USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 ASN : amide:sc= -3.99 K(o=-3.4,f=-3.9!) USER MOD Set 1.2: A 112 TYR OH : rot 150:sc= 0.582 USER MOD Set 2.1: A 32 SER OG : rot 158:sc= 1.12 USER MOD Set 2.2: A 92 TYR OH : rot 19:sc= 0.992 USER MOD Set 3.1: A 18 SER OG : rot -22:sc= 0.00661 USER MOD Set 3.2: A 22 HIS : no HE2:sc= -3.59! C(o=-3.6!,f=-6.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot -42:sc= -0.742 USER MOD Single : A 12 ASN : amide:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 13 GLN : amide:sc= -6.89! C(o=-6.9!,f=-6.2!) USER MOD Single : A 14 ASN : amide:sc= -0.112 K(o=-0.11,f=-1.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.8!) USER MOD Single : A 20 SER OG : rot -64:sc= 0.432 USER MOD Single : A 21 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.46) USER MOD Single : A 26 SER OG : rot 56:sc= 0.652 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -165:sc= 1.42 USER MOD Single : A 33 SER OG : rot 70:sc= 0.484 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -10.7! C(o=-11!,f=-13!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.44 K(o=0.44,f=-6.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0912) USER MOD Single : A 53 THR OG1 : rot 17:sc= 0.485 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.167) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -5.53 K(o=-5.5,f=-4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-2.6!) USER MOD Single : A 79 TYR OH : rot 80:sc= -1.06 USER MOD Single : A 85 THR OG1 : rot -130:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.01 K(o=-2,f=-4.6) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= -0.0108 (180deg=-0.0108) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 123:sc= -0.104 (180deg=-0.645) USER MOD Single : A 102 ASN : amide:sc= -1.76 K(o=-1.8,f=-2.4) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.442 USER MOD Single : A 114 ASN : amide:sc= -0.207 K(o=-0.21,f=-2.4!) USER MOD Single : A 115 LYS NZ :NH3+ -129:sc= -0.143 (180deg=-0.898) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 136 HIS : no HD1:sc= -7.88! C(o=-7.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 0.560 0.650 -3.024 1.00 0.00 N ATOM 14 CA VAL A 2 -0.065 1.540 -3.982 1.00 0.00 C ATOM 15 C VAL A 2 -0.521 2.801 -3.267 1.00 0.00 C ATOM 16 O VAL A 2 -0.997 2.735 -2.131 1.00 0.00 O ATOM 17 CB VAL A 2 -1.207 0.808 -4.690 1.00 0.00 C ATOM 18 CG1 VAL A 2 -2.347 0.498 -3.717 1.00 0.00 C ATOM 19 CG2 VAL A 2 -1.693 1.613 -5.884 1.00 0.00 C ATOM 0 HA VAL A 2 0.644 1.843 -4.753 1.00 0.00 H new ATOM 0 HB VAL A 2 -0.830 -0.145 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.145 -0.022 -4.246 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.975 -0.133 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.734 1.428 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.505 1.079 -6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -2.051 2.585 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.872 1.753 -6.587 1.00 0.00 H new ATOM 29 N THR A 3 -0.284 3.944 -3.875 1.00 0.00 N ATOM 30 CA THR A 3 -0.666 5.210 -3.307 1.00 0.00 C ATOM 31 C THR A 3 -2.112 5.515 -3.645 1.00 0.00 C ATOM 32 O THR A 3 -2.473 5.698 -4.794 1.00 0.00 O ATOM 33 CB THR A 3 0.317 6.256 -3.780 1.00 0.00 C ATOM 34 OG1 THR A 3 1.356 6.262 -2.830 1.00 0.00 O ATOM 35 CG2 THR A 3 -0.264 7.628 -3.771 1.00 0.00 C ATOM 0 H THR A 3 0.181 4.017 -4.780 1.00 0.00 H new ATOM 0 HA THR A 3 -0.622 5.194 -2.218 1.00 0.00 H new ATOM 0 HB THR A 3 0.627 6.017 -4.798 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.030 6.925 -3.087 1.00 0.00 H new ATOM 0 HG21 THR A 3 0.483 8.342 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.132 7.660 -4.430 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.569 7.887 -2.757 1.00 0.00 H new ATOM 43 N TRP A 4 -2.972 5.517 -2.641 1.00 0.00 N ATOM 44 CA TRP A 4 -4.348 5.883 -2.771 1.00 0.00 C ATOM 45 C TRP A 4 -4.513 7.385 -2.822 1.00 0.00 C ATOM 46 O TRP A 4 -3.881 8.115 -2.072 1.00 0.00 O ATOM 47 CB TRP A 4 -5.132 5.238 -1.645 1.00 0.00 C ATOM 48 CG TRP A 4 -5.149 3.738 -1.659 1.00 0.00 C ATOM 49 CD1 TRP A 4 -4.089 2.914 -1.544 1.00 0.00 C ATOM 50 CD2 TRP A 4 -6.296 2.873 -1.798 1.00 0.00 C ATOM 51 NE1 TRP A 4 -4.505 1.592 -1.606 1.00 0.00 N ATOM 52 CE2 TRP A 4 -5.868 1.521 -1.732 1.00 0.00 C ATOM 53 CE3 TRP A 4 -7.665 3.109 -1.939 1.00 0.00 C ATOM 54 CZ2 TRP A 4 -6.742 0.444 -1.864 1.00 0.00 C ATOM 55 CZ3 TRP A 4 -8.567 2.042 -2.020 1.00 0.00 C ATOM 56 CH2 TRP A 4 -8.109 0.712 -1.990 1.00 0.00 C ATOM 0 H TRP A 4 -2.712 5.254 -1.690 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.745 5.514 -3.717 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -4.715 5.572 -0.695 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.160 5.598 -1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -3.065 3.236 -1.421 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -3.883 0.785 -1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.031 4.124 -1.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.374 -0.571 -1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -9.625 2.241 -2.106 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -8.814 -0.103 -2.064 1.00 0.00 H new ATOM 67 N THR A 5 -5.380 7.850 -3.704 1.00 0.00 N ATOM 68 CA THR A 5 -5.605 9.269 -3.898 1.00 0.00 C ATOM 69 C THR A 5 -7.041 9.592 -3.616 1.00 0.00 C ATOM 70 O THR A 5 -7.943 9.053 -4.257 1.00 0.00 O ATOM 71 CB THR A 5 -5.164 9.677 -5.299 1.00 0.00 C ATOM 72 OG1 THR A 5 -3.800 9.974 -5.182 1.00 0.00 O ATOM 73 CG2 THR A 5 -5.839 10.948 -5.803 1.00 0.00 C ATOM 0 H THR A 5 -5.948 7.253 -4.306 1.00 0.00 H new ATOM 0 HA THR A 5 -5.003 9.849 -3.199 1.00 0.00 H new ATOM 0 HB THR A 5 -5.413 8.874 -5.993 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.448 10.245 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.478 11.179 -6.805 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.919 10.800 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.604 11.775 -5.133 1.00 0.00 H new ATOM 81 N CYS A 6 -7.270 10.475 -2.644 1.00 0.00 N ATOM 82 CA CYS A 6 -8.611 10.891 -2.288 1.00 0.00 C ATOM 83 C CYS A 6 -8.875 12.301 -2.767 1.00 0.00 C ATOM 84 O CYS A 6 -9.252 13.159 -1.968 1.00 0.00 O ATOM 85 CB CYS A 6 -8.802 10.755 -0.794 1.00 0.00 C ATOM 86 SG CYS A 6 -8.393 9.102 -0.207 1.00 0.00 S ATOM 0 H CYS A 6 -6.534 10.914 -2.091 1.00 0.00 H new ATOM 0 HA CYS A 6 -9.337 10.246 -2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.177 11.486 -0.281 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -9.837 10.984 -0.539 1.00 0.00 H new ATOM 91 N GLY A 7 -8.616 12.544 -4.060 1.00 0.00 N ATOM 92 CA GLY A 7 -8.752 13.857 -4.670 1.00 0.00 C ATOM 93 C GLY A 7 -8.136 14.955 -3.806 1.00 0.00 C ATOM 94 O GLY A 7 -8.791 15.931 -3.486 1.00 0.00 O ATOM 0 H GLY A 7 -8.304 11.822 -4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.272 13.854 -5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.808 14.073 -4.833 1.00 0.00 H new ATOM 98 N GLY A 8 -6.915 14.753 -3.329 1.00 0.00 N ATOM 99 CA GLY A 8 -6.269 15.715 -2.456 1.00 0.00 C ATOM 100 C GLY A 8 -4.780 15.473 -2.414 1.00 0.00 C ATOM 101 O GLY A 8 -4.032 16.114 -3.143 1.00 0.00 O ATOM 0 H GLY A 8 -6.353 13.927 -3.535 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.469 16.727 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.684 15.639 -1.451 1.00 0.00 H new ATOM 105 N LEU A 9 -4.359 14.505 -1.605 1.00 0.00 N ATOM 106 CA LEU A 9 -2.963 14.126 -1.497 1.00 0.00 C ATOM 107 C LEU A 9 -2.813 12.626 -1.706 1.00 0.00 C ATOM 108 O LEU A 9 -3.789 11.873 -1.650 1.00 0.00 O ATOM 109 CB LEU A 9 -2.431 14.589 -0.131 1.00 0.00 C ATOM 110 CG LEU A 9 -2.124 16.105 -0.071 1.00 0.00 C ATOM 111 CD1 LEU A 9 -2.646 16.707 1.246 1.00 0.00 C ATOM 112 CD2 LEU A 9 -0.618 16.364 -0.239 1.00 0.00 C ATOM 0 H LEU A 9 -4.982 13.963 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.370 14.611 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.164 14.344 0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.524 14.033 0.104 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.640 16.595 -0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.422 17.773 1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.724 16.561 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.162 16.214 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.426 17.436 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.071 15.863 0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.288 15.977 -1.203 1.00 0.00 H new ATOM 124 N LEU A 10 -1.582 12.202 -1.962 1.00 0.00 N ATOM 125 CA LEU A 10 -1.287 10.809 -2.196 1.00 0.00 C ATOM 126 C LEU A 10 -1.066 10.116 -0.863 1.00 0.00 C ATOM 127 O LEU A 10 -0.309 10.584 -0.028 1.00 0.00 O ATOM 128 CB LEU A 10 -0.056 10.710 -3.110 1.00 0.00 C ATOM 129 CG LEU A 10 -0.412 10.636 -4.614 1.00 0.00 C ATOM 130 CD1 LEU A 10 -1.180 11.866 -5.065 1.00 0.00 C ATOM 131 CD2 LEU A 10 0.858 10.439 -5.451 1.00 0.00 C ATOM 0 H LEU A 10 -0.769 12.816 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.119 10.311 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.585 11.574 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.520 9.826 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.064 9.776 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.413 11.780 -6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.106 11.946 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.573 12.756 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.593 10.389 -6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.536 11.277 -5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.349 9.512 -5.155 1.00 0.00 H new ATOM 143 N TYR A 11 -1.671 8.954 -0.676 1.00 0.00 N ATOM 144 CA TYR A 11 -1.647 8.211 0.563 1.00 0.00 C ATOM 145 C TYR A 11 -1.092 6.826 0.329 1.00 0.00 C ATOM 146 O TYR A 11 -1.715 5.990 -0.312 1.00 0.00 O ATOM 147 CB TYR A 11 -3.066 8.125 1.128 1.00 0.00 C ATOM 148 CG TYR A 11 -3.692 9.463 1.435 1.00 0.00 C ATOM 149 CD1 TYR A 11 -3.148 10.272 2.451 1.00 0.00 C ATOM 150 CD2 TYR A 11 -4.793 9.916 0.683 1.00 0.00 C ATOM 151 CE1 TYR A 11 -3.726 11.520 2.740 1.00 0.00 C ATOM 152 CE2 TYR A 11 -5.330 11.188 0.935 1.00 0.00 C ATOM 153 CZ TYR A 11 -4.814 11.973 1.979 1.00 0.00 C ATOM 154 OH TYR A 11 -5.401 13.137 2.301 1.00 0.00 O ATOM 0 H TYR A 11 -2.208 8.491 -1.409 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.004 8.722 1.280 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.698 7.596 0.414 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.046 7.528 2.040 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.287 9.934 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.222 9.288 -0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.335 12.127 3.543 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.140 11.563 0.326 1.00 0.00 H new ATOM 0 HH TYR A 11 -5.491 13.200 3.275 1.00 0.00 H new ATOM 164 N ASN A 12 0.102 6.534 0.829 1.00 0.00 N ATOM 165 CA ASN A 12 0.694 5.230 0.644 1.00 0.00 C ATOM 166 C ASN A 12 -0.143 4.216 1.379 1.00 0.00 C ATOM 167 O ASN A 12 -0.195 4.289 2.598 1.00 0.00 O ATOM 168 CB ASN A 12 2.131 5.225 1.180 1.00 0.00 C ATOM 169 CG ASN A 12 3.043 4.479 0.241 1.00 0.00 C ATOM 170 OD1 ASN A 12 3.555 5.018 -0.709 1.00 0.00 O ATOM 171 ND2 ASN A 12 3.237 3.201 0.493 1.00 0.00 N ATOM 0 H ASN A 12 0.674 7.187 1.365 1.00 0.00 H new ATOM 0 HA ASN A 12 0.726 4.981 -0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.484 6.249 1.301 1.00 0.00 H new ATOM 0 HB3 ASN A 12 2.156 4.761 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.831 2.644 -0.121 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.793 2.768 1.303 1.00 0.00 H new ATOM 178 N GLN A 13 -0.712 3.234 0.681 1.00 0.00 N ATOM 179 CA GLN A 13 -1.519 2.218 1.311 1.00 0.00 C ATOM 180 C GLN A 13 -0.831 1.635 2.516 1.00 0.00 C ATOM 181 O GLN A 13 -1.433 1.528 3.545 1.00 0.00 O ATOM 182 CB GLN A 13 -1.821 1.068 0.354 1.00 0.00 C ATOM 183 CG GLN A 13 -2.608 -0.075 1.005 1.00 0.00 C ATOM 184 CD GLN A 13 -3.713 0.479 1.876 1.00 0.00 C ATOM 185 OE1 GLN A 13 -3.896 0.099 3.010 1.00 0.00 O ATOM 186 NE2 GLN A 13 -4.390 1.491 1.367 1.00 0.00 N ATOM 0 H GLN A 13 -0.621 3.130 -0.330 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.444 2.711 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.387 1.451 -0.495 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.883 0.676 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.031 -0.719 0.234 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.938 -0.692 1.604 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.215 1.790 0.408 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.088 1.974 1.933 1.00 0.00 H new ATOM 195 N ASN A 14 0.466 1.367 2.419 1.00 0.00 N ATOM 196 CA ASN A 14 1.238 0.890 3.537 1.00 0.00 C ATOM 197 C ASN A 14 0.998 1.739 4.767 1.00 0.00 C ATOM 198 O ASN A 14 0.772 1.216 5.811 1.00 0.00 O ATOM 199 CB ASN A 14 2.733 0.995 3.237 1.00 0.00 C ATOM 200 CG ASN A 14 3.530 -0.077 3.953 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.021 -1.067 4.410 1.00 0.00 O ATOM 202 ND2 ASN A 14 4.820 0.105 3.995 1.00 0.00 N ATOM 0 H ASN A 14 1.003 1.478 1.559 1.00 0.00 H new ATOM 0 HA ASN A 14 0.933 -0.142 3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.894 0.910 2.162 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.095 1.978 3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.421 -0.600 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.229 0.952 3.601 1.00 0.00 H new ATOM 209 N LYS A 15 1.058 3.060 4.672 1.00 0.00 N ATOM 210 CA LYS A 15 0.672 3.964 5.727 1.00 0.00 C ATOM 211 C LYS A 15 -0.825 3.928 6.007 1.00 0.00 C ATOM 212 O LYS A 15 -1.184 3.991 7.146 1.00 0.00 O ATOM 213 CB LYS A 15 1.119 5.381 5.375 1.00 0.00 C ATOM 214 CG LYS A 15 2.398 5.715 6.147 1.00 0.00 C ATOM 215 CD LYS A 15 3.356 6.539 5.278 1.00 0.00 C ATOM 216 CE LYS A 15 4.811 6.315 5.713 1.00 0.00 C ATOM 217 NZ LYS A 15 5.720 7.177 4.929 1.00 0.00 N ATOM 0 H LYS A 15 1.387 3.538 3.833 1.00 0.00 H new ATOM 0 HA LYS A 15 1.168 3.638 6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.296 5.463 4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.334 6.095 5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.149 6.272 7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.888 4.795 6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.237 6.260 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.107 7.597 5.356 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.918 6.534 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.082 5.268 5.