USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1009 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 Single : A 8 MET CE :methyl -109:sc= -0.0713 (180deg=-0.648) USER MOD Single : A 13 ASN : amide:sc= -2.26 K(o=-2.3,f=-1.3) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.0402 (180deg=-0.824) USER MOD Single : A 23 ASN : amide:sc= -0.334 K(o=-0.33,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0.191 K(o=0.19,f=-0.78) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 36 SER OG : rot 20:sc= 0.27 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00484 USER MOD Single : A 42 GLN : amide:sc= -0.661 K(o=-0.66,f=-2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 138:sc= -4.86! USER MOD Single : A 52 SER OG : rot 180:sc= -0.0449 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.59! C(o=-1.6!,f=-6.9!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.1) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -94:sc= 0.152 USER MOD Single : A 88 ASN : amide:sc= 0.572 K(o=0.57,f=-0.62) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -127:sc= -0.625 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 178:sc= -0.668 USER MOD Single : A 106 GLN : amide:sc= -0.3 K(o=-0.3,f=-1.6!) USER MOD Single : A 107 THR OG1 : rot 10:sc= 0.794! USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 ASN : amide:sc= -2.2! C(o=-2.2!,f=-15!) USER MOD Single : A 112 ASN : amide:sc= -0.0674 X(o=-0.067,f=-0.051) USER MOD Single : A 113 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.8!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 MET CE :methyl -132:sc= -4.58! (180deg=-8.5!) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.142) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.424 4.368 8.411 1.00 0.00 N ATOM 60 CA GLY A 7 -13.689 3.306 7.457 1.00 0.00 C ATOM 61 C GLY A 7 -12.847 3.480 6.193 1.00 0.00 C ATOM 62 O GLY A 7 -11.807 2.841 6.041 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.471 2.340 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.747 3.303 7.195 1.00 0.00 H new ATOM 66 N MET A 8 -13.328 4.350 5.315 1.00 0.00 N ATOM 67 CA MET A 8 -12.631 4.617 4.068 1.00 0.00 C ATOM 68 C MET A 8 -12.334 6.110 3.915 1.00 0.00 C ATOM 69 O MET A 8 -11.178 6.505 3.767 1.00 0.00 O ATOM 70 CB MET A 8 -13.489 4.144 2.894 1.00 0.00 C ATOM 71 CG MET A 8 -12.850 4.530 1.557 1.00 0.00 C ATOM 72 SD MET A 8 -12.073 3.104 0.818 1.00 0.00 S ATOM 73 CE MET A 8 -10.406 3.311 1.424 1.00 0.00 C ATOM 0 H MET A 8 -14.191 4.878 5.443 1.00 0.00 H new ATOM 0 HA MET A 8 -11.684 4.077 4.079 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.614 3.062 2.943 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.484 4.583 2.966 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.608 4.931 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.112 5.318 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.753 3.602 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.391 4.086 2.191 1.00 0.00 H new ATOM 0 HE3 MET A 8 -10.055 2.372 1.851 1.00 0.00 H new ATOM 83 N GLU A 9 -13.397 6.900 3.957 1.00 0.00 N ATOM 84 CA GLU A 9 -13.265 8.340 3.825 1.00 0.00 C ATOM 85 C GLU A 9 -12.383 8.898 4.944 1.00 0.00 C ATOM 86 O GLU A 9 -11.929 10.038 4.871 1.00 0.00 O ATOM 87 CB GLU A 9 -14.636 9.019 3.819 1.00 0.00 C ATOM 88 CG GLU A 9 -14.734 10.049 2.691 1.00 0.00 C ATOM 89 CD GLU A 9 -16.097 10.743 2.698 1.00 0.00 C ATOM 90 OE1 GLU A 9 -17.084 10.056 2.353 1.00 0.00 O ATOM 91 OE2 GLU A 9 -16.122 11.941 3.048 1.00 0.00 O ATOM 0 H GLU A 9 -14.354 6.569 4.081 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.786 8.554 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.417 8.268 3.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -14.808 9.508 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.944 10.791 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.577 9.558 1.731 1.00 0.00 H new ATOM 98 N ALA A 10 -12.167 8.066 5.952 1.00 0.00 N ATOM 99 CA ALA A 10 -11.347 8.461 7.086 1.00 0.00 C ATOM 100 C ALA A 10 -9.931 7.912 6.902 1.00 0.00 C ATOM 101 O ALA A 10 -8.953 8.588 7.218 1.00 0.00 O ATOM 102 CB ALA A 10 -11.998 7.974 8.382 1.00 0.00 C ATOM 0 H ALA A 10 -12.545 7.120 6.008 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.274 9.547 7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.383 8.270 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.989 8.416 8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.086 6.888 8.359 1.00 0.00 H new ATOM 108 N VAL A 11 -9.866 6.692 6.390 1.00 0.00 N ATOM 109 CA VAL A 11 -8.585 6.044 6.159 1.00 0.00 C ATOM 110 C VAL A 11 -7.793 6.844 5.124 1.00 0.00 C ATOM 111 O VAL A 11 -6.597 7.074 5.294 1.00 0.00 O ATOM 112 CB VAL A 11 -8.803 4.586 5.750 1.00 0.00 C ATOM 113 CG1 VAL A 11 -7.641 4.078 4.894 1.00 0.00 C ATOM 114 CG2 VAL A 11 -9.011 3.697 6.978 1.00 0.00 C ATOM 0 H VAL A 11 -10.679 6.135 6.128 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.995 6.026 7.075 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.709 4.539 5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.820 3.039 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.560 4.686 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.713 4.147 5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.164 2.666 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.132 3.752 7.620 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.886 4.039 7.531 1.00 0.00 H new ATOM 124 N LEU A 12 -8.493 7.246 4.073 1.00 0.00 N ATOM 125 CA LEU A 12 -7.869 8.015 3.009 1.00 0.00 C ATOM 126 C LEU A 12 -7.615 9.443 3.499 1.00 0.00 C ATOM 127 O LEU A 12 -6.563 10.018 3.226 1.00 0.00 O ATOM 128 CB LEU A 12 -8.710 7.945 1.732 1.00 0.00 C ATOM 129 CG LEU A 12 -8.365 6.812 0.764 1.00 0.00 C ATOM 130 CD1 LEU A 12 -9.187 6.921 -0.521 1.00 0.00 C ATOM 131 CD2 LEU A 12 -6.862 6.768 0.483 1.00 0.00 C ATOM 0 H LEU A 12 -9.485 7.054 3.935 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.900 7.588 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.758 7.848 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.610 8.892 1.202 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.630 5.866 1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.923 6.104 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.248 6.864 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.976 7.873 -1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.645 5.953 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.547 7.713 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.322 6.606 1.416 1.00 0.00 H new ATOM 143 N ASN A 13 -8.595 9.971 4.216 1.00 0.00 N ATOM 144 CA ASN A 13 -8.491 11.319 4.747 1.00 0.00 C ATOM 145 C ASN A 13 -7.228 11.429 5.604 1.00 0.00 C ATOM 146 O ASN A 13 -6.338 12.223 5.304 1.00 0.00 O ATOM 147 CB ASN A 13 -9.692 11.658 5.632 1.00 0.00 C ATOM 148 CG ASN A 13 -10.700 12.529 4.879 1.00 0.00 C ATOM 149 OD1 ASN A 13 -11.193 13.527 5.378 1.00 0.00 O ATOM 150 ND2 ASN A 13 -10.977 12.097 3.651 1.00 0.00 N ATOM 0 H ASN A 13 -9.465 9.490 4.442 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.457 12.010 3.905 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -10.176 10.739 5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -9.353 12.179 6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.638 12.610 3.067 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.529 11.253 3.294 1.00 0.00 H new ATOM 157 N GLU A 14 -7.191 10.620 6.653 1.00 0.00 N ATOM 158 CA GLU A 14 -6.051 10.616 7.554 1.00 0.00 C ATOM 159 C GLU A 14 -4.806 10.094 6.835 1.00 0.00 C ATOM 160 O GLU A 14 -4.875 9.104 6.108 1.00 0.00 O ATOM 161 CB GLU A 14 -6.347 9.791 8.808 1.00 0.00 C ATOM 162 CG GLU A 14 -5.088 9.078 9.305 1.00 0.00 C ATOM 163 CD GLU A 14 -5.158 8.827 10.812 1.00 0.00 C ATOM 164 OE1 GLU A 14 -6.290 8.617 11.300 1.00 0.00 O ATOM 165 OE2 GLU A 14 -4.079 8.852 11.443 1.00 0.00 O ATOM 0 H GLU A 14 -7.932 9.963 6.899 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.859 11.641 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.735 10.441 9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.123 9.057 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.972 8.130 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.210 9.680 9.074 1.00 0.00 H new ATOM 172 N LEU A 15 -3.698 10.782 7.063 1.00 0.00 N ATOM 173 CA LEU A 15 -2.439 10.400 6.445 1.00 0.00 C ATOM 174 C LEU A 15 -1.455 9.961 7.531 1.00 0.00 C ATOM 175 O LEU A 15 -1.667 10.235 8.712 1.00 0.00 O ATOM 176 CB LEU A 15 -1.912 11.531 5.558 1.00 0.00 C ATOM 177 CG LEU A 15 -1.822 12.910 6.213 1.00 0.00 C ATOM 178 CD1 LEU A 15 -0.567 13.024 7.083 1.00 0.00 C ATOM 179 CD2 LEU A 15 -1.893 14.021 5.164 1.00 0.00 C ATOM 0 H LEU A 15 -3.645 11.602 7.667 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.584 9.547 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.920 11.254 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.555 11.608 4.681 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.683 13.032 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.528 14.014 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.597 12.267 7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.319 12.872 6.466 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.827 14.991 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.066 13.913 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.837 13.952 4.624 1.00 0.00 H new ATOM 191 N VAL A 16 -0.401 9.289 7.094 1.00 0.00 N ATOM 192 CA VAL A 16 0.617 8.810 8.014 1.00 0.00 C ATOM 193 C VAL A 16 1.318 10.006 8.660 1.00 0.00 C ATOM 194 O VAL A 16 1.241 11.125 8.152 1.00 0.00 O ATOM 195 CB VAL A 16 1.582 7.872 7.286 1.00 0.00 C ATOM 196 CG1 VAL A 16 2.742 8.654 6.667 1.00 0.00 C ATOM 197 CG2 VAL A 16 2.096 6.779 8.223 1.00 0.00 C ATOM 0 H VAL A 16 -0.229 9.064 6.114 1.00 0.00 H new ATOM 0 HA VAL A 16 0.163 8.228 8.816 1.00 0.00 H new ATOM 0 HB VAL A 16 1.034 7.388 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.414 7.965 6.155 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.352 9.378 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.288 9.177 7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 16 2.780 6.126 7.680 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.620 7.236 9.062 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.255 6.194 8.596 1.00 0.00 H new ATOM 207 N SER A 17 1.986 9.732 9.770 1.00 0.00 N ATOM 208 CA SER A 17 2.701 10.772 10.490 1.00 0.00 C ATOM 209 C SER A 17 4.136 10.322 10.772 1.00 0.00 C ATOM 210 O SER A 17 4.384 9.143 11.023 1.00 0.00 O ATOM 211 CB SER A 17 1.989 11.124 11.798 1.00 0.00 C ATOM 212 OG SER A 17 0.577 11.201 11.634 1.00 0.00 O ATOM 0 H SER A 17 2.047 8.804 10.189 1.00 0.00 H new ATOM 0 HA SER A 17 2.723 11.666 9.867 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.226 10.374 12.553 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.363 12.078 12.169 1.00 0.00 H new ATOM 0 HG SER A 17 0.160 11.426 12.492 1.00 0.00 H new ATOM 218 N VAL A 18 5.045 11.284 10.718 1.00 0.00 N ATOM 219 CA VAL A 18 6.449 11.002 10.963 1.00 0.00 C ATOM 220 C VAL A 18 6.575 10.082 12.179 1.00 0.00 C ATOM 221 O VAL A 18 7.281 9.076 12.130 1.00 0.00 O ATOM 222 CB VAL A 18 7.227 12.311 11.121 1.00 0.00 C ATOM 223 CG1 VAL A 18 8.697 12.039 11.441 1.00 0.00 C ATOM 224 CG2 VAL A 18 7.089 13.183 9.872 1.00 0.00 C ATOM 0 H VAL A 18 4.836 12.260 10.508 1.00 0.00 H new ATOM 0 HA VAL A 18 6.887 10.480 10.113 1.00 0.00 H new ATOM 0 HB VAL A 18 6.798 12.858 11.961 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.227 12.985 11.548 1.00 0.00 H new ATOM 0 HG12 VAL A 18 8.769 11.475 12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.145 11.462 10.632 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.651 14.107 10.009 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.480 12.646 9.008 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.038 13.419 9.707 1.00 0.00 H new ATOM 234 N GLU A 19 5.879 10.460 13.241 1.00 0.00 N ATOM 235 CA GLU A 19 5.904 9.681 14.468 1.00 0.00 C ATOM 236 C GLU A 19 5.739 8.192 14.156 1.00 0.00 C ATOM 237 O GLU A 19 6.381 7.349 14.779 1.00 0.00 O ATOM 238 CB GLU A 19 4.827 10.160 15.443 1.00 0.00 C ATOM 239 CG GLU A 19 5.339 10.128 16.885 1.00 0.00 C ATOM 240 CD GLU A 19 5.348 8.699 17.433 1.00 0.00 C ATOM 241 OE1 GLU A 19 4.339 7.999 17.207 1.00 0.00 O ATOM 242 OE2 GLU A 19 6.366 8.341 18.065 1.00 0.00 O ATOM 0 H GLU A 19 5.294 11.295 13.278 1.00 0.00 H new ATOM 0 HA GLU A 19 6.872 9.826 14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.522 11.174 15.