 10.210 -7.216 1.00 0.00 C ATOM 1575 CG GLU A 95 0.238 11.568 -7.748 1.00 0.00 C ATOM 1576 CD GLU A 95 1.716 11.886 -7.507 1.00 0.00 C ATOM 1577 OE1 GLU A 95 2.626 11.193 -7.942 1.00 0.00 O ATOM 1578 OE2 GLU A 95 1.921 13.010 -6.767 1.00 0.00 O ATOM 0 H GLU A 95 1.743 10.949 -5.151 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.499 9.109 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.184 9.458 -7.992 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.403 10.324 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.062 11.602 -8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.351 12.370 -7.303 1.00 0.00 H new ATOM 1585 N LYS A 96 1.050 7.524 -6.701 1.00 0.00 N ATOM 1586 CA LYS A 96 2.040 6.501 -7.028 1.00 0.00 C ATOM 1587 C LYS A 96 1.399 5.332 -7.741 1.00 0.00 C ATOM 1588 O LYS A 96 0.169 5.199 -7.811 1.00 0.00 O ATOM 1589 CB LYS A 96 2.759 6.046 -5.727 1.00 0.00 C ATOM 1590 CG LYS A 96 4.299 5.955 -5.878 1.00 0.00 C ATOM 1591 CD LYS A 96 5.089 6.095 -4.573 1.00 0.00 C ATOM 1592 CE LYS A 96 5.195 7.579 -4.198 1.00 0.00 C ATOM 1593 NZ LYS A 96 6.206 8.231 -5.049 1.00 0.00 N ATOM 0 H LYS A 96 0.089 7.264 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 96 2.779 6.923 -7.709 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.520 6.744 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.372 5.072 -5.428 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.548 4.997 -6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.627 6.732 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.595 5.541 -3.775 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.084 5.666 -4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.229 8.067 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.468 7.681 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 6.537 9.103 -4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 7.010 7.586 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.785 8.465 -5.971 1.00 0.00 H new ATOM 1607 N ILE A 97 2.227 4.462 -8.289 1.00 0.00 N ATOM 1608 CA ILE A 97 1.775 3.359 -9.134 1.00 0.00 C ATOM 1609 C ILE A 97 2.254 2.033 -8.594 1.00 0.00 C ATOM 1610 O ILE A 97 3.464 1.738 -8.582 1.00 0.00 O ATOM 1611 CB ILE A 97 2.219 3.572 -10.640 1.00 0.00 C ATOM 1612 CG1 ILE A 97 2.673 5.025 -10.995 1.00 0.00 C ATOM 1613 CG2 ILE A 97 1.115 3.149 -11.658 1.00 0.00 C ATOM 1614 CD1 ILE A 97 3.755 5.139 -12.092 1.00 0.00 C ATOM 0 H ILE A 97 3.239 4.496 -8.163 1.00 0.00 H new ATOM 0 HA ILE A 97 0.685 3.346 -9.117 1.00 0.00 H new ATOM 0 HB ILE A 97 3.088 2.919 -10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.798 5.592 -11.313 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.049 5.500 -10.089 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.473 3.316 -12.674 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.883 2.092 -11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.217 3.742 -11.488 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.995 