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.701 7.015 5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.629 6.949 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.470 8.175 5.082 1.00 0.00 H new ATOM 231 N ALA A 16 -1.694 3.745 5.044 1.00 0.00 N ATOM 232 CA ALA A 16 -3.102 3.556 5.272 1.00 0.00 C ATOM 233 C ALA A 16 -3.407 2.382 6.205 1.00 0.00 C ATOM 234 O ALA A 16 -4.177 2.524 7.146 1.00 0.00 O ATOM 235 CB ALA A 16 -3.784 3.389 3.934 1.00 0.00 C ATOM 0 H ALA A 16 -1.434 3.723 4.058 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.489 4.437 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.854 3.244 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.621 4.281 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.370 2.521 3.420 1.00 0.00 H new ATOM 241 N GLU A 17 -2.754 1.245 5.996 1.00 0.00 N ATOM 242 CA GLU A 17 -2.926 0.075 6.814 1.00 0.00 C ATOM 243 C GLU A 17 -2.003 0.166 8.011 1.00 0.00 C ATOM 244 O GLU A 17 -2.426 -0.162 9.092 1.00 0.00 O ATOM 245 CB GLU A 17 -2.667 -1.216 6.034 1.00 0.00 C ATOM 246 CG GLU A 17 -1.394 -1.138 5.202 1.00 0.00 C ATOM 247 CD GLU A 17 -0.884 -2.494 4.784 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.662 -3.212 4.130 1.00 0.00 O ATOM 249 OE2 GLU A 17 0.287 -2.775 5.112 1.00 0.00 O ATOM 0 H GLU A 17 -2.082 1.119 5.239 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.963 0.040 7.147 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.593 -2.051 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.515 -1.420 5.380 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.583 -0.536 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.622 -0.626 5.775 1.00 0.00 H new ATOM 256 N SER A 18 -0.785 0.677 7.880 1.00 0.00 N ATOM 257 CA SER A 18 0.222 0.774 8.908 1.00 0.00 C ATOM 258 C SER A 18 -0.190 1.830 9.891 1.00 0.00 C ATOM 259 O SER A 18 -0.382 1.515 11.047 1.00 0.00 O ATOM 260 CB SER A 18 1.598 1.159 8.380 1.00 0.00 C ATOM 261 OG SER A 18 2.539 1.253 9.437 1.00 0.00 O ATOM 0 H SER A 18 -0.462 1.057 6.991 1.00 0.00 H new ATOM 0 HA SER A 18 0.299 -0.216 9.358 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.933 0.418 7.654 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.537 2.113 7.857 1.00 0.00 H new ATOM 0 HG SER A 18 2.067 1.396 10.284 1.00 0.00 H new ATOM 267 N ASN A 19 -0.340 3.084 9.474 1.00 0.00 N ATOM 268 CA ASN A 19 -0.866 4.144 10.304 1.00 0.00 C ATOM 269 C ASN A 19 -2.043 3.690 11.154 1.00 0.00 C ATOM 270 O ASN A 19 -2.120 4.058 12.320 1.00 0.00 O ATOM 271 CB ASN A 19 -1.299 5.358 9.489 1.00 0.00 C ATOM 272 CG ASN A 19 -1.489 6.565 10.351 1.00 0.00 C ATOM 273 OD1 ASN A 19 -2.496 7.227 10.321 1.00 0.00 O ATOM 274 ND2 ASN A 19 -0.487 6.899 11.122 1.00 0.00 N ATOM 0 H ASN A 19 -0.093 3.389 8.533 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.041 4.424 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.550 5.570 8.726 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.230 5.133 8.968 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.551 7.730 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.358 6.328 11.136 1.00 0.00 H new ATOM 281 N SER A 20 -2.871 2.805 10.587 1.00 0.00 N ATOM 282 CA SER A 20 -3.960 2.185 11.295 1.00 0.00 C ATOM 283 C SER A 20 -3.558 1.004 12.147 1.00 0.00 C ATOM 284 O SER A 20 -4.097 0.832 13.224 1.00 0.00 O ATOM 285 CB SER A 20 -5.032 1.720 10.319 1.00 0.00 C ATOM 286 OG SER A 20 -5.160 0.306 10.182 1.00 0.00 O ATOM 0 H SER A 20 -2.790 2.507 9.615 1.00 0.00 H new ATOM 0 HA SER A 20 -4.335 2.958 11.965 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.992 2.126 10.639 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.817 2.145 9.339 1.00 0.00 H new ATOM 0 HG SER A 20 -4.334 -0.062 9.804 1.00 0.00 H new ATOM 292 N HIS A 21 -2.620 0.164 11.695 1.00 0.00 N ATOM 293 CA HIS A 21 -2.100 -0.991 12.385 1.00 0.00 C ATOM 294 C HIS A 21 -1.833 -0.637 13.836 1.00 0.00 C ATOM 295 O HIS A 21 -2.105 -1.446 14.716 1.00 0.00 O ATOM 296 CB HIS A 21 -0.831 -1.532 11.703 1.00 0.00 C ATOM 297 CG HIS A 21 -1.065 -2.567 10.630 1.00 0.00 C ATOM 298 ND1 HIS A 21 -0.127 -3.495 10.244 1.00 0.00 N ATOM 299 CD2 HIS A 21 -2.203 -2.773 9.896 1.00 0.00 C ATOM 300 CE1 HIS A 21 -0.681 -4.251 9.272 1.00 0.00 C ATOM 301 NE2 HIS A 21 -1.940 -3.826 9.040 1.00 0.00 N ATOM 0 H HIS A 21 -2.186 0.293 10.781 1.00 0.00 H new ATOM 0 HA HIS A 21 -2.845 -1.786 12.344 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.289 -0.694 11.264 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -0.185 -1.964 12.467 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.127 -2.220 9.972 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -0.193 -5.068 8.761 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -2.586 -4.214 8.352 1.00 0.00 H new ATOM 310 N HIS A 22 -1.321 0.573 14.081 1.00 0.00 N ATOM 311 CA HIS A 22 -1.096 1.086 15.403 1.00 0.00 C ATOM 312 C HIS A 22 -2.392 1.473 16.094 1.00 0.00 C ATOM 313 O HIS A 22 -2.587 1.072 17.235 1.00 0.00 O ATOM 314 CB HIS A 22 -0.125 2.268 15.362 1.00 0.00 C ATOM 315 CG HIS A 22 0.672 2.432 14.091 1.00 0.00 C ATOM 316 ND1 HIS A 22 0.839 3.635 13.454 1.00 0.00 N ATOM 317 CD2 HIS A 22 1.321 1.450 13.385 1.00 0.00 C ATOM 318 CE1 HIS A 22 1.611 3.391 12.375 1.00 0.00 C ATOM 319 NE2 HIS A 22 1.926 2.078 12.312 1.00 0.00 N ATOM 0 H HIS A 22 -1.052 1.222 13.342 1.00 0.00 H new ATOM 0 HA HIS A 22 -0.647 0.286 15.991 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -0.692 3.183 15.531 1.00 0.00 H new ATOM 0 HB3 HIS A 22 0.573 2.167 16.193 1.00 0.00 H new ATOM 0 HD1 HIS A 22 0.455 4.536 13.740 1.00 0.00 H new ATOM 0 HD2 HIS A 22 1.353 0.397 13.621 1.00 0.00 H new ATOM 0 HE1 HIS A 22 1.931 4.138 11.664 1.00 0.00 H new ATOM 328 N ALA A 23 -3.242 2.241 15.402 1.00 0.00 N ATOM 329 CA ALA A 23 -4.560 2.595 15.858 1.00 0.00 C ATOM 330 C ALA A 23 -5.238 1.459 16.643 1.00 0.00 C ATOM 331 O ALA A 23 -5.248 0.299 16.209 1.00 0.00 O ATOM 332 CB ALA A 23 -5.439 3.037 14.700 1.00 0.00 C ATOM 0 H ALA A 23 -3.012 2.635 14.490 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.435 3.432 16.545 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.429 3.298 15.074 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.993 3.906 14.216 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.526 2.224 13.979 1.00 0.00 H new ATOM 338 N PRO A 24 -5.765 1.772 17.830 1.00 0.00 N ATOM 339 CA PRO A 24 -6.366 0.777 18.683 1.00 0.00 C ATOM 340 C PRO A 24 -7.704 0.358 18.114 1.00 0.00 C ATOM 341 O PRO A 24 -8.574 1.200 17.901 1.00 0.00 O ATOM 342 CB PRO A 24 -6.474 1.416 20.056 1.00 0.00 C ATOM 343 CG PRO A 24 -6.331 2.915 19.828 1.00 0.00 C ATOM 344 CD PRO A 24 -5.815 3.100 18.414 1.00 0.00 C ATOM 0 HA PRO A 24 -5.776 -0.137 18.752 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.431 1.181 20.523 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.695 1.046 20.722 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.289 3.418 19.958 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.641 3.351 20.551 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.473 3.754 17.841 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.828 3.563 18.416 1.00 0.00 H new ATOM 352 N LEU A 25 -7.875 -0.948 17.882 1.00 0.00 N ATOM 353 CA LEU A 25 -9.103 -1.503 17.350 1.00 0.00 C ATOM 354 C LEU A 25 -10.270 -1.218 18.273 1.00 0.00 C ATOM 355 O LEU A 25 -10.453 -1.906 19.275 1.00 0.00 O ATOM 356 CB LEU A 25 -8.921 -3.003 17.068 1.00 0.00 C ATOM 357 CG LEU A 25 -9.654 -3.500 15.820 1.00 0.00 C ATOM 358 CD1 LEU A 25 -9.500 -2.536 14.645 1.00 0.00 C ATOM 359 CD2 LEU A 25 -9.128 -4.888 15.465 1.00 0.00 C ATOM 0 H LEU A 25 -7.154 -1.646 18.063 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.337 -1.019 16.402 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.857 -3.214 16.959 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.272 -3.569 17.931 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.721 -3.554 16.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.036 -2.928 13.780 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -9.911 -1.563 14.916 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.444 -2.428 14.399 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.642 -5.256 14.577 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.057 -4.832 15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.309 -5.569 16.296 1.00 0.00 H new ATOM 371 N SER A 26 -10.999 -0.151 17.985 1.00 0.00 N ATOM 372 CA SER A 26 -12.106 0.301 18.803 1.00 0.00 C ATOM 373 C SER A 26 -12.719 1.556 18.217 1.00 0.00 C ATOM 374 O SER A 26 -12.156 2.131 17.286 1.00 0.00 O ATOM 375 CB SER A 26 -11.683 0.559 20.237 1.00 0.00 C ATOM 376 OG SER A 26 -11.989 -0.515 21.106 1.00 0.00 O ATOM 0 H SER A 26 -10.833 0.431 17.164 1.00 0.00 H new ATOM 0 HA SER A 26 -12.848 -0.497 18.810 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.610 0.747 20.265 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.175 1.462 20.598 1.00 0.00 H new ATOM 0 HG SER A 26 -11.585 -1.339 20.762 1.00 0.00 H new ATOM 382 N ASP A 27 -13.834 2.001 18.787 1.00 0.00 N ATOM 383 CA ASP A 27 -14.541 3.195 18.367 1.00 0.00 C ATOM 384 C ASP A 27 -14.383 4.280 19.407 1.00 0.00 C ATOM 385 O ASP A 27 -14.754 4.075 20.551 1.00 0.00 O ATOM 386 CB ASP A 27 -16.022 2.887 18.125 1.00 0.00 C ATOM 387 CG ASP A 27 -17.015 3.803 18.853 1.00 0.00 C ATOM 388 OD1 ASP A 27 -17.464 3.481 19.963 1.00 0.00 O ATOM 389 OD2 ASP A 27 -17.438 4.785 18.206 1.00 0.00 O ATOM 0 H ASP A 27 -14.278 1.526 19.573 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.112 3.546 17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.217 2.947 17.054 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.215 1.858 18.427 1.00 0.00 H new ATOM 394 N GLY A 28 -13.794 5.412 19.033 1.00 0.00 N ATOM 395 CA GLY A 28 -13.646 6.516 19.962 1.00 0.00 C ATOM 396 C GLY A 28 -13.137 6.060 21.320 1.00 0.00 C ATOM 397 O GLY A 28 -13.827 6.167 22.327 1.00 0.00 O ATOM 0 H GLY A 28 -13.416 5.584 18.101 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.956 7.249 19.545 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.607 7.016 20.085 1.00 0.00 H new ATOM 401 N LYS A 29 -11.912 5.531 21.349 1.00 0.00 N ATOM 402 CA LYS A 29 -11.292 5.071 22.580 1.00 0.00 C ATOM 403 C LYS A 29 -9.923 5.681 22.771 1.00 0.00 C ATOM 404 O LYS A 29 -9.137 5.222 23.600 1.00 0.00 O ATOM 405 CB LYS A 29 -11.321 3.542 22.610 1.00 0.00 C ATOM 406 CG LYS A 29 -10.212 2.929 21.746 1.00 0.00 C ATOM 407 CD LYS A 29 -9.711 1.617 22.351 1.00 0.00 C ATOM 408 CE LYS A 29 -8.872 1.858 23.601 1.00 0.00 C ATOM 409 NZ LYS A 29 -7.904 0.759 23.789 1.00 0.00 N ATOM 0 H LYS A 29 -11.329 5.412 20.520 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.860 5.415 23.444 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.212 3.197 23.638 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.291 3.191 22.258 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.588 2.749 20.739 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.384 3.632 21.657 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.562 0.983 22.600 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.117 1.079 21.612 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.343 2.807 23.514 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.521 1.933 24.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.339 0.936 24.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.416 -0.140 23.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.274 0.706 22.963 1.00 0.00 H new ATOM 423 N THR A 30 -9.586 6.639 21.919 1.00 0.00 N ATOM 424 CA THR A 30 -8.271 7.240 21.882 1.00 0.00 C ATOM 425 C THR A 30 -8.412 8.690 22.270 1.00 0.00 C ATOM 426 O THR A 30 -9.483 9.262 22.058 1.00 0.00 O ATOM 427 CB THR A 30 -7.682 7.078 20.484 1.00 0.00 C ATOM 428 OG1 THR A 30 -8.306 8.067 19.702 1.00 0.00 O ATOM 429 CG2 THR A 30 -7.995 5.728 19.853 1.00 0.00 C ATOM 0 H THR A 30 -10.230 7.022 21.227 1.00 0.00 H new ATOM 0 HA THR A 30 -7.590 6.754 22.581 1.00 0.00 H new ATOM 0 HB THR A 30 -6.596 7.159 20.541 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.152 7.879 18.753 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.547 5.678 18.860 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.587 4.932 20.476 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.075 5.607 19.771 1.00 0.00 H new ATOM 437 N GLY A 31 -7.354 9.273 22.838 1.00 0.00 N ATOM 438 CA GLY A 31 -7.348 10.661 23.261 1.00 0.00 C ATOM 439 C GLY A 31 -8.071 11.571 22.283 1.00 0.00 C ATOM 440 O GLY A 31 -9.033 12.239 22.661 1.00 0.00 O ATOM 0 H GLY A 31 -6.476 8.786 23.015 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -7.818 10.741 24.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.318 10.999 23.373 1.00 0.00 H new ATOM 444 N SER A 32 -7.594 11.592 21.034 1.00 0.00 N ATOM 445 CA SER A 32 -8.238 12.347 19.989 1.00 0.00 C ATOM 446 C SER A 32 -9.631 11.841 19.733 1.00 0.00 C ATOM 447 O SER A 32 -10.544 12.654 19.889 1.00 0.00 O ATOM 448 CB SER A 32 -7.428 12.328 18.699 1.00 0.00 C ATOM 449 OG SER A 32 -8.173 12.983 17.676 1.00 0.00 O ATOM 0 H SER A 32 -6.759 11.088 20.735 1.00 0.00 H new ATOM 0 HA SER A 32 -8.300 13.379 20.334 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.471 12.828 18.847 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.209 11.301 18.407 1.00 0.00 H new ATOM 0 HG SER A 32 -7.562 13.296 16.976 1.00 0.00 H new ATOM 455 N SER A 33 -9.761 10.582 19.283 1.00 0.00 N ATOM 456 CA SER A 33 -11.029 9.917 18.998 1.00 0.00 C ATOM 457 C SER A 33 -10.789 8.746 18.066 1.00 0.00 C ATOM 458 O SER A 33 -11.059 7.609 18.420 1.00 0.00 O ATOM 459 CB SER A 33 -12.038 10.873 18.341 1.00 0.00 C ATOM 460 OG SER A 33 -12.951 11.452 19.249 1.00 0.00 O ATOM 0 H SER A 33 -8.954 9.984 19.104 1.00 0.00 H new ATOM 0 HA SER A 33 -11.444 9.576 19.946 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.493 11.668 17.832 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.595 10.330 17.578 1.00 0.00 H new ATOM 0 HG SER A 33 -12.480 12.090 19.825 1.00 0.00 H new ATOM 466 N TYR A 34 -10.214 9.019 16.898 1.00 0.00 N ATOM 467 CA TYR A 34 -9.902 8.028 15.909 1.00 0.00 C ATOM 468 C TYR A 34 -9.010 6.883 16.440 1.00 0.00 C ATOM 469 O TYR A 34 -8.066 7.150 17.164 1.00 0.00 O ATOM 470 CB TYR A 34 -9.214 8.716 14.738 1.00 0.00 C ATOM 471 CG TYR A 34 -9.993 9.885 14.172 1.00 0.00 C ATOM 472 CD1 TYR A 34 -9.813 11.182 14.691 1.00 0.00 C ATOM 473 CD2 TYR A 34 -10.893 9.689 13.111 1.00 0.00 C ATOM 474 CE1 TYR A 34 -10.533 12.269 14.155 1.00 0.00 C ATOM 475 CE2 TYR A 34 -11.602 10.775 12.566 1.00 0.00 C ATOM 476 CZ TYR A 34 -11.433 12.064 13.092 1.00 0.00 C ATOM 477 OH TYR A 34 -12.152 13.080 12.561 1.00 0.00 O ATOM 0 H TYR A 34 -9.951 9.964 16.620 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.840 7.564 15.604 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.233 9.067 15.060 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.047 7.985 13.947 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.120 11.344 15.503 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.042 8.697 12.711 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.394 13.260 14.560 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.279 