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.943 9.528 15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.346 10.543 16.926 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.708 10.758 17.513 1.00 0.00 H new ATOM 249 N ASP A 20 4.875 7.916 13.191 1.00 0.00 N ATOM 250 CA ASP A 20 4.616 6.544 12.787 1.00 0.00 C ATOM 251 C ASP A 20 5.620 6.137 11.706 1.00 0.00 C ATOM 252 O ASP A 20 6.407 5.213 11.901 1.00 0.00 O ATOM 253 CB ASP A 20 3.209 6.396 12.206 1.00 0.00 C ATOM 254 CG ASP A 20 2.158 5.864 13.183 1.00 0.00 C ATOM 255 OD1 ASP A 20 2.496 5.765 14.382 1.00 0.00 O ATOM 256 OD2 ASP A 20 1.041 5.567 12.708 1.00 0.00 O ATOM 0 H ASP A 20 4.345 8.619 12.676 1.00 0.00 H new ATOM 0 HA ASP A 20 4.710 5.910 13.669 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.881 7.368 11.837 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.256 5.727 11.347 1.00 0.00 H new ATOM 261 N LEU A 21 5.559 6.847 10.589 1.00 0.00 N ATOM 262 CA LEU A 21 6.452 6.572 9.478 1.00 0.00 C ATOM 263 C LEU A 21 7.853 6.276 10.015 1.00 0.00 C ATOM 264 O LEU A 21 8.414 5.216 9.745 1.00 0.00 O ATOM 265 CB LEU A 21 6.411 7.715 8.462 1.00 0.00 C ATOM 266 CG LEU A 21 7.292 7.543 7.222 1.00 0.00 C ATOM 267 CD1 LEU A 21 8.748 7.290 7.615 1.00 0.00 C ATOM 268 CD2 LEU A 21 6.745 6.443 6.311 1.00 0.00 C ATOM 0 H LEU A 21 4.904 7.613 10.430 1.00 0.00 H new ATOM 0 HA LEU A 21 6.124 5.684 8.937 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.380 7.847 8.135 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.705 8.635 8.968 1.00 0.00 H new ATOM 0 HG LEU A 21 7.269 8.473 6.654 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.352 7.171 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.121 8.135 8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.810 6.383 8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.389 6.341 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.719 5.499 6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.737 6.704 5.990 1.00 0.00 H new ATOM 280 N LYS A 22 8.378 7.232 10.767 1.00 0.00 N ATOM 281 CA LYS A 22 9.702 7.088 11.346 1.00 0.00 C ATOM 282 C LYS A 22 9.748 5.814 12.193 1.00 0.00 C ATOM 283 O LYS A 22 10.718 5.061 12.136 1.00 0.00 O ATOM 284 CB LYS A 22 10.093 8.351 12.115 1.00 0.00 C ATOM 285 CG LYS A 22 9.552 8.312 13.545 1.00 0.00 C ATOM 286 CD LYS A 22 10.411 7.410 14.433 1.00 0.00 C ATOM 287 CE LYS A 22 11.141 8.227 15.501 1.00 0.00 C ATOM 288 NZ LYS A 22 12.580 8.340 15.175 1.00 0.00 N ATOM 0 H LYS A 22 7.909 8.110 10.989 1.00 0.00 H new ATOM 0 HA LYS A 22 10.450 6.977 10.561 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.179 8.447 12.136 1.00 0.00 H new ATOM 0 HB3 LYS A 22 9.705 9.230 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.532 9.321 13.957 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.524 7.949 13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.782 6.659 14.911 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.137 6.875 13.820 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.699 9.221 15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.019 7.754 16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.130 8.416 16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.884 7.496 14.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 12.739 9.187 14.593 1.00 0.00 H new ATOM 302 N ASN A 23 8.686 5.613 12.959 1.00 0.00 N ATOM 303 CA ASN A 23 8.592 4.443 13.817 1.00 0.00 C ATOM 304 C ASN A 23 8.948 3.194 13.008 1.00 0.00 C ATOM 305 O ASN A 23 9.880 2.471 13.355 1.00 0.00 O ATOM 306 CB ASN A 23 7.172 4.269 14.357 1.00 0.00 C ATOM 307 CG ASN A 23 7.190 3.944 15.853 1.00 0.00 C ATOM 308 OD1 ASN A 23 8.231 3.856 16.482 1.00 0.00 O ATOM 309 ND2 ASN A 23 5.983 3.768 16.382 1.00 0.00 N ATOM 0 H ASN A 23 7.883 6.240 13.004 1.00 0.00 H new ATOM 0 HA ASN A 23 9.280 4.580 14.651 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.600 5.181 14.186 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.668 3.470 13.814 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.888 3.544 17.373 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.152 3.857 15.797 1.00 0.00 H new ATOM 316 N PHE A 24 8.185 2.979 11.946 1.00 0.00 N ATOM 317 CA PHE A 24 8.407 1.829 11.086 1.00 0.00 C ATOM 318 C PHE A 24 9.723 1.966 10.317 1.00 0.00 C ATOM 319 O PHE A 24 10.450 0.990 10.144 1.00 0.00 O ATOM 320 CB PHE A 24 7.249 1.786 10.088 1.00 0.00 C ATOM 321 CG PHE A 24 5.919 1.339 10.698 1.00 0.00 C ATOM 322 CD1 PHE A 24 5.147 2.232 11.374 1.00 0.00 C ATOM 323 CD2 PHE A 24 5.509 0.050 10.566 1.00 0.00 C ATOM 324 CE1 PHE A 24 3.912 1.817 11.941 1.00 0.00 C ATOM 325 CE2 PHE A 24 4.274 -0.365 11.132 1.00 0.00 C ATOM 326 CZ PHE A 24 3.502 0.527 11.807 1.00 0.00 C ATOM 0 H PHE A 24 7.413 3.582 11.662 1.00 0.00 H new ATOM 0 HA PHE A 24 8.460 0.921 11.686 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.122 2.777 9.651 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.509 1.110 9.274 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.473 3.256 11.480 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.123 -0.659 10.030 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.299 2.526 12.478 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.948 -1.389 11.026 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.563 0.211 12.237 1.00 0.00 H new ATOM 336 N GLU A 25 9.989 3.187 9.875 1.00 0.00 N ATOM 337 CA GLU A 25 11.203 3.465 9.128 1.00 0.00 C ATOM 338 C GLU A 25 12.394 2.746 9.765 1.00 0.00 C ATOM 339 O GLU A 25 13.345 2.383 9.075 1.00 0.00 O ATOM 340 CB GLU A 25 11.457 4.971 9.036 1.00 0.00 C ATOM 341 CG GLU A 25 12.306 5.309 7.808 1.00 0.00 C ATOM 342 CD GLU A 25 13.040 6.639 7.998 1.00 0.00 C ATOM 343 OE1 GLU A 25 12.336 7.667 8.094 1.00 0.00 O ATOM 344 OE2 GLU A 25 14.288 6.596 8.046 1.00 0.00 O ATOM 0 H GLU A 25 9.384 3.995 10.020 1.00 0.00 H new ATOM 0 HA GLU A 25 11.077 3.088 8.113 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.506 5.501 8.983 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.963 5.314 9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.029 4.513 7.631 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.669 5.364 6.925 1.00 0.00 H new ATOM 351 N ARG A 26 12.303 2.561 11.073 1.00 0.00 N ATOM 352 CA ARG A 26 13.361 1.892 11.810 1.00 0.00 C ATOM 353 C ARG A 26 13.287 0.380 11.590 1.00 0.00 C ATOM 354 O ARG A 26 14.182 -0.207 10.983 1.00 0.00 O ATOM 355 CB ARG A 26 13.260 2.187 13.308 1.00 0.00 C ATOM 356 CG ARG A 26 12.757 3.611 13.555 1.00 0.00 C ATOM 357 CD ARG A 26 13.744 4.400 14.417 1.00 0.00 C ATOM 358 NE ARG A 26 13.075 4.869 15.651 1.00 0.00 N ATOM 359 CZ ARG A 26 12.601 4.055 16.604 1.00 0.00 C ATOM 360 NH1 ARG A 26 12.719 2.726 16.471 1.00 0.00 N ATOM 361 NH2 ARG A 26 12.009 4.569 17.691 1.00 0.00 N ATOM 0 H ARG A 26 11.512 2.863 11.642 1.00 0.00 H new ATOM 0 HA ARG A 26 14.314 2.271 11.439 1.00 0.00 H new ATOM 0 HB2 ARG A 26 12.584 1.472 13.778 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.237 2.057 13.774 1.00 0.00 H new ATOM 0 HG2 ARG A 26 12.614 4.120 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 26 11.785 3.577 14.048 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.598 3.773 14.672 1.00 0.00 H new ATOM 0 HD3 ARG A 26 14.130 5.251 13.856 1.00 0.00 H new ATOM 0 HE ARG A 26 12.968 5.875 15.784 1.00 0.00 H new ATOM 0 HH11 ARG A 26 13.170 2.334 15.644 1.00 0.00 H new ATOM 0 HH12 ARG A 26 12.358 2.107 17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 26 11.919 5.580 17.793 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.648 3.949 18.416 1.00 0.00 H new ATOM 375 N LYS A 27 12.211 -0.208 12.093 1.00 0.00 N ATOM 376 CA LYS A 27 12.009 -1.640 11.958 1.00 0.00 C ATOM 377 C LYS A 27 12.442 -2.083 10.559 1.00 0.00 C ATOM 378 O LYS A 27 13.207 -3.036 10.416 1.00 0.00 O ATOM 379 CB LYS A 27 10.565 -2.012 12.301 1.00 0.00 C ATOM 380 CG LYS A 27 10.509 -3.317 13.099 1.00 0.00 C ATOM 381 CD LYS A 27 9.389 -3.274 14.140 1.00 0.00 C ATOM 382 CE LYS A 27 9.441 -4.502 15.051 1.00 0.00 C ATOM 383 NZ LYS A 27 8.159 -4.668 15.772 1.00 0.00 N ATOM 0 H LYS A 27 11.470 0.282 12.595 1.00 0.00 H new ATOM 0 HA LYS A 27 12.632 -2.181 12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.106 -1.209 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.985 -2.117 11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.349 -4.156 12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.465 -3.486 13.595 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.479 -2.368 14.739 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.422 -3.230 13.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.650 -5.393 14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.256 -4.397 15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.212 -5.506 16.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.975 -3.825 16.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.388 -4.790 15.085 1.00 0.00 H new ATOM 397 N PHE A 28 11.937 -1.370 9.564 1.00 0.00 N ATOM 398 CA PHE A 28 12.263 -1.677 8.182 1.00 0.00 C ATOM 399 C PHE A 28 13.770 -1.573 7.938 1.00 0.00 C ATOM 400 O PHE A 28 14.414 -2.560 7.584 1.00 0.00 O ATOM 401 CB PHE A 28 11.545 -0.642 7.314 1.00 0.00 C ATOM 402 CG PHE A 28 11.493 -1.006 5.828 1.00 0.00 C ATOM 403 CD1 PHE A 28 12.495 -0.614 4.996 1.00 0.00 C ATOM 404 CD2 PHE A 28 10.443 -1.720 5.339 1.00 0.00 C ATOM 405 CE1 PHE A 28 12.445 -0.953 3.618 1.00 0.00 C ATOM 406 CE2 PHE A 28 10.394 -2.057 3.961 1.00 0.00 C ATOM 407 CZ PHE A 28 11.396 -1.667 3.130 1.00 0.00 C ATOM 0 H PHE A 28 11.304 -0.580 9.687 1.00 0.00 H new ATOM 0 HA PHE A 28 11.953 -2.694 7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.527 -0.517 7.683 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.045 0.320 7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.328 -0.046 5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.647 -2.030 5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.241 -0.643 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 28 9.560 -2.623 3.573 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.359 -1.924 2.082 1.00 0.00 H new ATOM 417 N GLN A 29 14.288 -0.371 8.136 1.00 0.00 N ATOM 418 CA GLN A 29 15.707 -0.126 7.942 1.00 0.00 C ATOM 419 C GLN A 29 16.534 -1.159 8.710 1.00 0.00 C ATOM 420 O GLN A 29 17.254 -1.954 8.108 1.00 0.00 O ATOM 421 CB GLN A 29 16.080 1.297 8.363 1.00 0.00 C ATOM 422 CG GLN A 29 15.554 2.323 7.356 1.00 0.00 C ATOM 423 CD GLN A 29 15.799 3.751 7.849 1.00 0.00 C ATOM 424 OE1 GLN A 29 16.424 4.564 7.189 1.00 0.00 O ATOM 425 NE2 GLN A 29 15.273 4.008 9.043 1.00 0.00 N ATOM 0 H GLN A 29 13.751 0.445 8.429 1.00 0.00 H new ATOM 0 HA GLN A 29 15.931 -0.227 6.880 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.669 1.507 9.350 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.164 1.384 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 29 16.044 2.178 6.394 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.487 2.168 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.761 3.281 9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.382 4.933 9.460 1.00 0.00 H new ATOM 434 N SER A 30 16.403 -1.114 10.027 1.00 0.00 N ATOM 435 CA SER A 30 17.129 -2.036 10.884 1.00 0.00 C ATOM 436 C SER A 30 17.075 -3.449 10.297 1.00 0.00 C ATOM 437 O SER A 30 18.110 -4.074 10.078 1.00 0.00 O ATOM 438 CB SER A 30 16.564 -2.030 12.305 1.00 0.00 C ATOM 439 OG SER A 30 17.560 -2.335 13.277 1.00 0.00 O ATOM 0 H SER A 30 15.805 -0.453 10.522 1.00 0.00 H new ATOM 0 HA SER A 30 18.168 -1.709 10.934 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.135 -1.051 12.520 1.00 0.00 H new ATOM 0 HB3 SER A 30 15.754 -2.756 12.376 1.00 0.00 H new ATOM 0 HG SER A 30 17.160 -2.319 14.171 1.00 0.00 H new ATOM 445 N GLU A 31 15.855 -3.909 10.059 1.00 0.00 N ATOM 446 CA GLU A 31 15.652 -5.236 9.502 1.00 0.00 C ATOM 447 C GLU A 31 16.424 -5.384 8.190 1.00 0.00 C ATOM 448 O GLU A 31 16.932 -6.461 7.883 1.00 0.00 O ATOM 449 CB GLU A 31 14.163 -5.522 9.297 1.00 0.00 C ATOM 450 CG GLU A 31 13.465 -5.777 10.634 1.00 0.00 C ATOM 451 CD GLU A 31 13.520 -7.259 11.007 1.00 0.00 C ATOM 452 OE1 GLU A 31 14.634 -7.821 10.936 1.00 0.00 O ATOM 453 OE2 GLU A 31 12.446 -7.797 11.355 1.00 0.00 O ATOM 0 H GLU A 31 14.998 -3.387 10.242 1.00 0.00 H new ATOM 0 HA GLU A 31 16.035 -5.970 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.693 -4.678 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 31 14.042 -6.389 8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.940 -5.184 11.415 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.426 -5.452 10.574 1.00 0.00 H new ATOM 460 N GLN A 32 16.489 -4.286 7.451 1.00 0.00 N ATOM 461 CA GLN A 32 17.192 -4.281 6.179 1.00 0.00 C ATOM 462 C GLN A 32 18.678 -4.573 6.392 1.00 0.00 C ATOM 463 O GLN A 32 19.211 -5.535 5.841 1.00 0.00 O ATOM 464 CB GLN A 32 16.994 -2.951 5.448 1.00 0.00 C ATOM 465 CG GLN A 32 16.993 -3.153 3.932 1.00 0.00 C ATOM 466 CD GLN A 32 16.657 -1.850 3.205 1.00 0.00 C ATOM 467 OE1 GLN A 32 16.210 -0.879 3.793 1.00 0.00 O ATOM 468 NE2 GLN A 32 16.896 -1.883 1.897 1.00 0.00 N ATOM 0 H GLN A 32 16.067 -3.394 7.709 1.00 0.00 H new ATOM 0 HA GLN A 32 16.773 -5.068 5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 32 16.052 -2.498 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 32 17.788 -2.258 5.725 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.970 -3.512 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 32 16.267 -3.920 3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.271 -2.729 1.468 1.00 0.00 H new ATOM 0 HE22 GLN A 32 16.704 -1.062 1.323 1.00 0.00 H new ATOM 477 N ALA A 33 19.307 -3.725 7.193 1.00 0.00 N ATOM 478 CA ALA A 33 20.721 -3.880 7.486 1.00 0.00 C ATOM 479 C ALA A 33 20.936 -5.175 8.272 1.00 0.00 C ATOM 480 O ALA A 33 22.070 -5.620 8.444 1.00 0.00 O ATOM 481 CB ALA A 33 21.225 -2.648 8.242 1.00 0.00 C ATOM 0 H ALA A 33 18.862 -2.928 7.648 1.00 0.00 H new ATOM 0 HA ALA A 33 21.298 -3.955 6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 33 22.286 -2.765 8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 33 21.077 -1.759 7.629 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.671 -2.542 9.175 1.00 0.00 H new ATOM 487 N ALA A 34 19.830 -5.743 8.729 1.00 0.00 N ATOM 488 CA ALA A 34 19.883 -6.977 9.493 1.00 0.00 C ATOM 489 C ALA A 34 20.247 -8.134 8.560 1.00 0.00 C ATOM 490 O ALA A 34 21.039 -9.002 8.922 1.00 0.00 O ATOM 491 CB ALA A 34 18.544 -7.197 10.201 1.00 0.00 C ATOM 0 H ALA A 34 18.891 -5.371 8.585 1.00 0.00 H new ATOM 0 HA ALA A 34 20.653 -6.920 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.583 -8.123 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.346 -6.362 10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.747 -7.263 9.460 1.00 0.00 H new ATOM 497 N GLY A 35 19.650 -8.108 7.378 1.00 0.00 N ATOM 498 CA GLY A 35 19.901 -9.145 6.390 1.00 0.00 C ATOM 499 C GLY A 35 18.811 -9.154 5.317 1.00 0.00 C ATOM 500 O GLY A 35 19.085 -9.436 4.151 1.00 0.00 O ATOM 0 H GLY A 35 18.993 -7.386 7.