USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 758 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 100 THR OG1 : rot -130:sc= 0.696 USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= 0.61 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.26 K(o=-1.3,f=-3.2!) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 51 HIS : no HD1:sc= -0.224 X(o=-0.22,f=0.043) USER MOD Single : A 13 LYS NZ :NH3+ 151:sc= 0.27 (180deg=-1.19) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.193 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-6.6!) USER MOD Single : A 41 ASN : amide:sc= -5.63! C(o=-5.6!,f=-11!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -107:sc= -2.18 USER MOD Single : A 70 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= -0.041 (180deg=-0.041) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -2.08 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.869 X(o=-0.87,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 39 N VAL A 8 169.164 10.981 7.364 1.00 0.00 N ATOM 40 CA VAL A 8 170.010 10.984 6.178 1.00 0.00 C ATOM 41 C VAL A 8 170.821 9.694 6.079 1.00 0.00 C ATOM 42 O VAL A 8 170.963 8.964 7.059 1.00 0.00 O ATOM 43 CB VAL A 8 170.974 12.184 6.196 1.00 0.00 C ATOM 44 CG1 VAL A 8 171.747 12.276 4.890 1.00 0.00 C ATOM 45 CG2 VAL A 8 170.214 13.474 6.467 1.00 0.00 C ATOM 0 HA VAL A 8 169.353 11.061 5.311 1.00 0.00 H new ATOM 0 HB VAL A 8 171.692 12.034 7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 8 172.422 13.131 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 8 172.325 11.364 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 171.049 12.399 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 8 170.911 14.312 6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 8 169.470 13.629 5.685 1.00 0.00 H new ATOM 0 HG23 VAL A 8 169.715 13.406 7.434 1.00 0.00 H new ATOM 55 N VAL A 9 171.351 9.421 4.892 1.00 0.00 N ATOM 56 CA VAL A 9 172.149 8.220 4.669 1.00 0.00 C ATOM 57 C VAL A 9 173.456 8.279 5.461 1.00 0.00 C ATOM 58 O VAL A 9 174.103 9.323 5.526 1.00 0.00 O ATOM 59 CB VAL A 9 172.468 8.036 3.171 1.00 0.00 C ATOM 60 CG1 VAL A 9 173.213 9.247 2.630 1.00 0.00 C ATOM 61 CG2 VAL A 9 173.266 6.760 2.942 1.00 0.00 C ATOM 0 H VAL A 9 171.243 10.014 4.069 1.00 0.00 H new ATOM 0 HA VAL A 9 171.560 7.370 5.013 1.00 0.00 H new ATOM 0 HB VAL A 9 171.527 7.946 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 9 173.429 9.098 1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 9 172.597 10.138 2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 9 174.147 9.374 3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 9 173.480 6.650 1.879 1.00 0.00 H new ATOM 0 HG22 VAL A 9 174.203 6.812 3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 9 172.688 5.903 3.286 1.00 0.00 H new ATOM 71 N PRO A 10 173.864 7.153 6.079 1.00 0.00 N ATOM 72 CA PRO A 10 175.100 7.090 6.867 1.00 0.00 C ATOM 73 C PRO A 10 176.345 7.275 6.012 1.00 0.00 C ATOM 74 O PRO A 10 176.261 7.672 4.850 1.00 0.00 O ATOM 75 CB PRO A 10 175.077 5.683 7.470 1.00 0.00 C ATOM 76 CG PRO A 10 174.188 4.895 6.573 1.00 0.00 C ATOM 77 CD PRO A 10 173.158 5.860 6.058 1.00 0.00 C ATOM 0 HA PRO A 10 175.141 7.886 7.611 1.00 0.00 H new ATOM 0 HB2 PRO A 10 176.078 5.254 7.510 1.00 0.00 H new ATOM 0 HB3 PRO A 10 174.696 5.697 8.491 1.00 0.00 H new ATOM 0 HG2 PRO A 10 174.754 4.454 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 10 173.717 4.074 7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 10 172.829 5.598 5.053 1.00 0.00 H new ATOM 0 HD3 PRO A 10 172.270 5.876 6.690 1.00 0.00 H new ATOM 85 N SER A 11 177.502 6.989 6.600 1.00 0.00 N ATOM 86 CA SER A 11 178.769 7.129 5.898 1.00 0.00 C ATOM 87 C SER A 11 179.391 5.772 5.590 1.00 0.00 C ATOM 88 O SER A 11 179.734 5.015 6.496 1.00 0.00 O ATOM 89 CB SER A 11 179.732 7.966 6.735 1.00 0.00 C ATOM 90 OG SER A 11 180.784 8.485 5.941 1.00 0.00 O ATOM 0 H SER A 11 177.587 6.659 7.561 1.00 0.00 H new ATOM 0 HA SER A 11 178.576 7.630 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 11 179.190 8.786 7.206 1.00 0.00 H new ATOM 0 HB3 SER A 11 180.146 7.355 7.537 1.00 0.00 H new ATOM 0 HG SER A 11 181.385 9.018 6.502 1.00 0.00 H new ATOM 96 N ALA A 12 179.536 5.474 4.300 1.00 0.00 N ATOM 97 CA ALA A 12 180.120 4.210 3.876 1.00 0.00 C ATOM 98 C ALA A 12 181.643 4.249 3.947 1.00 0.00 C ATOM 99 O ALA A 12 182.298 4.896 3.130 1.00 0.00 O ATOM 100 CB ALA A 12 179.664 3.863 2.467 1.00 0.00 C ATOM 0 H ALA A 12 179.257 6.090 3.536 1.00 0.00 H new ATOM 0 HA ALA A 12 179.774 3.436 4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 12 180.109 2.915 2.164 1.00 0.00 H new ATOM 0 HB2 ALA A 12 178.578 3.777 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 12 179.978 4.648 1.779 1.00 0.00 H new ATOM 106 N LYS A 13 182.199 3.539 4.925 1.00 0.00 N ATOM 107 CA LYS A 13 183.646 3.479 5.095 1.00 0.00 C ATOM 108 C LYS A 13 184.234 2.446 4.141 1.00 0.00 C ATOM 109 O LYS A 13 183.533 1.542 3.695 1.00 0.00 O ATOM 110 CB LYS A 13 183.999 3.121 6.540 1.00 0.00 C ATOM 111 CG LYS A 13 185.248 3.821 7.052 1.00 0.00 C ATOM 112 CD LYS A 13 186.458 2.902 7.010 1.00 0.00 C ATOM 113 CE LYS A 13 187.652 3.519 7.720 1.00 0.00 C ATOM 114 NZ LYS A 13 188.929 3.233 7.011 1.00 0.00 N ATOM 0 H LYS A 13 181.670 2.999 5.610 1.00 0.00 H new ATOM 0 HA LYS A 13 184.069 4.458 4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 183.159 3.378 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 13 184.140 2.043 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 13 185.442 4.708 6.449 1.00 0.00 H new ATOM 0 HG3 LYS A 13 185.083 4.161 8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 13 186.209 1.949 7.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 186.720 2.690 5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 13 187.512 4.597 7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 13 187.708 3.133 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 189.604 4.005 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 189.328 2.339 7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 188.749 3.155 5.990 1.00 0.00 H new ATOM 128 N LEU A 14 185.517 2.587 3.819 1.00 0.00 N ATOM 129 CA LEU A 14 186.163 1.656 2.902 1.00 0.00 C ATOM 130 C LEU A 14 187.633 1.437 3.255 1.00 0.00 C ATOM 131 O LEU A 14 188.298 2.327 3.783 1.00 0.00 O ATOM 132 CB LEU A 14 186.048 2.166 1.466 1.00 0.00 C ATOM 133 CG LEU A 14 184.618 2.358 0.962 1.00 0.00 C ATOM 134 CD1 LEU A 14 184.126 3.760 1.277 1.00 0.00 C ATOM 135 CD2 LEU A 14 184.538 2.087 -0.534 1.00 0.00 C ATOM 0 H LEU A 14 186.122 3.327 4.175 1.00 0.00 H new ATOM 0 HA LEU A 14 185.650 0.698 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 14 186.575 3.117 1.391 1.00 0.00 H new ATOM 0 HB3 LEU A 14 186.559 1.466 0.805 1.00 0.00 H new ATOM 0 HG LEU A 14 183.974 1.644 1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 14 183.106 3.879 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 14 184.145 3.919 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 14 184.773 4.490 0.791 1.00 0.00 H new ATOM 0 HD21 LEU A 14 183.512 2.229 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 185.195 2.776 -1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 14 184.849 1.062 -0.735 1.00 0.00 H new ATOM 147 N GLU A 15 188.125 0.242 2.945 1.00 0.00 N ATOM 148 CA GLU A 15 189.514 -0.118 3.210 1.00 0.00 C ATOM 149 C GLU A 15 190.016 -1.103 2.158 1.00 0.00 C ATOM 150 O GLU A 15 189.268 -1.976 1.712 1.00 0.00 O ATOM 151 CB GLU A 15 189.648 -0.730 4.606 1.00 0.00 C ATOM 152 CG GLU A 15 189.624 0.296 5.725 1.00 0.00 C ATOM 153 CD GLU A 15 189.425 -0.332 7.090 1.00 0.00 C ATOM 154 OE1 GLU A 15 189.635 -1.556 7.218 1.00 0.00 O ATOM 155 OE2 GLU A 15 189.058 0.401 8.034 1.00 0.00 O ATOM 0 H GLU A 15 187.578 -0.499 2.507 1.00 0.00 H new ATOM 0 HA GLU A 15 190.120 0.787 3.163 1.00 0.00 H new ATOM 0 HB2 GLU A 15 188.838 -1.443 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 190.581 -1.292 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 15 190.560 0.855 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 15 188.824 1.012 5.539 1.00 0.00 H new ATOM 162 N ALA A 16 191.276 -0.962 1.752 1.00 0.00 N ATOM 163 CA ALA A 16 191.844 -1.851 0.737 1.00 0.00 C ATOM 164 C ALA A 16 192.422 -3.115 1.363 1.00 0.00 C ATOM 165 O ALA A 16 193.394 -3.065 2.113 1.00 0.00 O ATOM 166 CB ALA A 16 192.911 -1.123 -0.067 1.00 0.00 C ATOM 0 H ALA A 16 191.917 -0.251 2.104 1.00 0.00 H new ATOM 0 HA ALA A 16 191.038 -2.150 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 16 193.324 -1.797 -0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 16 192.468 -0.258 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 16 193.707 -0.792 0.600 1.00 0.00 H new ATOM 172 N ILE A 17 191.808 -4.251 1.042 1.00 0.00 N ATOM 173 CA ILE A 17 192.249 -5.538 1.564 1.00 0.00 C ATOM 174 C ILE A 17 193.291 -6.177 0.651 1.00 0.00 C ATOM 175 O ILE A 17 193.092 -6.275 -0.560 1.00 0.00 O ATOM 176 CB ILE A 17 191.065 -6.512 1.727 1.00 0.00 C ATOM 177 CG1 ILE A 17 189.898 -5.819 2.434 1.00 0.00 C ATOM 178 CG2 ILE A 17 191.501 -7.749 2.498 1.00 0.00 C ATOM 179 CD1 ILE A 17 190.239 -5.320 3.821 1.00 0.00 C ATOM 0 H ILE A 17 191.001 -4.304 0.421 1.00 0.00 H new ATOM 0 HA ILE A 17 192.694 -5.346 2.540 1.00 0.00 H new ATOM 0 HB ILE A 17 190.730 -6.823 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 17 189.564 -4.978 1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 17 189.061 -6.514 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 17 190.655 -8.428 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 17 192.303 -8.251 1.957 1.00 0.00 H new ATOM 0 HG23 ILE A 17 191.858 -7.455 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 17 189.364 -4.840 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 17 190.544 -6.160 4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 17 191.055 -4.600 3.758 1.00 0.00 H new ATOM 191 N TYR A 18 194.398 -6.614 1.240 1.00 0.00 N ATOM 192 CA TYR A 18 195.469 -7.250 0.481 1.00 0.00 C ATOM 193 C TYR A 18 195.289 -8.768 0.468 1.00 0.00 C ATOM 194 O TYR A 18 194.875 -9.356 1.467 1.00 0.00 O ATOM 195 CB TYR A 18 196.828 -6.889 1.085 1.00 0.00 C ATOM 196 CG TYR A 18 197.912 -6.665 0.053 1.00 0.00 C ATOM 197 CD1 TYR A 18 197.771 -5.697 -0.934 1.00 0.00 C ATOM 198 CD2 TYR A 18 199.076 -7.423 0.065 1.00 0.00 C ATOM 199 CE1 TYR A 18 198.757 -5.491 -1.877 1.00 0.00 C ATOM 200 CE2 TYR A 18 200.068 -7.222 -0.876 1.00 0.00 C ATOM 201 CZ TYR A 18 199.905 -6.256 -1.845 1.00 0.00 C ATOM 202 OH TYR A 18 200.890 -6.053 -2.782 1.00 0.00 O ATOM 0 H TYR A 18 194.578 -6.540 2.241 1.00 0.00 H new ATOM 0 HA TYR A 18 195.428 -6.886 -0.546 1.00 0.00 H new ATOM 0 HB2 TYR A 18 196.720 -5.987 1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 18 197.140 -7.687 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 18 196.874 -5.096 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 18 199.208 -8.182 0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 18 198.631 -4.734 -2.637 1.00 0.00 H new ATOM 0 HE2 TYR A 18 200.967 -7.820 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 18 201.631 -6.673 -2.617 1.00 0.00 H new ATOM 212 N PRO A 19 195.595 -9.431 -0.664 1.00 0.00 N ATOM 213 CA PRO A 19 196.088 -8.791 -1.878 1.00 0.00 C ATOM 214 C PRO A 19 194.964 -8.428 -2.844 1.00 0.00 C ATOM 215 O PRO A 19 195.205 -7.835 -3.896 1.00 0.00 O ATOM 216 CB PRO A 19 196.975 -9.878 -2.472 1.00 0.00 C ATOM 217 CG PRO A 19 196.324 -11.166 -2.074 1.00 0.00 C ATOM 218 CD PRO A 19 195.480 -10.884 -0.848 1.00 0.00 C ATOM 0 HA PRO A 