10.615 11.740 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.716 12.738 11.836 1.00 0.00 H new ATOM 487 N PRO A 35 -9.217 5.653 15.954 1.00 0.00 N ATOM 488 CA PRO A 35 -10.257 5.354 14.993 1.00 0.00 C ATOM 489 C PRO A 35 -11.633 5.348 15.646 1.00 0.00 C ATOM 490 O PRO A 35 -11.791 5.399 16.863 1.00 0.00 O ATOM 491 CB PRO A 35 -9.920 4.013 14.386 1.00 0.00 C ATOM 492 CG PRO A 35 -8.957 3.365 15.383 1.00 0.00 C ATOM 493 CD PRO A 35 -8.490 4.461 16.344 1.00 0.00 C ATOM 0 HA PRO A 35 -10.300 6.121 14.220 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.814 3.405 14.247 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.457 4.127 13.406 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.452 2.561 15.928 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.107 2.922 14.864 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.703 4.192 17.379 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.414 4.616 16.270 1.00 0.00 H new ATOM 501 N HIS A 36 -12.664 5.426 14.822 1.00 0.00 N ATOM 502 CA HIS A 36 -14.042 5.493 15.282 1.00 0.00 C ATOM 503 C HIS A 36 -14.917 4.603 14.443 1.00 0.00 C ATOM 504 O HIS A 36 -14.416 3.975 13.536 1.00 0.00 O ATOM 505 CB HIS A 36 -14.565 6.925 15.307 1.00 0.00 C ATOM 506 CG HIS A 36 -14.399 7.717 14.040 1.00 0.00 C ATOM 507 ND1 HIS A 36 -15.401 8.441 13.440 1.00 0.00 N ATOM 508 CD2 HIS A 36 -13.269 7.850 13.290 1.00 0.00 C ATOM 509 CE1 HIS A 36 -14.898 9.014 12.334 1.00 0.00 C ATOM 510 NE2 HIS A 36 -13.602 8.688 12.249 1.00 0.00 N ATOM 0 H HIS A 36 -12.568 5.445 13.807 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.069 5.132 16.310 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -15.626 6.898 15.557 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -14.061 7.459 16.113 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.309 7.392 13.474 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.444 9.630 11.635 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.960 9.011 11.525 1.00 0.00 H new ATOM 519 N TRP A 37 -16.192 4.462 14.781 1.00 0.00 N ATOM 520 CA TRP A 37 -17.097 3.631 14.015 1.00 0.00 C ATOM 521 C TRP A 37 -17.462 4.359 12.726 1.00 0.00 C ATOM 522 O TRP A 37 -17.844 5.529 12.741 1.00 0.00 O ATOM 523 CB TRP A 37 -18.324 3.301 14.853 1.00 0.00 C ATOM 524 CG TRP A 37 -19.443 2.663 14.091 1.00 0.00 C ATOM 525 CD1 TRP A 37 -19.390 1.579 13.284 1.00 0.00 C ATOM 526 CD2 TRP A 37 -20.814 3.086 14.061 1.00 0.00 C ATOM 527 NE1 TRP A 37 -20.632 1.298 12.754 1.00 0.00 N ATOM 528 CE2 TRP A 37 -21.547 2.212 13.204 1.00 0.00 C ATOM 529 CE3 TRP A 37 -21.496 4.136 14.690 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -22.906 2.356 12.974 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -22.871 4.302 14.474 1.00 0.00 C ATOM 532 CH2 TRP A 37 -23.549 3.425 13.605 1.00 0.00 C ATOM 0 H TRP A 37 -16.620 4.918 15.587 1.00 0.00 H new ATOM 0 HA TRP A 37 -16.621 2.687 13.750 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -18.027 2.635 15.663 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -18.691 4.218 15.313 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -18.495 1.010 13.082 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -20.838 0.525 12.121 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -20.964 4.815 15.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -23.445 1.672 12.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -23.407 5.097 14.971 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -24.601 3.584 13.420 1.00 0.00 H new ATOM 543 N PHE A 38 -17.348 3.653 11.615 1.00 0.00 N ATOM 544 CA PHE A 38 -17.611 4.121 10.293 1.00 0.00 C ATOM 545 C PHE A 38 -18.958 3.597 9.894 1.00 0.00 C ATOM 546 O PHE A 38 -19.040 2.612 9.156 1.00 0.00 O ATOM 547 CB PHE A 38 -16.543 3.581 9.344 1.00 0.00 C ATOM 548 CG PHE A 38 -16.759 3.965 7.907 1.00 0.00 C ATOM 549 CD1 PHE A 38 -16.833 5.318 7.558 1.00 0.00 C ATOM 550 CD2 PHE A 38 -16.957 2.986 6.920 1.00 0.00 C ATOM 551 CE1 PHE A 38 -17.104 5.676 6.236 1.00 0.00 C ATOM 552 CE2 PHE A 38 -17.166 3.344 5.579 1.00 0.00 C ATOM 553 CZ PHE A 38 -17.244 4.695 5.241 1.00 0.00 C ATOM 0 H PHE A 38 -17.050 2.678 11.628 1.00 0.00 H new ATOM 0 HA PHE A 38 -17.595 5.210 10.252 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -15.567 3.945 9.665 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.518 2.494 9.420 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.681 6.081 8.307 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.948 1.942 7.197 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -17.207 6.719 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.265 2.583 4.819 1.00 0.00 H new ATOM 0 HZ PHE A 38 -17.412 4.986 4.215 1.00 0.00 H new ATOM 563 N THR A 39 -20.008 4.240 10.406 1.00 0.00 N ATOM 564 CA THR A 39 -21.393 3.948 10.068 1.00 0.00 C ATOM 565 C THR A 39 -21.532 3.655 8.593 1.00 0.00 C ATOM 566 O THR A 39 -22.312 2.794 8.236 1.00 0.00 O ATOM 567 CB THR A 39 -22.270 5.153 10.421 1.00 0.00 C ATOM 568 OG1 THR A 39 -21.851 6.246 9.624 1.00 0.00 O ATOM 569 CG2 THR A 39 -22.074 5.599 11.859 1.00 0.00 C ATOM 0 H THR A 39 -19.912 4.996 11.084 1.00 0.00 H new ATOM 0 HA THR A 39 -21.710 3.073 10.635 1.00 0.00 H new ATOM 0 HB THR A 39 -23.308 4.863 10.261 1.00 0.00 H new ATOM 0 HG1 THR A 39 -22.400 7.031 9.831 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.716 6.456 12.065 1.00 0.00 H new ATOM 0 HG22 THR A 39 -22.333 4.782 12.532 1.00 0.00 H new ATOM 0 HG23 THR A 39 -21.032 5.880 12.014 1.00 0.00 H new ATOM 577 N ASN A 40 -20.710 4.271 7.730 1.00 0.00 N ATOM 578 CA ASN A 40 -20.706 4.044 6.301 1.00 0.00 C ATOM 579 C ASN A 40 -22.081 4.413 5.729 1.00 0.00 C ATOM 580 O ASN A 40 -22.499 3.970 4.670 1.00 0.00 O ATOM 581 CB ASN A 40 -20.312 2.577 5.996 1.00 0.00 C ATOM 582 CG ASN A 40 -20.277 2.285 4.508 1.00 0.00 C ATOM 583 OD1 ASN A 40 -20.075 3.131 3.659 1.00 0.00 O ATOM 584 ND2 ASN A 40 -20.399 1.035 4.146 1.00 0.00 N ATOM 0 H ASN A 40 -20.016 4.957 8.028 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.962 4.678 5.819 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.333 2.370 6.427 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.022 1.905 6.479 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -20.324 0.780 3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.569 0.315 4.848 1.00 0.00 H new ATOM 591 N GLY A 41 -22.890 5.112 6.509 1.00 0.00 N ATOM 592 CA GLY A 41 -24.232 5.416 6.145 1.00 0.00 C ATOM 593 C GLY A 41 -25.225 4.781 7.082 1.00 0.00 C ATOM 594 O GLY A 41 -26.232 5.422 7.369 1.00 0.00 O ATOM 0 H GLY A 41 -22.614 5.481 7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -24.372 6.497 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -24.420 5.070 5.128 1.00 0.00 H new ATOM 598 N TYR A 42 -24.984 3.529 7.506 1.00 0.00 N ATOM 599 CA TYR A 42 -25.858 2.770 8.376 1.00 0.00 C ATOM 600 C TYR A 42 -26.246 3.598 9.590 1.00 0.00 C ATOM 601 O TYR A 42 -25.524 4.502 10.006 1.00 0.00 O ATOM 602 CB TYR A 42 -25.134 1.494 8.806 1.00 0.00 C ATOM 603 CG TYR A 42 -24.972 0.460 7.710 1.00 0.00 C ATOM 604 CD1 TYR A 42 -26.084 -0.262 7.268 1.00 0.00 C ATOM 605 CD2 TYR A 42 -23.727 0.204 7.112 1.00 0.00 C ATOM 606 CE1 TYR A 42 -25.966 -1.252 6.278 1.00 0.00 C ATOM 607 CE2 TYR A 42 -23.593 -0.766 6.104 1.00 0.00 C ATOM 608 CZ TYR A 42 -24.713 -1.510 5.700 1.00 0.00 C ATOM 609 OH TYR A 42 -24.587 -2.490 4.786 1.00 0.00 O ATOM 0 H TYR A 42 -24.146 3.013 7.237 1.00 0.00 H new ATOM 0 HA TYR A 42 -26.772 2.509 7.843 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -24.147 1.762 9.183 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -25.681 1.043 9.634 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -27.054 -0.055 7.696 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -22.859 0.761 7.432 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -26.835 -1.811 5.963 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -22.632 -0.938 5.642 1.00 0.00 H new ATOM 0 HH TYR A 42 -23.656 -2.538 4.484 1.00 0.00 H new ATOM 619 N ASP A 43 -27.376 3.256 10.193 1.00 0.00 N ATOM 620 CA ASP A 43 -27.809 3.963 11.388 1.00 0.00 C ATOM 621 C ASP A 43 -27.127 3.395 12.621 1.00 0.00 C ATOM 622 O ASP A 43 -26.770 4.129 13.539 1.00 0.00 O ATOM 623 CB ASP A 43 -29.324 3.793 11.569 1.00 0.00 C ATOM 624 CG ASP A 43 -30.116 5.086 11.395 1.00 0.00 C ATOM 625 OD1 ASP A 43 -29.641 5.990 10.682 1.00 0.00 O ATOM 626 OD2 ASP A 43 -31.248 5.130 11.919 1.00 0.00 O ATOM 0 H ASP A 43 -27.998 2.509 9.882 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.549 5.015 11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -29.686 3.057 10.851 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -29.518 3.390 12.563 1.00 0.00 H new ATOM 631 N GLY A 44 -26.976 2.065 12.667 1.00 0.00 N ATOM 632 CA GLY A 44 -26.357 1.365 13.771 1.00 0.00 C ATOM 633 C GLY A 44 -25.941 -0.035 13.380 1.00 0.00 C ATOM 634 O GLY A 44 -24.760 -0.292 13.135 1.00 0.00 O ATOM 0 H GLY A 44 -27.290 1.446 11.920 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -25.485 1.922 14.112 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -27.053 1.318 14.609 1.00 0.00 H new ATOM 638 N ASP A 45 -26.923 -0.932 13.305 1.00 0.00 N ATOM 639 CA ASP A 45 -26.686 -2.324 12.950 1.00 0.00 C ATOM 640 C ASP A 45 -27.327 -2.660 11.626 1.00 0.00 C ATOM 641 O ASP A 45 -26.629 -3.022 10.682 1.00 0.00 O ATOM 642 CB ASP A 45 -27.289 -3.257 14.011 1.00 0.00 C ATOM 643 CG ASP A 45 -26.258 -4.107 14.720 1.00 0.00 C ATOM 644 OD1 ASP A 45 -25.975 -5.205 14.193 1.00 0.00 O ATOM 645 OD2 ASP A 45 -25.779 -3.695 15.791 1.00 0.00 O ATOM 0 H ASP A 45 -27.902 -0.712 13.489 1.00 0.00 H new ATOM 0 HA ASP A 45 -25.607 -2.463 12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -27.825 -2.659 14.748 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -28.022 -3.909 13.536 1.00 0.00 H new ATOM 650 N GLY A 46 -28.677 -2.575 11.587 1.00 0.00 N ATOM 651 CA GLY A 46 -29.476 -2.828 10.405 1.00 0.00 C ATOM 652 C GLY A 46 -29.042 -1.944 9.253 1.00 0.00 C ATOM 653 O GLY A 46 -28.009 -1.296 9.285 1.00 0.00 O ATOM 0 H GLY A 46 -29.235 -2.322 12.402 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.385 -3.876 10.118 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -30.528 -2.649 10.628 1.00 0.00 H new ATOM 657 N LYS A 47 -29.841 -1.902 8.191 1.00 0.00 N ATOM 658 CA LYS A 47 -29.567 -1.026 7.066 1.00 0.00 C ATOM 659 C LYS A 47 -29.440 0.449 7.500 1.00 0.00 C ATOM 660 O LYS A 47 -29.353 0.828 8.663 1.00 0.00 O ATOM 661 CB LYS A 47 -30.616 -1.252 5.973 1.00 0.00 C ATOM 662 CG LYS A 47 -31.977 -0.656 6.373 1.00 0.00 C ATOM 663 CD LYS A 47 -32.775 -1.632 7.241 1.00 0.00 C ATOM 664 CE LYS A 47 -34.271 -1.479 6.969 1.00 0.00 C ATOM 665 NZ LYS A 47 -35.044 -2.398 7.829 1.00 0.00 N ATOM 0 H LYS A 47 -30.684 -2.467 8.090 1.00 0.00 H new ATOM 0 HA LYS A 47 -28.594 -1.278 6.645 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -30.277 -0.798 5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -30.725 -2.320 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -31.823 0.276 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -32.548 -0.412 5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -32.463 -2.655 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -32.569 -1.445 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -34.578 -0.450 7.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -34.480 -1.689 5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -36.059 -2.284 7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -34.761 -3.379 7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -34.856 -2.179 8.828 1.00 0.00 H new ATOM 679 N LEU A 48 -29.511 1.331 6.535 1.00 0.00 N ATOM 680 CA LEU A 48 -29.397 2.735 6.797 1.00 0.00 C ATOM 681 C LEU A 48 -30.760 3.414 6.685 1.00 0.00 C ATOM 682 O LEU A 48 -31.752 2.755 6.336 1.00 0.00 O ATOM 683 CB LEU A 48 -28.344 3.323 5.874 1.00 0.00 C ATOM 684 CG LEU A 48 -27.505 2.365 5.023 1.00 0.00 C ATOM 685 CD1 LEU A 48 -28.254 2.051 3.739 1.00 0.00 C ATOM 686 CD2 LEU A 48 -26.125 2.911 4.741 1.00 0.00 C ATOM 0 H LEU A 48 -29.649 1.093 5.553 1.00 0.00 H new ATOM 0 HA LEU A 48 -29.067 2.910 7.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -28.845 4.016 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -27.659 3.912 6.484 1.00 0.00 H new ATOM 0 HG LEU A 48 -27.355 1.443 5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -27.661 1.369 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -29.209 1.585 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -28.430 2.973 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -25.568 2.197 4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -26.210 3.855 4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -25.600 3.076 5.682 1.00 0.00 H new ATOM 698 N PRO A 49 -30.811 4.725 6.945 1.00 0.00 N ATOM 699 CA PRO A 49 -32.036 5.482 6.839 1.00 0.00 C ATOM 700 C PRO A 49 -32.438 5.703 5.384 1.00 0.00 C ATOM 701 O PRO A 49 -31.779 5.272 4.419 1.00 0.00 O ATOM 702 CB PRO A 49 -31.782 6.789 7.591 1.00 0.00 C ATOM 703 CG PRO A 49 -30.257 6.935 7.669 1.00 0.00 C ATOM 704 CD PRO A 49 -29.682 5.577 7.312 1.00 0.00 C ATOM 0 HA PRO A 49 -32.880 4.948 7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -32.230 7.634 7.069 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -32.224 6.760 8.587 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -29.904 7.701 6.979 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -29.946 7.239 8.668 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -28.976 5.661 6.486 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -29.136 5.154 8.156 1.00 0.00 H new ATOM 712 N LYS A 50 -33.590 6.354 5.194 1.00 0.00 N ATOM 713 CA LYS A 50 -34.086 6.684 3.879 1.00 0.00 C ATOM 714 C LYS A 50 -33.446 7.979 3.394 1.00 0.00 C ATOM 715 O LYS A 50 -33.898 9.056 3.758 1.00 0.00 O ATOM 716 CB LYS A 50 -35.613 6.709 3.890 1.00 0.00 C ATOM 717 CG LYS A 50 -36.168 7.298 2.582 1.00 0.00 C ATOM 718 CD LYS A 50 -37.193 6.359 1.945 1.00 0.00 C ATOM 719 CE LYS A 50 -37.966 7.082 0.838 1.00 0.00 C ATOM 720 NZ LYS A 50 -38.972 7.997 1.420 1.00 0.00 N ATOM 0 H LYS A 50 -34.195 6.661 5.955 1.00 0.00 H new ATOM 0 HA LYS A 50 -33.802 5.917 3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -35.995 5.697 4.028 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -35.964 7.300 4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -36.631 8.264 2.783 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -35.350 7.475 1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -36.688 5.485 1.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -37.886 5.998 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -37.274 7.644 0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -38.458 6.353 0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -39.639 8.296 0.