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.873 -8.982 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.942 -10.118 6.880 1.00 0.00 H new ATOM 504 N SER A 36 17.597 -8.845 5.749 1.00 0.00 N ATOM 505 CA SER A 36 16.464 -8.814 4.839 1.00 0.00 C ATOM 506 C SER A 36 15.197 -8.410 5.595 1.00 0.00 C ATOM 507 O SER A 36 14.851 -9.020 6.605 1.00 0.00 O ATOM 508 CB SER A 36 16.267 -10.171 4.160 1.00 0.00 C ATOM 509 OG SER A 36 15.919 -11.190 5.094 1.00 0.00 O ATOM 0 H SER A 36 17.373 -8.614 6.717 1.00 0.00 H new ATOM 0 HA SER A 36 16.668 -8.076 4.063 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.485 -10.089 3.405 1.00 0.00 H new ATOM 0 HB3 SER A 36 17.183 -10.453 3.641 1.00 0.00 H new ATOM 0 HG SER A 36 15.571 -10.779 5.913 1.00 0.00 H new ATOM 515 N VAL A 37 14.539 -7.384 5.076 1.00 0.00 N ATOM 516 CA VAL A 37 13.318 -6.890 5.689 1.00 0.00 C ATOM 517 C VAL A 37 12.244 -7.979 5.625 1.00 0.00 C ATOM 518 O VAL A 37 12.041 -8.594 4.579 1.00 0.00 O ATOM 519 CB VAL A 37 12.886 -5.585 5.018 1.00 0.00 C ATOM 520 CG1 VAL A 37 11.450 -5.220 5.401 1.00 0.00 C ATOM 521 CG2 VAL A 37 13.850 -4.447 5.361 1.00 0.00 C ATOM 0 H VAL A 37 14.829 -6.881 4.237 1.00 0.00 H new ATOM 0 HA VAL A 37 13.485 -6.659 6.741 1.00 0.00 H new ATOM 0 HB VAL A 37 12.917 -5.737 3.939 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.168 -4.288 4.910 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.776 -6.015 5.084 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.382 -5.096 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.520 -3.531 4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.866 -4.296 6.440 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.852 -4.702 5.016 1.00 0.00 H new ATOM 531 N SER A 38 11.586 -8.183 6.757 1.00 0.00 N ATOM 532 CA SER A 38 10.539 -9.186 6.842 1.00 0.00 C ATOM 533 C SER A 38 9.300 -8.717 6.077 1.00 0.00 C ATOM 534 O SER A 38 9.088 -7.518 5.909 1.00 0.00 O ATOM 535 CB SER A 38 10.181 -9.485 8.300 1.00 0.00 C ATOM 536 OG SER A 38 11.091 -10.406 8.895 1.00 0.00 O ATOM 0 H SER A 38 11.758 -7.671 7.622 1.00 0.00 H new ATOM 0 HA SER A 38 10.910 -10.106 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.180 -8.556 8.871 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.170 -9.891 8.349 1.00 0.00 H new ATOM 0 HG SER A 38 10.830 -10.569 9.825 1.00 0.00 H new ATOM 542 N LYS A 39 8.515 -9.688 5.634 1.00 0.00 N ATOM 543 CA LYS A 39 7.304 -9.389 4.890 1.00 0.00 C ATOM 544 C LYS A 39 6.416 -8.458 5.720 1.00 0.00 C ATOM 545 O LYS A 39 5.812 -7.531 5.185 1.00 0.00 O ATOM 546 CB LYS A 39 6.606 -10.681 4.461 1.00 0.00 C ATOM 547 CG LYS A 39 5.432 -11.005 5.387 1.00 0.00 C ATOM 548 CD LYS A 39 4.950 -12.442 5.179 1.00 0.00 C ATOM 549 CE LYS A 39 3.847 -12.800 6.178 1.00 0.00 C ATOM 550 NZ LYS A 39 4.164 -14.070 6.866 1.00 0.00 N ATOM 0 H LYS A 39 8.694 -10.682 5.776 1.00 0.00 H new ATOM 0 HA LYS A 39 7.545 -8.862 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.248 -10.582 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.320 -11.505 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.734 -10.866 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.613 -10.312 5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.577 -12.561 4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.787 -13.131 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.738 -12.000 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.893 -12.889 5.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.406 -14.298 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.245 -14.834 6.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.064 -13.972 7.378 1.00 0.00 H new ATOM 564 N SER A 40 6.368 -8.739 7.014 1.00 0.00 N ATOM 565 CA SER A 40 5.566 -7.938 7.923 1.00 0.00 C ATOM 566 C SER A 40 6.026 -6.480 7.883 1.00 0.00 C ATOM 567 O SER A 40 5.270 -5.598 7.479 1.00 0.00 O ATOM 568 CB SER A 40 5.646 -8.481 9.352 1.00 0.00 C ATOM 569 OG SER A 40 4.362 -8.577 9.960 1.00 0.00 O ATOM 0 H SER A 40 6.871 -9.509 7.454 1.00 0.00 H new ATOM 0 HA SER A 40 4.527 -7.992 7.599 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.116 -9.465 9.340 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.283 -7.831 9.952 1.00 0.00 H new ATOM 0 HG SER A 40 4.456 -8.929 10.870 1.00 0.00 H new ATOM 575 N THR A 41 7.265 -6.272 8.305 1.00 0.00 N ATOM 576 CA THR A 41 7.835 -4.935 8.322 1.00 0.00 C ATOM 577 C THR A 41 7.776 -4.313 6.925 1.00 0.00 C ATOM 578 O THR A 41 7.834 -3.093 6.782 1.00 0.00 O ATOM 579 CB THR A 41 9.255 -5.034 8.884 1.00 0.00 C ATOM 580 OG1 THR A 41 9.087 -5.698 10.134 1.00 0.00 O ATOM 581 CG2 THR A 41 9.830 -3.668 9.261 1.00 0.00 C ATOM 0 H THR A 41 7.890 -7.006 8.638 1.00 0.00 H new ATOM 0 HA THR A 41 7.261 -4.268 8.965 1.00 0.00 H new ATOM 0 HB THR A 41 9.905 -5.511 8.150 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.960 -5.806 10.567 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.839 -3.794 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.862 -3.030 8.378 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.200 -3.205 10.020 1.00 0.00 H new ATOM 589 N GLN A 42 7.662 -5.180 5.930 1.00 0.00 N ATOM 590 CA GLN A 42 7.595 -4.731 4.550 1.00 0.00 C ATOM 591 C GLN A 42 6.226 -4.116 4.258 1.00 0.00 C ATOM 592 O GLN A 42 6.131 -2.942 3.901 1.00 0.00 O ATOM 593 CB GLN A 42 7.897 -5.879 3.585 1.00 0.00 C ATOM 594 CG GLN A 42 8.309 -5.346 2.211 1.00 0.00 C ATOM 595 CD GLN A 42 9.074 -6.408 1.418 1.00 0.00 C ATOM 596 OE1 GLN A 42 9.769 -7.248 1.965 1.00 0.00 O ATOM 597 NE2 GLN A 42 8.907 -6.324 0.100 1.00 0.00 N ATOM 0 H GLN A 42 7.614 -6.192 6.052 1.00 0.00 H new ATOM 0 HA GLN A 42 8.355 -3.964 4.401 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.694 -6.501 3.992 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.017 -6.515 3.484 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.423 -5.040 1.655 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.931 -4.459 2.332 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.311 -5.596 -0.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.375 -6.988 -0.517 1.00 0.00 H new ATOM 606 N PHE A 43 5.197 -4.935 4.420 1.00 0.00 N ATOM 607 CA PHE A 43 3.837 -4.486 4.179 1.00 0.00 C ATOM 608 C PHE A 43 3.466 -3.331 5.112 1.00 0.00 C ATOM 609 O PHE A 43 2.666 -2.469 4.752 1.00 0.00 O ATOM 610 CB PHE A 43 2.915 -5.673 4.467 1.00 0.00 C ATOM 611 CG PHE A 43 1.439 -5.296 4.604 1.00 0.00 C ATOM 612 CD1 PHE A 43 0.714 -4.973 3.500 1.00 0.00 C ATOM 613 CD2 PHE A 43 0.852 -5.285 5.831 1.00 0.00 C ATOM 614 CE1 PHE A 43 -0.656 -4.622 3.628 1.00 0.00 C ATOM 615 CE2 PHE A 43 -0.519 -4.935 5.959 1.00 0.00 C ATOM 616 CZ PHE A 43 -1.244 -4.611 4.854 1.00 0.00 C ATOM 0 H PHE A 43 5.278 -5.908 4.716 1.00 0.00 H new ATOM 0 HA PHE A 43 3.739 -4.134 3.152 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.020 -6.404 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.242 -6.159 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.180 -4.983 2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.428 -5.542 6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.231 -4.364 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -0.986 -4.926 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.286 -4.345 4.951 1.00 0.00 H new ATOM 626 N GLU A 44 4.067 -3.351 6.294 1.00 0.00 N ATOM 627 CA GLU A 44 3.811 -2.316 7.281 1.00 0.00 C ATOM 628 C GLU A 44 4.295 -0.960 6.766 1.00 0.00 C ATOM 629 O GLU A 44 3.502 -0.161 6.270 1.00 0.00 O ATOM 630 CB GLU A 44 4.468 -2.661 8.618 1.00 0.00 C ATOM 631 CG GLU A 44 3.596 -3.625 9.426 1.00 0.00 C ATOM 632 CD GLU A 44 4.246 -3.958 10.770 1.00 0.00 C ATOM 633 OE1 GLU A 44 5.235 -4.722 10.748 1.00 0.00 O ATOM 634 OE2 GLU A 44 3.739 -3.440 11.789 1.00 0.00 O ATOM 0 H GLU A 44 4.730 -4.068 6.589 1.00 0.00 H new ATOM 0 HA GLU A 44 2.735 -2.256 7.446 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.445 -3.110 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.635 -1.749 9.191 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.615 -3.180 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 3.438 -4.542 8.857 1.00 0.00 H new ATOM 641 N TYR A 45 5.595 -0.740 6.902 1.00 0.00 N ATOM 642 CA TYR A 45 6.193 0.507 6.456 1.00 0.00 C ATOM 643 C TYR A 45 5.678 0.898 5.069 1.00 0.00 C ATOM 644 O TYR A 45 5.484 2.079 4.786 1.00 0.00 O ATOM 645 CB TYR A 45 7.699 0.245 6.373 1.00 0.00 C ATOM 646 CG TYR A 45 8.511 1.441 5.874 1.00 0.00 C ATOM 647 CD1 TYR A 45 8.624 2.573 6.655 1.00 0.00 C ATOM 648 CD2 TYR A 45 9.131 1.388 4.642 1.00 0.00 C ATOM 649 CE1 TYR A 45 9.390 3.699 6.185 1.00 0.00 C ATOM 650 CE2 TYR A 45 9.897 2.514 4.172 1.00 0.00 C ATOM 651 CZ TYR A 45 9.988 3.614 4.966 1.00 0.00 C ATOM 652 OH TYR A 45 10.711 4.677 4.523 1.00 0.00 O ATOM 0 H TYR A 45 6.250 -1.404 7.314 1.00 0.00 H new ATOM 0 HA TYR A 45 5.946 1.318 7.141 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.063 -0.042 7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.874 -0.602 5.710 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.138 2.615 7.619 1.00 0.00 H new ATOM 0 HD2 TYR A 45 9.042 0.502 4.030 1.00 0.00 H new ATOM 0 HE1 TYR A 45 9.487 4.590 6.787 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.388 2.485 3.210 1.00 0.00 H new ATOM 0 HH TYR A 45 11.081 4.475 3.639 1.00 0.00 H new ATOM 662 N ALA A 46 5.473 -0.116 4.242 1.00 0.00 N ATOM 663 CA ALA A 46 4.984 0.107 2.892 1.00 0.00 C ATOM 664 C ALA A 46 3.587 0.729 2.956 1.00 0.00 C ATOM 665 O ALA A 46 3.272 1.636 2.186 1.00 0.00 O ATOM 666 CB ALA A 46 4.998 -1.214 2.118 1.00 0.00 C ATOM 0 H ALA A 46 5.637 -1.094 4.480 1.00 0.00 H new ATOM 0 HA ALA A 46 5.632 0.804 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.631 -1.046 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.016 -1.600 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.356 -1.937 2.621 1.00 0.00 H new ATOM 672 N TRP A 47 2.789 0.219 3.881 1.00 0.00 N ATOM 673 CA TRP A 47 1.434 0.714 4.056 1.00 0.00 C ATOM 674 C TRP A 47 1.517 2.186 4.463 1.00 0.00 C ATOM 675 O TRP A 47 0.664 2.988 4.086 1.00 0.00 O ATOM 676 CB TRP A 47 0.662 -0.143 5.062 1.00 0.00 C ATOM 677 CG TRP A 47 -0.705 0.426 5.445 1.00 0.00 C ATOM 678 CD1 TRP A 47 -1.194 0.642 6.674 1.00 0.00 C ATOM 679 CD2 TRP A 47 -1.745 0.848 4.538 1.00 0.00 C ATOM 680 NE1 TRP A 47 -2.469 1.169 6.626 1.00 0.00 N ATOM 681 CE2 TRP A 47 -2.815 1.298 5.286 1.00 0.00 C ATOM 682 CE3 TRP A 47 -1.781 0.849 3.133 1.00 0.00 C ATOM 683 CZ2 TRP A 47 -3.998 1.782 4.716 1.00 0.00 C ATOM 684 CZ3 TRP A 47 -2.972 1.335 2.579 1.00 0.00 C ATOM 685 CH2 TRP A 47 -4.057 1.791 3.317 1.00 0.00 C ATOM 0 H TRP A 47 3.054 -0.532 4.518 1.00 0.00 H new ATOM 0 HA TRP A 47 0.874 0.642 3.124 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.525 -1.140 4.644 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.263 -0.255 5.964 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -0.658 0.430 7.587 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.050 1.418 7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -0.956 0.503 2.