6.189 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE A 97 4.652 4.608 -11.775 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.382 4.701 -13.018 1.00 0.00 H new ATOM 1626 N PHE A 98 1.342 1.179 -8.167 1.00 0.00 N ATOM 1627 CA PHE A 98 1.712 -0.051 -7.465 1.00 0.00 C ATOM 1628 C PHE A 98 1.413 -1.282 -8.284 1.00 0.00 C ATOM 1629 O PHE A 98 0.825 -1.214 -9.378 1.00 0.00 O ATOM 1630 CB PHE A 98 0.944 -0.095 -6.099 1.00 0.00 C ATOM 1631 CG PHE A 98 1.536 0.806 -4.998 1.00 0.00 C ATOM 1632 CD1 PHE A 98 2.360 1.879 -5.373 1.00 0.00 C ATOM 1633 CD2 PHE A 98 1.282 0.578 -3.645 1.00 0.00 C ATOM 1634 CE1 PHE A 98 3.005 2.639 -4.405 1.00 0.00 C ATOM 1635 CE2 PHE A 98 1.924 1.345 -2.675 1.00 0.00 C ATOM 1636 CZ PHE A 98 2.816 2.347 -3.056 1.00 0.00 C ATOM 0 H PHE A 98 0.338 1.308 -8.291 1.00 0.00 H new ATOM 0 HA PHE A 98 2.788 -0.047 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.092 0.197 -6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.929 -1.124 -5.739 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.493 2.115 -6.419 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.587 -0.194 -3.349 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.651 3.454 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 98 1.731 1.164 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 98 3.361 2.898 -2.304 1.00 0.00 H new ATOM 1646 N ASP A 99 1.836 -2.434 -7.799 1.00 0.00 N ATOM 1647 CA ASP A 99 1.743 -3.671 -8.575 1.00 0.00 C ATOM 1648 C ASP A 99 1.893 -4.880 -7.684 1.00 0.00 C ATOM 1649 O ASP A 99 2.983 -5.201 -7.190 1.00 0.00 O ATOM 1650 CB ASP A 99 2.790 -3.671 -9.721 1.00 0.00 C ATOM 1651 CG ASP A 99 2.450 -4.496 -10.971 1.00 0.00 C ATOM 1652 OD1 ASP A 99 1.318 -4.879 -11.229 1.00 0.00 O ATOM 1653 OD2 ASP A 99 3.547 -4.772 -11.738 1.00 0.00 O ATOM 0 H ASP A 99 2.248 -2.546 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 99 0.753 -3.723 -9.027 1.00 0.00 H new ATOM 0 HB2 ASP A 99 2.955 -2.639 -10.030 1.00 0.00 H new ATOM 0 HB3 ASP A 99 3.734 -4.038 -9.318 1.00 0.00 H new ATOM 1658 N LEU A 100 0.798 -5.588 -7.482 1.00 0.00 N ATOM 1659 CA LEU A 100 0.796 -6.763 -6.614 1.00 0.00 C ATOM 1660 C LEU A 100 1.420 -7.947 -7.311 1.00 0.00 C ATOM 1661 O LEU A 100 1.032 -8.322 -8.429 1.00 0.00 O ATOM 1662 CB LEU A 100 -0.648 -7.089 -6.140 1.00 0.00 C ATOM 1663 CG LEU A 100 -0.928 -7.120 -4.613 1.00 0.00 C ATOM 1664 CD1 LEU A 100 -0.785 -5.740 -3.950 1.00 0.00 C ATOM 1665 CD2 LEU A 100 -2.334 -7.676 -4.347 1.00 0.00 C ATOM 0 H LEU A 100 -0.105 -5.374 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 100 1.399 -6.540 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.319 -6.356 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.921 -8.062 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 100 -0.175 -7.771 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.993 -5.825 -2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.231 -5.371 -4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.491 -5.044 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.521 -7.694 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.074 -7.041 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.406 -8.688 -4.745 1.00 0.00 H new ATOM 1677 N LYS A 101 2.423 -8.552 -6.685 1.00 0.00 N ATOM 1678 CA LYS A 101 3.007 -9.786 -7.202 1.00 0.00 C ATOM 1679 C LYS A 101 2.898 -10.963 -6.246 1.00 0.00 C ATOM 1680 O LYS A 101 2.699 -10.857 -5.030 1.00 0.00 O ATOM 1681 CB LYS A 101 4.514 -9.565 -7.543 1.00 0.00 C ATOM 1682 CG LYS A 101 4.806 -8.286 -8.363 1.00 0.00 C ATOM 1683 CD LYS A 101 5.675 -8.500 -9.606 1.00 0.00 C ATOM 1684 CE LYS A 101 4.889 -8.071 -10.851 1.00 0.00 C ATOM 1685 NZ LYS A 101 5.830 -7.782 -11.948 1.00 0.00 N ATOM 0 H LYS A 101 2.848 -8.211 -5.823 1.00 0.00 H new ATOM 0 HA LYS A 101 2.431 -10.034 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 101 5.081 -9.522 -6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 101 4.878 -10.429 -8.099 1.00 0.00 H new ATOM 0 HG2 LYS A 101 3.858 -7.846 -8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.298 -7.561 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.595 -7.921 -9.525 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.963 -9.548 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.198 -8.860 -11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.289 -7.188 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.299 -7.491 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 6.472 -7.016 -11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 6.384 -8.635 -12.164 1.00 0.00 H new ATOM 1699 N ILE A 102 3.065 -12.141 -6.821 1.00 0.00 N ATOM 1700 CA ILE A 102 3.233 -13.399 -6.101 1.00 0.00 C ATOM 1701 C ILE A 102 4.510 -14.076 -6.552 1.00 0.00 C ATOM 1702 O ILE A 102 5.011 -13.808 -7.670 1.00 0.00 O ATOM 1703 CB ILE A 102 1.983 -14.358 -6.245 1.00 0.00 C ATOM 1704 CG1 ILE A 102 0.681 -13.839 -5.552 1.00 0.00 C ATOM 1705 CG2 ILE A 102 2.267 -15.801 -5.723 1.00 0.00 C ATOM 1706 CD1 ILE A 102 -0.044 -14.853 -4.644 1.00 0.00 C ATOM 0 H ILE A 102 3.089 -12.256 -7.834 1.00 0.00 H new ATOM 0 HA ILE A 102 3.307 -13.169 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 102 1.810 -14.375 -7.321 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.934 -12.962 -4.956 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.014 -13.510 -6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.375 -16.415 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 102 3.089 -16.238 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 102 2.536 -15.760 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.932 -14.388 -4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.337 -15.723 -5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.624 -15.166 -3.842 1.00 0.00 H new ATOM 1718 N GLN A 103 5.059 -14.975 -5.760 1.00 0.00 N ATOM 1719 CA GLN A 103 6.381 -15.534 -6.047 1.00 0.00 C ATOM 1720 C GLN A 103 6.456 -17.021 -5.783 1.00 0.00 C ATOM 1721 O GLN A 103 5.682 -17.612 -5.019 1.00 0.00 O ATOM 1722 CB GLN A 103 7.421 -14.768 -5.198 1.00 0.00 C ATOM 1723 CG GLN A 103 7.140 -14.699 -3.661 1.00 0.00 C ATOM 1724 CD GLN A 103 8.311 -14.742 -2.673 1.00 0.00 C ATOM 1725 OE1 GLN A 103 8.560 -15.753 -2.034 1.00 0.00 O ATOM 1726 NE2 GLN A 103 9.047 -13.677 -2.483 1.00 0.00 N ATOM 0 H GLN A 103 4.619 -15.338 -4.914 1.00 0.00 H new ATOM 0 HA GLN A 103 6.590 -15.412 -7.110 1.00 0.00 H new ATOM 0 HB2 GLN A 103 8.395 -15.233 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 103 7.492 -13.749 -5.580 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.588 -13.778 -3.472 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.475 -15.526 -3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.854 -12.824 -3.007 1.00 0.00 H new ATOM 0 HE22 GLN A 103 9.814 -13.700 -1.811 1.00 0.00 H new ATOM 1735 N GLU A 104 7.425 -17.655 -6.430 1.00 0.00 N ATOM 1736 CA GLU A 104 7.652 -19.091 -6.307 1.00 0.00 C ATOM 1737 C GLU A 104 8.938 -19.493 -6.996 1.00 0.00 C ATOM 1738 O GLU A 104 8.984 -19.876 -8.172 1.00 0.00 O ATOM 1739 CB GLU A 104 6.437 -19.856 -6.903 1.00 0.00 C ATOM 1740 CG GLU A 104 5.535 -19.104 -7.935 1.00 0.00 C ATOM 1741 CD GLU A 104 4.519 -19.919 -8.741 1.00 0.00 C ATOM 1742 OE1 GLU A 104 5.086 -20.873 -9.530 1.00 0.00 O ATOM 1743 OE2 GLU A 104 3.312 -19.727 -8.680 1.00 0.00 O ATOM 0 H GLU A 104 8.079 -17.187 -7.058 1.00 0.00 H new ATOM 0 HA GLU A 104 7.752 -19.350 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.813 -20.759 -7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.804 -20.175 -6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.988 -18.330 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.191 -18.597 -8.643 1.00 0.00 H new ATOM 1750 N ARG A 105 10.026 -19.381 -6.248 1.00 0.00 N ATOM 1751 CA ARG A 105 11.370 -19.590 -6.774 1.00 0.00 C ATOM 1752 C ARG A 105 12.152 -20.552 -5.912 1.00 0.00 C ATOM 1753 O ARG A 105 11.797 -20.833 -4.725 1.00 0.00 O ATOM 1754 CB ARG A 105 12.088 -18.215 -6.879 1.00 0.00 C ATOM 1755 CG ARG A 105 13.111 -18.093 -8.040 1.00 0.00 C ATOM 1756 CD ARG A 105 12.441 -17.790 -9.386 1.00 0.00 C ATOM 1757 NE ARG A 105 11.621 -16.561 -9.236 1.00 0.00 N ATOM 1758 CZ ARG A 105 12.084 -15.318 -9.264 1.00 0.00 C ATOM 1759 NH1 ARG A 105 13.336 -15.004 -9.412 1.00 0.00 N ATOM 1760 NH2 ARG A 105 11.230 -14.364 -9.137 1.00 0.00 N ATOM 1761 OXT ARG A 105 13.171 -21.083 -6.454 1.00 0.00 O ATOM 0 H ARG A 105 10.003 -19.142 -5.257 1.00 0.00 H new ATOM 0 HA ARG A 105 11.303 -20.038 -7.765 1.00 0.00 H new ATOM 0 HB2 ARG A 105 11.334 -17.437 -6.997 1.00 0.00 H new ATOM 0 HB3 ARG A 105 12.604 -18.019 -5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 105 13.826 -17.304 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 105 13.676 -19.021 -8.120 1.00 0.00 H new ATOM 0 HD2 ARG A 105 13.194 -17.651 -10.162 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.816 -18.628 -9.695 1.00 0.00 H new ATOM 0 HE ARG A 105 10.617 -16.683 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 105 14.037 -15.738 -9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 105 13.618 -14.024 -9.424 1.00 0.00 H new ATOM 0 HH21 ARG A 105 10.240 -14.578 -9.020 1.00 0.00 H new ATOM 0 HH22 ARG A 105 11.543 -13.393 -9.153 1.00 0.00 H new TER 1775 ARG A 105 HETATM 1776 C1 NAG A 106 -1.515 2.092 8.375 1.00 0.00 C HETATM 1777 C2 NAG A 106 -0.121 1.494 8.715 1.00 0.00 C HETATM 1778 C3 NAG A 106 -0.245 -0.041 8.965 1.00 0.00 C HETATM 1779 C4 NAG A 106 -1.339 -0.378 10.028 1.00 0.00 C HETATM 1780 C5 NAG A 106 -2.688 0.269 9.586 1.00 0.00 C HETATM 1781 C6 NAG A 106 -3.836 0.109 10.602 1.00 0.00 C HETATM 1782 C7 NAG A 106 1.752 2.762 7.685 1.00 0.00 C HETATM 1783 C8 NAG A 106 2.643 2.916 6.453 1.00 0.00 C HETATM 1784 N2 NAG A 106 0.858 1.762 7.628 1.00 0.00 N HETATM 1785 O3 NAG A 106 1.021 -0.535 9.395 1.00 0.00 O HETATM 1786 O4 NAG A 106 -1.524 -1.824 10.202 1.00 0.00 O HETATM 1787 O5 NAG A 106 -2.495 1.696 9.373 1.00 0.00 O HETATM 1788 O6 NAG A 106 -5.064 0.568 10.056 1.00 0.00 O HETATM 1789 O7 NAG A 106 1.876 3.531 8.641 1.00 0.00 O HETATM 0 HO6 NAG A 106 -5.778 0.456 10.717 1.00 0.00 H new HETATM 0 HO3 NAG A 106 0.958 -1.499 9.558 1.00 0.00 H new HETATM 0 HN2 NAG A 106 0.850 1.161 6.804 1.00 0.00 H new HETATM 0 H83 NAG A 106 3.214 2.000 6.300 1.00 0.00 H new HETATM 0 H82 NAG A 106 2.023 3.107 5.577 1.00 0.00 H new HETATM 0 H81 NAG A 106 3.328 3.751 6.601 1.00 0.00 H new HETATM 0 H62 NAG A 106 -3.930 -0.938 10.889 1.00 0.00 H new HETATM 0 H61 NAG A 106 -3.605 0.668 11.509 1.00 0.00 H new HETATM 0 H5 NAG A 106 -2.976 -0.258 8.677 1.00 0.00 H new HETATM 0 H4 NAG A 106 -1.010 0.024 10.986 1.00 0.00 H new HETATM 0 H3 NAG A 106 -0.548 -0.519 8.033 1.00 0.00 H new HETATM 0 H2 NAG A 106 0.244 1.975 9.622 1.00 0.00 H new HETATM 1803 C1 NAG A 107 -1.763 -2.261 11.583 1.00 0.00 C HETATM 1804 C2 NAG A 107 -2.622 -3.555 11.664 1.00 0.00 C HETATM 1805 C3 NAG A 107 -2.667 -4.027 13.152 1.00 0.00 C HETATM 1806 C4 NAG A 107 -1.259 -4.176 13.799 1.00 0.00 C HETATM 1807 C5 NAG A 107 -0.414 -2.886 13.571 1.00 0.00 C HETATM 1808 C6 NAG A 107 1.071 -3.031 13.953 1.00 0.00 C HETATM 1809 C7 NAG A 107 -5.157 -3.342 11.727 1.00 0.00 C HETATM 1810 C8 NAG A 107 -6.401 -3.118 10.862 1.00 0.00 C HETATM 1811 N2 NAG A 107 -3.977 -3.299 11.099 1.00 0.00 N HETATM 1812 O3 NAG A 107 -3.313 -5.292 13.223 1.00 0.00 O HETATM 1813 O4 NAG A 107 -1.401 -4.419 15.230 1.00 0.00 O HETATM 1814 O5 NAG A 107 -0.458 -2.513 12.169 1.00 0.00 O HETATM 1815 O6 NAG A 107 1.631 -1.776 14.313 1.00 0.00 O HETATM 1816 O7 NAG A 107 -5.292 -3.555 12.933 1.00 0.00 O HETATM 0 HO6 NAG A 107 2.574 -1.895 14.553 1.00 0.00 H new HETATM 0 HO3 NAG A 107 -4.283 -5.162 13.277 1.00 0.00 H new HETATM 0 HN2 NAG A 107 -4.008 -3.061 10.108 1.00 0.00 H new HETATM 0 