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -39.491 7.507 2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -38.494 8.833 1.814 1.00 0.00 H new ATOM 734 N GLY A 51 -32.456 7.855 2.513 1.00 0.00 N ATOM 735 CA GLY A 51 -31.760 9.004 1.952 1.00 0.00 C ATOM 736 C GLY A 51 -30.290 8.986 2.318 1.00 0.00 C ATOM 737 O GLY A 51 -29.821 9.839 3.058 1.00 0.00 O ATOM 0 H GLY A 51 -32.116 6.956 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -31.867 9.004 0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -32.217 9.924 2.317 1.00 0.00 H new ATOM 741 N ARG A 52 -29.569 7.984 1.820 1.00 0.00 N ATOM 742 CA ARG A 52 -28.139 7.840 2.056 1.00 0.00 C ATOM 743 C ARG A 52 -27.487 7.081 0.925 1.00 0.00 C ATOM 744 O ARG A 52 -28.197 6.479 0.113 1.00 0.00 O ATOM 745 CB ARG A 52 -27.908 7.171 3.427 1.00 0.00 C ATOM 746 CG ARG A 52 -27.734 5.653 3.308 1.00 0.00 C ATOM 747 CD ARG A 52 -28.955 4.978 2.663 1.00 0.00 C ATOM 748 NE ARG A 52 -28.603 4.226 1.448 1.00 0.00 N ATOM 749 CZ ARG A 52 -29.277 3.254 0.888 1.00 0.00 C ATOM 750 NH1 ARG A 52 -30.382 2.838 1.438 1.00 0.00 N ATOM 751 NH2 ARG A 52 -28.841 2.679 -0.198 1.00 0.00 N ATOM 0 H ARG A 52 -29.965 7.246 1.238 1.00 0.00 H new ATOM 0 HA ARG A 52 -27.669 8.823 2.082 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -27.022 7.601 3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -28.752 7.388 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -26.846 5.436 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -27.568 5.229 4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -29.417 4.303 3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -29.698 5.736 2.415 1.00 0.00 H new ATOM 0 HE ARG A 52 -27.732 4.494 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -30.717 3.269 2.300 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -30.913 2.081 1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -27.965 2.986 -0.621 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -29.376 1.922 -0.625 1.00 0.00 H new ATOM 765 N THR A 53 -26.170 6.947 0.981 1.00 0.00 N ATOM 766 CA THR A 53 -25.430 6.134 0.039 1.00 0.00 C ATOM 767 C THR A 53 -24.116 5.631 0.634 1.00 0.00 C ATOM 768 O THR A 53 -23.197 6.413 0.780 1.00 0.00 O ATOM 769 CB THR A 53 -25.251 6.939 -1.238 1.00 0.00 C ATOM 770 OG1 THR A 53 -26.477 6.885 -1.933 1.00 0.00 O ATOM 771 CG2 THR A 53 -24.263 6.341 -2.209 1.00 0.00 C ATOM 0 H THR A 53 -25.587 7.402 1.684 1.00 0.00 H new ATOM 0 HA THR A 53 -25.986 5.227 -0.199 1.00 0.00 H new ATOM 0 HB THR A 53 -24.910 7.929 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 -27.187 6.595 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 53 -24.193 6.975 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 53 -23.284 6.270 -1.735 1.00 0.00 H new ATOM 0 HG23 THR A 53 -24.597 5.346 -2.502 1.00 0.00 H new ATOM 779 N PRO A 54 -24.040 4.331 0.964 1.00 0.00 N ATOM 780 CA PRO A 54 -22.829 3.749 1.512 1.00 0.00 C ATOM 781 C PRO A 54 -21.730 3.637 0.462 1.00 0.00 C ATOM 782 O PRO A 54 -21.942 3.861 -0.738 1.00 0.00 O ATOM 783 CB PRO A 54 -23.244 2.385 2.066 1.00 0.00 C ATOM 784 CG PRO A 54 -24.571 2.038 1.377 1.00 0.00 C ATOM 785 CD PRO A 54 -25.064 3.322 0.732 1.00 0.00 C ATOM 0 HA PRO A 54 -22.401 4.376 2.295 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -22.486 1.631 1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -23.364 2.423 3.149 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -24.429 1.257 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -25.297 1.661 2.098 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -25.230 3.179 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -26.016 3.631 1.164 1.00 0.00 H new ATOM 793 N ILE A 55 -20.544 3.222 0.897 1.00 0.00 N ATOM 794 CA ILE A 55 -19.399 3.074 0.028 1.00 0.00 C ATOM 795 C ILE A 55 -19.325 1.630 -0.427 1.00 0.00 C ATOM 796 O ILE A 55 -19.465 0.699 0.368 1.00 0.00 O ATOM 797 CB ILE A 55 -18.123 3.542 0.742 1.00 0.00 C ATOM 798 CG1 ILE A 55 -18.341 4.937 1.364 1.00 0.00 C ATOM 799 CG2 ILE A 55 -16.972 3.565 -0.263 1.00 0.00 C ATOM 800 CD1 ILE A 55 -17.026 5.625 1.701 1.00 0.00 C ATOM 0 H ILE A 55 -20.357 2.979 1.870 1.00 0.00 H new ATOM 0 HA ILE A 55 -19.500 3.703 -0.856 1.00 0.00 H new ATOM 0 HB ILE A 55 -17.877 2.852 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -18.907 5.558 0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -18.941 4.840 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -16.061 3.896 0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -16.821 2.564 -0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.212 4.251 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -17.228 6.604 2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -16.470 5.018 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -16.436 5.747 0.793 1.00 0.00 H new ATOM 812 N LYS A 56 -19.129 1.432 -1.731 1.00 0.00 N ATOM 813 CA LYS A 56 -19.000 0.108 -2.301 1.00 0.00 C ATOM 814 C LYS A 56 -17.534 -0.199 -2.526 1.00 0.00 C ATOM 815 O LYS A 56 -16.808 0.593 -3.124 1.00 0.00 O ATOM 816 CB LYS A 56 -19.868 0.022 -3.563 1.00 0.00 C ATOM 817 CG LYS A 56 -19.629 -1.302 -4.303 1.00 0.00 C ATOM 818 CD LYS A 56 -18.444 -1.177 -5.278 1.00 0.00 C ATOM 819 CE LYS A 56 -18.866 -1.559 -6.695 1.00 0.00 C ATOM 820 NZ LYS A 56 -17.685 -1.638 -7.576 1.00 0.00 N ATOM 0 H LYS A 56 -19.057 2.188 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.367 -0.662 -1.623 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -20.920 0.107 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -19.640 0.859 -4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -19.431 -2.096 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.528 -1.585 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.066 -0.155 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.628 -1.821 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -19.383 -2.518 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.570 -0.823 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.986 -1.899 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.208 -0.714 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.028 -2.357 -7.212 1.00 0.00 H new ATOM 834 N PHE A 57 -17.132 -1.418 -2.177 1.00 0.00 N ATOM 835 CA PHE A 57 -15.758 -1.869 -2.312 1.00 0.00 C ATOM 836 C PHE A 57 -15.702 -3.099 -3.193 1.00 0.00 C ATOM 837 O PHE A 57 -14.998 -3.123 -4.197 1.00 0.00 O ATOM 838 CB PHE A 57 -15.205 -2.185 -0.917 1.00 0.00 C ATOM 839 CG PHE A 57 -15.567 -1.176 0.141 1.00 0.00 C ATOM 840 CD1 PHE A 57 -14.742 -0.064 0.351 1.00 0.00 C ATOM 841 CD2 PHE A 57 -16.735 -1.335 0.912 1.00 0.00 C ATOM 842 CE1 PHE A 57 -15.068 0.895 1.330 1.00 0.00 C ATOM 843 CE2 PHE A 57 -17.059 -0.381 1.894 1.00 0.00 C ATOM 844 CZ PHE A 57 -16.229 0.734 2.106 1.00 0.00 C ATOM 0 H PHE A 57 -17.759 -2.123 -1.790 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.154 -1.089 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -15.571 -3.164 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -14.119 -2.255 -0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.848 0.059 -0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.380 -2.186 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.428 1.751 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.952 -0.506 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.482 1.463 2.861 1.00 0.00 H new ATOM 854 N GLY A 58 -16.504 -4.105 -2.843 1.00 0.00 N ATOM 855 CA GLY A 58 -16.537 -5.383 -3.529 1.00 0.00 C ATOM 856 C GLY A 58 -16.342 -6.553 -2.578 1.00 0.00 C ATOM 857 O GLY A 58 -16.428 -7.710 -2.980 1.00 0.00 O ATOM 0 H GLY A 58 -17.157 -4.047 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.491 -5.492 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.759 -5.404 -4.292 1.00 0.00 H new ATOM 861 N LYS A 59 -16.042 -6.271 -1.307 1.00 0.00 N ATOM 862 CA LYS A 59 -15.859 -7.297 -0.303 1.00 0.00 C ATOM 863 C LYS A 59 -17.168 -7.557 0.381 1.00 0.00 C ATOM 864 O LYS A 59 -17.772 -6.609 0.838 1.00 0.00 O ATOM 865 CB LYS A 59 -14.747 -6.875 0.662 1.00 0.00 C ATOM 866 CG LYS A 59 -13.383 -7.035 -0.034 1.00 0.00 C ATOM 867 CD LYS A 59 -12.631 -8.275 0.479 1.00 0.00 C ATOM 868 CE LYS A 59 -12.750 -9.440 -0.511 1.00 0.00 C ATOM 869 NZ LYS A 59 -13.784 -10.400 -0.072 1.00 0.00 N ATOM 0 H LYS A 59 -15.921 -5.321 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.543 -8.236 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.891 -5.840 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.782 -7.485 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.530 -7.117 -1.111 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.779 -6.144 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.580 -8.030 0.632 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.033 -8.574 1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.000 -9.058 -1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.790 -9.948 -0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.089 -10.976 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.392 -11.020 0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.600 -9.881 0.310 1.00 0.00 H new ATOM 883 N SER A 60 -17.537 -8.830 0.504 1.00 0.00 N ATOM 884 CA SER A 60 -18.751 -9.223 1.203 1.00 0.00 C ATOM 885 C SER A 60 -18.657 -8.930 2.694 1.00 0.00 C ATOM 886 O SER A 60 -19.629 -9.076 3.416 1.00 0.00 O ATOM 887 CB SER A 60 -19.051 -10.707 0.979 1.00 0.00 C ATOM 888 OG SER A 60 -18.073 -11.526 1.607 1.00 0.00 O ATOM 0 H SER A 60 -17.004 -9.612 0.123 1.00 0.00 H new ATOM 0 HA SER A 60 -19.568 -8.631 0.791 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.038 -10.946 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 60 -19.076 -10.919 -0.090 1.00 0.00 H new ATOM 0 HG SER A 60 -18.287 -12.469 1.451 1.00 0.00 H new ATOM 894 N ASP A 61 -17.478 -8.521 3.178 1.00 0.00 N ATOM 895 CA ASP A 61 -17.235 -8.193 4.557 1.00 0.00 C ATOM 896 C ASP A 61 -17.522 -6.722 4.789 1.00 0.00 C ATOM 897 O ASP A 61 -18.347 -6.392 5.634 1.00 0.00 O ATOM 898 CB ASP A 61 -15.776 -8.451 4.941 1.00 0.00 C ATOM 899 CG ASP A 61 -15.215 -9.775 4.436 1.00 0.00 C ATOM 900 OD1 ASP A 61 -15.781 -10.814 4.845 1.00 0.00 O ATOM 901 OD2 ASP A 61 -14.311 -9.721 3.564 1.00 0.00 O ATOM 0 H ASP A 61 -16.652 -8.411 2.589 1.00 0.00 H new ATOM 0 HA ASP A 61 -17.887 -8.821 5.165 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.162 -7.639 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.689 -8.425 6.027 1.00 0.00 H new ATOM 906 N CYS A 62 -16.842 -5.851 4.028 1.00 0.00 N ATOM 907 CA CYS A 62 -17.063 -4.423 4.115 1.00 0.00 C ATOM 908 C CYS A 62 -18.433 -4.063 3.552 1.00 0.00 C ATOM 909 O CYS A 62 -18.944 -2.986 3.835 1.00 0.00 O ATOM 910 CB CYS A 62 -15.967 -3.662 3.365 1.00 0.00 C ATOM 911 SG CYS A 62 -14.297 -3.967 3.919 1.00 0.00 S ATOM 0 H CYS A 62 -16.134 -6.125 3.347 1.00 0.00 H new ATOM 0 HA CYS A 62 -17.029 -4.134 5.165 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -16.032 -3.917 2.307 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -16.169 -2.594 3.449 1.00 0.00 H new ATOM 916 N ASP A 63 -18.999 -4.951 2.729 1.00 0.00 N ATOM 917 CA ASP A 63 -20.326 -4.786 2.171 1.00 0.00 C ATOM 918 C ASP A 63 -21.386 -5.145 3.195 1.00 0.00 C ATOM 919 O ASP A 63 -22.392 -4.443 3.336 1.00 0.00 O ATOM 920 CB ASP A 63 -20.502 -5.692 0.949 1.00 0.00 C ATOM 921 CG ASP A 63 -21.931 -5.746 0.417 1.00 0.00 C ATOM 922 OD1 ASP A 63 -22.540 -4.663 0.285 1.00 0.00 O ATOM 923 OD2 ASP A 63 -22.344 -6.874 0.071 1.00 0.00 O ATOM 0 H ASP A 63 -18.536 -5.811 2.434 1.00 0.00 H new ATOM 0 HA ASP A 63 -20.439 -3.742 1.880 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -19.842 -5.345 0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -20.184 -6.702 1.209 1.00 0.00 H new ATOM 928 N ARG A 64 -21.145 -6.239 3.942 1.00 0.00 N ATOM 929 CA ARG A 64 -22.077 -6.676 4.953 1.00 0.00 C ATOM 930 C ARG A 64 -22.455 -5.517 5.884 1.00 0.00 C ATOM 931 O ARG A 64 -21.664 -4.600 6.127 1.00 0.00 O ATOM 932 CB ARG A 64 -21.515 -7.876 5.725 1.00 0.00 C ATOM 933 CG ARG A 64 -21.184 -7.563 7.186 1.00 0.00 C ATOM 934 CD ARG A 64 -20.697 -8.761 7.955 1.00 0.00 C ATOM 935 NE ARG A 64 -19.778 -9.575 7.173 1.00 0.00 N ATOM 936 CZ ARG A 64 -19.624 -10.872 7.270 1.00 0.00 C ATOM 937 NH1 ARG A 64 -20.256 -11.536 8.204 1.00 0.00 N ATOM 938 NH2 ARG A 64 -18.826 -11.502 6.462 1.00 0.00 N ATOM 0 H ARG A 64 -20.313 -6.822 3.852 1.00 0.00 H new ATOM 0 HA ARG A 64 -22.993 -7.006 4.463 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -22.239 -8.690 5.691 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -20.614 -8.230 5.225 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -20.423 -6.784 7.220 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -22.072 -7.162 7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.201 -8.429 8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -21.550 -9.368 8.259 1.00 0.00 H new ATOM 0 HE ARG A 64 -19.201 -9.090 6.486 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.867 -11.043 8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.137 -12.546 8.281 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -18.314 -10.987 5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -18.711 -12.512 6.543 1.00 0.00 H new ATOM 952 N PRO A 65 -23.590 -5.670 6.573 1.00 0.00 N ATOM 953 CA PRO A 65 -23.993 -4.723 7.579 1.00 0.00 C ATOM 954 C PRO A 65 -23.157 -4.777 8.869 1.00 0.00 C ATOM 955 O PRO A 65 -22.818 -5.856 9.373 1.00 0.00 O ATOM 956 CB PRO A 65 -25.464 -4.986 7.833 1.00 0.00 C ATOM 957 CG PRO A 65 -25.710 -6.419 7.334 1.00 0.00 C ATOM 958 CD PRO A 65 -24.494 -6.809 6.505 1.00 0.00 C ATOM 0 HA PRO A 65 -23.821 -3.709 7.219 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -25.704 -4.891 8.892 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -26.090 -4.271 7.299 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -25.842 -7.103 8.172 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -26.619 -6.469 6.735 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -24.022 -7.708 6.901 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -24.775 -7.025 5.474 1.00 0.00 H new ATOM 966 N PRO A 66 -22.781 -3.615 9.423 1.00 0.00 N ATOM 967 CA PRO A 66 -22.014 -3.543 10.645 1.00 0.00 C ATOM 968 C PRO A 66 -22.861 -3.917 11.849 1.00 0.00 C ATOM 969 O PRO A 66 -24.068 -4.090 11.766 1.00 0.00 O ATOM 970 CB PRO A 66 -21.494 -2.110 10.715 1.00 0.00 C ATOM 971 CG PRO A 66 -22.369 -1.282 9.772 1.00 0.00 C ATOM 972 CD PRO A 66 -23.143 -2.294 8.942 1.00 0.00 C ATOM 0 HA PRO A 66 -21.187 -4.254 10.653 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.551 -1.726 11.734 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.447 -2.062 10.415 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.044 -0.634 10.331 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.761 -0.637 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -24.216 -2.130 9.040 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.900 -2.190 7.885 1.00 0.00 H new ATOM 980 N LYS A 67 -22.192 -4.080 12.991 1.00 0.00 N ATOM 981 CA LYS A 67 -22.868 -4.405 14.228 1.00 0.00 C ATOM 982 C LYS A 67 -22.453 -3.461 15.321 1.00 0.00 C ATOM 983 O LYS A 67 -21.853 -3.909 16.259 1.00 0.00 O ATOM 984 CB LYS A 67 -22.710 -5.899 14.540 1.00 0.00 C ATOM 985 CG LYS A 67 -23.278 -6.269 15.929 1.00 0.00 C ATOM 986 CD LYS A 67 -24.371 -7.319 15.839 1.00 0.00 C ATOM 987 CE LYS A 67 -24.505 -8.071 17.155 1.00 0.00 C ATOM 988 NZ LYS A 67 -24.594 -9.519 16.890 1.00 0.00 N ATOM 0 H LYS A 67 -21.179 -3.990 13.075 1.00 0.00 H new ATOM 0 HA LYS A 67 -23.943 -4.252 14.132 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -23.219 -6.484 13.774 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -21.654 -6.168 14.498 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -22.472 -6.639 16.563 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -23.675 -5.374 16.408 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -25.319 -6.843 15.588 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -24.144 -8.020 15.036 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -23.648 -7.860 17.795 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -25.393 -7.734 17.