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.821 2.130 5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.053 1.357 1.502 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.942 2.151 2.814 1.00 0.00 H new ATOM 696 N CYS A 48 2.553 2.497 5.229 1.00 0.00 N ATOM 697 CA CYS A 48 2.758 3.859 5.692 1.00 0.00 C ATOM 698 C CYS A 48 2.869 4.772 4.468 1.00 0.00 C ATOM 699 O CYS A 48 2.026 5.642 4.260 1.00 0.00 O ATOM 700 CB CYS A 48 3.986 3.969 6.599 1.00 0.00 C ATOM 701 SG CYS A 48 3.464 4.055 8.351 1.00 0.00 S ATOM 0 H CYS A 48 3.259 1.830 5.540 1.00 0.00 H new ATOM 0 HA CYS A 48 1.909 4.170 6.300 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.639 3.109 6.447 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.562 4.857 6.339 1.00 0.00 H new ATOM 0 HG CYS A 48 4.241 3.303 9.073 1.00 0.00 H new ATOM 707 N LEU A 49 3.916 4.539 3.690 1.00 0.00 N ATOM 708 CA LEU A 49 4.148 5.329 2.492 1.00 0.00 C ATOM 709 C LEU A 49 2.808 5.637 1.822 1.00 0.00 C ATOM 710 O LEU A 49 2.482 6.798 1.582 1.00 0.00 O ATOM 711 CB LEU A 49 5.149 4.626 1.573 1.00 0.00 C ATOM 712 CG LEU A 49 6.594 4.569 2.071 1.00 0.00 C ATOM 713 CD1 LEU A 49 6.867 5.682 3.086 1.00 0.00 C ATOM 714 CD2 LEU A 49 6.927 3.186 2.634 1.00 0.00 C ATOM 0 H LEU A 49 4.613 3.815 3.865 1.00 0.00 H new ATOM 0 HA LEU A 49 4.603 6.286 2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.803 3.606 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.139 5.129 0.606 1.00 0.00 H new ATOM 0 HG LEU A 49 7.255 4.737 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.901 5.620 3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.696 6.651 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.198 5.568 3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.960 3.173 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.262 2.963 3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.797 2.435 1.855 1.00 0.00 H new ATOM 726 N VAL A 50 2.066 4.576 1.539 1.00 0.00 N ATOM 727 CA VAL A 50 0.769 4.718 0.901 1.00 0.00 C ATOM 728 C VAL A 50 -0.207 5.374 1.880 1.00 0.00 C ATOM 729 O VAL A 50 -1.241 4.797 2.212 1.00 0.00 O ATOM 730 CB VAL A 50 0.283 3.359 0.394 1.00 0.00 C ATOM 731 CG1 VAL A 50 1.176 2.844 -0.737 1.00 0.00 C ATOM 732 CG2 VAL A 50 0.204 2.344 1.536 1.00 0.00 C ATOM 0 H VAL A 50 2.339 3.614 1.740 1.00 0.00 H new ATOM 0 HA VAL A 50 0.842 5.368 0.029 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.722 3.491 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.808 1.877 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.159 3.552 -1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.198 2.736 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.144 1.387 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.191 2.218 1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.492 2.703 2.294 1.00 0.00 H new ATOM 742 N ARG A 51 0.157 6.572 2.315 1.00 0.00 N ATOM 743 CA ARG A 51 -0.673 7.312 3.250 1.00 0.00 C ATOM 744 C ARG A 51 -0.057 8.684 3.536 1.00 0.00 C ATOM 745 O ARG A 51 -0.775 9.673 3.682 1.00 0.00 O ATOM 746 CB ARG A 51 -0.836 6.550 4.566 1.00 0.00 C ATOM 747 CG ARG A 51 -2.245 5.966 4.691 1.00 0.00 C ATOM 748 CD ARG A 51 -2.252 4.744 5.611 1.00 0.00 C ATOM 749 NE ARG A 51 -1.543 5.056 6.872 1.00 0.00 N ATOM 750 CZ ARG A 51 -1.819 4.481 8.051 1.00 0.00 C ATOM 751 NH1 ARG A 51 -2.789 3.560 8.136 1.00 0.00 N ATOM 752 NH2 ARG A 51 -1.124 4.826 9.143 1.00 0.00 N ATOM 0 H ARG A 51 1.015 7.048 2.037 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.655 7.438 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.100 5.748 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.640 7.219 5.404 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.923 6.724 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.615 5.685 3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.278 4.446 5.825 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.772 3.901 5.113 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.798 5.752 6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.317 3.297 7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.999 3.122 9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.385 5.526 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.334 4.389 10.040 1.00 0.00 H new ATOM 766 N SER A 52 1.266 8.700 3.605 1.00 0.00 N ATOM 767 CA SER A 52 1.986 9.933 3.872 1.00 0.00 C ATOM 768 C SER A 52 1.332 11.094 3.119 1.00 0.00 C ATOM 769 O SER A 52 0.607 10.878 2.149 1.00 0.00 O ATOM 770 CB SER A 52 3.459 9.807 3.475 1.00 0.00 C ATOM 771 OG SER A 52 4.173 11.023 3.679 1.00 0.00 O ATOM 0 H SER A 52 1.858 7.879 3.481 1.00 0.00 H new ATOM 0 HA SER A 52 1.941 10.131 4.943 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.924 9.011 4.057 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.528 9.517 2.426 1.00 0.00 H new ATOM 0 HG SER A 52 5.109 10.901 3.416 1.00 0.00 H new ATOM 777 N LYS A 53 1.613 12.298 3.594 1.00 0.00 N ATOM 778 CA LYS A 53 1.061 13.493 2.979 1.00 0.00 C ATOM 779 C LYS A 53 1.712 13.703 1.610 1.00 0.00 C ATOM 780 O LYS A 53 1.291 14.570 0.845 1.00 0.00 O ATOM 781 CB LYS A 53 1.201 14.693 3.917 1.00 0.00 C ATOM 782 CG LYS A 53 2.667 14.938 4.278 1.00 0.00 C ATOM 783 CD LYS A 53 3.162 16.262 3.693 1.00 0.00 C ATOM 784 CE LYS A 53 3.674 17.191 4.796 1.00 0.00 C ATOM 785 NZ LYS A 53 3.944 18.542 4.252 1.00 0.00 N ATOM 0 H LYS A 53 2.216 12.472 4.398 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.009 13.375 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.787 15.582 3.441 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.623 14.519 4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.781 14.950 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.280 14.119 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.959 16.071 2.974 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.352 16.749 3.149 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.937 17.255 5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.584 16.780 5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.291 19.160 5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.663 18.478 3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.068 18.938 3.856 1.00 0.00 H new ATOM 799 N TYR A 54 2.728 12.896 1.343 1.00 0.00 N ATOM 800 CA TYR A 54 3.441 12.982 0.080 1.00 0.00 C ATOM 801 C TYR A 54 2.988 11.882 -0.882 1.00 0.00 C ATOM 802 O TYR A 54 2.131 11.069 -0.541 1.00 0.00 O ATOM 803 CB TYR A 54 4.919 12.774 0.415 1.00 0.00 C ATOM 804 CG TYR A 54 5.670 14.065 0.745 1.00 0.00 C ATOM 805 CD1 TYR A 54 5.544 14.637 1.995 1.00 0.00 C ATOM 806 CD2 TYR A 54 6.474 14.658 -0.207 1.00 0.00 C ATOM 807 CE1 TYR A 54 6.252 15.852 2.306 1.00 0.00 C ATOM 808 CE2 TYR A 54 7.181 15.873 0.104 1.00 0.00 C ATOM 809 CZ TYR A 54 7.036 16.410 1.345 1.00 0.00 C ATOM 810 OH TYR A 54 7.703 17.558 1.638 1.00 0.00 O ATOM 0 H TYR A 54 3.075 12.179 1.980 1.00 0.00 H new ATOM 0 HA TYR A 54 3.253 13.941 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.996 12.094 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.407 12.287 -0.429 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.914 14.173 2.740 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.573 14.211 -1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.162 16.310 3.280 1.00 0.00 H new ATOM 0 HE2 TYR A 54 7.813 16.348 -0.632 1.00 0.00 H new ATOM 0 HH TYR A 54 8.224 17.842 0.858 1.00 0.00 H new ATOM 820 N ASN A 55 3.584 11.893 -2.065 1.00 0.00 N ATOM 821 CA ASN A 55 3.252 10.906 -3.079 1.00 0.00 C ATOM 822 C ASN A 55 4.500 10.084 -3.412 1.00 0.00 C ATOM 823 O ASN A 55 4.447 8.856 -3.446 1.00 0.00 O ATOM 824 CB ASN A 55 2.773 11.579 -4.367 1.00 0.00 C ATOM 825 CG ASN A 55 2.066 12.901 -4.063 1.00 0.00 C ATOM 826 OD1 ASN A 55 1.620 13.157 -2.957 1.00 0.00 O ATOM 827 ND2 ASN A 55 1.987 13.724 -5.105 1.00 0.00 N ATOM 0 H ASN A 55 4.295 12.569 -2.344 1.00 0.00 H new ATOM 0 HA ASN A 55 2.457 10.273 -2.685 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.623 11.760 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.094 10.913 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.532 14.631 -5.005 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.382 13.448 -6.004 1.00 0.00 H new ATOM 834 N GLU A 56 5.593 10.795 -3.648 1.00 0.00 N ATOM 835 CA GLU A 56 6.851 10.147 -3.977 1.00 0.00 C ATOM 836 C GLU A 56 7.060 8.915 -3.095 1.00 0.00 C ATOM 837 O GLU A 56 7.692 7.947 -3.514 1.00 0.00 O ATOM 838 CB GLU A 56 8.022 11.123 -3.842 1.00 0.00 C ATOM 839 CG GLU A 56 8.132 12.021 -5.076 1.00 0.00 C ATOM 840 CD GLU A 56 9.430 11.745 -5.839 1.00 0.00 C ATOM 841 OE1 GLU A 56 10.458 12.331 -5.438 1.00 0.00 O ATOM 842 OE2 GLU A 56 9.362 10.955 -6.805 1.00 0.00 O ATOM 0 H GLU A 56 5.633 11.814 -3.618 1.00 0.00 H new ATOM 0 HA GLU A 56 6.809 9.822 -5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.887 11.737 -2.952 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.950 10.567 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.277 11.852 -5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.099 13.068 -4.773 1.00 0.00 H new ATOM 849 N ASP A 57 6.515 8.991 -1.889 1.00 0.00 N ATOM 850 CA ASP A 57 6.634 7.893 -0.944 1.00 0.00 C ATOM 851 C ASP A 57 5.627 6.801 -1.309 1.00 0.00 C ATOM 852 O ASP A 57 5.974 5.622 -1.360 1.00 0.00 O ATOM 853 CB ASP A 57 6.331 8.359 0.481 1.00 0.00 C ATOM 854 CG ASP A 57 7.538 8.883 1.261 1.00 0.00 C ATOM 855 OD1 ASP A 57 8.669 8.626 0.796 1.00 0.00 O ATOM 856 OD2 ASP A 57 7.303 9.531 2.303 1.00 0.00 O ATOM 0 H ASP A 57 5.990 9.795 -1.545 1.00 0.00 H new ATOM 0 HA ASP A 57 7.656 7.516 -0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.577 9.145 0.437 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.894 7.528 1.034 1.00 0.00 H new ATOM 861 N ILE A 58 4.398 7.231 -1.554 1.00 0.00 N ATOM 862 CA ILE A 58 3.338 6.305 -1.914 1.00 0.00 C ATOM 863 C ILE A 58 3.913 5.197 -2.798 1.00 0.00 C ATOM 864 O ILE A 58 3.677 4.015 -2.552 1.00 0.00 O ATOM 865 CB ILE A 58 2.164 7.053 -2.550 1.00 0.00 C ATOM 866 CG1 ILE A 58 1.384 7.844 -1.497 1.00 0.00 C ATOM 867 CG2 ILE A 58 1.263 6.096 -3.332 1.00 0.00 C ATOM 868 CD1 ILE A 58 0.339 8.748 -2.155 1.00 0.00 C ATOM 0 H ILE A 58 4.113 8.209 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 58 2.934 5.825 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 58 2.564 7.773 -3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.893 7.155 -0.809 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.073 8.448 -0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.437 6.653 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.841 5.616 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.869 5.335 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.202 9.299 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.835 9.451 -2.824 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.362 8.138 -2.725 1.00 0.00 H new ATOM 880 N ARG A 59 4.656 5.618 -3.811 1.00 0.00 N ATOM 881 CA ARG A 59 5.266 4.677 -4.734 1.00 0.00 C ATOM 882 C ARG A 59 5.786 3.453 -3.977 1.00 0.00 C ATOM 883 O ARG A 59 5.457 2.319 -4.321 1.00 0.00 O ATOM 884 CB ARG A 59 6.422 5.324 -5.499 1.00 0.00 C ATOM 885 CG ARG A 59 5.934 6.518 -6.322 1.00 0.00 C ATOM 886 CD ARG A 59 7.050 7.060 -7.217 1.00 0.00 C ATOM 887 NE ARG A 59 6.622 7.030 -8.634 1.00 0.00 N ATOM 888 CZ ARG A 59 6.728 5.957 -9.429 1.00 0.00 C ATOM 889 NH1 ARG A 59 7.250 4.818 -8.952 1.00 0.00 N ATOM 890 NH2 ARG A 59 6.314 6.023 -10.702 1.00 0.00 N ATOM 0 H ARG A 59 4.849 6.599 -4.013 1.00 0.00 H new ATOM 0 HA ARG A 59 4.501 4.370 -5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.190 5.651 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.884 4.588 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.084 6.218 -6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.584 7.305 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.298 8.080 -6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.953 6.463 -7.088 1.00 0.00 H new ATOM 0 HE ARG A 59 6.221 7.880 -9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.566 4.768 -7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.331 4.001 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.918 6.890 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.395 5.206 -11.308 1.00 0.00 H new ATOM 904 N ARG A 60 6.592 3.724 -2.961 1.00 0.00 N ATOM 905 CA ARG A 60 7.161 2.660 -2.152 1.00 0.00 C ATOM 906 C ARG A 60 6.065 1.694 -1.697 1.00 0.00 C ATOM 907 O ARG A 60 6.046 0.534 -2.106 1.00 0.00 O ATOM 908 CB ARG A 60 7.876 3.224 -0.922 1.00 0.00 C ATOM 909 CG ARG A 60 9.380 3.356 -1.175 1.00 0.00 C ATOM 910 CD ARG A 60 9.783 4.823 -1.334 1.00 0.00 C ATOM 911 NE ARG A 60 11.170 4.916 -1.839 1.00 0.00 N ATOM 912 CZ ARG A 60 11.952 5.994 -1.694 1.00 0.00 C ATOM 913 NH1 ARG A 60 11.487 7.079 -1.059 1.00 0.00 N ATOM 914 NH2 ARG A 60 13.199 5.989 -2.186 1.00 0.00 N ATOM 0 H ARG A 60 6.865 4.666 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 60 7.886 2.128 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.459 4.199 -0.670 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.703 2.572 -0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 60 9.932 2.911 -0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 9.651 2.801 -2.073 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.102 5.323 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 60 9.701 5.337 -0.376 1.00 0.00 H new ATOM 0 HE ARG A 60 11.555 4.108 -2.329 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.538 7.084 -0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.083 7.900 -0.949 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.553 5.164 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.794 6.810 -2.075 1.00 0.00 H new ATOM 928 N GLY A 61 5.179 2.209 -0.858 1.00 0.00 N ATOM 929 CA GLY A 61 4.082 1.406 -0.343 1.00 