19 196.596 -7.847 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 19 197.040 -9.786 -3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 19 197.992 -9.813 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 19 195.706 -11.551 -2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 19 197.075 -11.925 -1.857 1.00 0.00 H new ATOM 0 HD2 PRO A 19 194.444 -11.186 -0.999 1.00 0.00 H new ATOM 0 HD3 PRO A 19 195.847 -11.427 0.023 1.00 0.00 H new ATOM 226 N ARG A 20 193.736 -8.786 -2.481 1.00 0.00 N ATOM 227 CA ARG A 20 192.582 -8.497 -3.310 1.00 0.00 C ATOM 228 C ARG A 20 191.289 -8.628 -2.513 1.00 0.00 C ATOM 229 O ARG A 20 190.742 -9.721 -2.367 1.00 0.00 O ATOM 230 CB ARG A 20 192.549 -9.428 -4.524 1.00 0.00 C ATOM 231 CG ARG A 20 192.725 -10.895 -4.171 1.00 0.00 C ATOM 232 CD ARG A 20 193.646 -11.600 -5.155 1.00 0.00 C ATOM 233 NE ARG A 20 193.951 -12.967 -4.736 1.00 0.00 N ATOM 234 CZ ARG A 20 193.124 -13.996 -4.907 1.00 0.00 C ATOM 235 NH1 ARG A 20 191.943 -13.819 -5.484 1.00 0.00 N ATOM 236 NH2 ARG A 20 193.479 -15.207 -4.495 1.00 0.00 N ATOM 0 H ARG A 20 193.519 -9.278 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 20 192.667 -7.467 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 20 191.600 -9.300 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 20 193.335 -9.133 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 20 193.133 -10.981 -3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 20 191.753 -11.388 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 20 193.179 -11.618 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 20 194.573 -11.035 -5.252 1.00 0.00 H new ATOM 0 HE ARG A 20 194.850 -13.142 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 20 191.664 -12.890 -5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 20 191.314 -14.612 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 20 194.385 -15.348 -4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 20 192.846 -15.996 -4.626 1.00 0.00 H new ATOM 250 N GLY A 21 190.806 -7.500 -2.000 1.00 0.00 N ATOM 251 CA GLY A 21 189.582 -7.497 -1.222 1.00 0.00 C ATOM 252 C GLY A 21 189.095 -6.093 -0.922 1.00 0.00 C ATOM 253 O GLY A 21 189.798 -5.117 -1.183 1.00 0.00 O ATOM 0 H GLY A 21 191.243 -6.585 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 21 188.808 -8.040 -1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 21 189.748 -8.030 -0.286 1.00 0.00 H new ATOM 257 N LEU A 22 187.890 -5.986 -0.373 1.00 0.00 N ATOM 258 CA LEU A 22 187.314 -4.688 -0.043 1.00 0.00 C ATOM 259 C LEU A 22 186.425 -4.776 1.192 1.00 0.00 C ATOM 260 O LEU A 22 185.575 -5.660 1.294 1.00 0.00 O ATOM 261 CB LEU A 22 186.506 -4.151 -1.226 1.00 0.00 C ATOM 262 CG LEU A 22 186.418 -2.626 -1.314 1.00 0.00 C ATOM 263 CD1 LEU A 22 185.854 -2.046 -0.026 1.00 0.00 C ATOM 264 CD2 LEU A 22 187.785 -2.031 -1.614 1.00 0.00 C ATOM 0 H LEU A 22 187.294 -6.782 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 22 188.135 -4.004 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 22 186.948 -4.528 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 185.495 -4.555 -1.169 1.00 0.00 H new ATOM 0 HG LEU A 22 185.743 -2.368 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 22 185.800 -0.961 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 22 184.855 -2.447 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 22 186.502 -2.314 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 22 187.704 -0.946 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 22 188.481 -2.300 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 22 188.151 -2.420 -2.564 1.00 0.00 H new ATOM 276 N ARG A 23 186.624 -3.850 2.125 1.00 0.00 N ATOM 277 CA ARG A 23 185.836 -3.816 3.352 1.00 0.00 C ATOM 278 C ARG A 23 185.045 -2.514 3.440 1.00 0.00 C ATOM 279 O ARG A 23 185.613 -1.427 3.336 1.00 0.00 O ATOM 280 CB ARG A 23 186.746 -3.959 4.573 1.00 0.00 C ATOM 281 CG ARG A 23 185.991 -4.025 5.891 1.00 0.00 C ATOM 282 CD ARG A 23 186.567 -3.058 6.915 1.00 0.00 C ATOM 283 NE ARG A 23 185.804 -3.063 8.161 1.00 0.00 N ATOM 284 CZ ARG A 23 185.861 -2.089 9.066 1.00 0.00 C ATOM 285 NH1 ARG A 23 186.638 -1.031 8.867 1.00 0.00 N ATOM 286 NH2 ARG A 23 185.136 -2.172 10.174 1.00 0.00 N ATOM 0 H ARG A 23 187.325 -3.112 2.054 1.00 0.00 H new ATOM 0 HA ARG A 23 185.136 -4.651 3.335 1.00 0.00 H new ATOM 0 HB2 ARG A 23 187.348 -4.861 4.463 1.00 0.00 H new ATOM 0 HB3 ARG A 23 187.437 -3.116 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 23 184.940 -3.792 5.721 1.00 0.00 H new ATOM 0 HG3 ARG A 23 186.033 -5.041 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 23 187.603 -3.325 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 23 186.575 -2.051 6.498 1.00 0.00 H new ATOM 0 HE ARG A 23 185.193 -3.858 8.348 1.00 0.00 H new ATOM 0 HH11 ARG A 23 187.196 -0.961 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 23 186.677 -0.288 9.565 1.00 0.00 H new ATOM 0 HH21 ARG A 23 184.536 -2.982 10.331 1.00 0.00 H new ATOM 0 HH22 ARG A 23 185.179 -1.426 10.869 1.00 0.00 H new ATOM 300 N VAL A 24 183.732 -2.632 3.622 1.00 0.00 N ATOM 301 CA VAL A 24 182.865 -1.463 3.713 1.00 0.00 C ATOM 302 C VAL A 24 182.010 -1.496 4.978 1.00 0.00 C ATOM 303 O VAL A 24 181.698 -2.566 5.502 1.00 0.00 O ATOM 304 CB VAL A 24 181.942 -1.358 2.482 1.00 0.00 C ATOM 305 CG1 VAL A 24 181.064 -0.119 2.562 1.00 0.00 C ATOM 306 CG2 VAL A 24 182.764 -1.355 1.201 1.00 0.00 C ATOM 0 H VAL A 24 183.247 -3.525 3.709 1.00 0.00 H new ATOM 0 HA VAL A 24 183.517 -0.590 3.750 1.00 0.00 H new ATOM 0 HB VAL A 24 181.288 -2.230 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 24 180.423 -0.070 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 24 180.446 -0.168 3.458 1.00 0.00 H new ATOM 0 HG13 VAL A 24 181.693 0.770 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 24 182.098 -1.280 0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 24 183.445 -0.504 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 24 183.339 -2.279 1.135 1.00 0.00 H new ATOM 316 N SER A 25 181.631 -0.314 5.461 1.00 0.00 N ATOM 317 CA SER A 25 180.806 -0.204 6.663 1.00 0.00 C ATOM 318 C SER A 25 179.971 1.074 6.638 1.00 0.00 C ATOM 319 O SER A 25 180.414 2.105 6.137 1.00 0.00 O ATOM 320 CB SER A 25 181.686 -0.228 7.914 1.00 0.00 C ATOM 321 OG SER A 25 182.951 -0.802 7.640 1.00 0.00 O ATOM 0 H SER A 25 181.882 0.580 5.039 1.00 0.00 H new ATOM 0 HA SER A 25 180.128 -1.057 6.687 1.00 0.00 H new ATOM 0 HB2 SER A 25 181.818 0.787 8.288 1.00 0.00 H new ATOM 0 HB3 SER A 25 181.189 -0.796 8.701 1.00 0.00 H new ATOM 0 HG SER A 25 183.493 -0.803 8.456 1.00 0.00 H new ATOM 327 N ILE A 26 178.758 0.997 7.181 1.00 0.00 N ATOM 328 CA ILE A 26 177.857 2.150 7.216 1.00 0.00 C ATOM 329 C ILE A 26 177.036 2.175 8.507 1.00 0.00 C ATOM 330 O ILE A 26 176.238 1.270 8.753 1.00 0.00 O ATOM 331 CB ILE A 26 176.874 2.128 6.030 1.00 0.00 C ATOM 332 CG1 ILE A 26 176.120 0.799 6.000 1.00 0.00 C ATOM 333 CG2 ILE A 26 177.608 2.361 4.720 1.00 0.00 C ATOM 334 CD1 ILE A 26 174.621 0.951 6.150 1.00 0.00 C ATOM 0 H ILE A 26 178.376 0.151 7.602 1.00 0.00 H new ATOM 0 HA ILE A 26 178.488 3.037 7.160 1.00 0.00 H new ATOM 0 HB ILE A 26 176.152 2.935 6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 26 176.333 0.291 5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 26 176.494 0.160 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 26 176.896 2.342 3.895 1.00 0.00 H new ATOM 0 HG22 ILE A 26 178.104 3.331 4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 26 178.352 1.577 4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 26 174.151 -0.032 6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 26 174.397 1.431 7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 26 174.234 1.564 5.336 1.00 0.00 H new ATOM 346 N PRO A 27 177.205 3.213 9.347 1.00 0.00 N ATOM 347 CA PRO A 27 176.458 3.338 10.602 1.00 0.00 C ATOM 348 C PRO A 27 174.972 3.035 10.424 1.00 0.00 C ATOM 349 O PRO A 27 174.263 3.752 9.716 1.00 0.00 O ATOM 350 CB PRO A 27 176.666 4.802 10.984 1.00 0.00 C ATOM 351 CG PRO A 27 177.990 5.157 10.403 1.00 0.00 C ATOM 352 CD PRO A 27 178.126 4.347 9.137 1.00 0.00 C ATOM 0 HA PRO A 27 176.801 2.632 11.358 1.00 0.00 H new ATOM 0 HB2 PRO A 27 175.874 5.433 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 27 176.659 4.934 12.066 1.00 0.00 H new ATOM 0 HG2 PRO A 27 178.048 6.224 10.190 1.00 0.00 H new ATOM 0 HG3 PRO A 27 178.795 4.927 11.101 1.00 0.00 H new ATOM 0 HD2 PRO A 27 177.851 4.929 8.258 1.00 0.00 H new ATOM 0 HD3 PRO A 27 179.151 4.008 8.987 1.00 0.00 H new ATOM 360 N ASP A 28 174.510 1.967 11.063 1.00 0.00 N ATOM 361 CA ASP A 28 173.114 1.560 10.972 1.00 0.00 C ATOM 362 C ASP A 28 172.233 2.388 11.899 1.00 0.00 C ATOM 363 O ASP A 28 172.630 2.738 13.009 1.00 0.00 O ATOM 364 CB ASP A 28 172.966 0.075 11.315 1.00 0.00 C ATOM 365 CG ASP A 28 171.538 -0.416 11.175 1.00 0.00 C ATOM 366 OD1 ASP A 28 170.758 0.226 10.439 1.00 0.00 O ATOM 367 OD2 ASP A 28 171.200 -1.443 11.799 1.00 0.00 O ATOM 0 H ASP A 28 175.085 1.365 11.652 1.00 0.00 H new ATOM 0 HA ASP A 28 172.789 1.729 9.945 1.00 0.00 H new ATOM 0 HB2 ASP A 28 173.613 -0.511 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 28 173.306 -0.094 12.337 1.00 0.00 H new ATOM 372 N ASP A 29 171.026 2.679 11.433 1.00 0.00 N ATOM 373 CA ASP A 29 170.062 3.446 12.208 1.00 0.00 C ATOM 374 C ASP A 29 168.700 2.770 12.142 1.00 0.00 C ATOM 375 O ASP A 29 167.687 3.408 11.858 1.00 0.00 O ATOM 376 CB ASP A 29 169.970 4.880 11.679 1.00 0.00 C ATOM 377 CG ASP A 29 169.755 5.893 12.787 1.00 0.00 C ATOM 378 OD1 ASP A 29 168.651 5.909 13.371 1.00 0.00 O ATOM 379 OD2 ASP A 29 170.691 6.670 13.070 1.00 0.00 O ATOM 0 H ASP A 29 170.690 2.392 10.514 1.00 0.00 H new ATOM 0 HA ASP A 29 170.392 3.485 13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 29 170.885 5.125 11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 29 169.150 4.949 10.964 1.00 0.00 H new ATOM 384 N GLY A 30 168.690 1.464 12.393 1.00 0.00 N ATOM 385 CA GLY A 30 167.461 0.709 12.345 1.00 0.00 C ATOM 386 C GLY A 30 166.839 0.731 10.966 1.00 0.00 C ATOM 387 O GLY A 30 165.619 0.817 10.827 1.00 0.00 O ATOM 0 H GLY A 30 169.518 0.917 12.629 1.00 0.00 H new ATOM 0 HA2 GLY A 30 167.657 -0.322 12.639 1.00 0.00 H new ATOM 0 HA3 GLY A 30 166.755 1.118 13.068 1.00 0.00 H new ATOM 391 N PHE A 31 167.686 0.661 9.943 1.00 0.00 N ATOM 392 CA PHE A 31 167.222 0.681 8.563 1.00 0.00 C ATOM 393 C PHE A 31 166.461 -0.598 8.215 1.00 0.00 C ATOM 394 O PHE A 31 165.474 -0.940 8.867 1.00 0.00 O ATOM 395 CB PHE A 31 168.409 0.877 7.613 1.00 0.00 C ATOM 396 CG PHE A 31 169.207 2.118 7.902 1.00 0.00 C ATOM 397 CD1 PHE A 31 168.569 3.322 8.158 1.00 0.00 C ATOM 398 CD2 PHE A 31 170.591 2.079 7.923 1.00 0.00 C ATOM 399 CE1 PHE A 31 169.298 4.464 8.429 1.00 0.00 C ATOM 400 CE2 PHE A 31 171.325 3.218 8.194 1.00 0.00 C ATOM 401 CZ PHE A 31 170.678 4.411 8.446 1.00 0.00 C ATOM 0 H PHE A 31 168.698 0.590 10.046 1.00 0.00 H new ATOM 0 HA PHE A 31 166.533 1.518 8.447 1.00 0.00 H new ATOM 0 HB2 PHE A 31 169.065 0.009 7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 31 168.041 0.921 6.588 1.00 0.00 H new ATOM 0 HD1 PHE A 31 167.490 3.368 8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 31 171.102 1.148 7.725 1.00 0.00 H new ATOM 0 HE1 PHE A 31 168.790 5.396 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 31 172.404 3.175 8.209 1.00 0.00 H new ATOM 0 HZ PHE A 31 171.250 5.302 8.656 1.00 0.00 H new ATOM 411 N SER A 32 166.920 -1.292 7.178 1.00 0.00 N ATOM 412 CA SER A 32 166.289 -2.517 6.726 1.00 0.00 