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -24.686 -10.032 17.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -25.425 -9.713 16.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -23.734 -9.835 16.397 1.00 0.00 H new ATOM 1002 N HIS A 68 -22.549 -2.155 15.125 1.00 0.00 N ATOM 1003 CA HIS A 68 -22.151 -1.218 16.169 1.00 0.00 C ATOM 1004 C HIS A 68 -23.211 -1.132 17.261 1.00 0.00 C ATOM 1005 O HIS A 68 -24.373 -1.443 17.052 1.00 0.00 O ATOM 1006 CB HIS A 68 -21.867 0.124 15.509 1.00 0.00 C ATOM 1007 CG HIS A 68 -21.517 1.241 16.458 1.00 0.00 C ATOM 1008 ND1 HIS A 68 -22.445 2.094 16.999 1.00 0.00 N ATOM 1009 CD2 HIS A 68 -20.279 1.585 16.935 1.00 0.00 C ATOM 1010 CE1 HIS A 68 -21.774 2.966 17.778 1.00 0.00 C ATOM 1011 NE2 HIS A 68 -20.459 2.667 17.780 1.00 0.00 N ATOM 0 H HIS A 68 -22.893 -1.723 14.268 1.00 0.00 H new ATOM 0 HA HIS A 68 -21.246 -1.560 16.671 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -21.047 -0.002 14.803 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -22.743 0.420 14.931 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -19.342 1.104 16.697 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -22.224 3.784 18.321 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -19.731 3.149 18.307 1.00 0.00 H new ATOM 1020 N SER A 69 -22.850 -0.550 18.396 1.00 0.00 N ATOM 1021 CA SER A 69 -23.763 -0.342 19.501 1.00 0.00 C ATOM 1022 C SER A 69 -23.281 0.781 20.399 1.00 0.00 C ATOM 1023 O SER A 69 -22.441 1.594 20.027 1.00 0.00 O ATOM 1024 CB SER A 69 -23.893 -1.648 20.287 1.00 0.00 C ATOM 1025 OG SER A 69 -25.243 -2.062 20.343 1.00 0.00 O ATOM 0 H SER A 69 -21.906 -0.207 18.573 1.00 0.00 H new ATOM 0 HA SER A 69 -24.739 -0.052 19.113 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.288 -2.424 19.817 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.507 -1.511 21.297 1.00 0.00 H new ATOM 0 HG SER A 69 -25.308 -2.900 20.848 1.00 0.00 H new ATOM 1031 N LYS A 70 -23.834 0.896 21.597 1.00 0.00 N ATOM 1032 CA LYS A 70 -23.405 1.883 22.562 1.00 0.00 C ATOM 1033 C LYS A 70 -22.210 1.384 23.374 1.00 0.00 C ATOM 1034 O LYS A 70 -22.362 0.998 24.526 1.00 0.00 O ATOM 1035 CB LYS A 70 -24.611 2.272 23.418 1.00 0.00 C ATOM 1036 CG LYS A 70 -24.907 3.769 23.264 1.00 0.00 C ATOM 1037 CD LYS A 70 -25.309 4.384 24.610 1.00 0.00 C ATOM 1038 CE LYS A 70 -26.642 5.123 24.487 1.00 0.00 C ATOM 1039 NZ LYS A 70 -27.151 5.487 25.825 1.00 0.00 N ATOM 0 H LYS A 70 -24.596 0.302 21.924 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.044 2.780 22.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -25.482 1.689 23.119 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -24.414 2.038 24.464 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -24.027 4.280 22.873 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -25.708 3.914 22.539 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -25.389 3.601 25.364 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.535 5.073 24.947 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -26.513 6.021 23.883 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -27.368 4.494 23.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -28.057 5.988 25.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -27.292 4.625 26.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -26.463 6.104 26.302 1.00 0.00 H new ATOM 1053 N ASP A 71 -21.043 1.378 22.750 1.00 0.00 N ATOM 1054 CA ASP A 71 -19.799 0.951 23.382 1.00 0.00 C ATOM 1055 C ASP A 71 -18.640 1.126 22.413 1.00 0.00 C ATOM 1056 O ASP A 71 -17.599 1.660 22.769 1.00 0.00 O ATOM 1057 CB ASP A 71 -19.911 -0.523 23.802 1.00 0.00 C ATOM 1058 CG ASP A 71 -18.566 -1.241 23.905 1.00 0.00 C ATOM 1059 OD1 ASP A 71 -17.628 -0.683 24.506 1.00 0.00 O ATOM 1060 OD2 ASP A 71 -18.512 -2.352 23.353 1.00 0.00 O ATOM 0 H ASP A 71 -20.929 1.672 21.780 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.618 1.563 24.266 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -20.416 -0.579 24.766 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -20.539 -1.049 23.083 1.00 0.00 H new ATOM 1065 N GLY A 72 -18.863 0.697 21.171 1.00 0.00 N ATOM 1066 CA GLY A 72 -17.847 0.731 20.154 1.00 0.00 C ATOM 1067 C GLY A 72 -17.599 -0.626 19.577 1.00 0.00 C ATOM 1068 O GLY A 72 -17.713 -0.778 18.379 1.00 0.00 O ATOM 0 H GLY A 72 -19.756 0.319 20.855 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.149 1.415 19.360 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.921 1.122 20.577 1.00 0.00 H new ATOM 1072 N ASN A 73 -17.372 -1.632 20.402 1.00 0.00 N ATOM 1073 CA ASN A 73 -17.162 -2.980 19.949 1.00 0.00 C ATOM 1074 C ASN A 73 -17.629 -3.918 21.042 1.00 0.00 C ATOM 1075 O ASN A 73 -16.799 -4.352 21.837 1.00 0.00 O ATOM 1076 CB ASN A 73 -15.672 -3.182 19.665 1.00 0.00 C ATOM 1077 CG ASN A 73 -15.344 -4.644 19.569 1.00 0.00 C ATOM 1078 OD1 ASN A 73 -16.061 -5.422 18.953 1.00 0.00 O ATOM 1079 ND2 ASN A 73 -14.259 -5.016 20.218 1.00 0.00 N ATOM 0 H ASN A 73 -17.329 -1.527 21.416 1.00 0.00 H new ATOM 0 HA ASN A 73 -17.720 -3.180 19.034 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.403 -2.682 18.735 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -15.080 -2.723 20.457 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.979 -5.997 20.224 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.699 -4.323 20.715 1.00 0.00 H new ATOM 1086 N GLY A 74 -18.934 -4.192 21.094 1.00 0.00 N ATOM 1087 CA GLY A 74 -19.499 -5.078 22.096 1.00 0.00 C ATOM 1088 C GLY A 74 -18.956 -6.489 21.959 1.00 0.00 C ATOM 1089 O GLY A 74 -17.793 -6.782 22.194 1.00 0.00 O ATOM 0 H GLY A 74 -19.619 -3.806 20.445 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -19.273 -4.695 23.091 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -20.585 -5.094 21.999 1.00 0.00 H new ATOM 1093 N LYS A 75 -19.827 -7.447 21.643 1.00 0.00 N ATOM 1094 CA LYS A 75 -19.402 -8.824 21.447 1.00 0.00 C ATOM 1095 C LYS A 75 -18.387 -8.919 20.300 1.00 0.00 C ATOM 1096 O LYS A 75 -17.188 -8.748 20.449 1.00 0.00 O ATOM 1097 CB LYS A 75 -20.645 -9.706 21.252 1.00 0.00 C ATOM 1098 CG LYS A 75 -21.189 -10.182 22.604 1.00 0.00 C ATOM 1099 CD LYS A 75 -21.510 -11.680 22.544 1.00 0.00 C ATOM 1100 CE LYS A 75 -21.984 -12.179 23.912 1.00 0.00 C ATOM 1101 NZ LYS A 75 -23.456 -12.103 24.012 1.00 0.00 N ATOM 0 H LYS A 75 -20.827 -7.291 21.519 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.878 -9.194 22.328 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -21.415 -9.146 20.721 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -20.393 -10.567 20.632 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.456 -9.990 23.388 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.086 -9.620 22.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -22.281 -11.864 21.796 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.625 -12.236 22.233 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -21.656 -13.208 24.063 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -21.529 -11.580 24.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.759 -12.445 24.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -23.762 -11.117 23.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -23.885 -12.693 23.271 1.00 0.00 H new ATOM 1115 N THR A 76 -18.875 -9.289 19.126 1.00 0.00 N ATOM 1116 CA THR A 76 -18.041 -9.417 17.950 1.00 0.00 C ATOM 1117 C THR A 76 -18.339 -8.318 16.958 1.00 0.00 C ATOM 1118 O THR A 76 -18.075 -8.482 15.769 1.00 0.00 O ATOM 1119 CB THR A 76 -18.166 -10.833 17.382 1.00 0.00 C ATOM 1120 OG1 THR A 76 -16.861 -11.249 17.054 1.00 0.00 O ATOM 1121 CG2 THR A 76 -19.040 -10.962 16.129 1.00 0.00 C ATOM 0 H THR A 76 -19.858 -9.508 18.966 1.00 0.00 H new ATOM 0 HA THR A 76 -16.992 -9.283 18.214 1.00 0.00 H new ATOM 0 HB THR A 76 -18.656 -11.443 18.141 1.00 0.00 H new ATOM 0 HG1 THR A 76 -16.890 -12.157 16.685 1.00 0.00 H new ATOM 0 HG21 THR A 76 -19.063 -12.003 15.807 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.053 -10.630 16.356 1.00 0.00 H new ATOM 0 HG23 THR A 76 -18.626 -10.345 15.332 1.00 0.00 H new ATOM 1129 N ASP A 77 -19.018 -7.260 17.399 1.00 0.00 N ATOM 1130 CA ASP A 77 -19.424 -6.142 16.581 1.00 0.00 C ATOM 1131 C ASP A 77 -18.462 -5.933 15.445 1.00 0.00 C ATOM 1132 O ASP A 77 -17.359 -5.508 15.669 1.00 0.00 O ATOM 1133 CB ASP A 77 -19.459 -4.846 17.389 1.00 0.00 C ATOM 1134 CG ASP A 77 -20.532 -4.821 18.484 1.00 0.00 C ATOM 1135 OD1 ASP A 77 -20.959 -5.928 18.917 1.00 0.00 O ATOM 1136 OD2 ASP A 77 -20.899 -3.700 18.905 1.00 0.00 O ATOM 0 H ASP A 77 -19.306 -7.164 18.373 1.00 0.00 H new ATOM 0 HA ASP A 77 -20.419 -6.378 16.204 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -18.483 -4.690 17.848 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -19.629 -4.011 16.709 1.00 0.00 H new ATOM 1141 N HIS A 78 -18.816 -6.332 14.228 1.00 0.00 N ATOM 1142 CA HIS A 78 -17.936 -6.236 13.078 1.00 0.00 C ATOM 1143 C HIS A 78 -18.048 -4.865 12.447 1.00 0.00 C ATOM 1144 O HIS A 78 -17.711 -4.685 11.283 1.00 0.00 O ATOM 1145 CB HIS A 78 -18.216 -7.376 12.089 1.00 0.00 C ATOM 1146 CG HIS A 78 -19.676 -7.720 11.944 1.00 0.00 C ATOM 1147 ND1 HIS A 78 -20.452 -7.351 10.878 1.00 0.00 N ATOM 1148 CD2 HIS A 78 -20.455 -8.411 12.838 1.00 0.00 C ATOM 1149 CE1 HIS A 78 -21.681 -7.862 11.082 1.00 0.00 C ATOM 1150 NE2 HIS A 78 -21.715 -8.495 12.268 1.00 0.00 N ATOM 0 H HIS A 78 -19.729 -6.733 14.015 1.00 0.00 H new ATOM 0 HA HIS A 78 -16.901 -6.352 13.400 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -17.820 -7.100 11.112 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -17.675 -8.265 12.413 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -20.148 -8.809 13.794 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -22.512 -7.777 10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -22.527 -8.957 12.677 1.00 0.00 H new ATOM 1159 N TYR A 79 -18.655 -3.931 13.173 1.00 0.00 N ATOM 1160 CA TYR A 79 -18.738 -2.551 12.823 1.00 0.00 C ATOM 1161 C TYR A 79 -17.491 -2.017 12.124 1.00 0.00 C ATOM 1162 O TYR A 79 -16.365 -2.336 12.496 1.00 0.00 O ATOM 1163 CB TYR A 79 -19.049 -1.755 14.075 1.00 0.00 C ATOM 1164 CG TYR A 79 -17.855 -1.491 14.958 1.00 0.00 C ATOM 1165 CD1 TYR A 79 -16.987 -2.523 15.337 1.00 0.00 C ATOM 1166 CD2 TYR A 79 -17.546 -0.201 15.371 1.00 0.00 C ATOM 1167 CE1 TYR A 79 -15.865 -2.320 16.137 1.00 0.00 C ATOM 1168 CE2 TYR A 79 -16.435 0.018 16.179 1.00 0.00 C ATOM 1169 CZ TYR A 79 -15.608 -1.037 16.605 1.00 0.00 C ATOM 1170 OH TYR A 79 -14.514 -0.839 17.360 1.00 0.00 O ATOM 0 H TYR A 79 -19.117 -4.144 14.057 1.00 0.00 H new ATOM 0 HA TYR A 79 -19.538 -2.440 12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -19.489 -0.801 13.784 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -19.802 -2.290 14.653 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -17.198 -3.525 14.992 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -18.166 0.629 15.066 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -15.210 -3.141 16.388 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -16.201 1.026 16.488 1.00 0.00 H new ATOM 0 HH TYR A 79 -13.726 -0.771 16.782 1.00 0.00 H new ATOM 1180 N LEU A 80 -17.695 -1.307 11.022 1.00 0.00 N ATOM 1181 CA LEU A 80 -16.566 -0.750 10.302 1.00 0.00 C ATOM 1182 C LEU A 80 -16.023 0.426 11.073 1.00 0.00 C ATOM 1183 O LEU A 80 -16.775 1.023 11.823 1.00 0.00 O ATOM 1184 CB LEU A 80 -17.023 -0.364 8.896 1.00 0.00 C ATOM 1185 CG LEU A 80 -16.648 -1.429 7.866 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -17.715 -1.549 6.785 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -15.323 -1.086 7.222 1.00 0.00 C ATOM 0 H LEU A 80 -18.610 -1.108 10.617 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.761 -1.478 10.204 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -18.103 -0.219 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -16.572 0.588 8.616 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.569 -2.383 8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -17.421 -2.314 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -18.665 -1.826 7.241 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.823 -0.593 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -15.065 -1.851 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -15.400 -0.119 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.548 -1.040 7.987 1.00 0.00 H new ATOM 1199 N LEU A 81 -14.753 0.762 10.899 1.00 0.00 N ATOM 1200 CA LEU A 81 -14.119 1.887 11.549 1.00 0.00 C ATOM 1201 C LEU A 81 -13.153 2.549 10.592 1.00 0.00 C ATOM 1202 O LEU A 81 -12.506 1.881 9.786 1.00 0.00 O ATOM 1203 CB LEU A 81 -13.401 1.418 12.825 1.00 0.00 C ATOM 1204 CG LEU A 81 -14.344 0.877 13.908 1.00 0.00 C ATOM 1205 CD1 LEU A 81 -14.075 -0.604 14.122 1.00 0.00 C ATOM 1206 CD2 LEU A 81 -14.227 1.691 15.189 1.00 0.00 C ATOM 0 H LEU A 81 -14.124 0.244 10.286 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.875 2.618 11.835 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.683 0.641 12.