H83 NAG A 107 -6.348 -2.134 10.396 1.00 0.00 H new HETATM 0 H82 NAG A 107 -6.448 -3.884 10.088 1.00 0.00 H new HETATM 0 H81 NAG A 107 -7.293 -3.177 11.486 1.00 0.00 H new HETATM 0 H62 NAG A 107 1.169 -3.729 14.785 1.00 0.00 H new HETATM 0 H61 NAG A 107 1.626 -3.453 13.115 1.00 0.00 H new HETATM 0 H5 NAG A 107 -0.859 -2.132 14.220 1.00 0.00 H new HETATM 0 H4 NAG A 107 -0.747 -5.018 13.332 1.00 0.00 H new HETATM 0 H3 NAG A 107 -3.208 -3.256 13.702 1.00 0.00 H new HETATM 0 H2 NAG A 107 -2.182 -4.355 11.069 1.00 0.00 H new HETATM 1830 C1 BMA A 108 -1.281 -5.781 15.716 1.00 0.00 C HETATM 1831 C2 BMA A 108 0.191 -6.097 16.093 1.00 0.00 C HETATM 1832 C3 BMA A 108 0.282 -7.506 16.750 1.00 0.00 C HETATM 1833 C4 BMA A 108 -0.701 -7.653 17.942 1.00 0.00 C HETATM 1834 C5 BMA A 108 -2.149 -7.268 17.512 1.00 0.00 C HETATM 1835 C6 BMA A 108 -3.126 -7.226 18.704 1.00 0.00 C HETATM 1836 O2 BMA A 108 0.693 -5.102 16.983 1.00 0.00 O HETATM 1837 O3 BMA A 108 1.636 -7.787 17.202 1.00 0.00 O HETATM 1838 O4 BMA A 108 -0.671 -8.997 18.411 1.00 0.00 O HETATM 1839 O5 BMA A 108 -2.151 -5.954 16.874 1.00 0.00 O HETATM 1840 O6 BMA A 108 -4.472 -7.025 18.222 1.00 0.00 O HETATM 0 HO4 BMA A 108 -1.019 -9.032 19.326 1.00 0.00 H new HETATM 0 HO2 BMA A 108 0.248 -4.247 16.803 1.00 0.00 H new HETATM 0 H62 BMA A 108 -3.067 -8.157 19.269 1.00 0.00 H new HETATM 0 H61 BMA A 108 -2.849 -6.422 19.385 1.00 0.00 H new HETATM 0 H5 BMA A 108 -2.482 -8.039 16.818 1.00 0.00 H new HETATM 0 H4 BMA A 108 -0.394 -6.979 18.742 1.00 0.00 H new HETATM 0 H3 BMA A 108 0.003 -8.227 15.982 1.00 0.00 H new HETATM 0 H2 BMA A 108 0.798 -6.093 15.187 1.00 0.00 H new HETATM 1850 C1 MAN A 109 2.491 -8.558 16.304 1.00 0.00 C HETATM 1851 C2 MAN A 109 3.435 -9.472 17.130 1.00 0.00 C HETATM 1852 C3 MAN A 109 4.546 -8.637 17.825 1.00 0.00 C HETATM 1853 C4 MAN A 109 5.276 -7.671 16.855 1.00 0.00 C HETATM 1854 C5 MAN A 109 4.252 -6.808 16.059 1.00 0.00 C HETATM 1855 C6 MAN A 109 4.886 -5.950 14.948 1.00 0.00 C HETATM 1856 O2 MAN A 109 4.043 -10.455 16.241 1.00 0.00 O HETATM 1857 O3 MAN A 109 5.492 -9.510 18.434 1.00 0.00 O HETATM 1858 O4 MAN A 109 6.153 -6.836 17.607 1.00 0.00 O HETATM 1859 O5 MAN A 109 3.262 -7.678 15.430 1.00 0.00 O HETATM 1860 O6 MAN A 109 5.585 -4.836 15.489 1.00 0.00 O HETATM 0 HO6 MAN A 109 5.978 -4.311 14.761 1.00 0.00 H new HETATM 0 HO4 MAN A 109 6.160 -5.936 17.219 1.00 0.00 H new HETATM 0 HO3 MAN A 109 6.192 -8.981 18.870 1.00 0.00 H new HETATM 0 H62 MAN A 109 5.571 -6.561 14.360 1.00 0.00 H new HETATM 0 H61 MAN A 109 4.109 -5.599 14.269 1.00 0.00 H new HETATM 0 H5 MAN A 109 3.806 -6.133 16.789 1.00 0.00 H new HETATM 0 H4 MAN A 109 5.852 -8.252 16.134 1.00 0.00 H new HETATM 0 H3 MAN A 109 4.056 -8.020 18.578 1.00 0.00 H new HETATM 0 H2 MAN A 109 2.853 -9.975 17.902 1.00 0.00 H new HETATM 1871 C1 MAN A 110 4.310 -11.771 16.805 1.00 0.00 C HETATM 1872 C2 MAN A 110 5.776 -12.191 16.527 1.00 0.00 C HETATM 1873 C3 MAN