C ATOM 413 C SER A 32 167.002 -3.036 5.488 1.00 0.00 C ATOM 414 O SER A 32 167.138 -4.244 5.301 1.00 0.00 O ATOM 415 CB SER A 32 164.805 -2.285 6.427 1.00 0.00 C ATOM 416 OG SER A 32 164.003 -3.301 7.001 1.00 0.00 O ATOM 0 H SER A 32 167.737 -1.018 6.632 1.00 0.00 H new ATOM 0 HA SER A 32 166.363 -3.261 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 32 164.500 -1.314 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 32 164.648 -2.260 5.349 1.00 0.00 H new ATOM 0 HG SER A 32 163.060 -3.128 6.797 1.00 0.00 H new ATOM 422 N LEU A 33 167.473 -2.116 4.646 1.00 0.00 N ATOM 423 CA LEU A 33 168.189 -2.519 3.434 1.00 0.00 C ATOM 424 C LEU A 33 169.365 -1.607 3.136 1.00 0.00 C ATOM 425 O LEU A 33 169.207 -0.397 3.033 1.00 0.00 O ATOM 426 CB LEU A 33 167.274 -2.530 2.213 1.00 0.00 C ATOM 427 CG LEU A 33 167.797 -3.376 1.051 1.00 0.00 C ATOM 428 CD1 LEU A 33 167.470 -4.845 1.261 1.00 0.00 C ATOM 429 CD2 LEU A 33 167.233 -2.886 -0.273 1.00 0.00 C ATOM 0 H LEU A 33 167.376 -1.109 4.775 1.00 0.00 H new ATOM 0 HA LEU A 33 168.553 -3.527 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 33 166.294 -2.905 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 33 167.133 -1.506 1.868 1.00 0.00 H new ATOM 0 HG LEU A 33 168.881 -3.269 1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 33 167.852 -5.426 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 167.934 -5.193 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 33 166.389 -4.971 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 33 167.620 -3.503 -1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 166.145 -2.953 -0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 33 167.529 -1.849 -0.433 1.00 0.00 H new ATOM 441 N PHE A 34 170.540 -2.204 2.973 1.00 0.00 N ATOM 442 CA PHE A 34 171.744 -1.455 2.655 1.00 0.00 C ATOM 443 C PHE A 34 172.313 -1.897 1.306 1.00 0.00 C ATOM 444 O PHE A 34 173.070 -2.864 1.228 1.00 0.00 O ATOM 445 CB PHE A 34 172.790 -1.655 3.747 1.00 0.00 C ATOM 446 CG PHE A 34 174.144 -1.113 3.386 1.00 0.00 C ATOM 447 CD1 PHE A 34 174.273 0.154 2.844 1.00 0.00 C ATOM 448 CD2 PHE A 34 175.285 -1.877 3.575 1.00 0.00 C ATOM 449 CE1 PHE A 34 175.512 0.651 2.497 1.00 0.00 C ATOM 450 CE2 PHE A 34 176.530 -1.385 3.232 1.00 0.00 C ATOM 451 CZ PHE A 34 176.643 -0.120 2.690 1.00 0.00 C ATOM 0 H PHE A 34 170.682 -3.211 3.057 1.00 0.00 H new ATOM 0 HA PHE A 34 171.485 -0.398 2.595 1.00 0.00 H new ATOM 0 HB2 PHE A 34 172.446 -1.172 4.662 1.00 0.00 H new ATOM 0 HB3 PHE A 34 172.879 -2.720 3.963 1.00 0.00 H new ATOM 0 HD1 PHE A 34 173.393 0.761 2.691 1.00 0.00 H new ATOM 0 HD2 PHE A 34 175.200 -2.868 3.995 1.00 0.00 H new ATOM 0 HE1 PHE A 34 175.598 1.641 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 34 177.412 -1.988 3.387 1.00 0.00 H new ATOM 0 HZ PHE A 34 177.614 0.267 2.417 1.00 0.00 H new ATOM 461 N ALA A 35 171.953 -1.175 0.251 1.00 0.00 N ATOM 462 CA ALA A 35 172.433 -1.485 -1.088 1.00 0.00 C ATOM 463 C ALA A 35 173.683 -0.673 -1.408 1.00 0.00 C ATOM 464 O ALA A 35 173.658 0.557 -1.387 1.00 0.00 O ATOM 465 CB ALA A 35 171.344 -1.221 -2.118 1.00 0.00 C ATOM 0 H ALA A 35 171.329 -0.370 0.299 1.00 0.00 H new ATOM 0 HA ALA A 35 172.692 -2.543 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 35 171.720 -1.458 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 35 170.477 -1.845 -1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 35 171.054 -0.171 -2.080 1.00 0.00 H new ATOM 471 N PHE A 36 174.778 -1.368 -1.686 1.00 0.00 N ATOM 472 CA PHE A 36 176.042 -0.711 -1.993 1.00 0.00 C ATOM 473 C PHE A 36 176.362 -0.795 -3.483 1.00 0.00 C ATOM 474 O PHE A 36 176.369 -1.878 -4.062 1.00 0.00 O ATOM 475 CB PHE A 36 177.170 -1.351 -1.181 1.00 0.00 C ATOM 476 CG PHE A 36 178.482 -0.633 -1.298 1.00 0.00 C ATOM 477 CD1 PHE A 36 178.639 0.640 -0.774 1.00 0.00 C ATOM 478 CD2 PHE A 36 179.560 -1.231 -1.928 1.00 0.00 C ATOM 479 CE1 PHE A 36 179.848 1.301 -0.878 1.00 0.00 C ATOM 480 CE2 PHE A 36 180.772 -0.575 -2.036 1.00 0.00 C ATOM 481 CZ PHE A 36 180.916 0.693 -1.510 1.00 0.00 C ATOM 0 H PHE A 36 174.817 -2.387 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 36 175.951 0.342 -1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 36 176.877 -1.384 -0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 36 177.300 -2.383 -1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 36 177.808 1.121 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 36 179.453 -2.223 -2.341 1.00 0.00 H new ATOM 0 HE1 PHE A 36 179.958 2.293 -0.465 1.00 0.00 H new ATOM 0 HE2 PHE A 36 181.604 -1.053 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 36 181.861 1.209 -1.592 1.00 0.00 H new ATOM 491 N HIS A 37 176.631 0.358 -4.090 1.00 0.00 N ATOM 492 CA HIS A 37 176.962 0.434 -5.502 1.00 0.00 C ATOM 493 C HIS A 37 178.266 1.204 -5.669 1.00 0.00 C ATOM 494 O HIS A 37 178.361 2.346 -5.225 1.00 0.00 O ATOM 495 CB HIS A 37 175.840 1.149 -6.243 1.00 0.00 C ATOM 496 CG HIS A 37 175.189 0.328 -7.317 1.00 0.00 C ATOM 497 ND1 HIS A 37 175.279 -1.048 -7.376 1.00 0.00 N ATOM 498 CD2 HIS A 37 174.415 0.695 -8.367 1.00 0.00 C ATOM 499 CE1 HIS A 37 174.592 -1.490 -8.413 1.00 0.00 C ATOM 500 NE2 HIS A 37 174.058 -0.454 -9.030 1.00 0.00 N ATOM 0 H HIS A 37 176.625 1.261 -3.615 1.00 0.00 H new ATOM 0 HA HIS A 37 177.080 -0.569 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS A 37 175.080 1.452 -5.523 1.00 0.00 H new ATOM 0 HB3 HIS A 37 176.238 2.060 -6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 37 174.132 1.703 -8.633 1.00 0.00 H new ATOM 0 HE1 HIS A 37 174.485 -2.524 -8.706 1.00 0.00 H new ATOM 0 HE2 HIS A 37 173.474 -0.499 -9.865 1.00 0.00 H new ATOM 509 N GLY A 38 179.278 0.594 -6.287 1.00 0.00 N ATOM 510 CA GLY A 38 180.539 1.305 -6.437 1.00 0.00 C ATOM 511 C GLY A 38 181.427 0.767 -7.535 1.00 0.00 C ATOM 512 O GLY A 38 181.557 -0.443 -7.709 1.00 0.00 O ATOM 0 H GLY A 38 179.252 -0.349 -6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 38 180.329 2.356 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 38 181.082 1.262 -5.493 1.00 0.00 H new ATOM 516 N LYS A 39 182.053 1.683 -8.267 1.00 0.00 N ATOM 517 CA LYS A 39 182.956 1.321 -9.351 1.00 0.00 C ATOM 518 C LYS A 39 184.371 1.808 -9.053 1.00 0.00 C ATOM 519 O LYS A 39 184.560 2.849 -8.421 1.00 0.00 O ATOM 520 CB LYS A 39 182.468 1.914 -10.675 1.00 0.00 C ATOM 521 CG LYS A 39 182.657 0.986 -11.864 1.00 0.00 C ATOM 522 CD LYS A 39 184.106 0.954 -12.322 1.00 0.00 C ATOM 523 CE LYS A 39 184.209 0.878 -13.838 1.00 0.00 C ATOM 524 NZ LYS A 39 184.441 -0.514 -14.310 1.00 0.00 N ATOM 0 H LYS A 39 181.949 2.688 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 39 182.969 0.234 -9.436 1.00 0.00 H new ATOM 0 HB2 LYS A 39 181.411 2.163 -10.584 1.00 0.00 H new ATOM 0 HB3 LYS A 39 183.000 2.846 -10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 39 182.337 -0.021 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 39 182.022 1.313 -12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 39 184.621 1.846 -11.965 1.00 0.00 H new ATOM 0 HD3 LYS A 39 184.610 0.096 -11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 39 183.292 1.264 -14.284 1.00 0.00 H new ATOM 0 HE3 LYS A 39 185.023 1.517 -14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 184.505 -0.522 -15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 185.329 -0.874 -13.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 183.652 -1.119 -14.007 1.00 0.00 H new ATOM 538 N LEU A 40 185.359 1.047 -9.509 1.00 0.00 N ATOM 539 CA LEU A 40 186.757 1.398 -9.291 1.00 0.00 C ATOM 540 C LEU A 40 187.278 2.280 -10.420 1.00 0.00 C ATOM 541 O LEU A 40 187.059 1.991 -11.597 1.00 0.00 O ATOM 542 CB LEU A 40 187.610 0.132 -9.182 1.00 0.00 C ATOM 543 CG LEU A 40 189.068 0.366 -8.786 1.00 0.00 C ATOM 544 CD1 LEU A 40 189.153 0.979 -7.398 1.00 0.00 C ATOM 545 CD2 LEU A 40 189.849 -0.939 -8.841 1.00 0.00 C ATOM 0 H LEU A 40 185.218 0.183 -10.032 1.00 0.00 H new ATOM 0 HA LEU A 40 186.825 1.956 -8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 40 187.153 -0.534 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 40 187.589 -0.386 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 40 189.510 1.064 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU A 40 190.198 1.138 -7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 188.627 1.934 -7.389 1.00 0.00 H new ATOM 0 HD13 LEU A 40 188.694 0.305 -6.674 1.00 0.00 H new ATOM 0 HD21 LEU A 40 190.885 -0.755 -8.556 1.00 0.00 H new ATOM 0 HD22 LEU A 40 189.405 -1.658 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 40 189.817 -1.340 -9.854 1.00 0.00 H new ATOM 557 N ASN A 41 187.964 3.363 -10.052 1.00 0.00 N ATOM 558 CA ASN A 41 188.521 4.301 -11.025 1.00 0.00 C ATOM 559 C ASN A 41 187.509 4.624 -12.122 1.00 0.00 C ATOM 560 O ASN A 41 187.733 4.332 -13.296 1.00 0.00 O ATOM 561 CB ASN A 41 189.808 3.739 -11.640 1.00 0.00 C ATOM 562 CG ASN A 41 189.589 2.420 -12.355 1.00 0.00 C ATOM 563 OD1 ASN A 41 189.509 1.366 -11.725 1.00 0.00 O ATOM 564 ND2 ASN A 41 189.493 2.473 -13.679 1.00 0.00 N ATOM 0 H ASN A 41 188.148 3.612 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 41 188.758 5.225 -10.498 1.00 0.00 H new ATOM 0 HB2 ASN A 41 190.217 4.465 -12.343 1.00 0.00 H new ATOM 0 HB3 ASN A 41 190.551 3.602 -10.855 1.00 0.00 H new ATOM 0 HD21 ASN A 41 189.347 1.617 -14.214 1.00 0.00 H new ATOM 0 HD22 ASN A 41 189.565 3.370 -14.160 1.00 0.00 H new ATOM 571 N GLU A 42 186.398 5.236 -11.725 1.00 0.00 N ATOM 572 CA GLU A 42 185.346 5.613 -12.657 1.00 0.00 C ATOM 573 C GLU A 42 184.176 6.238 -11.911 1.00 0.00 C ATOM 574 O GLU A 42 183.447 5.560 -11.188 1.00 0.00 O ATOM 575 CB GLU A 42 184.857 4.407 -13.459 1.00 0.00 C ATOM 576 CG GLU A 42 183.783 4.769 -14.469 1.00 0.00 C ATOM 577 CD GLU A 42 183.319 3.577 -15.284 1.00 0.00 C ATOM 578 OE1 GLU A 42 184.062 3.154 -16.193 1.00 0.00 O ATOM 579 OE2 GLU A 42 182.211 3.067 -15.012 1.00 0.00 O ATOM 0 H GLU A 42 186.204 5.482 -10.754 1.00 0.00 H new ATOM 0 HA GLU A 42 185.765 6.342 -13.351 1.00 0.00 H new ATOM 0 HB2 GLU A 42 185.702 3.956 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 42 184.466 3.655 -12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 42 182.929 5.201 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 42 184.166 5.536 -15.141 1.00 0.00 H new ATOM 586 N GLU A 43 184.014 7.537 -12.095 1.00 0.00 N ATOM 587 CA GLU A 43 182.940 8.281 -11.446 1.00 0.00 C ATOM 588 C GLU A 43 181.576 7.680 -11.765 1.00 0.00 C ATOM 589 O GLU A 43 181.477 6.571 -12.291 1.00 0.00 O ATOM 590 CB GLU A 43 182.974 9.748 -11.879 1.00 0.00 C ATOM 591 CG GLU A 43 184.334 10.392 -11.699 1.00 0.00 C ATOM 592 CD GLU A 43 184.376 11.822 -12.200 1.00 0.00 C ATOM 593 OE1 GLU A 43 183.895 12.072 -13.326 1.00 0.00 O ATOM 594 OE2 GLU A 43 184.889 12.693 -11.466 1.00 0.00 O ATOM 0 H GLU A 43 184.615 8.105 -12.692 1.00 0.00 H new ATOM 0 HA GLU A 43 183.097 8.218 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 43 182.682 9.818 -12.