0.00 C ATOM 930 C GLY A 61 3.520 0.485 -1.428 1.00 0.00 C ATOM 931 O GLY A 61 2.959 -0.566 -1.124 1.00 0.00 O ATOM 0 H GLY A 61 5.198 3.172 -0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.428 0.810 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.293 2.059 0.030 1.00 0.00 H new ATOM 935 N ILE A 62 3.692 0.913 -2.670 1.00 0.00 N ATOM 936 CA ILE A 62 3.209 0.140 -3.801 1.00 0.00 C ATOM 937 C ILE A 62 4.274 -0.882 -4.207 1.00 0.00 C ATOM 938 O ILE A 62 3.999 -2.080 -4.264 1.00 0.00 O ATOM 939 CB ILE A 62 2.782 1.068 -4.941 1.00 0.00 C ATOM 940 CG1 ILE A 62 1.850 2.168 -4.432 1.00 0.00 C ATOM 941 CG2 ILE A 62 2.158 0.272 -6.090 1.00 0.00 C ATOM 942 CD1 ILE A 62 1.610 3.226 -5.511 1.00 0.00 C ATOM 0 H ILE A 62 4.159 1.785 -2.918 1.00 0.00 H new ATOM 0 HA ILE A 62 2.316 -0.421 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 62 3.672 1.558 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.899 1.732 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.283 2.636 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.863 0.954 -6.887 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.886 -0.443 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.280 -0.263 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.944 3.997 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.560 3.677 -5.796 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.154 2.759 -6.384 1.00 0.00 H new ATOM 954 N VAL A 63 5.466 -0.371 -4.476 1.00 0.00 N ATOM 955 CA VAL A 63 6.573 -1.225 -4.874 1.00 0.00 C ATOM 956 C VAL A 63 6.695 -2.388 -3.887 1.00 0.00 C ATOM 957 O VAL A 63 6.717 -3.550 -4.290 1.00 0.00 O ATOM 958 CB VAL A 63 7.856 -0.399 -4.987 1.00 0.00 C ATOM 959 CG1 VAL A 63 7.561 1.002 -5.527 1.00 0.00 C ATOM 960 CG2 VAL A 63 8.582 -0.327 -3.643 1.00 0.00 C ATOM 0 H VAL A 63 5.690 0.623 -4.426 1.00 0.00 H new ATOM 0 HA VAL A 63 6.390 -1.653 -5.859 1.00 0.00 H new ATOM 0 HB VAL A 63 8.515 -0.899 -5.697 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.490 1.568 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.108 0.923 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.874 1.514 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.490 0.266 -3.751 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.931 0.138 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.843 -1.334 -3.316 1.00 0.00 H new ATOM 970 N LEU A 64 6.772 -2.034 -2.612 1.00 0.00 N ATOM 971 CA LEU A 64 6.891 -3.033 -1.564 1.00 0.00 C ATOM 972 C LEU A 64 5.725 -4.018 -1.670 1.00 0.00 C ATOM 973 O LEU A 64 5.926 -5.192 -1.979 1.00 0.00 O ATOM 974 CB LEU A 64 7.007 -2.361 -0.193 1.00 0.00 C ATOM 975 CG LEU A 64 7.884 -1.109 -0.132 1.00 0.00 C ATOM 976 CD1 LEU A 64 8.063 -0.635 1.312 1.00 0.00 C ATOM 977 CD2 LEU A 64 9.226 -1.346 -0.828 1.00 0.00 C ATOM 0 H LEU A 64 6.754 -1.069 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 64 7.808 -3.609 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.005 -2.096 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.400 -3.091 0.515 1.00 0.00 H new ATOM 0 HG LEU A 64 7.377 -0.310 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.690 0.256 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.089 -0.401 1.741 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.537 -1.423 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.831 -0.441 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.751 -2.165 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.054 -1.601 -1.874 1.00 0.00 H new ATOM 989 N LEU A 65 4.533 -3.505 -1.405 1.00 0.00 N ATOM 990 CA LEU A 65 3.335 -4.325 -1.466 1.00 0.00 C ATOM 991 C LEU A 65 3.327 -5.112 -2.778 1.00 0.00 C ATOM 992 O LEU A 65 3.024 -6.304 -2.790 1.00 0.00 O ATOM 993 CB LEU A 65 2.086 -3.467 -1.257 1.00 0.00 C ATOM 994 CG LEU A 65 1.709 -3.174 0.197 1.00 0.00 C ATOM 995 CD1 LEU A 65 2.926 -3.302 1.115 1.00 0.00 C ATOM 996 CD2 LEU A 65 1.037 -1.805 0.325 1.00 0.00 C ATOM 0 H LEU A 65 4.371 -2.531 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 65 3.332 -5.054 -0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.231 -2.518 -1.772 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.243 -3.964 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 65 0.983 -3.921 0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.631 -3.089 2.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.323 -4.315 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.693 -2.593 0.803 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.780 -1.622 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.721 -1.030 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.131 -1.786 -0.281 1.00 0.00 H new ATOM 1008 N GLU A 66 3.664 -4.413 -3.852 1.00 0.00 N ATOM 1009 CA GLU A 66 3.699 -5.031 -5.167 1.00 0.00 C ATOM 1010 C GLU A 66 4.645 -6.234 -5.162 1.00 0.00 C ATOM 1011 O GLU A 66 4.546 -7.109 -6.020 1.00 0.00 O ATOM 1012 CB GLU A 66 4.107 -4.018 -6.239 1.00 0.00 C ATOM 1013 CG GLU A 66 2.908 -3.178 -6.682 1.00 0.00 C ATOM 1014 CD GLU A 66 3.351 -2.017 -7.575 1.00 0.00 C ATOM 1015 OE1 GLU A 66 4.392 -1.411 -7.242 1.00 0.00 O ATOM 1016 OE2 GLU A 66 2.640 -1.763 -8.570 1.00 0.00 O ATOM 0 H GLU A 66 3.915 -3.425 -3.839 1.00 0.00 H new ATOM 0 HA GLU A 66 2.696 -5.382 -5.409 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.889 -3.366 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.527 -4.541 -7.098 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.199 -3.806 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.388 -2.790 -5.806 1.00 0.00 H new ATOM 1023 N GLU A 67 5.541 -6.239 -4.186 1.00 0.00 N ATOM 1024 CA GLU A 67 6.504 -7.320 -4.058 1.00 0.00 C ATOM 1025 C GLU A 67 5.968 -8.398 -3.114 1.00 0.00 C ATOM 1026 O GLU A 67 6.290 -9.576 -3.265 1.00 0.00 O ATOM 1027 CB GLU A 67 7.858 -6.794 -3.578 1.00 0.00 C ATOM 1028 CG GLU A 67 8.823 -6.612 -4.751 1.00 0.00 C ATOM 1029 CD GLU A 67 10.198 -7.199 -4.425 1.00 0.00 C ATOM 1030 OE1 GLU A 67 10.734 -6.830 -3.358 1.00 0.00 O ATOM 1031 OE2 GLU A 67 10.681 -8.005 -5.250 1.00 0.00 O ATOM 0 H GLU A 67 5.620 -5.511 -3.476 1.00 0.00 H new ATOM 0 HA GLU A 67 6.653 -7.767 -5.041 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.721 -5.842 -3.064 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.286 -7.488 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.418 -7.097 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.922 -5.552 -4.984 1.00 0.00 H new ATOM 1038 N LEU A 68 5.159 -7.958 -2.161 1.00 0.00 N ATOM 1039 CA LEU A 68 4.576 -8.871 -1.194 1.00 0.00 C ATOM 1040 C LEU A 68 3.375 -9.577 -1.825 1.00 0.00 C ATOM 1041 O LEU A 68 3.008 -10.676 -1.412 1.00 0.00 O ATOM 1042 CB LEU A 68 4.244 -8.135 0.105 1.00 0.00 C ATOM 1043 CG LEU A 68 5.423 -7.478 0.825 1.00 0.00 C ATOM 1044 CD1 LEU A 68 4.945 -6.373 1.769 1.00 0.00 C ATOM 1045 CD2 LEU A 68 6.274 -8.524 1.550 1.00 0.00 C ATOM 0 H LEU A 68 4.894 -6.981 -2.038 1.00 0.00 H new ATOM 0 HA LEU A 68 5.293 -9.645 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.505 -7.365 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.774 -8.841 0.789 1.00 0.00 H new ATOM 0 HG LEU A 68 6.060 -7.007 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.804 -5.923 2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.416 -5.610 1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.274 -6.797 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.105 -8.031 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.661 -9.045 2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.662 -9.242 0.827 1.00 0.00 H new ATOM 1057 N LEU A 69 2.794 -8.918 -2.816 1.00 0.00 N ATOM 1058 CA LEU A 69 1.642 -9.468 -3.509 1.00 0.00 C ATOM 1059 C LEU A 69 1.869 -10.960 -3.762 1.00 0.00 C ATOM 1060 O LEU A 69 1.129 -11.800 -3.252 1.00 0.00 O ATOM 1061 CB LEU A 69 1.346 -8.667 -4.778 1.00 0.00 C ATOM 1062 CG LEU A 69 0.057 -7.841 -4.765 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -1.161 -8.731 -4.511 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.150 -6.695 -3.755 1.00 0.00 C ATOM 0 H LEU A 69 3.100 -8.006 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 69 0.749 -9.381 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.183 -7.994 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.302 -9.359 -5.619 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.071 -7.392 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.064 -8.120 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.234 -9.481 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.054 -9.227 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.778 -6.124 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.314 -7.102 -2.757 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.981 -6.042 -4.022 1.00 0.00 H new ATOM 1076 N PRO A 70 2.922 -11.251 -4.571 1.00 0.00 N ATOM 1077 CA PRO A 70 3.257 -12.627 -4.898 1.00 0.00 C ATOM 1078 C PRO A 70 3.929 -13.324 -3.714 1.00 0.00 C ATOM 1079 O PRO A 70 3.966 -14.553 -3.651 1.00 0.00 O ATOM 1080 CB PRO A 70 4.156 -12.533 -6.120 1.00 0.00 C ATOM 1081 CG PRO A 70 4.668 -11.102 -6.153 1.00 0.00 C ATOM 1082 CD PRO A 70 3.820 -10.282 -5.193 1.00 0.00 C ATOM 0 HA PRO A 70 2.378 -13.234 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.982 -13.242 -6.053 1.00 0.00 H new ATOM 0 HB3 PRO A 70 3.605 -12.771 -7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.718 -11.065 -5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.603 -10.696 -7.163 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.438 -9.780 -4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.263 -9.507 -5.720 1.00 0.00 H new ATOM 1090 N LYS A 71 4.442 -12.511 -2.803 1.00 0.00 N ATOM 1091 CA LYS A 71 5.111 -13.035 -1.623 1.00 0.00 C ATOM 1092 C LYS A 71 4.183 -12.900 -0.415 1.00 0.00 C ATOM 1093 O LYS A 71 4.580 -12.369 0.621 1.00 0.00 O ATOM 1094 CB LYS A 71 6.470 -12.358 -1.434 1.00 0.00 C ATOM 1095 CG LYS A 71 7.289 -12.400 -2.725 1.00 0.00 C ATOM 1096 CD LYS A 71 8.745 -12.012 -2.464 1.00 0.00 C ATOM 1097 CE LYS A 71 9.524 -11.892 -3.776 1.00 0.00 C ATOM 1098 NZ LYS A 71 10.704 -11.016 -3.600 1.00 0.00 N ATOM 0 H LYS A 71 4.408 -11.493 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 71 5.324 -14.097 -1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.325 -11.323 -1.125 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.020 -12.855 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.247 -13.401 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.854 -11.721 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.782 -11.064 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.215 -12.759 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.843 -12.880 -4.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.877 -11.488 -4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.221 -10.945 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.392 -10.069 -3.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 11.329 -11.417 -2.872 1.00 0.00 H new ATOM 1112 N GLY A 72 2.965 -13.392 -0.587 1.00 0.00 N ATOM 1113 CA GLY A 72 1.977 -13.333 0.477 1.00 0.00 C ATOM 1114 C GLY A 72 0.913 -14.419 0.298 1.00 0.00 C ATOM 1115 O GLY A 72 0.839 -15.053 -0.753 1.00 0.00 O ATOM 0 H GLY A 72 2.640 -13.833 -1.447 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.469 -13.456 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.503 -12.352 0.484 1.00 0.00 H new ATOM 1119 N SER A 73 0.116 -14.598 1.340 1.00 0.00 N ATOM 1120 CA SER A 73 -0.940 -15.596 1.313 1.00 0.00 C ATOM 1121 C SER A 73 -2.091 -15.114 0.427 1.00 0.00 C ATOM 1122 O SER A 73 -1.959 -14.118 -0.283 1.00 0.00 O ATOM 1123 CB SER A 73 -1.447 -15.901 2.723 1.00 0.00 C ATOM 1124 OG SER A 73 -1.549 -17.302 2.962 1.00 0.00 O ATOM 0 H SER A 73 0.180 -14.069 2.209 1.00 0.00 H new ATOM 0 HA SER A 73 -0.530 -16.517 0.898 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.773 -15.457 3.455 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.423 -15.437 2.866 1.00 0.00 H new ATOM 0 HG SER A 73 -1.874 -17.456 3.874 1.00 0.00 H new ATOM 1130 N LYS A 74 -3.195 -15.844 0.497 1.00 0.00 N ATOM 1131 CA LYS A 74 -4.368 -15.503 -0.290 1.00 0.00 C ATOM 1132 C LYS A 74 -5.097 -14.332 0.371 1.00 0.00 C ATOM 1133 O LYS A 74 -5.225 -13.261 -0.222 1.00 0.00 O ATOM 1134 CB LYS A 74 -5.250 -16.737 -0.498 1.00 0.00 C ATOM 1135 CG LYS A 74 -5.043 -17.328 -1.894 1.00 0.00 C ATOM 1136 CD LYS A 74 -6.025 -18.470 -2.157 1.00 0.00 C ATOM 1137 CE LYS A 74 -5.356 -19.830 -1.950 1.00 0.00 C ATOM 1138 NZ LYS A 74 -6.369 -20.868 -1.658 1.00 0.00 N ATOM 0 H LYS A 74 -3.302 -16.670 1.086 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.076 -15.175 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.016 -17.487 0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.298 -16.467 -0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.175 -16.550 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.021 -17.693 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.882 -18.378 -1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.405 -18.400 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.793 -20.104 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.642 -19.769 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.897 -21.785 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.888 -20.613 -0.