A 110 5.984 -12.564 15.037 1.00 0.00 C HETATM 1874 C4 MAN A 110 4.939 -13.592 14.532 1.00 0.00 C HETATM 1875 C5 MAN A 110 3.492 -13.109 14.853 1.00 0.00 C HETATM 1876 C6 MAN A 110 2.407 -14.162 14.553 1.00 0.00 C HETATM 1877 O2 MAN A 110 6.096 -13.304 17.358 1.00 0.00 O HETATM 1878 O3 MAN A 110 7.299 -13.078 14.851 1.00 0.00 O HETATM 1879 O4 MAN A 110 5.108 -13.771 13.129 1.00 0.00 O HETATM 1880 O5 MAN A 110 3.380 -12.764 16.270 1.00 0.00 O HETATM 1881 O6 MAN A 110 1.416 -13.653 13.670 1.00 0.00 O HETATM 0 HO6 MAN A 110 0.744 -14.345 13.499 1.00 0.00 H new HETATM 0 HO4 MAN A 110 4.452 -14.421 12.801 1.00 0.00 H new HETATM 0 HO3 MAN A 110 7.427 -13.315 13.909 1.00 0.00 H new HETATM 0 HO2 MAN A 110 6.822 -13.819 16.949 1.00 0.00 H new HETATM 0 H62 MAN A 110 2.868 -15.046 14.113 1.00 0.00 H new HETATM 0 H61 MAN A 110 1.938 -14.478 15.485 1.00 0.00 H new HETATM 0 H5 MAN A 110 3.324 -12.248 14.207 1.00 0.00 H new HETATM 0 H4 MAN A 110 5.091 -14.544 15.041 1.00 0.00 H new HETATM 0 H3 MAN A 110 5.850 -11.655 14.451 1.00 0.00 H new HETATM 0 H2 MAN A 110 6.433 -11.351 16.750 1.00 0.00 H new HETATM 1893 C1 MAN A 111 -5.433 -6.432 19.134 1.00 0.00 C HETATM 1894 C2 MAN A 111 -6.536 -5.699 18.323 1.00 0.00 C HETATM 1895 C3 MAN A 111 -5.978 -4.410 17.658 1.00 0.00 C HETATM 1896 C4 MAN A 111 -5.238 -3.497 18.675 1.00 0.00 C HETATM 1897 C5 MAN A 111 -4.164 -4.322 19.443 1.00 0.00 C HETATM 1898 C6 MAN A 111 -3.394 -3.536 20.516 1.00 0.00 C HETATM 1899 O2 MAN A 111 -7.613 -5.373 19.198 1.00 0.00 O HETATM 1900 O3 MAN A 111 -7.066 -3.671 17.038 1.00 0.00 O HETATM 1901 O4 MAN A 111 -4.633 -2.412 17.980 1.00 0.00 O HETATM 1902 O5 MAN A 111 -4.788 -5.492 20.053 1.00 0.00 O HETATM 1903 O6 MAN A 111 -2.923 -4.405 21.563 1.00 0.00 O HETATM 0 HO4 MAN A 111 -4.306 -1.752 18.626 1.00 0.00 H new HETATM 0 HO2 MAN A 111 -8.096 -4.596 18.847 1.00 0.00 H new HETATM 0 H62 MAN A 111 -2.548 -3.023 20.058 1.00 0.00 H new HETATM 0 H61 MAN A 111 -4.040 -2.768 20.941 1.00 0.00 H new HETATM 0 H5 MAN A 111 -3.424 -4.610 18.696 1.00 0.00 H new HETATM 0 H4 MAN A 111 -5.950 -3.101 19.399 1.00 0.00 H new HETATM 0 H3 MAN A 111 -5.253 -4.716 16.904 1.00 0.00 H new HETATM 0 H2 MAN A 111 -6.888 -6.357 17.528 1.00 0.00 H new HETATM 1913 C1 MAN A 112 -7.045 -3.563 15.590 1.00 0.00 C HETATM 1914 C2 MAN A 112 -7.949 -2.392 15.128 1.00 0.00 C HETATM 1915 C3 MAN A 112 -9.451 -2.746 15.289 1.00 0.00 C HETATM 1916 C4 MAN A 112 -9.817 -4.112 14.651 1.00 0.00 C HETATM 1917 C5 MAN A 112 -8.856 -5.229 15.156 1.00 0.00 C HETATM 1918 C6 MAN A 112 -9.040 -6.580 14.439 1.00 0.00 C HETATM 1919 O2 MAN A 112 -7.656 -2.100 13.765 1.00 0.00 O HETATM 1920 O3 MAN A 112 -10.253 -1.717 14.718 1.00 0.00 O HETATM 1921 O4 MAN A 112 -11.166 -4.429 14.979 1.00 0.00 O HETATM 1922 O5 MAN A 112 -7.468 -4.814 14.962 1.00 0.00 O HETATM 1923 O6 MAN A 112 -10.057 -7.358 15.058 1.00 0.00 O HETATM 0 HO6 MAN A 112 -10.154 -8.209 14.582 1.00 0.00 H new HETATM 