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 182.235 10.307 -11.304 1.00 0.00 H new ATOM 0 HG2 GLU A 43 184.603 10.373 -10.643 1.00 0.00 H new ATOM 0 HG3 GLU A 43 185.083 9.804 -12.229 1.00 0.00 H new ATOM 656 N GLU A 48 174.619 4.458 -11.020 1.00 0.00 N ATOM 657 CA GLU A 48 175.307 3.620 -11.990 1.00 0.00 C ATOM 658 C GLU A 48 175.655 2.263 -11.376 1.00 0.00 C ATOM 659 O GLU A 48 175.998 2.173 -10.197 1.00 0.00 O ATOM 660 CB GLU A 48 176.569 4.338 -12.489 1.00 0.00 C ATOM 661 CG GLU A 48 177.678 3.409 -12.953 1.00 0.00 C ATOM 662 CD GLU A 48 177.256 2.532 -14.116 1.00 0.00 C ATOM 663 OE1 GLU A 48 176.748 3.077 -15.118 1.00 0.00 O ATOM 664 OE2 GLU A 48 177.436 1.299 -14.025 1.00 0.00 O ATOM 0 HA GLU A 48 174.648 3.441 -12.840 1.00 0.00 H new ATOM 0 HB2 GLU A 48 176.295 4.997 -13.313 1.00 0.00 H new ATOM 0 HB3 GLU A 48 176.953 4.971 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 48 178.545 4.002 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 48 177.990 2.778 -12.121 1.00 0.00 H new ATOM 671 N ALA A 49 175.557 1.212 -12.185 1.00 0.00 N ATOM 672 CA ALA A 49 175.851 -0.143 -11.730 1.00 0.00 C ATOM 673 C ALA A 49 177.202 -0.223 -11.027 1.00 0.00 C ATOM 674 O ALA A 49 177.327 -0.842 -9.970 1.00 0.00 O ATOM 675 CB ALA A 49 175.810 -1.110 -12.903 1.00 0.00 C ATOM 0 H ALA A 49 175.275 1.274 -13.163 1.00 0.00 H new ATOM 0 HA ALA A 49 175.086 -0.423 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 49 176.031 -2.118 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 49 174.818 -1.092 -13.355 1.00 0.00 H new ATOM 0 HB3 ALA A 49 176.552 -0.814 -13.645 1.00 0.00 H new ATOM 681 N GLY A 50 178.212 0.400 -11.623 1.00 0.00 N ATOM 682 CA GLY A 50 179.541 0.383 -11.047 1.00 0.00 C ATOM 683 C GLY A 50 180.110 -1.018 -10.964 1.00 0.00 C ATOM 684 O GLY A 50 180.216 -1.714 -11.975 1.00 0.00 O ATOM 0 H GLY A 50 178.132 0.918 -12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 50 180.203 1.007 -11.647 1.00 0.00 H new ATOM 0 HA3 GLY A 50 179.508 0.820 -10.049 1.00 0.00 H new ATOM 688 N HIS A 51 180.466 -1.434 -9.757 1.00 0.00 N ATOM 689 CA HIS A 51 181.018 -2.763 -9.537 1.00 0.00 C ATOM 690 C HIS A 51 180.426 -3.383 -8.281 1.00 0.00 C ATOM 691 O HIS A 51 179.595 -4.286 -8.354 1.00 0.00 O ATOM 692 CB HIS A 51 182.544 -2.704 -9.430 1.00 0.00 C ATOM 693 CG HIS A 51 183.250 -3.249 -10.633 1.00 0.00 C ATOM 694 ND1 HIS A 51 184.287 -4.153 -10.554 1.00 0.00 N ATOM 695 CD2 HIS A 51 183.063 -3.010 -11.953 1.00 0.00 C ATOM 696 CE1 HIS A 51 184.709 -4.447 -11.771 1.00 0.00 C ATOM 697 NE2 HIS A 51 183.981 -3.768 -12.638 1.00 0.00 N ATOM 0 H HIS A 51 180.382 -0.868 -8.913 1.00 0.00 H new ATOM 0 HA HIS A 51 180.756 -3.387 -10.392 1.00 0.00 H new ATOM 0 HB2 HIS A 51 182.850 -1.669 -9.277 1.00 0.00 H new ATOM 0 HB3 HIS A 51 182.860 -3.263 -8.549 1.00 0.00 H new ATOM 0 HD2 HIS A 51 182.329 -2.347 -12.386 1.00 0.00 H new ATOM 0 HE1 HIS A 51 185.512 -5.127 -12.015 1.00 0.00 H new ATOM 0 HE2 HIS A 51 184.084 -3.801 -13.652 1.00 0.00 H new ATOM 706 N TRP A 52 180.848 -2.880 -7.127 1.00 0.00 N ATOM 707 CA TRP A 52 180.344 -3.376 -5.856 1.00 0.00 C ATOM 708 C TRP A 52 178.840 -3.162 -5.775 1.00 0.00 C ATOM 709 O TRP A 52 178.379 -2.131 -5.293 1.00 0.00 O ATOM 710 CB TRP A 52 181.045 -2.670 -4.696 1.00 0.00 C ATOM 711 CG TRP A 52 182.501 -2.998 -4.604 1.00 0.00 C ATOM 712 CD1 TRP A 52 183.049 -4.181 -4.197 1.00 0.00 C ATOM 713 CD2 TRP A 52 183.599 -2.137 -4.929 1.00 0.00 C ATOM 714 NE1 TRP A 52 184.418 -4.109 -4.249 1.00 0.00 N ATOM 715 CE2 TRP A 52 184.782 -2.865 -4.695 1.00 0.00 C ATOM 716 CE3 TRP A 52 183.697 -0.825 -5.396 1.00 0.00 C ATOM 717 CZ2 TRP A 52 186.045 -2.321 -4.912 1.00 0.00 C ATOM 718 CZ3 TRP A 52 184.952 -0.286 -5.611 1.00 0.00 C ATOM 719 CH2 TRP A 52 186.111 -1.033 -5.369 1.00 0.00 C ATOM 0 H TRP A 52 181.536 -2.131 -7.047 1.00 0.00 H new ATOM 0 HA TRP A 52 180.552 -4.444 -5.786 1.00 0.00 H new ATOM 0 HB2 TRP A 52 180.928 -1.592 -4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 52 180.557 -2.946 -3.762 1.00 0.00 H new ATOM 0 HD1 TRP A 52 182.487 -5.047 -3.880 1.00 0.00 H new ATOM 0 HE1 TRP A 52 185.061 -4.860 -3.997 1.00 0.00 H new ATOM 0 HE3 TRP A 52 182.808 -0.241 -5.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 186.941 -2.895 -4.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 185.040 0.728 -5.972 1.00 0.00 H new ATOM 0 HH2 TRP A 52 187.077 -0.584 -5.547 1.00 0.00 H new ATOM 730 N ALA A 53 178.087 -4.144 -6.272 1.00 0.00 N ATOM 731 CA ALA A 53 176.629 -4.083 -6.274 1.00 0.00 C ATOM 732 C ALA A 53 176.034 -5.222 -5.457 1.00 0.00 C ATOM 733 O ALA A 53 175.857 -6.329 -5.966 1.00 0.00 O ATOM 734 CB ALA A 53 176.102 -4.123 -7.700 1.00 0.00 C ATOM 0 H ALA A 53 178.469 -4.997 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 53 176.327 -3.142 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 53 175.013 -4.077 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 53 176.495 -3.272 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 53 176.420 -5.049 -8.180 1.00 0.00 H new ATOM 740 N ARG A 54 175.745 -4.963 -4.188 1.00 0.00 N ATOM 741 CA ARG A 54 175.197 -5.990 -3.322 1.00 0.00 C ATOM 742 C ARG A 54 174.232 -5.414 -2.285 1.00 0.00 C ATOM 743 O ARG A 54 174.569 -4.481 -1.555 1.00 0.00 O ATOM 744 CB ARG A 54 176.346 -6.713 -2.634 1.00 0.00 C ATOM 745 CG ARG A 54 175.915 -7.924 -1.822 1.00 0.00 C ATOM 746 CD ARG A 54 176.383 -9.221 -2.464 1.00 0.00 C ATOM 747 NE ARG A 54 176.083 -10.384 -1.633 1.00 0.00 N ATOM 748 CZ ARG A 54 174.888 -10.966 -1.573 1.00 0.00 C ATOM 749 NH1 ARG A 54 173.876 -10.494 -2.291 1.00 0.00 N ATOM 750 NH2 ARG A 54 174.704 -12.022 -0.792 1.00 0.00 N ATOM 0 H ARG A 54 175.881 -4.056 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 54 174.623 -6.687 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 54 177.066 -7.031 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 54 176.862 -6.012 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 54 176.320 -7.850 -0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 54 174.829 -7.934 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 54 175.904 -9.337 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 54 177.457 -9.170 -2.642 1.00 0.00 H new ATOM 0 HE ARG A 54 176.835 -10.774 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 54 174.013 -9.681 -2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 54 172.962 -10.944 -2.241 1.00 0.00 H new ATOM 0 HH21 ARG A 54 175.478 -12.388 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 54 173.788 -12.469 -0.746 1.00 0.00 H new ATOM 764 N ASP A 55 173.033 -5.992 -2.221 1.00 0.00 N ATOM 765 CA ASP A 55 172.010 -5.563 -1.274 1.00 0.00 C ATOM 766 C ASP A 55 172.103 -6.376 0.013 1.00 0.00 C ATOM 767 O ASP A 55 172.048 -7.606 -0.017 1.00 0.00 O ATOM 768 CB ASP A 55 170.622 -5.727 -1.894 1.00 0.00 C ATOM 769 CG ASP A 55 170.443 -7.064 -2.585 1.00 0.00 C ATOM 770 OD1 ASP A 55 170.369 -8.092 -1.882 1.00 0.00 O ATOM 771 OD2 ASP A 55 170.375 -7.082 -3.834 1.00 0.00 O ATOM 0 H ASP A 55 172.747 -6.766 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 55 172.174 -4.512 -1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 55 169.866 -5.621 -1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 55 170.453 -4.926 -2.613 1.00 0.00 H new ATOM 776 N ILE A 56 172.253 -5.690 1.141 1.00 0.00 N ATOM 777 CA ILE A 56 172.362 -6.364 2.431 1.00 0.00 C ATOM 778 C ILE A 56 171.101 -6.171 3.267 1.00 0.00 C ATOM 779 O ILE A 56 170.402 -5.167 3.133 1.00 0.00 O ATOM 780 CB ILE A 56 173.577 -5.857 3.232 1.00 0.00 C ATOM 781 CG1 ILE A 56 174.801 -5.732 2.324 1.00 0.00 C ATOM 782 CG2 ILE A 56 173.869 -6.788 4.399 1.00 0.00 C ATOM 783 CD1 ILE A 56 175.982 -5.064 2.993 1.00 0.00 C ATOM 0 H ILE A 56 172.302 -4.672 1.189 1.00 0.00 H new ATOM 0 HA ILE A 56 172.493 -7.425 2.218 1.00 0.00 H new ATOM 0 HB ILE A 56 173.343 -4.870 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 56 175.098 -6.726 1.988 1.00 0.00 H new ATOM 0 HG13 ILE A 56 174.528 -5.164 1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 56 174.730 -6.416 4.955 1.00 0.00 H new ATOM 0 HG22 ILE A 56 173.002 -6.829 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 174.085 -7.788 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 56 176.814 -5.009 2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 56 175.702 -4.057 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 56 176.281 -5.644 3.866 1.00 0.00 H new ATOM 795 N THR A 57 170.818 -7.142 4.130 1.00 0.00 N ATOM 796 CA THR A 57 169.645 -7.084 4.994 1.00 0.00 C ATOM 797 C THR A 57 169.965 -7.626 6.384 1.00 0.00 C ATOM 798 O THR A 57 169.100 -8.185 7.058 1.00 0.00 O ATOM 799 CB THR A 57 168.492 -7.878 4.379 1.00 0.00 C ATOM 800 OG1 THR A 57 168.755 -9.270 4.436 1.00 0.00 O ATOM 801 CG2 THR A 57 168.222 -7.521 2.934 1.00 0.00 C ATOM 0 H THR A 57 171.387 -7.980 4.249 1.00 0.00 H new ATOM 0 HA THR A 57 169.348 -6.040 5.090 1.00 0.00 H new ATOM 0 HB THR A 57 167.614 -7.617 4.970 1.00 0.00 H new ATOM 0 HG1 THR A 57 168.005 -9.761 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 57 167.392 -8.121 2.560 1.00 0.00 H new ATOM 0 HG22 THR A 57 167.967 -6.464 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 57 169.112 -7.721 2.337 1.00 0.00 H new ATOM 809 N LYS A 58 171.216 -7.460 6.805 1.00 0.00 N ATOM 810 CA LYS A 58 171.653 -7.934 8.113 1.00 0.00 C ATOM 811 C LYS A 58 172.825 -7.102 8.630 1.00 0.00 C ATOM 812 O LYS A 58 173.983 -7.401 8.338 1.00 0.00 O ATOM 813 CB LYS A 58 172.055 -9.408 8.034 1.00 0.00 C ATOM 814 CG LYS A 58 172.929 -9.736 6.834 1.00 0.00 C ATOM 815 CD LYS A 58 173.206 -11.227 6.739 1.00 0.00 C ATOM 816 CE LYS A 58 174.368 -11.520 5.802 1.00 0.00 C ATOM 817 NZ LYS A 58 173.902 -11.989 4.468 1.00 0.00 N ATOM 0 H LYS A 58 171.944 -7.001 6.258 1.00 0.00 H new ATOM 0 HA LYS A 58 170.820 -7.827 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 58 172.587 -9.681 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 58 171.154 -10.020 7.995 1.00 0.00 H new ATOM 0 HG2 LYS A 58 172.438 -9.397 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 173.871 -9.194 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 58 173.429 -11.621 7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 58 172.313 -11.742 6.385 1.00 0.00 H new ATOM 0 HE2 LYS A 58 174.971 -10.620 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 58 175.012 -12.278 6.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 174.724 -12.178 3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 173.348 -12.862 4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 173.308 -11.256 4.030 1.00 0.00 H new ATOM 831 N PRO A 59 172.539 -6.040 9.404 1.00 0.00 N ATOM 832 CA PRO A 59 173.578 -5.163 9.958 1.00 0.00 C ATOM 833 C PRO A 59 174.578 -5.917 10.825 1.00 0.00 C ATOM 834 O PRO A 59 174.360 -7.073 11.186 1.00 0.00 O ATOM 835 CB PRO A 59 172.796 -4.165 10.817 1.00 0.00 C ATOM 836 CG PRO A 59 171.404 -4.205 10.287 1.00 0.00 C ATOM 837 CD PRO A 59 171.187 -5.609 9.799 1.00 0.00 C ATOM 0 HA PRO A 59 174.168 -4.700 9.167 1.00 0.00 H new ATOM 0 HB2 PRO A 59 172.825 -4.444 11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 59 173.218 -3.163 10.741 1.00 0.00 H new ATOM 0 HG2 PRO A 59 170.684 -3.946 11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 59 171.274 -3.486 9.478 1.00 0.00 H new ATOM 0 HD2 PRO A 59 170.773 -6.247 10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 59 170.493 -5.641 8.959 1.00 0.00 H new ATOM 845 N LYS A 60 175.665 -5.240 11.172 1.00 0.00 N ATOM 846 CA LYS A 60 176.697 -5.826 12.017 1.00 0.00 C ATOM 847 C LYS A 60 176.635 -5.211 13.411 1.00 0.00 C ATOM 848 O LYS A 60 177.656 -5.031 14.075 1.00 0.00 O ATOM 849 CB LYS A 60 178.084 -5.612 11.403 1.00 0.00 C ATOM 850 CG LYS A 60 178.952 -6.861 11.416 1.00 0.00 C ATOM 851 CD LYS A 60 180.394 -6.536 11.771 1.00 0.00 C ATOM 852 CE LYS A 60 181.092 -7.721 12.418 1.00 0.00 C ATOM 853 NZ LYS A 60 182.481 -7.893 11.911 1.00 0.00 N ATOM 0 H LYS A 60 175.855 -4.281 10.880 1.00 0.00 H new ATOM 0 HA LYS A 60 176.519 -6.899 12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 60 177.969 -5.270 10.375 1.00 0.00 H new ATOM 0 HB3 LYS A 60 178.595 -4.818 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 60 178.552 -7.576 12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 60 178.917 -7.340 10.437 1.00 0.00 H new ATOM 0 HD2 LYS A 60 180.934 -6.242 10.871 1.00 0.00 H new ATOM 0 HD3 LYS A 60 180.419 -5.683 12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 60 181.115 -7.583 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 60 180.520 -8.629 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 182.922 -8.712 12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 182.458 -8.051 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 183.035 -7.037 12.118 1.00 0.00 H new ATOM 867 N GLU A 61 175.415 -4.888 13.838 1.00 0.00 N ATOM 868 CA GLU A 61 175.172 -4.285 15.146 1.00 0.00 C ATOM 869 C GLU A 61 175.436 -2.791 15.118 1.00 0.00 C ATOM 870 O GLU A 61 176.546 -2.333 15.389 1.00 0.00 O ATOM 871 CB GLU A 61 176.017 -4.956 16.235 1.00 0.00 C ATOM 872 CG GLU A 61 175.386 -4.895 17.616 1.00 0.00 C ATOM 873 CD GLU A 61 175.369 -6.245 18.309 1.00 0.00 C ATOM 874 OE1 GLU A 61 176.460 -6.798 18.559 1.00 0.00 O ATOM 875 OE2 GLU A 61 174.263 -6.747 18.602 1.00 0.00 O ATOM 0 H GLU A 61 174.569 -5.037 13.288 1.00 0.00 H new ATOM 0 HA GLU A 61 174.121 -4.443 15.386 1.00 0.00 H new ATOM 0 HB2 GLU A 61 176.181 -5.999 15.965 1.00 0.00 H new ATOM 0 HB3 GLU A 61 176.996 -4.478 16.270 1.00 0.00 H new ATOM 0 HG2 GLU A 61 175.935 -4.182 18.231 1.00 0.00 H new ATOM 0 HG3 GLU A 61 174.365 -4.522 17.529 1.00 0.00 H new ATOM 882 N GLY A 62 174.399 -2.036 14.769 1.00 0.00 N ATOM 883 CA GLY A 62 174.525 -0.599 14.688 1.00 0.00 C ATOM 884 C GLY A 62 175.354 -0.173 13.497 1.00 0.00 C ATOM 885 O GLY A 62 175.522 1.019 13.244 1.00 0.00 O ATOM 0 H GLY A 62 173.473 -2.398 14.541 1.00 0.00 H new ATOM 0 HA2 GLY A 62 173.534 -0.151 14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 62 174.983 -0.222 15.603 1.00 0.00 H new ATOM 889 N ARG A 63 175.876 -1.152 12.758 1.00 0.00 N ATOM 890 CA ARG A 63 176.693 -0.854 11.585 1.00 0.00 C ATOM 891 C ARG A 63 176.723 -2.024 10.610 1.00 0.00 C ATOM 892 O ARG A 63 177.111 -3.131 10.978 1.00 0.00 O ATOM 893 CB ARG A 63 178.117 -0.499 12.013 1.00 0.00 C ATOM 894 CG ARG A 63 178.762 0.579 11.156 1.00 0.00 C ATOM 895 CD ARG A 63 179.078 1.827 11.967 1.00 0.00 C ATOM 896 NE ARG A 63 180.279 1.665 12.782 1.00 0.00 N ATOM 897 CZ ARG A 63 180.587 2.450 13.812 1.00 0.00 C ATOM 898 NH1 ARG A 63 179.785 3.450 14.157 1.00 0.00 N ATOM 899 NH2 ARG A 63 181.699 2.235 14.500 1.00 0.00 N ATOM 0 H ARG A 63 175.749 -2.146 12.948 1.00 0.00 H new ATOM 0 HA ARG A 63 176.242 -0.003 11.075 1.00 0.00 H new ATOM 0 HB2 ARG A 63 178.103 -0.166 13.051 1.00 0.00 H new ATOM 0 HB3 ARG A 63 178.733 -1.398 11.975 1.00 0.00 H new ATOM 0 HG2 ARG A 63 179.679 0.191 10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 63 178.095 0.838 10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 63 179.210 2.673 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 63 178.232 2.063 12.612 1.00 0.00 H new ATOM 0 HE ARG A 63 180.919 0.906 12.548 1.00 0.00 H new ATOM 0 HH11 ARG A 63 178.927 3.620 13.632 1.00 0.00 H new ATOM 0 HH12 ARG A 63 180.026 4.048 14.947 1.00 0.00 H new ATOM 0 HH21 ARG A 63 182.319 1.468 14.240 1.00 0.00 H new ATOM 0 HH22 ARG A 63 181.935 2.837 15.289 1.00 0.00 H new ATOM 913 N TRP A 64 176.342 -1.780 9.356 1.00 0.00 N ATOM 914 CA TRP A 64 176.370 -2.825 8.354 1.00 0.00 C ATOM 915 C TRP A 64 177.799 -3.059 7.896 1.00 0.00 C ATOM 916 O TRP A 64 178.647 -2.167 7.985 1.00 0.00 O ATOM 917 CB TRP A 64 175.507 -2.464 7.150 1.00 0.00 C ATOM 918 CG TRP A 64 174.101 -2.061 7.486 1.00 0.00 C ATOM 919 CD1 TRP A 64 173.700 -0.987 8.229 1.00 0.00 C ATOM 920 CD2 TRP A 64 172.902 -2.731 7.076 1.00 0.00 C ATOM 921 NE1 TRP A 64 172.329 -0.953 8.307 1.00 0.00 N ATOM 922 CE2 TRP A 64 171.816 -2.011 7.607 1.00 0.00 C ATOM 923 CE3 TRP A 64 172.642 -3.873 6.310 1.00 0.00 C ATOM 924 CZ2 TRP A 64 170.492 -2.395 7.398 1.00 0.00 C ATOM 925 CZ3 TRP A 64 171.329 -4.252 6.103 1.00 0.00 C ATOM 926 CH2 TRP A 64 170.269 -3.514 6.645 1.00 0.00 C ATOM 0 H TRP A 64 176.015 -0.874 9.020 1.00 0.00 H new ATOM 0 HA TRP A 64 175.969 -3.733 8.805 1.00 0.00 H new ATOM 0 HB2 TRP A 64 175.985 -1.648 6.609 1.00 0.00 H new ATOM 0 HB3 TRP A 64 175.474 -3.318 6.474 1.00 0.00 H new ATOM 0 HD1 TRP A 64 174.364 -0.269 8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 64 171.782 -0.252 8.806 1.00 0.00 H new ATOM 0 HE3 TRP A 64 173.453 -4.448 5.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 169.673 -1.829 7.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 171.117 -5.132 5.514 1.00 0.00 H new ATOM 0 HH2 TRP A 64 169.254 -3.836 6.464 1.00 0.00 H new ATOM 937 N THR A 65 178.059 -4.261 7.408 1.00 0.00 N ATOM 938 CA THR A 65 179.388 -4.625 6.937 1.00 0.00 C ATOM 939 C THR A 65 179.326 -5.352 5.598 1.00 0.00 C ATOM 940 O THR A 65 178.712 -6.413 5.485 1.00 0.00 O ATOM 941 CB THR A 65 180.094 -5.504 7.972 1.00 0.00 C ATOM 942 OG1 THR A 65 179.910 -4.987 9.278 1.00 0.00 O ATOM 943 CG2 THR A 65 181.584 -5.628 7.735 1.00 0.00 C ATOM 0 H THR A 65 177.365 -5.005 7.327 1.00 0.00 H new ATOM 0 HA THR A 65 179.954 -3.704 6.797 1.00 0.00 H new ATOM 0 HB THR A 65 179.642 -6.490 7.869 1.00 0.00 H new ATOM 0 HG1 THR A 65 180.748 -4.587 9.593 1.00 0.00 H new ATOM 0 HG21 THR A 65 182.023 -6.264 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 65 181.761 -6.069 6.754 1.00 0.00 H new ATOM 0 HG23 THR A 65 182.042 -4.640 7.776 1.00 0.00 H new ATOM 951 N PHE A 66 179.977 -4.781 4.594 1.00 0.00 N ATOM 952 CA PHE A 66 180.011 -5.380 3.264 1.00 0.00 C ATOM 953 C PHE A 66 181.450 -5.650 2.836 1.00 0.00 C ATOM 954 O PHE A 66 182.192 -4.726 2.502 1.00 0.00 O ATOM 955 CB PHE A 66 179.324 -4.466 2.246 1.00 0.00 C ATOM 956 CG PHE A 66 179.319 -5.028 0.851 1.00 0.00 C ATOM 957 CD1 PHE A 66 178.821 -6.297 0.604 1.00 0.00 C ATOM 958 CD2 PHE A 66 179.814 -4.288 -0.209 1.00 0.00 C ATOM 959 CE1 PHE A 66 178.817 -6.818 -0.677 1.00 0.00 C ATOM 960 CE2 PHE A 66 179.813 -4.803 -1.492 1.00 0.00 C ATOM 961 CZ PHE A 66 179.315 -6.069 -1.725 1.00 0.00 C ATOM 0 H PHE A 66 180.490 -3.903 4.674 1.00 0.00 H new ATOM 0 HA PHE A 66 179.473 -6.327 3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 66 178.296 -4.289 2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 66 179.827 -3.499 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 66 178.431 -6.886 1.421 1.00 0.00 H new ATOM 0 HD2 PHE A 66 180.205 -3.297 -0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 66 178.425 -7.808 -0.857 1.00 0.00 H new ATOM 0 HE2 PHE A 66 180.201 -4.216 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 66 179.315 -6.474 -2.726 1.00 0.00 H new ATOM 971 N ARG A 67 181.840 -6.921 2.853 1.00 0.00 N ATOM 972 CA ARG A 67 183.194 -7.308 2.472 1.00 0.00 C ATOM 973 C ARG A 67 183.199 -8.063 1.146 1.00 0.00 C ATOM 974 O ARG A 67 182.311 -8.872 0.875 1.00 0.00 O ATOM 975 CB ARG A 67 183.829 -8.168 3.566 1.00 0.00 C ATOM 976 CG ARG A 67 184.546 -7.358 4.634 1.00 0.00 C ATOM 977 CD ARG A 67 184.267 -7.896 6.030 1.00 0.00 C ATOM 978 NE ARG A 67 184.689 -9.287 6.180 1.00 0.00 N ATOM 979 CZ ARG A 67 183.866 -10.332 6.104 1.00 0.00 C ATOM 980 NH1 ARG A 67 182.571 -10.158 5.866 1.00 0.00 N ATOM 981 NH2 ARG A 67 184.341 -11.560 6.263 1.00 0.00 N ATOM 0 H ARG A 67 181.239 -7.699 3.126 1.00 0.00 H new ATOM 0 HA ARG A 67 183.780 -6.397 2.348 1.00 0.00 H new ATOM 0 HB2 ARG A 67 183.054 -8.772 4.038 1.00 0.00 H new ATOM 0 HB3 ARG A 67 184.537 -8.859 3.109 1.00 0.00 H new ATOM 0 HG2 ARG A 67 185.619 -7.376 4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 67 184.229 -6.317 4.575 1.00 0.00 H new ATOM 0 HD2 ARG A 67 184.785 -7.280 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 67 183.201 -7.817 6.242 1.00 0.00 H new ATOM 0 HE ARG A 67 185.677 -9.470 6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 67 182.198 -9.217 5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 67 181.950 -10.965 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 67 185.335 -11.703 6.443 1.00 0.00 H new ATOM 0 HH22 ARG A 67 183.713 -12.361 6.205 1.00 0.00 H new ATOM 995 N ASP A 68 184.211 -7.795 0.323 1.00 0.00 N ATOM 996 CA ASP A 68 184.340 -8.447 -0.976 1.00 0.00 C ATOM 997 C ASP A 68 185.789 -8.840 -1.242 1.00 0.00 C ATOM 998 O ASP A 68 186.648 -7.981 -1.440 1.00 0.00 O ATOM 999 CB ASP A 68 183.836 -7.521 -2.086 1.00 0.00 C ATOM 1000 CG ASP A 68 182.401 -7.818 -2.477 1.00 0.00 C ATOM 1001 OD1 ASP A 68 181.996 -8.997 -2.401 1.00 0.00 O ATOM 1002 OD2 ASP A 68 181.683 -6.871 -2.860 1.00 0.00 O ATOM 0 H ASP A 68 184.954 -7.129 0.534 1.00 0.00 H new ATOM 0 HA ASP A 68 183.733 -9.352 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 68 183.913 -6.485 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 68 184.477 -7.624 -2.961 1.00 0.00 H new ATOM 1007 N ARG A 69 186.052 -10.144 -1.248 1.00 0.00 N ATOM 1008 CA ARG A 69 187.397 -10.654 -1.490 1.00 0.00 C ATOM 1009 C ARG A 69 187.646 -10.882 -2.982 1.00 0.00 C ATOM 1010 O ARG A 69 188.519 -11.665 -3.360 1.00 0.00 O ATOM 1011 CB ARG A 69 187.612 -11.960 -0.723 1.00 0.00 C ATOM 1012 CG ARG A 69 187.555 -11.795 0.786 1.00 0.00 C ATOM 1013 CD ARG A 69 188.070 -13.034 1.504 1.00 0.00 C ATOM 1014 NE ARG A 69 186.982 -13.873 1.999 1.00 0.00 N ATOM 1015 CZ ARG A 69 186.300 -13.620 3.114 1.00 0.00 C ATOM 1016 NH1 ARG A 69 186.590 -12.556 3.852 1.00 0.00 N ATOM 1017 NH2 ARG A 69 185.325 -14.436 3.494 1.00 0.00 N ATOM 0 H ARG A 69 185.350 -10.867 -1.088 1.00 0.00 H new ATOM 0 HA ARG A 69 188.106 -9.905 -1.137 1.00 0.00 H new ATOM 0 HB2 ARG A 69 186.854 -12.681 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A 69 188.580 -12.378 -0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 69 188.149 -10.930 1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 69 186.528 -11.596 1.093 1.00 0.00 H new ATOM 0 HD2 ARG A 69 188.694 -13.614 0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 69 188.703 -12.732 2.338 1.00 0.00 H new ATOM 0 HE ARG A 69 186.730 -14.701 1.459 1.00 0.00 H new ATOM 0 HH11 ARG A 69 187.339 -11.926 3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 69 186.063 -12.368 4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 69 185.099 -15.256 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 69 184.802 -14.243 4.348 1.00 0.00 H new ATOM 1031 N ASN A 70 186.878 -10.199 -3.825 1.00 0.00 N ATOM 1032 CA ASN A 70 187.022 -10.334 -5.271 1.00 0.00 C ATOM 1033 C ASN A 70 187.237 -8.975 -5.928 1.00 0.00 C ATOM 1034 O ASN A 70 186.744 -8.720 -7.026 1.00 0.00 O ATOM 1035 CB ASN A 70 185.786 -11.011 -5.867 1.00 0.00 C ATOM 1036 CG ASN A 70 185.896 -12.524 -5.863 1.00 0.00 C ATOM 1037 OD1 ASN A 70 186.715 -13.096 -5.145 1.00 0.00 O ATOM 1038 ND2 ASN A 70 185.069 -13.179 -6.669 1.00 0.00 N ATOM 0 H ASN A 70 186.150 -9.547 -3.532 1.00 0.00 H new ATOM 0 HA ASN A 70 187.898 -10.953 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 184.903 -10.712 -5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 70 185.642 -10.663 -6.890 1.00 0.00 H new ATOM 0 HD21 ASN A 70 185.097 -14.198 -6.710 1.00 0.00 H new ATOM 0 HD22 ASN A 70 184.405 -12.663 -7.247 1.00 0.00 H new ATOM 1045 N ALA A 71 187.977 -8.106 -5.247 1.00 0.00 N ATOM 1046 CA ALA A 71 188.259 -6.773 -5.763 1.00 0.00 C ATOM 1047 C ALA A 71 189.756 -6.485 -5.747 1.00 0.00 C ATOM 1048 O ALA A 71 190.273 -5.893 -4.799 1.00 0.00 O ATOM 1049 CB ALA A 71 187.507 -5.726 -4.957 1.00 0.00 C ATOM 0 H ALA A 71 188.392 -8.302 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 71 187.919 -6.730 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 71 187.727 -4.735 -5.353 1.00 0.00 H new ATOM 0 HB2 ALA A 71 186.436 -5.915 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 71 187.819 -5.777 -3.914 1.00 0.00 H new ATOM 1055 N LYS A 72 190.447 -6.905 -6.802 1.00 0.00 N ATOM 1056 CA LYS A 72 191.885 -6.689 -6.906 1.00 0.00 C ATOM 1057 C LYS A 72 192.193 -5.230 -7.221 1.00 0.00 C ATOM 1058 O LYS A 72 192.436 -4.869 -8.373 1.00 0.00 O ATOM 1059 CB LYS A 72 192.482 -7.592 -7.988 1.00 0.00 C ATOM 1060 CG LYS A 72 193.991 -7.745 -7.889 1.00 0.00 C ATOM 1061 CD LYS A 72 194.710 -6.879 -8.914 1.00 0.00 C ATOM 1062 CE LYS A 72 195.891 -6.148 -8.295 1.00 0.00 C ATOM 1063 NZ LYS A 72 196.087 -4.800 -8.898 1.00 0.00 N ATOM 0 H LYS A 72 190.035 -7.396 -7.595 1.00 0.00 H new ATOM 0 HA LYS A 72 192.335 -6.939 -5.945 1.00 0.00 H new ATOM 0 HB2 LYS A 72 192.020 -8.577 -7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 72 192.230 -7.186 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 72 194.320 -7.472 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 72 194.262 -8.790 -8.040 1.00 0.00 H new ATOM 0 HD2 LYS A 72 195.058 -7.502 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 72 194.012 -6.155 -9.334 1.00 0.00 H new ATOM 0 HE2 LYS A 72 195.733 -6.046 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 72 196.796 -6.741 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 196.901 -4.334 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 196.263 -4.898 -9.