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.034 -20.937 -2.454 1.00 0.00 H new ATOM 1152 N GLU A 75 -5.557 -14.573 1.590 1.00 0.00 N ATOM 1153 CA GLU A 75 -6.269 -13.551 2.338 1.00 0.00 C ATOM 1154 C GLU A 75 -5.365 -12.340 2.577 1.00 0.00 C ATOM 1155 O GLU A 75 -5.848 -11.250 2.875 1.00 0.00 O ATOM 1156 CB GLU A 75 -6.799 -14.109 3.660 1.00 0.00 C ATOM 1157 CG GLU A 75 -5.659 -14.663 4.518 1.00 0.00 C ATOM 1158 CD GLU A 75 -6.147 -15.815 5.399 1.00 0.00 C ATOM 1159 OE1 GLU A 75 -7.329 -15.762 5.801 1.00 0.00 O ATOM 1160 OE2 GLU A 75 -5.325 -16.724 5.650 1.00 0.00 O ATOM 0 H GLU A 75 -5.450 -15.462 2.079 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.126 -13.228 1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.322 -13.324 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.525 -14.897 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.850 -15.010 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.251 -13.869 5.144 1.00 0.00 H new ATOM 1167 N GLU A 76 -4.068 -12.573 2.437 1.00 0.00 N ATOM 1168 CA GLU A 76 -3.092 -11.516 2.633 1.00 0.00 C ATOM 1169 C GLU A 76 -3.058 -10.591 1.414 1.00 0.00 C ATOM 1170 O GLU A 76 -2.794 -9.397 1.543 1.00 0.00 O ATOM 1171 CB GLU A 76 -1.705 -12.095 2.920 1.00 0.00 C ATOM 1172 CG GLU A 76 -1.633 -12.669 4.337 1.00 0.00 C ATOM 1173 CD GLU A 76 -0.201 -12.626 4.873 1.00 0.00 C ATOM 1174 OE1 GLU A 76 0.192 -11.541 5.354 1.00 0.00 O ATOM 1175 OE2 GLU A 76 0.468 -13.678 4.790 1.00 0.00 O ATOM 0 H GLU A 76 -3.671 -13.479 2.190 1.00 0.00 H new ATOM 0 HA GLU A 76 -3.392 -10.930 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.476 -12.876 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.950 -11.318 2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.289 -12.102 4.997 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.994 -13.697 4.336 1.00 0.00 H new ATOM 1182 N GLN A 77 -3.329 -11.178 0.258 1.00 0.00 N ATOM 1183 CA GLN A 77 -3.333 -10.423 -0.983 1.00 0.00 C ATOM 1184 C GLN A 77 -4.515 -9.450 -1.008 1.00 0.00 C ATOM 1185 O GLN A 77 -4.490 -8.456 -1.732 1.00 0.00 O ATOM 1186 CB GLN A 77 -3.366 -11.357 -2.194 1.00 0.00 C ATOM 1187 CG GLN A 77 -1.959 -11.840 -2.552 1.00 0.00 C ATOM 1188 CD GLN A 77 -1.953 -12.559 -3.903 1.00 0.00 C ATOM 1189 OE1 GLN A 77 -2.737 -12.270 -4.792 1.00 0.00 O ATOM 1190 NE2 GLN A 77 -1.027 -13.508 -4.006 1.00 0.00 N ATOM 0 H GLN A 77 -3.548 -12.169 0.155 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.410 -9.845 -1.037 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.005 -12.214 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.804 -10.838 -3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.277 -10.991 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -1.593 -12.513 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.402 -13.698 -3.222 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.941 -14.045 -4.869 1.00 0.00 H new ATOM 1199 N ARG A 78 -5.522 -9.772 -0.210 1.00 0.00 N ATOM 1200 CA ARG A 78 -6.711 -8.940 -0.131 1.00 0.00 C ATOM 1201 C ARG A 78 -6.381 -7.605 0.540 1.00 0.00 C ATOM 1202 O ARG A 78 -6.837 -6.553 0.095 1.00 0.00 O ATOM 1203 CB ARG A 78 -7.820 -9.638 0.656 1.00 0.00 C ATOM 1204 CG ARG A 78 -8.609 -10.596 -0.241 1.00 0.00 C ATOM 1205 CD ARG A 78 -7.863 -11.920 -0.418 1.00 0.00 C ATOM 1206 NE ARG A 78 -8.758 -13.052 -0.088 1.00 0.00 N ATOM 1207 CZ ARG A 78 -8.583 -14.302 -0.538 1.00 0.00 C ATOM 1208 NH1 ARG A 78 -7.547 -14.588 -1.338 1.00 0.00 N ATOM 1209 NH2 ARG A 78 -9.445 -15.267 -0.187 1.00 0.00 N ATOM 0 H ARG A 78 -5.539 -10.598 0.388 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.060 -8.763 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.387 -10.189 1.491 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.494 -8.894 1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.590 -10.783 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.775 -10.135 -1.215 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.508 -12.013 -1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.984 -11.941 0.226 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.557 -12.869 0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.891 -13.854 -1.605 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.414 -15.540 -1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.234 -15.050 0.422 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.312 -16.219 -0.529 1.00 0.00 H new ATOM 1223 N ASP A 79 -5.590 -7.692 1.600 1.00 0.00 N ATOM 1224 CA ASP A 79 -5.193 -6.505 2.338 1.00 0.00 C ATOM 1225 C ASP A 79 -4.212 -5.689 1.493 1.00 0.00 C ATOM 1226 O ASP A 79 -4.116 -4.473 1.647 1.00 0.00 O ATOM 1227 CB ASP A 79 -4.496 -6.876 3.647 1.00 0.00 C ATOM 1228 CG ASP A 79 -5.434 -7.277 4.788 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -6.415 -7.992 4.492 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -5.148 -6.858 5.931 1.00 0.00 O ATOM 0 H ASP A 79 -5.213 -8.567 1.965 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.092 -5.930 2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.809 -7.700 3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -3.893 -6.028 3.973 1.00 0.00 H new ATOM 1235 N TYR A 80 -3.506 -6.393 0.620 1.00 0.00 N ATOM 1236 CA TYR A 80 -2.534 -5.750 -0.248 1.00 0.00 C ATOM 1237 C TYR A 80 -3.228 -4.876 -1.295 1.00 0.00 C ATOM 1238 O TYR A 80 -3.245 -3.652 -1.174 1.00 0.00 O ATOM 1239 CB TYR A 80 -1.790 -6.883 -0.959 1.00 0.00 C ATOM 1240 CG TYR A 80 -0.810 -7.642 -0.062 1.00 0.00 C ATOM 1241 CD1 TYR A 80 -0.449 -7.120 1.164 1.00 0.00 C ATOM 1242 CD2 TYR A 80 -0.287 -8.849 -0.479 1.00 0.00 C ATOM 1243 CE1 TYR A 80 0.473 -7.835 2.007 1.00 0.00 C ATOM 1244 CE2 TYR A 80 0.635 -9.564 0.365 1.00 0.00 C ATOM 1245 CZ TYR A 80 0.970 -9.022 1.567 1.00 0.00 C ATOM 1246 OH TYR A 80 1.841 -9.697 2.364 1.00 0.00 O ATOM 0 H TYR A 80 -3.588 -7.402 0.495 1.00 0.00 H new ATOM 0 HA TYR A 80 -1.868 -5.109 0.330 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.519 -7.587 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.245 -6.470 -1.808 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.858 -6.175 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.569 -9.257 -1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.764 -7.437 2.968 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.051 -10.510 0.051 1.00 0.00 H new ATOM 0 HH TYR A 80 2.112 -10.528 1.922 1.00 0.00 H new ATOM 1256 N VAL A 81 -3.784 -5.539 -2.298 1.00 0.00 N ATOM 1257 CA VAL A 81 -4.478 -4.838 -3.365 1.00 0.00 C ATOM 1258 C VAL A 81 -5.226 -3.639 -2.779 1.00 0.00 C ATOM 1259 O VAL A 81 -5.113 -2.524 -3.286 1.00 0.00 O ATOM 1260 CB VAL A 81 -5.394 -5.806 -4.118 1.00 0.00 C ATOM 1261 CG1 VAL A 81 -6.038 -5.122 -5.326 1.00 0.00 C ATOM 1262 CG2 VAL A 81 -4.634 -7.065 -4.539 1.00 0.00 C ATOM 0 H VAL A 81 -3.768 -6.554 -2.394 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.766 -4.452 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.192 -6.109 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.684 -5.831 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.630 -4.271 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.260 -4.776 -6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.308 -7.736 -5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.806 -6.789 -5.192 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.246 -7.569 -3.654 1.00 0.00 H new ATOM 1272 N PHE A 82 -5.974 -3.909 -1.719 1.00 0.00 N ATOM 1273 CA PHE A 82 -6.741 -2.865 -1.060 1.00 0.00 C ATOM 1274 C PHE A 82 -5.910 -1.591 -0.902 1.00 0.00 C ATOM 1275 O PHE A 82 -6.420 -0.487 -1.079 1.00 0.00 O ATOM 1276 CB PHE A 82 -7.112 -3.393 0.327 1.00 0.00 C ATOM 1277 CG PHE A 82 -7.906 -2.401 1.179 1.00 0.00 C ATOM 1278 CD1 PHE A 82 -8.976 -1.751 0.646 1.00 0.00 C ATOM 1279 CD2 PHE A 82 -7.542 -2.169 2.468 1.00 0.00 C ATOM 1280 CE1 PHE A 82 -9.711 -0.829 1.436 1.00 0.00 C ATOM 1281 CE2 PHE A 82 -8.279 -1.246 3.259 1.00 0.00 C ATOM 1282 CZ PHE A 82 -9.348 -0.596 2.726 1.00 0.00 C ATOM 0 H PHE A 82 -6.065 -4.835 -1.300 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.623 -2.620 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.696 -4.306 0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.199 -3.663 0.858 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.266 -1.937 -0.378 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.693 -2.686 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.559 -0.312 1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -7.990 -1.061 4.283 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.909 0.105 3.327 1.00 0.00 H new ATOM 1292 N TYR A 83 -4.642 -1.787 -0.568 1.00 0.00 N ATOM 1293 CA TYR A 83 -3.735 -0.667 -0.384 1.00 0.00 C ATOM 1294 C TYR A 83 -3.189 -0.177 -1.727 1.00 0.00 C ATOM 1295 O TYR A 83 -3.189 1.022 -2.000 1.00 0.00 O ATOM 1296 CB TYR A 83 -2.576 -1.197 0.461 1.00 0.00 C ATOM 1297 CG TYR A 83 -2.907 -1.350 1.948 1.00 0.00 C ATOM 1298 CD1 TYR A 83 -4.175 -1.052 2.405 1.00 0.00 C ATOM 1299 CD2 TYR A 83 -1.939 -1.782 2.830 1.00 0.00 C ATOM 1300 CE1 TYR A 83 -4.488 -1.195 3.803 1.00 0.00 C ATOM 1301 CE2 TYR A 83 -2.251 -1.925 4.228 1.00 0.00 C ATOM 1302 CZ TYR A 83 -3.510 -1.625 4.647 1.00 0.00 C ATOM 1303 OH TYR A 83 -3.805 -1.760 5.967 1.00 0.00 O ATOM 0 H TYR A 83 -4.222 -2.705 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 83 -4.249 0.169 0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.266 -2.165 0.067 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.726 -0.523 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.932 -0.712 1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -0.947 -2.013 2.472 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.476 -0.966 4.174 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.502 -2.263 4.929 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.554 -0.941 6.444 1.00 0.00 H new ATOM 1313 N LEU A 84 -2.736 -1.130 -2.528 1.00 0.00 N ATOM 1314 CA LEU A 84 -2.188 -0.810 -3.836 1.00 0.00 C ATOM 1315 C LEU A 84 -3.089 0.219 -4.523 1.00 0.00 C ATOM 1316 O LEU A 84 -2.599 1.167 -5.135 1.00 0.00 O ATOM 1317 CB LEU A 84 -1.976 -2.085 -4.653 1.00 0.00 C ATOM 1318 CG LEU A 84 -0.680 -2.851 -4.378 1.00 0.00 C ATOM 1319 CD1 LEU A 84 -0.711 -3.502 -2.995 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.399 -3.869 -5.486 1.00 0.00 C ATOM 0 H LEU A 84 -2.737 -2.124 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.202 -0.355 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.816 -2.754 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.003 -1.823 -5.711 1.00 0.00 H new ATOM 0 HG LEU A 84 0.145 -2.139 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.222 -4.040 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.830 -2.732 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.547 -4.199 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.527 -4.400 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.221 -4.582 -5.542 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.303 -3.351 -6.440 1.00 0.00 H new ATOM 1332 N ALA A 85 -4.389 -0.004 -4.400 1.00 0.00 N ATOM 1333 CA ALA A 85 -5.362 0.892 -5.003 1.00 0.00 C ATOM 1334 C ALA A 85 -5.343 2.231 -4.262 1.00 0.00 C ATOM 1335 O ALA A 85 -5.279 3.288 -4.886 1.00 0.00 O ATOM 1336 CB ALA A 85 -6.743 0.234 -4.982 1.00 0.00 C ATOM 0 H ALA A 85 -4.792 -0.792 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.110 1.088 -6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.473 0.906 -5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.710 -0.699 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.031 0.026 -3.952 1.00 0.00 H new ATOM 1342 N VAL A 86 -5.399 2.141 -2.941 1.00 0.00 N ATOM 1343 CA VAL A 86 -5.389 3.331 -2.109 1.00 0.00 C ATOM 1344 C VAL A 86 -4.224 4.231 -2.528 1.00 0.00 C ATOM 1345 O VAL A 86 -4.419 5.407 -2.828 1.00 0.00 O ATOM 1346 CB VAL A 86 -5.340 2.938 -0.632 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -4.702 4.044 0.210 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -6.735 2.586 -0.111 1.00 0.00 C ATOM 0 H VAL A 86 -5.451 1.262 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.307 3.902 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.716 2.049 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.680 3.738 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.685 4.224 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.286 4.959 0.112 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -6.671 2.310 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.393 3.448 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.136 1.748 -0.682 1.00 0.00 H new ATOM 1358 N GLY A 87 -3.036 3.642 -2.532 1.00 0.00 N ATOM 1359 CA GLY A 87 -1.839 4.376 -2.908 1.00 0.00 C ATOM 1360 C GLY A 87 -1.920 4.849 -4.361 1.00 0.00 C ATOM 1361 O GLY A 87 -1.724 6.030 -4.645 1.00 0.00 O ATOM 0 H GLY A 87 -2.877 2.666 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -1.712 5.235 