0 HO4 MAN A 112 -11.457 -5.203 14.453 1.00 0.00 H new HETATM 0 HO3 MAN A 112 -9.809 -1.360 13.921 1.00 0.00 H new HETATM 0 HO2 MAN A 112 -6.837 -2.568 13.499 1.00 0.00 H new HETATM 0 H62 MAN A 112 -9.296 -6.408 13.394 1.00 0.00 H new HETATM 0 H61 MAN A 112 -8.100 -7.131 14.450 1.00 0.00 H new HETATM 0 H5 MAN A 112 -9.099 -5.371 16.209 1.00 0.00 H new HETATM 0 H4 MAN A 112 -9.711 -4.046 13.568 1.00 0.00 H new HETATM 0 H3 MAN A 112 -9.648 -2.828 16.358 1.00 0.00 H new HETATM 0 H2 MAN A 112 -7.748 -1.520 15.750 1.00 0.00 H new HETATM 1935 C1 MAN A 113 -2.679 -3.814 22.864 1.00 0.00 C HETATM 1936 C2 MAN A 113 -1.967 -2.445 22.702 1.00 0.00 C HETATM 1937 C3 MAN A 113 -0.501 -2.644 22.224 1.00 0.00 C HETATM 1938 C4 MAN A 113 0.283 -3.669 23.084 1.00 0.00 C HETATM 1939 C5 MAN A 113 -0.517 -4.999 23.222 1.00 0.00 C HETATM 1940 C6 MAN A 113 0.107 -6.006 24.207 1.00 0.00 C HETATM 1941 O2 MAN A 113 -1.999 -1.756 23.982 1.00 0.00 O HETATM 1942 O3 MAN A 113 0.180 -1.394 22.219 1.00 0.00 O HETATM 1943 O4 MAN A 113 1.547 -3.912 22.474 1.00 0.00 O HETATM 1944 O5 MAN A 113 -1.874 -4.717 23.684 1.00 0.00 O HETATM 1945 O6 MAN A 113 0.418 -5.386 25.449 1.00 0.00 O HETATM 0 HO6 MAN A 113 0.811 -6.048 26.056 1.00 0.00 H new HETATM 0 HO4 MAN A 113 2.051 -4.558 23.012 1.00 0.00 H new HETATM 0 HO3 MAN A 113 -0.234 -0.793 22.873 1.00 0.00 H new HETATM 0 H62 MAN A 113 -0.584 -6.832 24.373 1.00 0.00 H new HETATM 0 H61 MAN A 113 1.012 -6.430 23.773 1.00 0.00 H new HETATM 0 H5 MAN A 113 -0.505 -5.449 22.229 1.00 0.00 H new HETATM 0 H4 MAN A 113 0.430 -3.263 24.085 1.00 0.00 H new HETATM 0 H3 MAN A 113 -0.549 -3.050 21.214 1.00 0.00 H new HETATM 0 H2 MAN A 113 -2.481 -1.848 21.949 1.00 0.00 H new HETATM 1956 C1 MAN A 114 -3.300 -1.566 24.601 1.00 0.00 C HETATM 1957 C2 MAN A 114 -3.334 -0.223 25.372 1.00 0.00 C HETATM 1958 C3 MAN A 114 -2.490 -0.304 26.671 1.00 0.00 C HETATM 1959 C4 MAN A 114 -2.861 -1.528 27.548 1.00 0.00 C HETATM 1960 C5 MAN A 114 -2.828 -2.838 26.705 1.00 0.00 C HETATM 1961 C6 MAN A 114 -3.363 -4.075 27.451 1.00 0.00 C HETATM 1962 O2 MAN A 114 -4.688 0.091 25.688 1.00 0.00 O HETATM 1963 O3 MAN A 114 -2.649 0.895 27.423 1.00 0.00 O HETATM 1964 O4 MAN A 114 -1.945 -1.612 28.636 1.00 0.00 O HETATM 1965 O5 MAN A 114 -3.634 -2.674 25.498 1.00 0.00 O HETATM 1966 O6 MAN A 114 -4.776 -4.180 27.336 1.00 0.00 O HETATM 0 HO6 MAN A 114 -5.068 -3.762 26.499 1.00 0.00 H new HETATM 0 HO4 MAN A 114 -2.337 -2.154 29.352 1.00 0.00 H new HETATM 0 HO3 MAN A 114 -2.116 0.840 28.243 1.00 0.00 H new HETATM 0 HO2 MAN A 114 -4.712 0.701 26.454 1.00 0.00 H new HETATM 0 H62 MAN A 114 -2.896 -4.974 27.049 1.00 0.00 H new HETATM 0 H61 MAN A 114 -3.086 -4.015 28.503 1.00 0.00 H new HETATM 0 H5 MAN A 114 -1.776 -3.009 26.478 1.00 0.00 H new HETATM 0 H4 MAN A 114 -3.873 -1.404 27.932 1.00 0.00 H new HETATM 0 H3 MAN A 114 -1.449 -0.426 26.373 1.00 0.00 H new HETATM 0 H2 MAN A 114 -2.905 0.558 24.745 1.00 0.00 H new