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 195.233 -4.225 -8.748 1.00 0.00 H new ATOM 1077 N LEU A 73 192.181 -4.392 -6.189 1.00 0.00 N ATOM 1078 CA LEU A 73 192.459 -2.970 -6.357 1.00 0.00 C ATOM 1079 C LEU A 73 193.960 -2.727 -6.475 1.00 0.00 C ATOM 1080 O LEU A 73 194.765 -3.629 -6.242 1.00 0.00 O ATOM 1081 CB LEU A 73 191.891 -2.171 -5.181 1.00 0.00 C ATOM 1082 CG LEU A 73 190.544 -2.667 -4.642 1.00 0.00 C ATOM 1083 CD1 LEU A 73 190.594 -2.806 -3.128 1.00 0.00 C ATOM 1084 CD2 LEU A 73 189.421 -1.727 -5.059 1.00 0.00 C ATOM 0 H LEU A 73 191.982 -4.673 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 73 191.977 -2.635 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 192.617 -2.187 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 73 191.780 -1.131 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 73 190.343 -3.649 -5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 73 189.629 -3.159 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 73 191.370 -3.521 -2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 73 190.819 -1.838 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 73 188.473 -2.096 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 73 189.614 -0.730 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 73 189.370 -1.681 -6.147 1.00 0.00 H new ATOM 1096 N LYS A 74 194.334 -1.505 -6.838 1.00 0.00 N ATOM 1097 CA LYS A 74 195.740 -1.151 -6.987 1.00 0.00 C ATOM 1098 C LYS A 74 196.038 0.202 -6.351 1.00 0.00 C ATOM 1099 O LYS A 74 195.206 1.109 -6.374 1.00 0.00 O ATOM 1100 CB LYS A 74 196.130 -1.131 -8.466 1.00 0.00 C ATOM 1101 CG LYS A 74 195.267 -0.205 -9.309 1.00 0.00 C ATOM 1102 CD LYS A 74 196.044 1.014 -9.782 1.00 0.00 C ATOM 1103 CE LYS A 74 196.463 0.879 -11.237 1.00 0.00 C ATOM 1104 NZ LYS A 74 197.741 1.589 -11.517 1.00 0.00 N ATOM 0 H LYS A 74 193.684 -0.744 -7.034 1.00 0.00 H new ATOM 0 HA LYS A 74 196.332 -1.908 -6.472 1.00 0.00 H new ATOM 0 HB2 LYS A 74 197.172 -0.824 -8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 74 196.061 -2.143 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 74 194.884 -0.750 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 74 194.403 0.117 -8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 74 195.431 1.907 -9.660 1.00 0.00 H new ATOM 0 HD3 LYS A 74 196.928 1.147 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 74 196.572 -0.176 -11.486 1.00 0.00 H new ATOM 0 HE3 LYS A 74 195.678 1.279 -11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 197.991 1.472 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 197.630 2.601 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 198.497 1.191 -10.923 1.00 0.00 H new ATOM 1118 N LEU A 75 197.233 0.326 -5.784 1.00 0.00 N ATOM 1119 CA LEU A 75 197.654 1.564 -5.135 1.00 0.00 C ATOM 1120 C LEU A 75 197.540 2.750 -6.085 1.00 0.00 C ATOM 1121 O LEU A 75 197.908 2.661 -7.256 1.00 0.00 O ATOM 1122 CB LEU A 75 199.097 1.429 -4.638 1.00 0.00 C ATOM 1123 CG LEU A 75 199.388 2.081 -3.286 1.00 0.00 C ATOM 1124 CD1 LEU A 75 200.483 1.322 -2.555 1.00 0.00 C ATOM 1125 CD2 LEU A 75 199.782 3.539 -3.474 1.00 0.00 C ATOM 0 H LEU A 75 197.930 -0.418 -5.760 1.00 0.00 H new ATOM 0 HA LEU A 75 196.994 1.744 -4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 75 199.343 0.369 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 75 199.762 1.865 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 75 198.482 2.044 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 75 200.678 1.799 -1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 75 200.165 0.293 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 201.393 1.329 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 75 199.986 3.989 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 75 200.676 3.597 -4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 75 198.967 4.076 -3.959 1.00 0.00 H new ATOM 1137 N GLY A 76 197.025 3.862 -5.570 1.00 0.00 N ATOM 1138 CA GLY A 76 196.867 5.052 -6.383 1.00 0.00 C ATOM 1139 C GLY A 76 195.471 5.177 -6.951 1.00 0.00 C ATOM 1140 O GLY A 76 194.981 6.283 -7.181 1.00 0.00 O ATOM 0 H GLY A 76 196.714 3.959 -4.603 1.00 0.00 H new ATOM 0 HA2 GLY A 76 197.093 5.933 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 76 197.589 5.030 -7.200 1.00 0.00 H new ATOM 1144 N ASP A 77 194.830 4.038 -7.183 1.00 0.00 N ATOM 1145 CA ASP A 77 193.486 4.015 -7.733 1.00 0.00 C ATOM 1146 C ASP A 77 192.508 4.762 -6.831 1.00 0.00 C ATOM 1147 O ASP A 77 192.708 4.854 -5.617 1.00 0.00 O ATOM 1148 CB ASP A 77 193.017 2.573 -7.930 1.00 0.00 C ATOM 1149 CG ASP A 77 191.788 2.480 -8.811 1.00 0.00 C ATOM 1150 OD1 ASP A 77 190.725 2.992 -8.403 1.00 0.00 O ATOM 1151 OD2 ASP A 77 191.889 1.897 -9.912 1.00 0.00 O ATOM 0 H ASP A 77 195.224 3.116 -6.997 1.00 0.00 H new ATOM 0 HA ASP A 77 193.512 4.518 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 77 193.823 1.989 -8.373 1.00 0.00 H new ATOM 0 HB3 ASP A 77 192.799 2.129 -6.959 1.00 0.00 H new ATOM 1156 N LYS A 78 191.447 5.287 -7.434 1.00 0.00 N ATOM 1157 CA LYS A 78 190.427 6.022 -6.695 1.00 0.00 C ATOM 1158 C LYS A 78 189.093 5.284 -6.751 1.00 0.00 C ATOM 1159 O LYS A 78 188.793 4.593 -7.724 1.00 0.00 O ATOM 1160 CB LYS A 78 190.269 7.432 -7.266 1.00 0.00 C ATOM 1161 CG LYS A 78 189.581 8.399 -6.317 1.00 0.00 C ATOM 1162 CD LYS A 78 190.456 8.718 -5.116 1.00 0.00 C ATOM 1163 CE LYS A 78 190.165 10.105 -4.567 1.00 0.00 C ATOM 1164 NZ LYS A 78 190.299 10.154 -3.085 1.00 0.00 N ATOM 0 H LYS A 78 191.271 5.217 -8.436 1.00 0.00 H new ATOM 0 HA LYS A 78 190.743 6.097 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 78 191.254 7.824 -7.520 1.00 0.00 H new ATOM 0 HB3 LYS A 78 189.698 7.378 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 78 189.339 9.320 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 78 188.638 7.969 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 78 190.290 7.975 -4.336 1.00 0.00 H new ATOM 0 HD3 LYS A 78 191.506 8.652 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 78 190.849 10.825 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 78 189.156 10.403 -4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 190.093 11.116 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 189.629 9.486 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 191.269 9.894 -2.815 1.00 0.00 H new ATOM 1178 N ILE A 79 188.305 5.428 -5.694 1.00 0.00 N ATOM 1179 CA ILE A 79 187.006 4.767 -5.606 1.00 0.00 C ATOM 1180 C ILE A 79 185.847 5.745 -5.823 1.00 0.00 C ATOM 1181 O ILE A 79 185.943 6.926 -5.491 1.00 0.00 O ATOM 1182 CB ILE A 79 186.840 4.004 -4.270 1.00 0.00 C ATOM 1183 CG1 ILE A 79 187.159 2.523 -4.485 1.00 0.00 C ATOM 1184 CG2 ILE A 79 185.436 4.164 -3.700 1.00 0.00 C ATOM 1185 CD1 ILE A 79 188.641 2.237 -4.609 1.00 0.00 C ATOM 0 H ILE A 79 188.542 5.998 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 79 186.974 4.036 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 79 187.536 4.429 -3.547 1.00 0.00 H new ATOM 0 HG12 ILE A 79 186.754 1.948 -3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 79 186.653 2.178 -5.387 1.00 0.00 H new ATOM 0 HG21 ILE A 79 185.359 3.614 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 79 185.235 5.220 -3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 79 184.708 3.773 -4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 79 188.794 1.168 -4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 79 189.047 2.785 -5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 79 189.150 2.551 -3.698 1.00 0.00 H new ATOM 1197 N TYR A 80 184.746 5.222 -6.357 1.00 0.00 N ATOM 1198 CA TYR A 80 183.540 6.012 -6.598 1.00 0.00 C ATOM 1199 C TYR A 80 182.312 5.143 -6.340 1.00 0.00 C ATOM 1200 O TYR A 80 182.220 4.033 -6.866 1.00 0.00 O ATOM 1201 CB TYR A 80 183.521 6.540 -8.033 1.00 0.00 C ATOM 1202 CG TYR A 80 184.508 7.661 -8.282 1.00 0.00 C ATOM 1203 CD1 TYR A 80 184.174 8.979 -8.000 1.00 0.00 C ATOM 1204 CD2 TYR A 80 185.771 7.398 -8.796 1.00 0.00 C ATOM 1205 CE1 TYR A 80 185.072 10.006 -8.225 1.00 0.00 C ATOM 1206 CE2 TYR A 80 186.673 8.419 -9.023 1.00 0.00 C ATOM 1207 CZ TYR A 80 186.320 9.720 -8.736 1.00 0.00 C ATOM 1208 OH TYR A 80 187.217 10.739 -8.963 1.00 0.00 O ATOM 0 H TYR A 80 184.664 4.244 -6.634 1.00 0.00 H new ATOM 0 HA TYR A 80 183.531 6.867 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 80 183.738 5.719 -8.716 1.00 0.00 H new ATOM 0 HB3 TYR A 80 182.517 6.893 -8.268 1.00 0.00 H new ATOM 0 HD1 TYR A 80 183.197 9.205 -7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 80 186.052 6.380 -9.022 1.00 0.00 H new ATOM 0 HE1 TYR A 80 184.797 11.026 -8.002 1.00 0.00 H new ATOM 0 HE2 TYR A 80 187.651 8.199 -9.424 1.00 0.00 H new ATOM 0 HH TYR A 80 188.049 10.368 -9.323 1.00 0.00 H new ATOM 1218 N PHE A 81 181.378 5.618 -5.514 1.00 0.00 N ATOM 1219 CA PHE A 81 180.196 4.817 -5.205 1.00 0.00 C ATOM 1220 C PHE A 81 179.044 5.634 -4.647 1.00 0.00 C ATOM 1221 O PHE A 81 179.101 6.861 -4.544 1.00 0.00 O ATOM 1222 CB PHE A 81 180.549 3.741 -4.179 1.00 0.00 C ATOM 1223 CG PHE A 81 181.253 4.282 -2.968 1.00 0.00 C ATOM 1224 CD1 PHE A 81 182.541 4.785 -3.056 1.00 0.00 C ATOM 1225 CD2 PHE A 81 180.616 4.298 -1.738 1.00 0.00 C ATOM 1226 CE1 PHE A 81 183.179 5.292 -1.938 1.00 0.00 C ATOM 1227 CE2 PHE A 81 181.250 4.801 -0.619 1.00 0.00 C ATOM 1228 CZ PHE A 81 182.532 5.298 -0.719 1.00 0.00 C ATOM 0 H PHE A 81 181.415 6.530 -5.058 1.00 0.00 H new ATOM 0 HA PHE A 81 179.874 4.380 -6.150 1.00 0.00 H new ATOM 0 HB2 PHE A 81 179.636 3.236 -3.864 1.00 0.00 H new ATOM 0 HB3 PHE A 81 181.181 2.990 -4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 81 183.052 4.781 -4.007 1.00 0.00 H new ATOM 0 HD2 PHE A 81 179.611 3.912 -1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 81 184.183 5.683 -2.019 1.00 0.00 H new ATOM 0 HE2 PHE A 81 180.742 4.805 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 81 183.029 5.691 0.155 1.00 0.00 H new ATOM 1238 N TRP A 82 178.012 4.899 -4.255 1.00 0.00 N ATOM 1239 CA TRP A 82 176.814 5.463 -3.653 1.00 0.00 C ATOM 1240 C TRP A 82 176.094 4.377 -2.861 1.00 0.00 C ATOM 1241 O TRP A 82 175.970 3.244 -3.324 1.00 0.00 O ATOM 1242 CB TRP A 82 175.888 6.078 -4.709 1.00 0.00 C ATOM 1243 CG TRP A 82 175.266 5.087 -5.645 1.00 0.00 C ATOM 1244 CD1 TRP A 82 175.825 4.568 -6.775 1.00 0.00 C ATOM 1245 CD2 TRP A 82 173.957 4.514 -5.543 1.00 0.00 C ATOM 1246 NE1 TRP A 82 174.945 3.708 -7.383 1.00 0.00 N ATOM 1247 CE2 TRP A 82 173.792 3.653 -6.644 1.00 0.00 C ATOM 1248 CE3 TRP A 82 172.910 4.642 -4.626 1.00 0.00 C ATOM 1249 CZ2 TRP A 82 172.624 2.927 -6.854 1.00 0.00 C ATOM 1250 CZ3 TRP A 82 171.750 3.920 -4.835 1.00 0.00 C ATOM 1251 CH2 TRP A 82 171.615 3.071 -5.940 1.00 0.00 C ATOM 0 H TRP A 82 177.984 3.884 -4.348 1.00 0.00 H new ATOM 0 HA TRP A 82 177.105 6.269 -2.980 1.00 0.00 H new ATOM 0 HB2 TRP A 82 175.095 6.627 -4.202 1.00 0.00 H new ATOM 0 HB3 TRP A 82 176.455 6.803 -5.293 1.00 0.00 H new ATOM 0 HD1 TRP A 82 176.815 4.800 -7.138 1.00 0.00 H new ATOM 0 HE1 TRP A 82 175.121 3.193 -8.246 1.00 0.00 H new ATOM 0 HE3 TRP A 82 173.006 5.293 -3.