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -12.832 2.251 13.237 1.00 0.00 H new ATOM 0 HG LEU A 81 -15.378 0.980 13.579 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -14.745 -0.988 14.891 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -14.246 -1.143 13.190 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -13.041 -0.744 14.438 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -14.906 1.287 15.940 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.203 1.640 15.560 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.488 2.729 14.985 1.00 0.00 H new ATOM 1218 N GLU A 82 -13.067 3.869 10.657 1.00 0.00 N ATOM 1219 CA GLU A 82 -12.190 4.649 9.826 1.00 0.00 C ATOM 1220 C GLU A 82 -11.037 5.223 10.630 1.00 0.00 C ATOM 1221 O GLU A 82 -11.124 5.439 11.846 1.00 0.00 O ATOM 1222 CB GLU A 82 -12.974 5.754 9.101 1.00 0.00 C ATOM 1223 CG GLU A 82 -13.411 6.868 9.991 1.00 0.00 C ATOM 1224 CD GLU A 82 -14.672 6.432 10.724 1.00 0.00 C ATOM 1225 OE1 GLU A 82 -14.509 5.856 11.798 1.00 0.00 O ATOM 1226 OE2 GLU A 82 -15.752 6.880 10.315 1.00 0.00 O ATOM 0 H GLU A 82 -13.620 4.430 11.305 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.762 3.990 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -12.354 6.162 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -13.852 5.313 8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.624 7.115 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.604 7.767 9.406 1.00 0.00 H new ATOM 1233 N PHE A 83 -9.995 5.649 9.919 1.00 0.00 N ATOM 1234 CA PHE A 83 -8.830 6.206 10.563 1.00 0.00 C ATOM 1235 C PHE A 83 -8.122 7.230 9.690 1.00 0.00 C ATOM 1236 O PHE A 83 -7.843 6.931 8.533 1.00 0.00 O ATOM 1237 CB PHE A 83 -7.869 5.082 10.902 1.00 0.00 C ATOM 1238 CG PHE A 83 -6.771 5.462 11.837 1.00 0.00 C ATOM 1239 CD1 PHE A 83 -7.071 5.753 13.175 1.00 0.00 C ATOM 1240 CD2 PHE A 83 -5.449 5.549 11.378 1.00 0.00 C ATOM 1241 CE1 PHE A 83 -6.069 6.125 14.074 1.00 0.00 C ATOM 1242 CE2 PHE A 83 -4.451 5.903 12.289 1.00 0.00 C ATOM 1243 CZ PHE A 83 -4.753 6.166 13.622 1.00 0.00 C ATOM 0 H PHE A 83 -9.943 5.615 8.901 1.00 0.00 H new ATOM 0 HA PHE A 83 -9.160 6.720 11.466 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.434 4.260 11.341 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.428 4.708 9.978 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -8.094 5.688 13.516 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.208 5.347 10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -6.310 6.375 15.097 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -3.427 5.974 11.953 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.958 6.404 14.313 1.00 0.00 H new ATOM 1253 N PRO A 84 -7.879 8.450 10.186 1.00 0.00 N ATOM 1254 CA PRO A 84 -7.222 9.503 9.444 1.00 0.00 C ATOM 1255 C PRO A 84 -5.744 9.209 9.276 1.00 0.00 C ATOM 1256 O PRO A 84 -4.946 9.437 10.182 1.00 0.00 O ATOM 1257 CB PRO A 84 -7.490 10.799 10.200 1.00 0.00 C ATOM 1258 CG PRO A 84 -7.882 10.363 11.616 1.00 0.00 C ATOM 1259 CD PRO A 84 -8.159 8.869 11.539 1.00 0.00 C ATOM 0 HA PRO A 84 -7.611 9.584 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.606 11.437 10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.289 11.372 9.729 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.081 10.574 12.324 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.763 10.905 11.960 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.534 8.325 12.247 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.196 8.656 11.801 1.00 0.00 H new ATOM 1267 N THR A 85 -5.388 8.732 8.084 1.00 0.00 N ATOM 1268 CA THR A 85 -4.021 8.399 7.748 1.00 0.00 C ATOM 1269 C THR A 85 -3.392 9.498 6.918 1.00 0.00 C ATOM 1270 O THR A 85 -3.793 9.770 5.785 1.00 0.00 O ATOM 1271 CB THR A 85 -3.946 7.033 7.063 1.00 0.00 C ATOM 1272 OG1 THR A 85 -2.685 6.896 6.453 1.00 0.00 O ATOM 1273 CG2 THR A 85 -4.974 6.884 5.938 1.00 0.00 C ATOM 0 H THR A 85 -6.050 8.568 7.326 1.00 0.00 H new ATOM 0 HA THR A 85 -3.442 8.323 8.668 1.00 0.00 H new ATOM 0 HB THR A 85 -4.134 6.286 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.801 6.606 5.524 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.878 5.897 5.486 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.978 7.000 6.345 1.00 0.00 H new ATOM 0 HG23 THR A 85 -4.799 7.649 5.181 1.00 0.00 H new ATOM 1281 N PHE A 86 -2.382 10.154 7.469 1.00 0.00 N ATOM 1282 CA PHE A 86 -1.677 11.200 6.771 1.00 0.00 C ATOM 1283 C PHE A 86 -0.622 10.652 5.806 1.00 0.00 C ATOM 1284 O PHE A 86 -0.141 9.522 5.964 1.00 0.00 O ATOM 1285 CB PHE A 86 -1.005 12.083 7.821 1.00 0.00 C ATOM 1286 CG PHE A 86 -1.976 12.763 8.737 1.00 0.00 C ATOM 1287 CD1 PHE A 86 -2.881 13.715 8.236 1.00 0.00 C ATOM 1288 CD2 PHE A 86 -1.983 12.441 10.100 1.00 0.00 C ATOM 1289 CE1 PHE A 86 -3.790 14.347 9.098 1.00 0.00 C ATOM 1290 CE2 PHE A 86 -2.889 13.095 10.946 1.00 0.00 C ATOM 1291 CZ PHE A 86 -3.800 14.033 10.461 1.00 0.00 C ATOM 0 H PHE A 86 -2.034 9.971 8.410 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.390 11.763 6.168 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -0.323 11.474 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.402 12.839 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.877 13.961 7.184 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.301 11.701 10.493 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.483 15.077 8.708 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.881 12.867 12.002 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.503 14.510 11.128 1.00 0.00 H new ATOM 1301 N PRO A 87 -0.194 11.481 4.840 1.00 0.00 N ATOM 1302 CA PRO A 87 0.814 11.096 3.875 1.00 0.00 C ATOM 1303 C PRO A 87 2.200 11.113 4.440 1.00 0.00 C ATOM 1304 O PRO A 87 2.927 10.138 4.216 1.00 0.00 O ATOM 1305 CB PRO A 87 0.728 12.101 2.745 1.00 0.00 C ATOM 1306 CG PRO A 87 -0.046 13.303 3.292 1.00 0.00 C ATOM 1307 CD PRO A 87 -0.658 12.846 4.610 1.00 0.00 C ATOM 0 HA PRO A 87 0.626 10.072 3.551 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.723 12.398 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.219 11.672 1.882 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.615 14.156 3.444 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -0.819 13.620 2.592 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.352 13.501 5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.746 12.882 4.564 1.00 0.00 H new ATOM 1315 N ASP A 88 2.518 12.148 5.245 1.00 0.00 N ATOM 1316 CA ASP A 88 3.812 12.294 5.914 1.00 0.00 C ATOM 1317 C ASP A 88 4.231 10.966 6.536 1.00 0.00 C ATOM 1318 O ASP A 88 5.403 10.612 6.615 1.00 0.00 O ATOM 1319 CB ASP A 88 3.712 13.322 7.045 1.00 0.00 C ATOM 1320 CG ASP A 88 4.228 14.710 6.691 1.00 0.00 C ATOM 1321 OD1 ASP A 88 4.065 15.106 5.520 1.00 0.00 O ATOM 1322 OD2 ASP A 88 4.701 15.333 7.665 1.00 0.00 O ATOM 0 H ASP A 88 1.871 12.910 5.446 1.00 0.00 H new ATOM 0 HA ASP A 88 4.540 12.617 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.669 13.404 7.352 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.269 12.951 7.905 1.00 0.00 H new ATOM 1327 N GLY A 89 3.237 10.174 6.952 1.00 0.00 N ATOM 1328 CA GLY A 89 3.435 8.874 7.505 1.00 0.00 C ATOM 1329 C GLY A 89 3.607 8.962 8.995 1.00 0.00 C ATOM 1330 O GLY A 89 3.718 7.923 9.648 1.00 0.00 O ATOM 0 H GLY A 89 2.255 10.447 6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.583 8.237 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.314 8.411 7.057 1.00 0.00 H new ATOM 1334 N HIS A 90 3.633 10.195 9.519 1.00 0.00 N ATOM 1335 CA HIS A 90 3.764 10.442 10.927 1.00 0.00 C ATOM 1336 C HIS A 90 2.572 9.823 11.637 1.00 0.00 C ATOM 1337 O HIS A 90 1.429 10.020 11.218 1.00 0.00 O ATOM 1338 CB HIS A 90 3.944 11.942 11.191 1.00 0.00 C ATOM 1339 CG HIS A 90 2.742 12.815 10.888 1.00 0.00 C ATOM 1340 ND1 HIS A 90 2.718 13.794 9.921 1.00 0.00 N ATOM 1341 CD2 HIS A 90 1.518 12.803 11.513 1.00 0.00 C ATOM 1342 CE1 HIS A 90 1.483 14.339 9.925 1.00 0.00 C ATOM 1343 NE2 HIS A 90 0.730 13.745 10.873 1.00 0.00 N ATOM 0 H HIS A 90 3.562 11.043 8.957 1.00 0.00 H new ATOM 0 HA HIS A 90 4.660 9.971 11.330 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.213 12.077 12.239 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.786 12.298 10.597 1.00 0.00 H new ATOM 0 HD2 HIS A 90 1.226 12.178 12.344 1.00 0.00 H new ATOM 0 HE1 HIS A 90 1.149 15.130 9.269 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -0.247 13.953 11.082 1.00 0.00 H new ATOM 1352 N ASP A 91 2.843 9.008 12.649 1.00 0.00 N ATOM 1353 CA ASP A 91 1.810 8.393 13.466 1.00 0.00 C ATOM 1354 C ASP A 91 1.011 9.491 14.141 1.00 0.00 C ATOM 1355 O ASP A 91 1.487 10.084 15.100 1.00 0.00 O ATOM 1356 CB ASP A 91 2.442 7.475 14.516 1.00 0.00 C ATOM 1357 CG ASP A 91 1.422 6.920 15.523 1.00 0.00 C ATOM 1358 OD1 ASP A 91 1.113 7.602 16.517 1.00 0.00 O ATOM 1359 OD2 ASP A 91 0.973 5.783 15.229 1.00 0.00 O ATOM 0 H ASP A 91 3.792 8.755 12.926 1.00 0.00 H new ATOM 0 HA ASP A 91 1.153 7.790 12.840 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.936 6.644 14.013 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.213 8.026 15.055 1.00 0.00 H new ATOM 1364 N TYR A 92 -0.093 9.907 13.516 1.00 0.00 N ATOM 1365 CA TYR A 92 -0.957 10.935 14.039 1.00 0.00 C ATOM 1366 C TYR A 92 -1.088 10.814 15.553 1.00 0.00 C ATOM 1367 O TYR A 92 -1.116 9.739 16.111 1.00 0.00 O ATOM 1368 CB TYR A 92 -2.311 10.759 13.362 1.00 0.00 C ATOM 1369 CG TYR A 92 -3.426 11.575 13.980 1.00 0.00 C ATOM 1370 CD1 TYR A 92 -3.199 12.911 14.372 1.00 0.00 C ATOM 1371 CD2 TYR A 92 -4.700 11.009 14.145 1.00 0.00 C ATOM 1372 CE1 TYR A 92 -4.227 13.669 14.946 1.00 0.00 C ATOM 1373 CE2 TYR A 92 -5.734 11.762 14.737 1.00 0.00 C ATOM 1374 CZ TYR A 92 -5.493 13.095 15.132 1.00 0.00 C ATOM 1375 OH TYR A 92 -6.490 13.855 15.628 1.00 0.00 O ATOM 0 H TYR A 92 -0.404 9.526 12.622 1.00 0.00 H new ATOM 0 HA TYR A 92 -0.548 11.925 13.836 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.217 11.031 12.311 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.587 9.705 13.395 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.224 13.353 14.228 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.888 9.997 13.818 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -4.046 14.691 15.244 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.708 11.320 14.888 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.264 14.802 15.519 1.00 0.00 H new ATOM 1385 N LYS A 93 -1.161 11.921 16.264 1.00 0.00 N ATOM 1386 CA LYS A 93 -1.352 11.899 17.695 1.00 0.00 C ATOM 1387 C LYS A 93 -2.815 11.633 18.031 1.00 0.00 C ATOM 1388 O LYS A 93 -3.503 12.480 18.598 1.00 0.00 O ATOM 1389 CB LYS A 93 -0.800 13.187 18.286 1.00 0.00 C ATOM 1390 CG LYS A 93 -1.267 14.420 17.492 1.00 0.00 C ATOM 1391 CD LYS A 93 -1.148 15.666 18.360 1.00 0.00 C ATOM 1392 CE LYS A 93 0.301 15.973 18.715 1.00 0.00 C ATOM 1393 NZ LYS A 93 0.359 16.912 19.849 1.00 0.00 N ATOM 0 H LYS A 93 -1.090 12.857 15.865 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.798 11.079 18.151 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.121 13.279 19.324 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.289 13.148 18.291 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.664 14.534 16.591 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.300 14.287 17.170 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.582 16.517 17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.725 15.528 19.275 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.824 15.051 18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.812 16.401 17.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.352 17.114 20.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.123 17.797 19.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.111 16.489 20.675 1.00 0.00 H new ATOM 1407 N PHE A 94 -3.309 10.474 17.628 1.00 0.00 N ATOM 1408 CA PHE A 94 -4.653 10.048 17.906 1.00 0.00 C ATOM 1409 C PHE A 94 -4.772 9.481 19.305 1.00 0.00 C ATOM 1410 O PHE A 94 -5.875 9.275 19.771 1.00 0.00 O ATOM 1411 CB PHE A 94 -5.058 8.983 16.891 1.00 0.00 C ATOM 1412 CG PHE A 94 -4.062 7.863 16.736 1.00 0.00 C ATOM 1413 CD1 PHE A 94 -4.114 6.738 17.565 1.00 0.00 C ATOM 1414 CD2 PHE A 94 -3.053 7.950 15.772 1.00 0.00 C ATOM 1415 CE1 PHE A 94 -3.161 5.714 17.416 1.00 0.00 C ATOM 1416 CE2 PHE A 94 -2.072 6.951 15.639 1.00 0.00 C ATOM 1417 CZ PHE A 94 -2.138 5.815 16.456 1.00 0.00 C ATOM 0 H PHE A 94 -2.770 9.797 17.089 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.312 10.913 17.833 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -6.018 8.561 17.188 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.205 9.459 15.922 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -4.884 6.656 18.318 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -3.026 8.805 15.113 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.216 4.839 18.047 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.277 7.058 14.916 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.410 5.024 16.350 1.00 0.00 H new ATOM 1427 N ASP A 95 -3.665 9.287 20.010 1.00 0.00 N ATOM 1428 CA ASP A 95 -3.648 8.770 21.369 1.00 0.00 C ATOM 1429 C ASP A 95 -3.552 9.919 22.368 1.00 0.00 C ATOM 1430 O ASP A 95 -4.156 9.905 23.442 1.00 0.00 O ATOM 1431 CB ASP A 95 -2.438 7.842 21.524 1.00 0.00 C ATOM 1432 CG ASP A 95 -2.174 7.453 22.982 1.00 0.00 C ATOM 1433 OD1 ASP A 95 -3.150 7.073 23.670 1.00 0.00 O ATOM 1434 OD2 ASP A 95 -1.002 7.560 23.399 1.00 0.00 O ATOM 0 H ASP A 95 -2.735 9.490 19.644 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.568 8.219 21.565 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.600 6.939 20.935 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.554 8.333 21.118 1.00 0.00 H new ATOM 1439 N SER A 96 -2.860 10.994 21.977 1.00 0.00 N ATOM 1440 CA SER A 96 -2.661 12.140 22.831 1.00 0.00 C ATOM 1441 C SER A 96 -3.889 13.016 22.761 1.00 0.00 C ATOM 1442 O SER A 96 -4.135 13.690 21.760 1.00 0.00 O ATOM 1443 CB SER A 96 -1.417 12.936 22.430 1.00 0.00 C ATOM 1444 OG SER A 96 -0.276 12.102 22.382 1.00 0.00 O ATOM 0 H SER A 96 -2.427 11.081 21.057 1.00 0.00 H new ATOM 0 HA SER A 96 -2.504 11.793 23.852 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.575 13.399 21.456 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.252 13.744 23.143 1.00 0.00 H new ATOM 0 HG SER A 96 0.506 12.632 22.122 1.00 0.00 H new ATOM 1450 N LYS A 97 -4.690 13.020 23.831 1.00 0.00 N ATOM 1451 CA LYS A 97 -5.894 13.835 23.887 1.00 0.00 C ATOM 1452 C LYS A 97 -5.521 15.297 23.718 1.00 0.00 C ATOM 1453 O LYS A 97 -6.164 16.021 22.970 1.00 0.00 O ATOM 1454 CB LYS A 97 -6.671 13.540 25.177 1.00 0.00 C ATOM 1455 CG LYS A 97 -6.259 14.444 26.344 1.00 0.00 C ATOM 1456 CD LYS A 97 -7.111 14.249 27.578 1.00 0.00 C ATOM 1457 CE LYS A 97 -7.047 12.789 28.028 1.00 0.00 C ATOM 1458 NZ LYS A 97 -7.194 12.699 29.490 1.00 0.00 N ATOM 0 H LYS A 97 -4.520 12.464 24.669 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.567 13.585 23.067 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.738 13.663 24.988 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.515 12.499 25.459 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.216 14.249 26.596 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -6.321 15.485 26.028 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.762 14.901 28.379 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.143 14.529 27.366 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -7.836 12.216 27.540 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -6.098 12.348 27.