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.963 3.741 -2.777 1.00 0.00 H new ATOM 1365 N ASN A 88 -2.208 3.903 -5.242 1.00 0.00 N ATOM 1366 CA ASN A 88 -2.317 4.207 -6.659 1.00 0.00 C ATOM 1367 C ASN A 88 -3.299 5.365 -6.853 1.00 0.00 C ATOM 1368 O ASN A 88 -2.965 6.367 -7.483 1.00 0.00 O ATOM 1369 CB ASN A 88 -2.845 3.004 -7.442 1.00 0.00 C ATOM 1370 CG ASN A 88 -1.695 2.205 -8.060 1.00 0.00 C ATOM 1371 OD1 ASN A 88 -0.946 2.688 -8.893 1.00 0.00 O ATOM 1372 ND2 ASN A 88 -1.596 0.959 -7.606 1.00 0.00 N ATOM 0 H ASN A 88 -2.369 2.925 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.324 4.468 -7.025 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.425 2.361 -6.780 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.520 3.344 -8.228 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.860 0.346 -7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -2.256 0.617 -6.908 1.00 0.00 H new ATOM 1379 N TYR A 89 -4.490 5.187 -6.301 1.00 0.00 N ATOM 1380 CA TYR A 89 -5.522 6.204 -6.406 1.00 0.00 C ATOM 1381 C TYR A 89 -4.961 7.590 -6.084 1.00 0.00 C ATOM 1382 O TYR A 89 -5.217 8.550 -6.809 1.00 0.00 O ATOM 1383 CB TYR A 89 -6.580 5.840 -5.362 1.00 0.00 C ATOM 1384 CG TYR A 89 -7.440 7.022 -4.909 1.00 0.00 C ATOM 1385 CD1 TYR A 89 -8.469 7.474 -5.710 1.00 0.00 C ATOM 1386 CD2 TYR A 89 -7.186 7.638 -3.700 1.00 0.00 C ATOM 1387 CE1 TYR A 89 -9.278 8.586 -5.284 1.00 0.00 C ATOM 1388 CE2 TYR A 89 -7.995 8.750 -3.274 1.00 0.00 C ATOM 1389 CZ TYR A 89 -9.001 9.169 -4.087 1.00 0.00 C ATOM 1390 OH TYR A 89 -9.765 10.220 -3.685 1.00 0.00 O ATOM 0 H TYR A 89 -4.763 4.354 -5.780 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.926 6.237 -7.418 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.230 5.067 -5.773 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.084 5.410 -4.492 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.667 6.993 -6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.380 7.286 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.087 8.949 -5.901 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.807 9.240 -2.330 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.454 10.535 -2.811 1.00 0.00 H new ATOM 1400 N ARG A 90 -4.206 7.651 -4.998 1.00 0.00 N ATOM 1401 CA ARG A 90 -3.606 8.903 -4.572 1.00 0.00 C ATOM 1402 C ARG A 90 -2.793 9.519 -5.713 1.00 0.00 C ATOM 1403 O ARG A 90 -2.722 10.740 -5.841 1.00 0.00 O ATOM 1404 CB ARG A 90 -2.694 8.694 -3.361 1.00 0.00 C ATOM 1405 CG ARG A 90 -2.980 9.732 -2.274 1.00 0.00 C ATOM 1406 CD ARG A 90 -2.191 11.019 -2.523 1.00 0.00 C ATOM 1407 NE ARG A 90 -2.996 12.193 -2.119 1.00 0.00 N ATOM 1408 CZ ARG A 90 -2.630 13.464 -2.331 1.00 0.00 C ATOM 1409 NH1 ARG A 90 -1.470 13.734 -2.944 1.00 0.00 N ATOM 1410 NH2 ARG A 90 -3.424 14.466 -1.929 1.00 0.00 N ATOM 0 H ARG A 90 -3.996 6.852 -4.399 1.00 0.00 H new ATOM 0 HA ARG A 90 -4.415 9.578 -4.292 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.841 7.691 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.651 8.764 -3.670 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.047 9.954 -2.250 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.718 9.323 -1.298 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.257 10.997 -1.961 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.926 11.095 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.886 12.024 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.865 12.972 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -1.192 14.702 -3.105 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.307 14.261 -1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.145 15.434 -2.090 1.00 0.00 H new ATOM 1424 N LEU A 91 -2.200 8.644 -6.513 1.00 0.00 N ATOM 1425 CA LEU A 91 -1.396 9.085 -7.639 1.00 0.00 C ATOM 1426 C LEU A 91 -2.302 9.314 -8.849 1.00 0.00 C ATOM 1427 O LEU A 91 -1.820 9.526 -9.960 1.00 0.00 O ATOM 1428 CB LEU A 91 -0.256 8.098 -7.903 1.00 0.00 C ATOM 1429 CG LEU A 91 0.927 8.166 -6.935 1.00 0.00 C ATOM 1430 CD1 LEU A 91 0.493 7.810 -5.512 1.00 0.00 C ATOM 1431 CD2 LEU A 91 2.082 7.287 -7.419 1.00 0.00 C ATOM 0 H LEU A 91 -2.261 7.632 -6.403 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.917 10.038 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.664 7.087 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.117 8.266 -8.913 1.00 0.00 H new ATOM 0 HG LEU A 91 1.291 9.193 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.353 7.866 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.272 8.512 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.088 6.798 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.910 7.353 -6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.747 6.252 -7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.413 7.629 -8.400 1.00 0.00 H new ATOM 1443 N LYS A 92 -3.602 9.265 -8.594 1.00 0.00 N ATOM 1444 CA LYS A 92 -4.581 9.466 -9.648 1.00 0.00 C ATOM 1445 C LYS A 92 -4.534 8.279 -10.613 1.00 0.00 C ATOM 1446 O LYS A 92 -5.159 8.311 -11.672 1.00 0.00 O ATOM 1447 CB LYS A 92 -4.366 10.819 -10.328 1.00 0.00 C ATOM 1448 CG LYS A 92 -5.215 11.906 -9.664 1.00 0.00 C ATOM 1449 CD LYS A 92 -4.440 12.598 -8.541 1.00 0.00 C ATOM 1450 CE LYS A 92 -4.598 14.117 -8.621 1.00 0.00 C ATOM 1451 NZ LYS A 92 -5.166 14.646 -7.361 1.00 0.00 N ATOM 0 H LYS A 92 -4.000 9.089 -7.671 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.588 9.501 -9.232 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.312 11.093 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.625 10.745 -11.384 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -5.517 12.642 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.128 11.465 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.797 12.242 -7.575 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.384 12.335 -8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -3.630 14.580 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.247 14.378 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.267 15.679 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.099 14.218 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.532 14.414 -6.570 1.00 0.00 H new ATOM 1465 N GLU A 93 -3.787 7.260 -10.213 1.00 0.00 N ATOM 1466 CA GLU A 93 -3.651 6.066 -11.028 1.00 0.00 C ATOM 1467 C GLU A 93 -4.906 5.198 -10.911 1.00 0.00 C ATOM 1468 O GLU A 93 -4.819 4.017 -10.581 1.00 0.00 O ATOM 1469 CB GLU A 93 -2.400 5.277 -10.640 1.00 0.00 C ATOM 1470 CG GLU A 93 -1.130 6.027 -11.045 1.00 0.00 C ATOM 1471 CD GLU A 93 -1.056 6.201 -12.564 1.00 0.00 C ATOM 1472 OE1 GLU A 93 -0.967 5.160 -13.250 1.00 0.00 O ATOM 1473 OE2 GLU A 93 -1.091 7.370 -13.004 1.00 0.00 O ATOM 0 H GLU A 93 -3.270 7.237 -9.334 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.539 6.371 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.396 5.102 -9.564 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.418 4.300 -11.122 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.111 7.004 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.254 5.481 -10.695 1.00 0.00 H new ATOM 1480 N TYR A 94 -6.043 5.817 -11.190 1.00 0.00 N ATOM 1481 CA TYR A 94 -7.314 5.115 -11.120 1.00 0.00 C ATOM 1482 C TYR A 94 -7.239 3.773 -11.850 1.00 0.00 C ATOM 1483 O TYR A 94 -7.655 2.747 -11.314 1.00 0.00 O ATOM 1484 CB TYR A 94 -8.331 6.012 -11.830 1.00 0.00 C ATOM 1485 CG TYR A 94 -8.323 7.464 -11.346 1.00 0.00 C ATOM 1486 CD1 TYR A 94 -7.896 7.763 -10.069 1.00 0.00 C ATOM 1487 CD2 TYR A 94 -8.745 8.473 -12.187 1.00 0.00 C ATOM 1488 CE1 TYR A 94 -7.890 9.130 -9.614 1.00 0.00 C ATOM 1489 CE2 TYR A 94 -8.738 9.839 -11.733 1.00 0.00 C ATOM 1490 CZ TYR A 94 -8.311 10.101 -10.468 1.00 0.00 C ATOM 1491 OH TYR A 94 -8.304 11.391 -10.039 1.00 0.00 O ATOM 0 H TYR A 94 -6.111 6.797 -11.465 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.585 4.914 -10.084 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.130 5.995 -12.901 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -9.329 5.597 -11.687 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.566 6.973 -9.411 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.081 8.238 -13.186 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.558 9.378 -8.617 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.064 10.638 -12.382 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.190 11.787 -10.178 1.00 0.00 H new ATOM 1501 N GLU A 95 -6.706 3.823 -13.062 1.00 0.00 N ATOM 1502 CA GLU A 95 -6.572 2.624 -13.871 1.00 0.00 C ATOM 1503 C GLU A 95 -6.088 1.454 -13.010 1.00 0.00 C ATOM 1504 O GLU A 95 -6.857 0.544 -12.705 1.00 0.00 O ATOM 1505 CB GLU A 95 -5.629 2.862 -15.052 1.00 0.00 C ATOM 1506 CG GLU A 95 -6.239 3.849 -16.049 1.00 0.00 C ATOM 1507 CD GLU A 95 -7.135 3.127 -17.058 1.00 0.00 C ATOM 1508 OE1 GLU A 95 -7.907 2.252 -16.607 1.00 0.00 O ATOM 1509 OE2 GLU A 95 -7.030 3.466 -18.256 1.00 0.00 O ATOM 0 H GLU A 95 -6.362 4.676 -13.503 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.552 2.371 -14.276 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.676 3.248 -14.689 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.421 1.916 -15.552 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.820 4.600 -15.513 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.444 4.377 -16.576 1.00 0.00 H new ATOM 1516 N LYS A 96 -4.816 1.517 -12.645 1.00 0.00 N ATOM 1517 CA LYS A 96 -4.221 0.475 -11.825 1.00 0.00 C ATOM 1518 C LYS A 96 -5.090 0.246 -10.588 1.00 0.00 C ATOM 1519 O LYS A 96 -5.459 -0.887 -10.285 1.00 0.00 O ATOM 1520 CB LYS A 96 -2.765 0.816 -11.499 1.00 0.00 C ATOM 1521 CG LYS A 96 -1.902 0.800 -12.762 1.00 0.00 C ATOM 1522 CD LYS A 96 -0.708 1.747 -12.623 1.00 0.00 C ATOM 1523 CE LYS A 96 0.236 1.619 -13.821 1.00 0.00 C ATOM 1524 NZ LYS A 96 1.634 1.462 -13.364 1.00 0.00 N ATOM 0 H LYS A 96 -4.181 2.273 -12.902 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.189 -0.468 -12.371 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.714 1.800 -11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.373 0.100 -10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.547 -0.213 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.504 1.093 -13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.062 2.775 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.167 1.523 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.053 0.762 -14.429 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.151 2.502 -14.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.261 1.377 -14.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.911 2.293 -12.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.714 0.606 -12.778 1.00 0.00 H new ATOM 1538 N ALA A 97 -5.393 1.341 -9.905 1.00 0.00 N ATOM 1539 CA ALA A 97 -6.213 1.273 -8.707 1.00 0.00 C ATOM 1540 C ALA A 97 -7.384 0.319 -8.948 1.00 0.00 C ATOM 1541 O ALA A 97 -7.433 -0.767 -8.373 1.00 0.00 O ATOM 1542 CB ALA A 97 -6.675 2.681 -8.326 1.00 0.00 C ATOM 0 H ALA A 97 -5.085 2.280 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.637 0.880 -7.869 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.290 2.631 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.806 3.310 -8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.259 3.106 -9.143 1.00 0.00 H new ATOM 1548 N LEU A 98 -8.298 0.760 -9.801 1.00 0.00 N ATOM 1549 CA LEU A 98 -9.466 -0.042 -10.125 1.00 0.00 C ATOM 1550 C LEU A 98 -9.024 -1.469 -10.455 1.00 0.00 C ATOM 1551 O LEU A 98 -9.405 -2.415 -9.768 1.00 0.00 O ATOM 1552 CB LEU A 98 -10.279 0.623 -11.238 1.00 0.00 C ATOM 1553 CG LEU A 98 -11.523 1.392 -10.790 1.00 0.00 C ATOM 1554 CD1 LEU A 98 -11.976 2.378 -11.870 1.00 0.00 C ATOM 1555 CD2 LEU A 98 -12.644 0.433 -10.384 1.00 0.00 C ATOM 0 H LEU A 98 -8.253 1.661 -10.277 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.135 -0.106 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.626 1.309 -11.777 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.587 -0.147 -11.946 1.00 0.00 H new ATOM 0 HG LEU A 98 -11.264 1.977 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -12.862 2.912 -11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.177 3.092 -12.069 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.212 1.833 -12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -13.517 1.006 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.910 -0.197 -11.233 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -12.305 -0.194 -9.559 1.00 0.00 H new ATOM 1567 N LYS A 99 -8.226 -1.579 -11.507 1.00 0.00 N ATOM 1568 CA LYS A 99 -7.728 -2.875 -11.936 1.00 0.00 C ATOM 1569 C LYS A 99 -7.415 -3.730 -10.706 1.00 0.00 C ATOM 1570 O LYS A 99 -7.569 -4.949 -10.738 1.00 0.00 O ATOM 1571 CB LYS A 99 -6.540 -2.705 -12.885 1.00 0.00 C ATOM 1572 CG LYS A 99 -6.188 -4.030 -13.565 1.00 0.00 C ATOM 1573 CD LYS A 99 -5.097 -3.832 -14.619 1.00 0.00 C ATOM 1574 CE LYS A 99 -5.660 -4.008 -16.031 1.00 0.00 C ATOM 1575 NZ LYS A 99 -5.094 -5.218 -16.668 1.00 0.00 N ATOM 0 H LYS A 99 -7.912 -0.792 -12.075 1.00 0.00 H new ATOM 0 HA LYS A 99 -8.490 -3.405 -12.507 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.778 -1.956 -13.641 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.677 -2.336 -12.331 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.851 -4.748 -12.818 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.078 -4.451 -14.032 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.665 -2.837 -14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.292 -4.548 -14.453 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.746 -4.087 -15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.427 -3.130 -16.