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 172.517 2.273 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 170.934 4.012 -4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 82 170.697 2.519 -6.074 1.00 0.00 H new ATOM 1262 N THR A 83 175.644 4.714 -1.657 1.00 0.00 N ATOM 1263 CA THR A 83 174.963 3.735 -0.809 1.00 0.00 C ATOM 1264 C THR A 83 173.456 3.893 -0.887 1.00 0.00 C ATOM 1265 O THR A 83 172.963 4.917 -1.336 1.00 0.00 O ATOM 1266 CB THR A 83 175.417 3.882 0.645 1.00 0.00 C ATOM 1267 OG1 THR A 83 175.297 5.227 1.073 1.00 0.00 O ATOM 1268 CG2 THR A 83 176.850 3.453 0.874 1.00 0.00 C ATOM 0 H THR A 83 175.735 5.644 -1.248 1.00 0.00 H new ATOM 0 HA THR A 83 175.227 2.742 -1.174 1.00 0.00 H new ATOM 0 HB THR A 83 174.764 3.224 1.218 1.00 0.00 H new ATOM 0 HG1 THR A 83 175.590 5.301 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 83 177.105 3.584 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 83 176.964 2.404 0.601 1.00 0.00 H new ATOM 0 HG23 THR A 83 177.514 4.062 0.261 1.00 0.00 H new ATOM 1276 N TYR A 84 172.729 2.869 -0.453 1.00 0.00 N ATOM 1277 CA TYR A 84 171.274 2.897 -0.480 1.00 0.00 C ATOM 1278 C TYR A 84 170.701 2.159 0.726 1.00 0.00 C ATOM 1279 O TYR A 84 170.718 0.932 0.776 1.00 0.00 O ATOM 1280 CB TYR A 84 170.774 2.253 -1.769 1.00 0.00 C ATOM 1281 CG TYR A 84 169.268 2.210 -1.889 1.00 0.00 C ATOM 1282 CD1 TYR A 84 168.492 3.306 -1.528 1.00 0.00 C ATOM 1283 CD2 TYR A 84 168.620 1.076 -2.365 1.00 0.00 C ATOM 1284 CE1 TYR A 84 167.115 3.272 -1.638 1.00 0.00 C ATOM 1285 CE2 TYR A 84 167.243 1.036 -2.477 1.00 0.00 C ATOM 1286 CZ TYR A 84 166.496 2.136 -2.112 1.00 0.00 C ATOM 1287 OH TYR A 84 165.124 2.099 -2.222 1.00 0.00 O ATOM 0 H TYR A 84 173.126 2.008 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 84 170.942 3.934 -0.440 1.00 0.00 H new ATOM 0 HB2 TYR A 84 171.181 2.801 -2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 84 171.163 1.236 -1.830 1.00 0.00 H new ATOM 0 HD1 TYR A 84 168.973 4.198 -1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 84 169.202 0.213 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 84 166.527 4.132 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 84 166.754 0.147 -2.849 1.00 0.00 H new ATOM 0 HH TYR A 84 164.847 1.227 -2.573 1.00 0.00 H new ATOM 1297 N VAL A 85 170.191 2.906 1.696 1.00 0.00 N ATOM 1298 CA VAL A 85 169.619 2.299 2.895 1.00 0.00 C ATOM 1299 C VAL A 85 168.092 2.317 2.828 1.00 0.00 C ATOM 1300 O VAL A 85 167.507 3.044 2.026 1.00 0.00 O ATOM 1301 CB VAL A 85 170.109 3.002 4.200 1.00 0.00 C ATOM 1302 CG1 VAL A 85 170.955 4.225 3.888 1.00 0.00 C ATOM 1303 CG2 VAL A 85 168.951 3.397 5.113 1.00 0.00 C ATOM 0 H VAL A 85 170.160 3.925 1.679 1.00 0.00 H new ATOM 0 HA VAL A 85 169.964 1.266 2.929 1.00 0.00 H new ATOM 0 HB VAL A 85 170.723 2.272 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 85 171.279 4.690 4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 85 171.828 3.925 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 85 170.365 4.938 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 85 169.342 3.882 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 85 168.291 4.085 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 85 168.393 2.506 5.399 1.00 0.00 H new ATOM 1313 N ILE A 86 167.456 1.521 3.685 1.00 0.00 N ATOM 1314 CA ILE A 86 165.999 1.455 3.739 1.00 0.00 C ATOM 1315 C ILE A 86 165.523 1.342 5.174 1.00 0.00 C ATOM 1316 O ILE A 86 165.703 0.306 5.810 1.00 0.00 O ATOM 1317 CB ILE A 86 165.439 0.259 2.951 1.00 0.00 C ATOM 1318 CG1 ILE A 86 165.986 0.262 1.534 1.00 0.00 C ATOM 1319 CG2 ILE A 86 163.917 0.294 2.937 1.00 0.00 C ATOM 1320 CD1 ILE A 86 165.553 1.454 0.719 1.00 0.00 C ATOM 0 H ILE A 86 167.929 0.912 4.353 1.00 0.00 H new ATOM 0 HA ILE A 86 165.633 2.376 3.286 1.00 0.00 H new ATOM 0 HB ILE A 86 165.755 -0.661 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 86 167.075 0.237 1.574 1.00 0.00 H new ATOM 0 HG13 ILE A 86 165.665 -0.649 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 86 163.539 -0.560 2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 86 163.543 0.250 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 86 163.579 1.217 2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 86 165.982 1.387 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 86 164.466 1.469 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 86 165.898 2.369 1.201 1.00 0.00 H new ATOM 1332 N LYS A 87 164.912 2.411 5.669 1.00 0.00 N ATOM 1333 CA LYS A 87 164.400 2.443 7.032 1.00 0.00 C ATOM 1334 C LYS A 87 162.874 2.368 7.038 1.00 0.00 C ATOM 1335 O LYS A 87 162.196 3.327 7.405 1.00 0.00 O ATOM 1336 CB LYS A 87 164.866 3.718 7.738 1.00 0.00 C ATOM 1337 CG LYS A 87 164.963 3.579 9.249 1.00 0.00 C ATOM 1338 CD LYS A 87 163.684 4.037 9.937 1.00 0.00 C ATOM 1339 CE LYS A 87 163.956 5.139 10.950 1.00 0.00 C ATOM 1340 NZ LYS A 87 163.536 6.475 10.442 1.00 0.00 N ATOM 0 H LYS A 87 164.759 3.271 5.143 1.00 0.00 H new ATOM 0 HA LYS A 87 164.789 1.577 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 165.841 4.005 7.345 1.00 0.00 H new ATOM 0 HB3 LYS A 87 164.176 4.528 7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 87 165.163 2.539 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 87 165.805 4.167 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 87 162.977 4.396 9.189 1.00 0.00 H new ATOM 0 HD3 LYS A 87 163.216 3.189 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 87 163.426 4.920 11.877 1.00 0.00 H new ATOM 0 HE3 LYS A 87 165.019 5.159 11.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 163.738 7.199 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 164.060 6.696 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 162.516 6.464 10.238 1.00 0.00 H new ATOM 1354 N ASP A 88 162.343 1.220 6.628 1.00 0.00 N ATOM 1355 CA ASP A 88 160.899 1.016 6.584 1.00 0.00 C ATOM 1356 C ASP A 88 160.244 1.956 5.574 1.00 0.00 C ATOM 1357 O ASP A 88 159.467 2.838 5.944 1.00 0.00 O ATOM 1358 CB ASP A 88 160.288 1.230 7.971 1.00 0.00 C ATOM 1359 CG ASP A 88 158.978 0.490 8.148 1.00 0.00 C ATOM 1360 OD1 ASP A 88 159.016 -0.734 8.396 1.00 0.00 O ATOM 1361 OD2 ASP A 88 157.912 1.132 8.036 1.00 0.00 O ATOM 0 H ASP A 88 162.891 0.416 6.321 1.00 0.00 H new ATOM 0 HA ASP A 88 160.714 -0.011 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 88 160.995 0.898 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 88 160.124 2.296 8.132 1.00 0.00 H new ATOM 1366 N GLY A 89 160.563 1.761 4.298 1.00 0.00 N ATOM 1367 CA GLY A 89 159.997 2.598 3.256 1.00 0.00 C ATOM 1368 C GLY A 89 160.538 4.014 3.292 1.00 0.00 C ATOM 1369 O GLY A 89 159.857 4.957 2.888 1.00 0.00 O ATOM 0 H GLY A 89 161.203 1.039 3.967 1.00 0.00 H new ATOM 0 HA2 GLY A 89 160.210 2.156 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 89 158.913 2.624 3.364 1.00 0.00 H new ATOM 1373 N LEU A 90 161.766 4.161 3.779 1.00 0.00 N ATOM 1374 CA LEU A 90 162.408 5.470 3.872 1.00 0.00 C ATOM 1375 C LEU A 90 163.890 5.348 3.575 1.00 0.00 C ATOM 1376 O LEU A 90 164.728 5.409 4.477 1.00 0.00 O ATOM 1377 CB LEU A 90 162.194 6.065 5.261 1.00 0.00 C ATOM 1378 CG LEU A 90 160.809 5.809 5.843 1.00 0.00 C ATOM 1379 CD1 LEU A 90 160.769 6.169 7.320 1.00 0.00 C ATOM 1380 CD2 LEU A 90 159.763 6.593 5.065 1.00 0.00 C ATOM 0 H LEU A 90 162.339 3.388 4.117 1.00 0.00 H new ATOM 0 HA LEU A 90 161.957 6.135 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 90 162.942 5.655 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 90 162.363 7.141 5.213 1.00 0.00 H new ATOM 0 HG LEU A 90 160.584 4.746 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 90 159.771 5.978 7.714 1.00 0.00 H new ATOM 0 HD12 LEU A 90 161.495 5.563 7.862 1.00 0.00 H new ATOM 0 HD13 LEU A 90 161.012 7.224 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 90 158.777 6.403 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 90 159.986 7.658 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 90 159.776 6.280 4.021 1.00 0.00 H new ATOM 1392 N GLY A 91 164.201 5.145 2.308 1.00 0.00 N ATOM 1393 CA GLY A 91 165.571 4.980 1.901 1.00 0.00 C ATOM 1394 C GLY A 91 166.318 6.281 1.690 1.00 0.00 C ATOM 1395 O GLY A 91 165.720 7.340 1.496 1.00 0.00 O ATOM 0 H GLY A 91 163.521 5.092 1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 91 166.094 4.392 2.655 1.00 0.00 H new ATOM 0 HA3 GLY A 91 165.596 4.405 0.975 1.00 0.00 H new ATOM 1399 N TYR A 92 167.639 6.174 1.714 1.00 0.00 N ATOM 1400 CA TYR A 92 168.534 7.308 1.513 1.00 0.00 C ATOM 1401 C TYR A 92 169.845 6.803 0.927 1.00 0.00 C ATOM 1402 O TYR A 92 170.251 5.675 1.209 1.00 0.00 O ATOM 1403 CB TYR A 92 168.784 8.034 2.836 1.00 0.00 C ATOM 1404 CG TYR A 92 167.518 8.526 3.502 1.00 0.00 C ATOM 1405 CD1 TYR A 92 166.921 9.716 3.105 1.00 0.00 C ATOM 1406 CD2 TYR A 92 166.920 7.797 4.522 1.00 0.00 C ATOM 1407 CE1 TYR A 92 165.762 10.166 3.708 1.00 0.00 C ATOM 1408 CE2 TYR A 92 165.761 8.240 5.129 1.00 0.00 C ATOM 1409 CZ TYR A 92 165.187 9.426 4.720 1.00 0.00 C ATOM 1410 OH TYR A 92 164.031 9.869 5.323 1.00 0.00 O ATOM 0 H TYR A 92 168.125 5.292 1.875 1.00 0.00 H new ATOM 0 HA TYR A 92 168.075 8.016 0.823 1.00 0.00 H new ATOM 0 HB2 TYR A 92 169.306 7.362 3.517 1.00 0.00 H new ATOM 0 HB3 TYR A 92 169.444 8.882 2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 92 167.369 10.298 2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 92 167.368 6.869 4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 92 165.309 11.093 3.388 1.00 0.00 H new ATOM 0 HE2 TYR A 92 165.307 7.661 5.919 1.00 0.00 H new ATOM 0 HH TYR A 92 163.758 9.231 6.015 1.00 0.00 H new ATOM 1420 N ARG A 93 170.503 7.606 0.097 1.00 0.00 N ATOM 1421 CA ARG A 93 171.744 7.168 -0.513 1.00 0.00 C ATOM 1422 C ARG A 93 172.882 8.140 -0.285 1.00 0.00 C ATOM 1423 O ARG A 93 172.692 9.356 -0.245 1.00 0.00 O ATOM 1424 CB ARG A 93 171.558 6.972 -2.015 1.00 0.00 C ATOM 1425 CG ARG A 93 171.120 8.231 -2.744 1.00 0.00 C ATOM 1426 CD ARG A 93 170.571 7.912 -4.126 1.00 0.00 C ATOM 1427 NE ARG A 93 169.610 8.915 -4.577 1.00 0.00 N ATOM 1428 CZ ARG A 93 168.341 8.961 -4.175 1.00 0.00 C ATOM 1429 NH1 ARG A 93 167.879 8.065 -3.313 1.00 0.00 N ATOM 1430 NH2 ARG A 93 167.534 9.907 -4.637 1.00 0.00 N ATOM 0 H ARG A 93 170.202 8.545 -0.162 1.00 0.00 H new ATOM 0 HA ARG A 93 172.005 6.224 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 93 172.496 6.621 -2.446 1.00 0.00 H new ATOM 0 HB3 ARG A 93 170.818 6.190 -2.182 1.00 0.00 H new ATOM 0 HG2 ARG A 93 170.358 8.745 -2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 