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.149 11.702 29.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.427 13.230 29.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.111 13.101 29.772 1.00 0.00 H new ATOM 1472 N LYS A 98 -4.517 15.750 24.483 1.00 0.00 N ATOM 1473 CA LYS A 98 -4.080 17.112 24.513 1.00 0.00 C ATOM 1474 C LYS A 98 -2.542 17.161 24.655 1.00 0.00 C ATOM 1475 O LYS A 98 -1.983 16.542 25.561 1.00 0.00 O ATOM 1476 CB LYS A 98 -4.847 17.963 25.530 1.00 0.00 C ATOM 1477 CG LYS A 98 -4.608 17.487 26.968 1.00 0.00 C ATOM 1478 CD LYS A 98 -4.234 18.655 27.871 1.00 0.00 C ATOM 1479 CE LYS A 98 -3.718 18.136 29.216 1.00 0.00 C ATOM 1480 NZ LYS A 98 -3.189 19.254 30.022 1.00 0.00 N ATOM 0 H LYS A 98 -3.985 15.144 25.108 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.325 17.584 23.562 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.541 19.005 25.437 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.913 17.923 25.307 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.506 17.001 27.349 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.812 16.742 26.981 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.470 19.266 27.391 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.102 19.296 28.028 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.523 17.638 29.756 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.937 17.394 29.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -2.841 18.891 30.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -2.408 19.711 29.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.945 19.948 30.192 1.00 0.00 H new ATOM 1494 N PRO A 99 -1.880 17.916 23.769 1.00 0.00 N ATOM 1495 CA PRO A 99 -2.542 18.597 22.668 1.00 0.00 C ATOM 1496 C PRO A 99 -3.011 17.608 21.601 1.00 0.00 C ATOM 1497 O PRO A 99 -2.763 16.409 21.704 1.00 0.00 O ATOM 1498 CB PRO A 99 -1.569 19.619 22.144 1.00 0.00 C ATOM 1499 CG PRO A 99 -0.196 19.147 22.643 1.00 0.00 C ATOM 1500 CD PRO A 99 -0.438 18.084 23.719 1.00 0.00 C ATOM 0 HA PRO A 99 -3.452 19.097 22.999 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -1.598 19.671 21.056 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -1.804 20.616 22.517 1.00 0.00 H new ATOM 0 HG2 PRO A 99 0.390 18.735 21.821 1.00 0.00 H new ATOM 0 HG3 PRO A 99 0.372 19.983 23.051 1.00 0.00 H new ATOM 0 HD2 PRO A 99 0.059 17.147 23.467 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -0.045 18.404 24.684 1.00 0.00 H new ATOM 1508 N LYS A 100 -3.687 18.117 20.576 1.00 0.00 N ATOM 1509 CA LYS A 100 -4.161 17.311 19.463 1.00 0.00 C ATOM 1510 C LYS A 100 -3.985 18.065 18.159 1.00 0.00 C ATOM 1511 O LYS A 100 -4.053 19.291 18.153 1.00 0.00 O ATOM 1512 CB LYS A 100 -5.600 16.867 19.733 1.00 0.00 C ATOM 1513 CG LYS A 100 -6.642 17.915 19.322 1.00 0.00 C ATOM 1514 CD LYS A 100 -7.427 17.432 18.101 1.00 0.00 C ATOM 1515 CE LYS A 100 -8.517 16.446 18.526 1.00 0.00 C ATOM 1516 NZ LYS A 100 -9.548 17.134 19.330 1.00 0.00 N ATOM 0 H LYS A 100 -3.921 19.107 20.496 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.566 16.403 19.365 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -5.795 15.940 19.194 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.713 16.648 20.795 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.325 18.104 20.151 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.148 18.860 19.095 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.876 18.283 17.589 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -6.751 16.954 17.392 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.974 15.997 17.644 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.077 15.634 19.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.479 17.006 18.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.566 16.732 20.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.326 18.149 19.384 1.00 0.00 H new ATOM 1530 N GLU A 101 -3.706 17.338 17.095 1.00 0.00 N ATOM 1531 CA GLU A 101 -3.544 17.952 15.790 1.00 0.00 C ATOM 1532 C GLU A 101 -4.809 17.803 14.964 1.00 0.00 C ATOM 1533 O GLU A 101 -5.698 17.012 15.301 1.00 0.00 O ATOM 1534 CB GLU A 101 -2.335 17.344 15.072 1.00 0.00 C ATOM 1535 CG GLU A 101 -1.625 18.396 14.210 1.00 0.00 C ATOM 1536 CD GLU A 101 -1.962 18.224 12.728 1.00 0.00 C ATOM 1537 OE1 GLU A 101 -1.775 17.090 12.229 1.00 0.00 O ATOM 1538 OE2 GLU A 101 -2.416 19.234 12.149 1.00 0.00 O ATOM 0 H GLU A 101 -3.587 16.325 17.107 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.363 19.019 15.922 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.638 16.938 15.805 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.659 16.513 14.446 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.917 19.394 14.537 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -0.547 18.317 14.351 1.00 0.00 H new ATOM 1545 N ASN A 102 -4.896 18.578 13.888 1.00 0.00 N ATOM 1546 CA ASN A 102 -6.021 18.495 12.995 1.00 0.00 C ATOM 1547 C ASN A 102 -6.192 17.080 12.437 1.00 0.00 C ATOM 1548 O ASN A 102 -5.226 16.329 12.341 1.00 0.00 O ATOM 1549 CB ASN A 102 -5.865 19.492 11.839 1.00 0.00 C ATOM 1550 CG ASN A 102 -7.105 20.332 11.631 1.00 0.00 C ATOM 1551 OD1 ASN A 102 -7.829 20.680 12.551 1.00 0.00 O ATOM 1552 ND2 ASN A 102 -7.435 20.604 10.392 1.00 0.00 N ATOM 0 H ASN A 102 -4.194 19.269 13.622 1.00 0.00 H new ATOM 0 HA ASN A 102 -6.913 18.746 13.569 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.016 20.146 12.039 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.640 18.948 10.922 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -8.299 21.108 10.193 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.828 20.312 9.627 1.00 0.00 H new ATOM 1559 N PRO A 103 -7.424 16.702 12.063 1.00 0.00 N ATOM 1560 CA PRO A 103 -7.694 15.407 11.471 1.00 0.00 C ATOM 1561 C PRO A 103 -7.205 15.340 10.029 1.00 0.00 C ATOM 1562 O PRO A 103 -6.417 16.156 9.566 1.00 0.00 O ATOM 1563 CB PRO A 103 -9.204 15.208 11.600 1.00 0.00 C ATOM 1564 CG PRO A 103 -9.792 16.609 11.808 1.00 0.00 C ATOM 1565 CD PRO A 103 -8.624 17.518 12.154 1.00 0.00 C ATOM 0 HA PRO A 103 -7.158 14.604 11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.615 14.740 10.705 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -9.442 14.555 12.440 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -10.300 16.955 10.907 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.531 16.605 12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.572 18.362 11.466 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -8.737 17.931 13.157 1.00 0.00 H new ATOM 1573 N GLY A 104 -7.672 14.331 9.292 1.00 0.00 N ATOM 1574 CA GLY A 104 -7.328 14.158 7.900 1.00 0.00 C ATOM 1575 C GLY A 104 -8.541 13.876 7.028 1.00 0.00 C ATOM 1576 O GLY A 104 -9.570 13.422 7.534 1.00 0.00 O ATOM 0 H GLY A 104 -8.301 13.614 9.655 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.827 15.056 7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.618 13.337 7.805 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.443 14.142 5.721 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.531 13.901 4.794 1.00 0.00 C ATOM 1582 C PRO A 105 -9.659 12.418 4.516 1.00 0.00 C ATOM 1583 O PRO A 105 -10.699 11.823 4.813 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.206 14.719 3.546 1.00 0.00 C ATOM 1585 CG PRO A 105 -7.711 15.047 3.655 1.00 0.00 C ATOM 1586 CD PRO A 105 -7.271 14.704 5.072 1.00 0.00 C ATOM 0 HA PRO A 105 -10.499 14.207 5.192 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -9.420 14.154 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.806 15.628 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.138 14.474 2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.533 16.101 3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.447 13.990 5.064 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.919 15.591 5.599 1.00 0.00 H new ATOM 1594 N ALA A 106 -8.627 11.836 3.896 1.00 0.00 N ATOM 1595 CA ALA A 106 -8.615 10.428 3.588 1.00 0.00 C ATOM 1596 C ALA A 106 -8.500 9.603 4.840 1.00 0.00 C ATOM 1597 O ALA A 106 -7.759 9.977 5.757 1.00 0.00 O ATOM 1598 CB ALA A 106 -7.480 10.144 2.651 1.00 0.00 C ATOM 0 H ALA A 106 -7.788 12.336 3.601 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.555 10.156 3.108 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.463 9.081 2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.612 10.720 1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.539 10.425 3.124 1.00 0.00 H new ATOM 1604 N ARG A 107 -9.220 8.481 4.867 1.00 0.00 N ATOM 1605 CA ARG A 107 -9.222 7.584 5.996 1.00 0.00 C ATOM 1606 C ARG A 107 -9.289 6.144 5.549 1.00 0.00 C ATOM 1607 O ARG A 107 -9.960 5.851 4.562 1.00 0.00 O ATOM 1608 CB ARG A 107 -10.398 7.895 6.926 1.00 0.00 C ATOM 1609 CG ARG A 107 -10.321 9.308 7.512 1.00 0.00 C ATOM 1610 CD ARG A 107 -10.762 9.358 8.971 1.00 0.00 C ATOM 1611 NE ARG A 107 -12.026 10.089 9.104 1.00 0.00 N ATOM 1612 CZ ARG A 107 -12.139 11.398 9.219 1.00 0.00 C ATOM 1613 NH1 ARG A 107 -11.089 12.146 9.345 1.00 0.00 N ATOM 1614 NH2 ARG A 107 -13.315 11.955 9.299 1.00 0.00 N ATOM 0 H ARG A 107 -9.817 8.178 4.097 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.289 7.732 6.539 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -11.332 7.783 6.376 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.417 7.168 7.738 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -9.298 9.676 7.432 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -10.948 9.977 6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.879 8.345 9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -9.992 9.840 9.573 1.00 0.00 H new ATOM 0 HE ARG A 107 -12.887 9.542 9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -10.160 11.724 9.356 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.191 13.157 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -14.156 11.378 9.273 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -13.395 12.968 9.388 1.00 0.00 H new ATOM 1628 N VAL A 108 -8.602 5.265 6.267 1.00 0.00 N ATOM 1629 CA VAL A 108 -8.599 3.844 5.963 1.00 0.00 C ATOM 1630 C VAL A 108 -9.814 3.172 6.570 1.00 0.00 C ATOM 1631 O VAL A 108 -10.087 3.317 7.759 1.00 0.00 O ATOM 1632 CB VAL A 108 -7.297 3.210 6.444 1.00 0.00 C ATOM 1633 CG1 VAL A 108 -7.035 3.497 7.913 1.00 0.00 C ATOM 1634 CG2 VAL A 108 -7.284 1.710 6.173 1.00 0.00 C ATOM 0 H VAL A 108 -8.033 5.519 7.075 1.00 0.00 H new ATOM 0 HA VAL A 108 -8.657 3.705 4.883 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.488 3.667 5.874 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -6.099 3.027 8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -6.967 4.574 8.067 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -7.852 3.096 8.513 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.345 1.285 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -8.115 1.238 6.697 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.383 1.533 5.102 1.00 0.00 H new ATOM 1644 N ILE A 109 -10.589 2.491 5.738 1.00 0.00 N ATOM 1645 CA ILE A 109 -11.790 1.813 6.188 1.00 0.00 C ATOM 1646 C ILE A 109 -11.542 0.335 6.276 1.00 0.00 C ATOM 1647 O ILE A 109 -10.853 -0.216 5.422 1.00 0.00 O ATOM 1648 CB ILE A 109 -12.956 2.179 5.265 1.00 0.00 C ATOM 1649 CG1 ILE A 109 -13.196 3.689 5.230 1.00 0.00 C ATOM 1650 CG2 ILE A 109 -14.217 1.462 5.694 1.00 0.00 C ATOM 1651 CD1 ILE A 109 -12.984 4.345 6.568 1.00 0.00 C ATOM 0 H ILE A 109 -10.403 2.395 4.740 1.00 0.00 H new ATOM 0 HA ILE A 109 -12.062 2.140 7.192 1.00 0.00 H new ATOM 0 HB ILE A 109 -12.689 1.859 4.258 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.527 4.142 4.499 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -14.214 3.883 4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -15.035 1.734 5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -14.056 0.385 5.650 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -14.470 1.750 6.714 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.169 5.416 6.482 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -13.672 3.916 7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.958 4.179 6.896 1.00 0.00 H new ATOM 1663 N TYR A 110 -12.080 -0.303 7.311 1.00 0.00 N ATOM 1664 CA TYR A 110 -11.899 -1.712 7.538 1.00 0.00 C ATOM 1665 C TYR A 110 -12.911 -2.244 8.539 1.00 0.00 C ATOM 1666 O TYR A 110 -13.412 -1.534 9.420 1.00 0.00 O ATOM 1667 CB TYR A 110 -10.492 -1.900 8.092 1.00 0.00 C ATOM 1668 CG TYR A 110 -10.305 -1.234 9.444 1.00 0.00 C ATOM 1669 CD1 TYR A 110 -10.919 -1.765 10.596 1.00 0.00 C ATOM 1670 CD2 TYR A 110 -9.476 -0.104 9.577 1.00 0.00 C ATOM 1671 CE1 TYR A 110 -10.753 -1.177 11.853 1.00 0.00 C ATOM 1672 CE2 TYR A 110 -9.271 0.473 10.849 1.00 0.00 C ATOM 1673 CZ TYR A 110 -9.923 -0.053 11.985 1.00 0.00 C ATOM 1674 OH TYR A 110 -9.693 0.469 13.212 1.00 0.00 O ATOM 0 H TYR A 110 -12.657 0.157 8.015 1.00 0.00 H new ATOM 0 HA TYR A 110 -12.041 -2.258 6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -10.280 -2.965 8.183 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -9.769 -1.491 7.386 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -11.533 -2.649 10.505 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.997 0.321 8.707 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -11.259 -1.584 12.716 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -8.611 1.322 10.954 1.00 0.00 H new ATOM 0 HH TYR A 110 -9.097 1.243 13.132 1.00 0.00 H new ATOM 1684 N THR A 111 -13.233 -3.517 8.411 1.00 0.00 N ATOM 1685 CA THR A 111 -14.216 -4.141 9.279 1.00 0.00 C ATOM 1686 C THR A 111 -13.520 -4.700 10.496 1.00 0.00 C ATOM 1687 O THR A 111 -12.303 -4.822 10.513 1.00 0.00 O ATOM 1688 CB THR A 111 -14.987 -5.207 8.496 1.00 0.00 C ATOM 1689 OG1 THR A 111 -14.244 -6.392 8.411 1.00 0.00 O ATOM 1690 CG2 THR A 111 -15.235 -4.785 7.049 1.00 0.00 C ATOM 0 H THR A 111 -12.828 -4.141 7.713 1.00 0.00 H new ATOM 0 HA THR A 111 -14.945 -3.409 9.627 1.00 0.00 H new ATOM 0 HB THR A 111 -15.927 -5.344 9.031 1.00 0.00 H new ATOM 0 HG1 THR A 111 -14.753 -7.062 7.909 1.00 0.00 H new ATOM 0 HG21 THR A 111 -15.785 -5.570 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 111 -15.817 -3.864 7.033 1.00 0.00 H new ATOM 0 HG23 THR A 111 -14.280 -4.620 6.550 1.00 0.00 H new ATOM 1698 N TYR A 112 -14.287 -5.061 11.511 1.00 0.00 N ATOM 1699 CA TYR A 112 -13.763 -5.623 12.727 1.00 0.00 C ATOM 1700 C TYR A 112 -14.147 -7.107 12.864 1.00 0.00 C ATOM 1701 O TYR A 112 -15.216 -7.508 12.404 1.00 0.00 O ATOM 1702 CB TYR A 112 -14.208 -4.744 13.905 1.00 0.00 C ATOM 1703 CG TYR A 112 -14.143 -5.388 15.279 1.00 0.00 C ATOM 1704 CD1 TYR A 112 -14.911 -6.526 15.579 1.00 0.00 C ATOM 1705 CD2 TYR A 112 -13.238 -4.926 16.244 1.00 0.00 C ATOM 1706 CE1 TYR A 112 -14.835 -7.179 16.805 1.00 0.00 C ATOM 1707 CE2 TYR A 112 -13.125 -5.588 17.482 1.00 0.00 C ATOM 1708 CZ TYR A 112 -13.919 -6.731 17.756 1.00 0.00 C ATOM 1709 OH TYR A 112 -13.843 -7.426 18.914 1.00 0.00 O ATOM 0 H TYR A 112 -15.303 -4.968 11.506 1.00 0.00 H new ATOM 0 HA TYR A 112 -12.673 -5.622 12.714 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -13.589 -3.847 13.917 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -15.234 -4.422 13.725 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -15.587 -6.909 14.828 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -12.626 -4.060 16.038 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -15.477 -8.021 17.017 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -12.431 -5.224 18.225 1.00 0.00 H new ATOM 0 HH TYR A 112 -12.934 -7.364 19.274 1.00 0.00 H new ATOM 1719 N PRO A 113 -13.341 -7.894 13.599 1.00 0.00 N ATOM 1720 CA PRO A 113 -12.080 -7.434 14.158 1.00 0.00 C ATOM 1721 C PRO A 113 -11.056 -7.311 13.067 1.00 0.00 C ATOM 1722 O PRO A 113 -10.487 -6.241 12.872 1.00 0.00 O ATOM 1723 CB PRO A 113 -11.676 -8.407 15.242 1.00 0.00 C ATOM 1724 CG PRO A 113 -12.515 -9.665 14.971 1.00 0.00 C ATOM 1725 CD PRO A 113 -13.631 -9.263 13.995 1.00 0.00 C ATOM 0 HA PRO A 113 -12.173 -6.443 14.603 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -10.609 -8.626 15.200 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -11.879 -8.002 16.233 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -11.897 -10.455 14.545 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -12.936 -10.054 15.898 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -13.649 -9.924 13.129 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -14.609 -9.333 14.470 1.00 0.00 H new ATOM 1733 N ASN A 114 -10.837 -8.398 12.331 1.00 0.00 N ATOM 1734 CA ASN A 114 -9.887 -8.432 11.248 1.00 0.00 C ATOM 1735 C ASN A 114 -10.022 -7.193 10.414 1.00 0.00 C ATOM 1736 O ASN A 114 -11.091 -7.051 9.851 1.00 0.00 O ATOM 1737 CB ASN A 114 -10.151 -9.645 10.351 1.00 0.00 C ATOM 1738 CG ASN A 114 -8.876 -10.360 9.998 1.00 0.00 C ATOM 1739 OD1 ASN A 114 -7.774 -9.947 10.330 1.00 0.00 O ATOM 1740 ND2 ASN A 114 -9.016 -11.471 9.327 1.00 0.00 N ATOM 0 H ASN A 114 -11.324 -9.282 12.480 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.885 -8.495 11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -10.826 -10.334 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -10.652 -9.321 9.439 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.194 -12.017 9.067 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.947 -11.793 9.062 1.00 0.00 H new ATOM 1747 N LYS A 115 -9.012 -6.319 10.394 1.00 0.00 N ATOM 1748 CA LYS A 115 -9.030 -5.069 9.659 1.00 0.00 C ATOM 1749 C LYS A 115 -9.138 -5.377 8.187 1.00 0.00 C ATOM 1750 O LYS A 115 -8.117 -5.388 7.511 1.00 0.00 O ATOM 1751 CB LYS A 115 -7.782 -4.239 10.006 1.00 0.00 C ATOM 1752 CG LYS A 115 -8.150 -3.057 10.891 1.00 0.00 C ATOM 1753 CD LYS A 115 -7.169 -2.832 12.025 1.00 0.00 C ATOM 1754 CE LYS A 115 -7.327 -3.941 13.066 1.00 0.00 C ATOM 1755 NZ LYS A 115 -6.234 -4.919 13.004 1.00 0.00 N ATOM 0 H LYS A 115 -8.142 -6.473 10.904 1.00 0.00 H new ATOM 0 HA LYS A 115 -9.893 -4.465 9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.052 -4.867 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.311 -3.881 9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.202 -2.156 10.280 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.145 -3.218 11.306 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.149 -2.822 11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -7.346 -1.860 12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.361 -3.500 14.062 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.278 -4.451 12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.630 -5.879 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.654 -4.738 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.643 -4.833 13.855 1.00 0.00 H new ATOM 1769 N VAL A 116 -10.341 -5.701 7.716 1.00 0.00 N ATOM 1770 CA VAL A 116 -10.605 -6.103 6.356 1.00 0.00 C ATOM 1771 C VAL A 116 -10.504 -4.850 5.521 1.00 0.00 C ATOM 1772 O VAL A 116 -11.518 -4.268 5.183 1.00 0.00 O ATOM 1773 CB VAL A 116 -11.979 -6.774 6.235 1.00 0.00 C ATOM 1774 CG1 VAL A 116 -12.336 -7.037 4.776 1.00 0.00 C ATOM 1775 CG2 VAL A 116 -12.023 -8.095 7.019 1.00 0.00 C ATOM 0 H VAL A 116 -11.179 -5.687 8.298 1.00 0.00 H new ATOM 0 HA VAL A 116 -9.888 -6.848 6.011 1.00 0.00 H new ATOM 0 HB VAL A 116 -12.711 -6.087 6.660 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -13.315 -7.513 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -12.361 -6.093 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -11.588 -7.693 4.331 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -13.009 -8.547 6.915 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -11.268 -8.776 6.627 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -11.823 -7.900 8.073 1.00 0.00 H new ATOM 1785 N PHE A 117 -9.289 -4.344 5.326 1.00 0.00 N ATOM 1786 CA PHE A 117 -8.988 -3.150 4.585 1.00 0.00 C ATOM 1787 C PHE A 117 -9.904 -3.040 3.372 1.00 0.00 C ATOM 1788 O PHE A 117 -9.783 -3.815 2.421 1.00 0.00 O ATOM 1789 CB PHE A 117 -7.530 -3.246 4.144 1.00 0.00 C ATOM 1790 CG PHE A 117 -7.161 -2.222 3.111 1.00 0.00 C ATOM 1791 CD1 PHE A 117 -7.119 -0.865 3.468 1.00 0.00 C ATOM 1792 CD2 PHE A 117 -6.907 -2.619 1.785 1.00 0.00 C ATOM 1793 CE1 PHE A 117 -6.819 0.098 2.500 1.00 0.00 C ATOM 1794 CE2 PHE A 117 -6.579 -1.662 0.818 1.00 0.00 C ATOM 1795 CZ PHE A 117 -6.560 -0.312 1.183 1.00 0.00 C ATOM 0 H PHE A 117 -8.453 -4.789 5.706 1.00 0.00 H new ATOM 0 HA PHE A 117 -9.144 -2.263 5.199 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -6.884 -3.125 5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -7.342 -4.242 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.318 -0.566 4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -6.965 -3.663 1.513 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -6.787 1.145 2.763 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.345 -1.961 -0.193 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.341 0.433 0.433 1.00 0.00 H new ATOM 1805 N CYS A 118 -10.887 -2.150 3.453 1.00 0.00 N ATOM 1806 CA CYS A 118 -11.840 -1.980 2.390 1.00 0.00 C ATOM 1807 C CYS A 118 -11.217 -1.066 1.349 1.00 0.00 C ATOM 1808 O CYS A 118 -11.288 -1.328 0.149 1.00 0.00 O ATOM 1809 CB CYS A 118 -13.151 -1.403 2.925 1.00 0.00 C ATOM 1810 SG CYS A 118 -13.721 -2.110 4.472 1.00 0.00 S ATOM 0 H CYS A 118 -11.035 -1.537 4.254 1.00 0.00 H new ATOM 0 HA CYS A 118 -12.081 -2.942 1.938 1.00 0.00 H new ATOM 0 HB2 CYS A 118 -13.029 -0.328 3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 118 -13.926 -1.545 2.172 1.00 0.00 H new ATOM 1815 N GLY A 119 -10.591 0.019 1.812 1.00 0.00 N ATOM 1816 CA GLY A 119 -9.949 0.975 0.948 1.00 0.00 C ATOM 1817 C GLY A 119 -9.813 2.303 1.650 1.00 0.00 C ATOM 1818 O GLY A 119 -9.555 2.367 2.855 1.00 0.00 O ATOM 0 H GLY A 119 -10.523 0.247 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.965 0.608 0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -10.529 1.097 0.033 1.00 0.00 H new ATOM 1822 N ILE A 120 -9.925 3.381 0.881 1.00 0.00 N ATOM 1823 CA ILE A 120 -9.717 4.715 1.423 1.00 0.00 C ATOM 1824 C ILE A 120 -10.916 5.529 1.062 1.00 0.00 C ATOM 1825 O ILE A 120 -11.496 5.278 0.019 1.00 0.00 O ATOM 1826 CB ILE A 120 -8.404 5.332 0.935 1.00 0.00 C ATOM 1827 CG1 ILE A 120 -7.253 4.321 1.009 1.00 0.00 C ATOM 1828 CG2 ILE A 120 -8.077 6.597 1.744 1.00 0.00 C ATOM 1829 CD1 ILE A 120 -6.342 4.491 2.193 1.00 0.00 C ATOM 0 H ILE A 120 -10.157 3.356 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 120 -9.615 4.679 2.508 1.00 0.00 H new ATOM 0 HB ILE A 120 -8.527 5.612 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -7.672 3.315 1.032 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -6.660 4.399 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -7.141 7.026 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -8.879 7.325 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -7.979 6.339 2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.559 3.733 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -5.889 5.482 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -6.916 4.381 3.113 1.00 0.00 H new ATOM 1841 N ILE A 121 -11.332 6.449 1.910 1.00 0.00 N ATOM 1842 CA ILE A 121 -12.513 7.253 1.668 1.00 0.00 C ATOM 1843 C ILE A 121 -12.201 8.670 2.051 1.00 0.00 C ATOM 1844 O ILE A 121 -11.395 8.887 2.954 1.00 0.00 O ATOM 1845 CB ILE A 121 -13.748 6.702 2.393 1.00 0.00 C ATOM 1846 CG1 ILE A 121 -13.753 7.142 3.861 1.00 0.00 C ATOM 1847 CG2 ILE A 121 -13.820 5.171 2.258 1.00 0.00 C ATOM 1848 CD1 ILE A 121 -15.057 6.800 4.521 1.00 0.00 C ATOM 0 H ILE A 121 -10.859 6.660 2.789 1.00 0.00 H new ATOM 0 HA ILE A 121 -12.771 7.217 0.610 1.00 0.00 H new ATOM 0 HB ILE A 121 -14.641 7.115 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -12.934 6.657 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -13.581 8.217 3.923 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -14.703 4.801 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -13.881 4.901 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -12.927 4.725 2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -15.034 7.123 5.562 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -15.871 7.306 4.002 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -15.214 5.722 4.479 1.00 0.00 H new ATOM 1860 N ALA A 122 -12.859 9.637 1.424 1.00 0.00 N ATOM 1861 CA ALA A 122 -12.630 11.042 1.683 1.00 0.00 C ATOM 1862 C ALA A 122 -13.501 11.879 0.768 1.00 0.00 C ATOM 1863 O ALA A 122 -13.554 11.681 -0.445 1.00 0.00 O ATOM 1864 CB ALA A 122 -11.159 11.392 1.476 1.00 0.00 C ATOM 0 H ALA A 122 -13.572 9.460 0.716 1.00 0.00 H new ATOM 0 HA ALA A 122 -12.891 11.256 2.720 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -11.006 12.453 1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -10.545 10.802 2.157 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -10.874 11.171 0.447 1.00 0.00 H new ATOM 2011 N LYS A 132 -16.248 9.372 -0.152 1.00 0.00 N ATOM 2012 CA LYS A 132 -16.332 8.498 -1.311 1.00 0.00 C ATOM 2013 C LYS A 132 -15.084 7.667 -1.381 1.00 0.00 C ATOM 2014 O LYS A 132 -14.039 8.147 -0.943 1.00 0.00 O ATOM 2015 CB LYS A 132 -16.596 9.299 -2.583 1.00 0.00 C ATOM 2016 CG LYS A 132 -16.002 10.715 -2.527 1.00 0.00 C ATOM 2017 CD LYS A 132 -16.113 11.428 -3.872 1.00 0.00 C ATOM 2018 CE LYS A 132 -14.758 12.024 -4.271 1.00 0.00 C ATOM 2019 NZ LYS A 132 -14.921 12.946 -5.411 1.00 0.00 N ATOM 0 HA LYS A 132 -17.180 7.820 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -16.176 8.767 -3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.671 9.367 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -16.519 11.296 -1.763 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -14.955 10.659 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -16.449 10.727 -4.636 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -16.862 12.218 -3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -14.323 12.555 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -14.065 11.225 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -13.996 13.343 -5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -15.317 12.429 -6.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -15.566 13.717 -5.144 1.00 0.00 H new ATOM 2033 N LEU A 133 -15.195 6.457 -1.924 1.00 0.00 N ATOM 2034 CA LEU A 133 -14.058 5.562 -2.056 1.00 0.00 C ATOM 2035 C LEU A 133 -13.007 6.217 -2.954 1.00 0.00 C ATOM 2036 O LEU A 133 -13.321 6.704 -4.041 1.00 0.00 O ATOM 2037 CB LEU A 133 -14.534 4.216 -2.613 1.00 0.00 C ATOM 2038 CG LEU A 133 -13.470 3.109 -2.605 1.00 0.00 C ATOM 2039 CD1 LEU A 133 -13.424 2.392 -1.257 1.00 0.00 C ATOM 2040 CD2 LEU A 133 -13.739 2.114 -3.739 1.00 0.00 C ATOM 0 H LEU A 133 -16.071 6.075 -2.281 1.00 0.00 H new ATOM 0 HA LEU A 133 -13.599 5.375 -1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -15.393 3.880 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -14.879 4.363 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 133 -12.496 3.571 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -12.661 1.614 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -13.184 3.109 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -14.395 1.941 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -12.979 1.333 -3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -14.723 1.666 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -13.706 2.635 -4.696 1.00 0.00 H new ATOM 2052 N CYS A 134 -11.776 6.281 -2.464 1.00 0.00 N ATOM 2053 CA CYS A 134 -10.650 6.814 -3.178 1.00 0.00 C ATOM 2054 C CYS A 134 -10.324 5.908 -4.356 1.00 0.00 C ATOM 2055 O CYS A 134 -11.001 4.916 -4.642 1.00 0.00 O ATOM 2056 CB CYS A 134 -9.458 6.992 -2.231 1.00 0.00 C ATOM 2057 SG CYS A 134 -9.931 7.925 -0.743 1.00 0.00 S ATOM 0 H CYS A 134 -11.539 5.950 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 134 -10.891 7.801 -3.573 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.071 6.015 -1.942 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -8.653 7.513 -2.749 1.00 0.00 H new ATOM 2062 N SER A 135 -9.233 6.218 -5.035 1.00 0.00 N ATOM 2063 CA SER A 135 -8.823 5.438 -6.189 1.00 0.00 C ATOM 2064 C SER A 135 -7.319 5.503 -6.329 1.00 0.00 C ATOM 2065 O SER A 135 -6.773 6.548 -6.665 1.00 0.00 O ATOM 2066 CB SER A 135 -9.495 5.962 -7.461 1.00 0.00 C ATOM 2067 OG SER A 135 -10.911 5.857 -7.381 1.00 0.00 O ATOM 0 H SER A 135 -8.618 7.000 -4.809 1.00 0.00 H new ATOM 0 HA SER A 135 -9.130 4.402 -6.045 1.00 0.00 H new ATOM 0 HB2 SER A 135 -9.214 7.003 -7.620 1.00 0.00 H new ATOM 0 HB3 SER A 135 -9.135 5.400 -8.323 1.00 0.00 H new ATOM 0 HG SER A 135 -11.312 6.201 -8.207 1.00 0.00 H new ATOM 2073 N HIS A 136 -6.644 4.447 -5.897 1.00 0.00 N ATOM 2074 CA HIS A 136 -5.211 4.333 -6.065 1.00 0.00 C ATOM 2075 C HIS A 136 -4.781 4.188 -7.531 1.00 0.00 C ATOM 2076 O HIS A 136 -5.472 3.431 -8.242 1.00 0.00 O ATOM 2077 CB HIS A 136 -4.714 3.189 -5.184 1.00 0.00 C ATOM 2078 CG HIS A 136 -5.454 1.875 -5.289 1.00 0.00 C ATOM 2079 ND1 HIS A 136 -5.290 0.825 -4.435 1.00 0.00 N ATOM 2080 CD2 HIS A 136 -6.405 1.512 -6.197 1.00 0.00 C ATOM 2081 CE1 HIS A 136 -6.130 -0.161 -4.790 1.00 0.00 C ATOM 2082 NE2 HIS A 136 -6.829 0.244 -5.862 1.00 0.00 N ATOM 2083 OXT HIS A 136 -3.747 4.781 -7.876 1.00 0.00 O ATOM 0 H HIS A 136 -7.075 3.653 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 136 -4.743 5.264 -5.746 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -3.666 3.008 -5.422 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -4.753 3.519 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -6.760 2.108 -7.025 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -6.227 -1.117 -4.297 1.00 0.00 H new ATOM 0 HE2 HIS A 136 -7.549 -0.293 -6.345 1.00 0.00 H new