93 171.966 8.913 -2.836 1.00 0.00 H new ATOM 0 HD2 ARG A 93 171.394 7.852 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 93 170.092 6.933 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 93 169.930 9.622 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 93 168.496 7.336 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 93 166.906 8.105 -3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 93 167.885 10.598 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 93 166.562 9.943 -4.330 1.00 0.00 H new ATOM 1444 N GLN A 94 174.078 7.582 -0.187 1.00 0.00 N ATOM 1445 CA GLN A 94 175.278 8.375 -0.021 1.00 0.00 C ATOM 1446 C GLN A 94 176.037 8.375 -1.331 1.00 0.00 C ATOM 1447 O GLN A 94 177.043 7.683 -1.479 1.00 0.00 O ATOM 1448 CB GLN A 94 176.164 7.829 1.097 1.00 0.00 C ATOM 1449 CG GLN A 94 177.227 8.817 1.544 1.00 0.00 C ATOM 1450 CD GLN A 94 178.554 8.154 1.858 1.00 0.00 C ATOM 1451 OE1 GLN A 94 179.099 8.317 2.948 1.00 0.00 O ATOM 1452 NE2 GLN A 94 179.082 7.403 0.898 1.00 0.00 N ATOM 0 H GLN A 94 174.240 6.576 -0.220 1.00 0.00 H new ATOM 0 HA GLN A 94 174.995 9.390 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 94 175.541 7.563 1.951 1.00 0.00 H new ATOM 0 HB3 GLN A 94 176.647 6.913 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 94 177.375 9.562 0.762 1.00 0.00 H new ATOM 0 HG3 GLN A 94 176.874 9.348 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 94 178.595 7.296 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 94 179.975 6.934 1.050 1.00 0.00 H new ATOM 1461 N ASP A 95 175.514 9.126 -2.291 1.00 0.00 N ATOM 1462 CA ASP A 95 176.113 9.205 -3.616 1.00 0.00 C ATOM 1463 C ASP A 95 177.263 10.195 -3.654 1.00 0.00 C ATOM 1464 O ASP A 95 177.555 10.871 -2.667 1.00 0.00 O ATOM 1465 CB ASP A 95 175.059 9.599 -4.649 1.00 0.00 C ATOM 1466 CG ASP A 95 174.383 10.914 -4.314 1.00 0.00 C ATOM 1467 OD1 ASP A 95 175.103 11.906 -4.070 1.00 0.00 O ATOM 1468 OD2 ASP A 95 173.135 10.953 -4.297 1.00 0.00 O ATOM 0 H ASP A 95 174.673 9.691 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 95 176.509 8.218 -3.856 1.00 0.00 H new ATOM 0 HB2 ASP A 95 175.527 9.674 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 95 174.306 8.813 -4.714 1.00 0.00 H new ATOM 1473 N ASN A 96 177.915 10.270 -4.806 1.00 0.00 N ATOM 1474 CA ASN A 96 179.040 11.171 -4.992 1.00 0.00 C ATOM 1475 C ASN A 96 180.160 10.843 -4.008 1.00 0.00 C ATOM 1476 O ASN A 96 181.034 11.669 -3.747 1.00 0.00 O ATOM 1477 CB ASN A 96 178.581 12.618 -4.815 1.00 0.00 C ATOM 1478 CG ASN A 96 179.703 13.618 -5.024 1.00 0.00 C ATOM 1479 OD1 ASN A 96 179.915 14.513 -4.205 1.00 0.00 O ATOM 1480 ND2 ASN A 96 180.428 13.471 -6.127 1.00 0.00 N ATOM 0 H ASN A 96 177.681 9.714 -5.629 1.00 0.00 H new ATOM 0 HA ASN A 96 179.428 11.044 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 96 177.776 12.828 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 96 178.169 12.744 -3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 96 181.195 14.114 -6.322 1.00 0.00 H new ATOM 0 HD22 ASN A 96 180.218 12.715 -6.779 1.00 0.00 H new ATOM 1487 N GLY A 97 180.136 9.625 -3.468 1.00 0.00 N ATOM 1488 CA GLY A 97 181.161 9.220 -2.529 1.00 0.00 C ATOM 1489 C GLY A 97 182.417 8.760 -3.228 1.00 0.00 C ATOM 1490 O GLY A 97 182.397 8.446 -4.419 1.00 0.00 O ATOM 0 H GLY A 97 179.428 8.918 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 97 181.398 10.054 -1.869 1.00 0.00 H new ATOM 0 HA3 GLY A 97 180.780 8.415 -1.901 1.00 0.00 H new ATOM 1494 N GLU A 98 183.514 8.721 -2.489 1.00 0.00 N ATOM 1495 CA GLU A 98 184.789 8.296 -3.048 1.00 0.00 C ATOM 1496 C GLU A 98 185.704 7.738 -1.968 1.00 0.00 C ATOM 1497 O GLU A 98 185.493 7.970 -0.776 1.00 0.00 O ATOM 1498 CB GLU A 98 185.473 9.466 -3.757 1.00 0.00 C ATOM 1499 CG GLU A 98 185.815 10.621 -2.830 1.00 0.00 C ATOM 1500 CD GLU A 98 185.535 11.973 -3.456 1.00 0.00 C ATOM 1501 OE1 GLU A 98 185.669 12.095 -4.690 1.00 0.00 O ATOM 1502 OE2 GLU A 98 185.180 12.911 -2.709 1.00 0.00 O ATOM 0 H GLU A 98 183.548 8.978 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 98 184.591 7.505 -3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 98 186.387 9.109 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 98 184.822 9.829 -4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 98 185.240 10.525 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 98 186.868 10.563 -2.556 1.00 0.00 H new ATOM 1509 N TRP A 99 186.725 7.006 -2.394 1.00 0.00 N ATOM 1510 CA TRP A 99 187.685 6.417 -1.471 1.00 0.00 C ATOM 1511 C TRP A 99 189.021 6.183 -2.178 1.00 0.00 C ATOM 1512 O TRP A 99 189.105 6.271 -3.402 1.00 0.00 O ATOM 1513 CB TRP A 99 187.127 5.115 -0.893 1.00 0.00 C ATOM 1514 CG TRP A 99 188.099 4.371 -0.036 1.00 0.00 C ATOM 1515 CD1 TRP A 99 188.588 4.748 1.182 1.00 0.00 C ATOM 1516 CD2 TRP A 99 188.699 3.115 -0.339 1.00 0.00 C ATOM 1517 NE1 TRP A 99 189.468 3.800 1.648 1.00 0.00 N ATOM 1518 CE2 TRP A 99 189.549 2.785 0.728 1.00 0.00 C ATOM 1519 CE3 TRP A 99 188.596 2.239 -1.418 1.00 0.00 C ATOM 1520 CZ2 TRP A 99 190.295 1.611 0.744 1.00 0.00 C ATOM 1521 CZ3 TRP A 99 189.333 1.076 -1.403 1.00 0.00 C ATOM 1522 CH2 TRP A 99 190.174 0.771 -0.329 1.00 0.00 C ATOM 0 H TRP A 99 186.910 6.806 -3.377 1.00 0.00 H new ATOM 0 HA TRP A 99 187.858 7.107 -0.645 1.00 0.00 H new ATOM 0 HB2 TRP A 99 186.237 5.341 -0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 99 186.812 4.470 -1.713 1.00 0.00 H new ATOM 0 HD1 TRP A 99 188.323 5.656 1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 99 189.976 3.844 2.531 1.00 0.00 H new ATOM 0 HE3 TRP A 99 187.949 2.468 -2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 190.945 1.372 1.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 189.260 0.389 -2.233 1.00 0.00 H new ATOM 0 HH2 TRP A 99 190.741 -0.148 -0.347 1.00 0.00 H new ATOM 1533 N THR A 100 190.071 5.926 -1.404 1.00 0.00 N ATOM 1534 CA THR A 100 191.405 5.727 -1.966 1.00 0.00 C ATOM 1535 C THR A 100 191.844 4.264 -1.956 1.00 0.00 C ATOM 1536 O THR A 100 191.330 3.447 -1.195 1.00 0.00 O ATOM 1537 CB THR A 100 192.420 6.545 -1.165 1.00 0.00 C ATOM 1538 OG1 THR A 100 193.641 6.662 -1.874 1.00 0.00 O ATOM 1539 CG2 THR A 100 192.732 5.945 0.199 1.00 0.00 C ATOM 0 H THR A 100 190.025 5.851 -0.388 1.00 0.00 H new ATOM 0 HA THR A 100 191.362 6.053 -3.005 1.00 0.00 H new ATOM 0 HB THR A 100 191.955 7.520 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 100 194.385 6.414 -1.287 1.00 0.00 H new ATOM 0 HG21 THR A 100 193.458 6.573 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 100 191.817 5.887 0.789 1.00 0.00 H new ATOM 0 HG23 THR A 100 193.144 4.944 0.071 1.00 0.00 H new ATOM 1547 N VAL A 101 192.837 3.967 -2.788 1.00 0.00 N ATOM 1548 CA VAL A 101 193.408 2.627 -2.867 1.00 0.00 C ATOM 1549 C VAL A 101 194.910 2.659 -2.570 1.00 0.00 C ATOM 1550 O VAL A 101 195.578 1.625 -2.592 1.00 0.00 O ATOM 1551 CB VAL A 101 193.200 1.994 -4.254 1.00 0.00 C ATOM 1552 CG1 VAL A 101 193.624 0.534 -4.235 1.00 0.00 C ATOM 1553 CG2 VAL A 101 191.751 2.133 -4.698 1.00 0.00 C ATOM 0 H VAL A 101 193.266 4.642 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 101 192.890 2.024 -2.121 1.00 0.00 H new ATOM 0 HB VAL A 101 193.823 2.524 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 101 193.472 0.098 -5.222 1.00 0.00 H new ATOM 0 HG12 VAL A 101 194.678 0.465 -3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 101 193.027 -0.009 -3.503 1.00 0.00 H new ATOM 0 HG21 VAL A 101 191.626 1.679 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 101 191.101 1.631 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 101 191.486 3.189 -4.750 1.00 0.00 H new ATOM 1563 N THR A 102 195.437 3.855 -2.304 1.00 0.00 N ATOM 1564 CA THR A 102 196.858 4.028 -2.017 1.00 0.00 C ATOM 1565 C THR A 102 197.280 3.300 -0.742 1.00 0.00 C ATOM 1566 O THR A 102 198.471 3.125 -0.488 1.00 0.00 O ATOM 1567 CB THR A 102 197.192 5.515 -1.897 1.00 0.00 C ATOM 1568 OG1 THR A 102 196.295 6.160 -1.010 1.00 0.00 O ATOM 1569 CG2 THR A 102 197.136 6.248 -3.219 1.00 0.00 C ATOM 0 H THR A 102 194.897 4.720 -2.282 1.00 0.00 H new ATOM 0 HA THR A 102 197.412 3.590 -2.847 1.00 0.00 H new ATOM 0 HB THR A 102 198.215 5.553 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 102 196.526 7.110 -0.945 1.00 0.00 H new ATOM 0 HG21 THR A 102 197.383 7.298 -3.064 1.00 0.00 H new ATOM 0 HG22 THR A 102 197.852 5.805 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 102 196.132 6.169 -3.636 1.00 0.00 H new ATOM 1577 N GLU A 103 196.308 2.880 0.059 1.00 0.00 N ATOM 1578 CA GLU A 103 196.602 2.179 1.304 1.00 0.00 C ATOM 1579 C GLU A 103 195.806 0.885 1.399 1.00 0.00 C ATOM 1580 O GLU A 103 194.740 0.758 0.799 1.00 0.00 O ATOM 1581 CB GLU A 103 196.290 3.073 2.504 1.00 0.00 C ATOM 1582 CG GLU A 103 194.921 3.733 2.432 1.00 0.00 C ATOM 1583 CD GLU A 103 194.048 3.399 3.625 1.00 0.00 C ATOM 1584 OE1 GLU A 103 194.471 3.677 4.768 1.00 0.00 O ATOM 1585 OE2 GLU A 103 192.941 2.858 3.419 1.00 0.00 O ATOM 0 H GLU A 103 195.314 3.011 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 103 197.664 1.933 1.311 1.00 0.00 H new ATOM 0 HB2 GLU A 103 196.350 2.478 3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 103 197.054 3.847 2.578 1.00 0.00 H new ATOM 0 HG2 GLU A 103 195.046 4.814 2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 103 194.417 3.417 1.518 1.00 0.00 H new ATOM 1592 N PHE A 104 196.326 -0.071 2.161 1.00 0.00 N ATOM 1593 CA PHE A 104 195.656 -1.348 2.335 1.00 0.00 C ATOM 1594 C PHE A 104 195.678 -1.757 3.799 1.00 0.00 C ATOM 1595 O PHE A 104 196.648 -1.494 4.508 1.00 0.00 O ATOM 1596 CB PHE A 104 196.333 -2.424 1.482 1.00 0.00 C ATOM 1597 CG PHE A 104 196.244 -2.173 0.003 1.00 0.00 C ATOM 1598 CD1 PHE A 104 196.900 -1.098 -0.572 1.00 0.00 C ATOM 1599 CD2 PHE A 104 195.505 -3.015 -0.812 1.00 0.00 C ATOM 1600 CE1 PHE A 104 196.823 -0.866 -1.934 1.00 0.00 C ATOM 1601 CE2 PHE A 104 195.423 -2.792 -2.174 1.00 0.00 C ATOM 1602 CZ PHE A 104 196.083 -1.714 -2.736 1.00 0.00 C ATOM 0 H PHE A 104 197.208 0.017 2.666 1.00 0.00 H new ATOM 0 HA PHE A 104 194.620 -1.243 2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 104 197.383 -2.492 1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 104 195.879 -3.390 1.705 1.00 0.00 H new ATOM 0 HD1 PHE A 104 197.479 -0.432 0.050 1.00 0.00 H new ATOM 0 HD2 PHE A 104 194.986 -3.857 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 104 197.340 -0.024 -2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 104 194.845 -3.458 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 104 196.020 -1.535 -3.799 1.00 0.00 H new ATOM 1612 N VAL A 105 194.610 -2.401 4.252 1.00 0.00 N ATOM 1613 CA VAL A 105 194.533 -2.840 5.634 1.00 0.00 C ATOM 1614 C VAL A 105 194.896 -4.314 5.755 1.00 0.00 C ATOM 1615 O VAL A 105 195.007 -5.026 4.756 1.00 0.00 O ATOM 1616 CB VAL A 105 193.138 -2.593 6.245 1.00 0.00 C ATOM 1617 CG1 VAL A 105 192.749 -1.129 6.102 1.00 0.00 C ATOM 1618 CG2 VAL A 105 192.093 -3.492 5.597 1.00 0.00 C ATOM 0 H VAL A 105 193.793 -2.628 3.686 1.00 0.00 H new ATOM 0 HA VAL A 105 195.254 -2.245 6.194 1.00 0.00 H new ATOM 0 HB VAL A 105 193.182 -2.839 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 105 191.763 -0.970 6.538 1.00 0.00 H new ATOM 0 HG12 VAL A 105 193.479 -0.506 6.620 1.00 0.00 H new ATOM 0 HG13 VAL A 105 192.727 -0.860 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 105 191.118 -3.299 6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 105 192.048 -3.286 4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 105 192.364 -4.536 5.754 1.00 0.00 H new