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.487 -5.322 -17.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.060 -5.128 -16.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.338 -6.055 -16.101 1.00 0.00 H new ATOM 1589 N TYR A 100 -6.984 -3.055 -9.651 1.00 0.00 N ATOM 1590 CA TYR A 100 -6.648 -3.737 -8.413 1.00 0.00 C ATOM 1591 C TYR A 100 -7.868 -3.837 -7.494 1.00 0.00 C ATOM 1592 O TYR A 100 -8.090 -4.869 -6.862 1.00 0.00 O ATOM 1593 CB TYR A 100 -5.581 -2.876 -7.732 1.00 0.00 C ATOM 1594 CG TYR A 100 -4.169 -3.459 -7.812 1.00 0.00 C ATOM 1595 CD1 TYR A 100 -3.971 -4.815 -7.654 1.00 0.00 C ATOM 1596 CD2 TYR A 100 -3.092 -2.626 -8.041 1.00 0.00 C ATOM 1597 CE1 TYR A 100 -2.642 -5.362 -7.729 1.00 0.00 C ATOM 1598 CE2 TYR A 100 -1.762 -3.174 -8.116 1.00 0.00 C ATOM 1599 CZ TYR A 100 -1.603 -4.515 -7.956 1.00 0.00 C ATOM 1600 OH TYR A 100 -0.347 -5.032 -8.026 1.00 0.00 O ATOM 0 H TYR A 100 -6.860 -2.043 -9.628 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.301 -4.750 -8.615 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -5.581 -1.886 -8.189 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -5.850 -2.743 -6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -4.814 -5.466 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -3.247 -1.564 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -2.474 -6.422 -7.608 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.910 -2.534 -8.295 1.00 0.00 H new ATOM 0 HH TYR A 100 0.291 -4.315 -8.225 1.00 0.00 H new ATOM 1610 N VAL A 101 -8.626 -2.752 -7.450 1.00 0.00 N ATOM 1611 CA VAL A 101 -9.817 -2.704 -6.619 1.00 0.00 C ATOM 1612 C VAL A 101 -10.856 -3.684 -7.168 1.00 0.00 C ATOM 1613 O VAL A 101 -11.376 -4.521 -6.432 1.00 0.00 O ATOM 1614 CB VAL A 101 -10.338 -1.268 -6.532 1.00 0.00 C ATOM 1615 CG1 VAL A 101 -11.787 -1.180 -7.016 1.00 0.00 C ATOM 1616 CG2 VAL A 101 -10.199 -0.720 -5.111 1.00 0.00 C ATOM 0 H VAL A 101 -8.439 -1.899 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.584 -3.013 -5.600 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.728 -0.649 -7.190 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -12.133 -0.149 -6.944 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.845 -1.510 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -12.417 -1.818 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.576 0.302 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.772 -1.342 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.149 -0.729 -4.819 1.00 0.00 H new ATOM 1626 N ARG A 102 -11.127 -3.548 -8.458 1.00 0.00 N ATOM 1627 CA ARG A 102 -12.095 -4.412 -9.114 1.00 0.00 C ATOM 1628 C ARG A 102 -11.685 -5.878 -8.963 1.00 0.00 C ATOM 1629 O ARG A 102 -12.539 -6.763 -8.916 1.00 0.00 O ATOM 1630 CB ARG A 102 -12.215 -4.074 -10.601 1.00 0.00 C ATOM 1631 CG ARG A 102 -12.567 -2.598 -10.802 1.00 0.00 C ATOM 1632 CD ARG A 102 -13.949 -2.282 -10.226 1.00 0.00 C ATOM 1633 NE ARG A 102 -14.904 -2.008 -11.322 1.00 0.00 N ATOM 1634 CZ ARG A 102 -16.229 -1.903 -11.156 1.00 0.00 C ATOM 1635 NH1 ARG A 102 -16.764 -2.046 -9.935 1.00 0.00 N ATOM 1636 NH2 ARG A 102 -17.020 -1.653 -12.208 1.00 0.00 N ATOM 0 H ARG A 102 -10.694 -2.853 -9.066 1.00 0.00 H new ATOM 0 HA ARG A 102 -13.062 -4.250 -8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -11.276 -4.299 -11.106 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.981 -4.700 -11.059 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.816 -1.972 -10.320 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -12.548 -2.357 -11.865 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.302 -3.121 -9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.887 -1.419 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 102 -14.530 -1.892 -12.264 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -16.162 -2.235 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -17.773 -1.966 -9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -16.613 -1.542 -13.137 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -18.029 -1.573 -12.080 1.00 0.00 H new ATOM 1650 N GLY A 103 -10.380 -6.091 -8.890 1.00 0.00 N ATOM 1651 CA GLY A 103 -9.847 -7.435 -8.746 1.00 0.00 C ATOM 1652 C GLY A 103 -9.839 -7.866 -7.278 1.00 0.00 C ATOM 1653 O GLY A 103 -9.645 -9.042 -6.973 1.00 0.00 O ATOM 0 H GLY A 103 -9.675 -5.355 -8.928 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -10.447 -8.133 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -8.834 -7.473 -9.146 1.00 0.00 H new ATOM 1657 N LEU A 104 -10.052 -6.891 -6.407 1.00 0.00 N ATOM 1658 CA LEU A 104 -10.072 -7.155 -4.978 1.00 0.00 C ATOM 1659 C LEU A 104 -11.511 -7.422 -4.533 1.00 0.00 C ATOM 1660 O LEU A 104 -11.768 -8.363 -3.784 1.00 0.00 O ATOM 1661 CB LEU A 104 -9.393 -6.015 -4.214 1.00 0.00 C ATOM 1662 CG LEU A 104 -9.279 -6.199 -2.699 1.00 0.00 C ATOM 1663 CD1 LEU A 104 -10.555 -5.733 -1.993 1.00 0.00 C ATOM 1664 CD2 LEU A 104 -8.926 -7.645 -2.347 1.00 0.00 C ATOM 0 H LEU A 104 -10.212 -5.917 -6.663 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.496 -8.051 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.391 -5.878 -4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.944 -5.095 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.463 -5.572 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.448 -5.874 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -10.723 -4.677 -2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.403 -6.315 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.851 -7.748 -1.264 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.703 -8.311 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.972 -7.908 -2.803 1.00 0.00 H new ATOM 1676 N LEU A 105 -12.412 -6.578 -5.012 1.00 0.00 N ATOM 1677 CA LEU A 105 -13.819 -6.711 -4.674 1.00 0.00 C ATOM 1678 C LEU A 105 -14.288 -8.126 -5.015 1.00 0.00 C ATOM 1679 O LEU A 105 -15.195 -8.656 -4.373 1.00 0.00 O ATOM 1680 CB LEU A 105 -14.639 -5.611 -5.349 1.00 0.00 C ATOM 1681 CG LEU A 105 -14.679 -4.264 -4.625 1.00 0.00 C ATOM 1682 CD1 LEU A 105 -15.544 -4.343 -3.366 1.00 0.00 C ATOM 1683 CD2 LEU A 105 -13.266 -3.764 -4.319 1.00 0.00 C ATOM 0 H LEU A 105 -12.195 -5.798 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.969 -6.574 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.240 -5.451 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -15.662 -5.968 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 105 -15.143 -3.534 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.555 -3.372 -2.871 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -16.561 -4.622 -3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -15.133 -5.091 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.323 -2.805 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -12.754 -4.487 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -12.713 -3.644 -5.251 1.00 0.00 H new ATOM 1695 N GLN A 106 -13.652 -8.700 -6.025 1.00 0.00 N ATOM 1696 CA GLN A 106 -13.993 -10.044 -6.460 1.00 0.00 C ATOM 1697 C GLN A 106 -13.981 -11.006 -5.269 1.00 0.00 C ATOM 1698 O GLN A 106 -14.969 -11.691 -5.011 1.00 0.00 O ATOM 1699 CB GLN A 106 -13.044 -10.522 -7.560 1.00 0.00 C ATOM 1700 CG GLN A 106 -13.744 -10.534 -8.920 1.00 0.00 C ATOM 1701 CD GLN A 106 -13.947 -11.966 -9.420 1.00 0.00 C ATOM 1702 OE1 GLN A 106 -13.216 -12.880 -9.078 1.00 0.00 O ATOM 1703 NE2 GLN A 106 -14.979 -12.108 -10.249 1.00 0.00 N ATOM 0 H GLN A 106 -12.901 -8.258 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 106 -15.000 -10.025 -6.878 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.172 -9.870 -7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -12.683 -11.523 -7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.709 -10.033 -8.841 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.152 -9.973 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.551 -11.300 -10.494 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.198 -13.025 -10.639 1.00 0.00 H new ATOM 1712 N THR A 107 -12.852 -11.026 -4.577 1.00 0.00 N ATOM 1713 CA THR A 107 -12.699 -11.892 -3.421 1.00 0.00 C ATOM 1714 C THR A 107 -13.263 -11.216 -2.169 1.00 0.00 C ATOM 1715 O THR A 107 -13.368 -11.842 -1.116 1.00 0.00 O ATOM 1716 CB THR A 107 -11.219 -12.260 -3.298 1.00 0.00 C ATOM 1717 OG1 THR A 107 -11.091 -12.750 -1.966 1.00 0.00 O ATOM 1718 CG2 THR A 107 -10.305 -11.032 -3.332 1.00 0.00 C ATOM 0 H THR A 107 -12.034 -10.456 -4.795 1.00 0.00 H new ATOM 0 HA THR A 107 -13.269 -12.813 -3.539 1.00 0.00 H new ATOM 0 HB THR A 107 -10.946 -12.939 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 107 -11.981 -12.869 -1.574 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.266 -11.349 -3.241 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.442 -10.503 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.556 -10.369 -2.504 1.00 0.00 H new ATOM 1726 N GLU A 108 -13.609 -9.947 -2.327 1.00 0.00 N ATOM 1727 CA GLU A 108 -14.160 -9.180 -1.223 1.00 0.00 C ATOM 1728 C GLU A 108 -15.268 -8.250 -1.723 1.00 0.00 C ATOM 1729 O GLU A 108 -15.123 -7.028 -1.683 1.00 0.00 O ATOM 1730 CB GLU A 108 -13.064 -8.390 -0.504 1.00 0.00 C ATOM 1731 CG GLU A 108 -11.862 -9.283 -0.190 1.00 0.00 C ATOM 1732 CD GLU A 108 -12.180 -10.249 0.953 1.00 0.00 C ATOM 1733 OE1 GLU A 108 -12.686 -9.759 1.986 1.00 0.00 O ATOM 1734 OE2 GLU A 108 -11.910 -11.455 0.768 1.00 0.00 O ATOM 0 H GLU A 108 -13.519 -9.431 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 108 -14.593 -9.875 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -12.747 -7.552 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -13.460 -7.969 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.581 -9.847 -1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -11.006 -8.665 0.079 1.00 0.00 H new ATOM 1741 N PRO A 109 -16.377 -8.879 -2.196 1.00 0.00 N ATOM 1742 CA PRO A 109 -17.508 -8.121 -2.703 1.00 0.00 C ATOM 1743 C PRO A 109 -18.308 -7.496 -1.558 1.00 0.00 C ATOM 1744 O PRO A 109 -18.997 -6.496 -1.750 1.00 0.00 O ATOM 1745 CB PRO A 109 -18.316 -9.118 -3.517 1.00 0.00 C ATOM 1746 CG PRO A 109 -17.865 -10.495 -3.056 1.00 0.00 C ATOM 1747 CD PRO A 109 -16.583 -10.322 -2.259 1.00 0.00 C ATOM 0 HA PRO A 109 -17.205 -7.275 -3.320 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -19.385 -8.982 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -18.139 -8.986 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -18.635 -10.964 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -17.697 -11.148 -3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -16.676 -10.753 -1.262 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -15.744 -10.821 -2.745 1.00 0.00 H new ATOM 1755 N GLN A 110 -18.189 -8.113 -0.392 1.00 0.00 N ATOM 1756 CA GLN A 110 -18.893 -7.630 0.785 1.00 0.00 C ATOM 1757 C GLN A 110 -18.132 -6.461 1.416 1.00 0.00 C ATOM 1758 O GLN A 110 -18.741 -5.529 1.938 1.00 0.00 O ATOM 1759 CB GLN A 110 -19.105 -8.756 1.798 1.00 0.00 C ATOM 1760 CG GLN A 110 -17.774 -9.217 2.394 1.00 0.00 C ATOM 1761 CD GLN A 110 -17.938 -10.538 3.148 1.00 0.00 C ATOM 1762 OE1 GLN A 110 -18.776 -10.685 4.022 1.00 0.00 O ATOM 1763 NE2 GLN A 110 -17.093 -11.490 2.760 1.00 0.00 N ATOM 0 H GLN A 110 -17.616 -8.943 -0.236 1.00 0.00 H new ATOM 0 HA GLN A 110 -19.876 -7.274 0.476 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -19.765 -8.413 2.595 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -19.601 -9.597 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -17.038 -9.337 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -17.391 -8.453 3.071 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.415 -11.300 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.123 -12.409 3.201 1.00 0.00 H new ATOM 1772 N ASN A 111 -16.812 -6.551 1.348 1.00 0.00 N ATOM 1773 CA ASN A 111 -15.962 -5.514 1.906 1.00 0.00 C ATOM 1774 C ASN A 111 -16.443 -4.147 1.414 1.00 0.00 C ATOM 1775 O ASN A 111 -16.483 -3.894 0.211 1.00 0.00 O ATOM 1776 CB ASN A 111 -14.509 -5.692 1.459 1.00 0.00 C ATOM 1777 CG ASN A 111 -13.616 -4.597 2.046 1.00 0.00 C ATOM 1778 OD1 ASN A 111 -14.080 -3.607 2.588 1.00 0.00 O ATOM 1779 ND2 ASN A 111 -12.314 -4.829 1.908 1.00 0.00 N ATOM 0 H ASN A 111 -16.310 -7.326 0.915 1.00 0.00 H new ATOM 0 HA ASN A 111 -16.016 -5.583 2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.145 -6.670 1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.454 -5.666 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -11.635 -4.157 2.267 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.994 -5.679 1.444 1.00 0.00 H new ATOM 1786 N ASN A 112 -16.797 -3.301 2.370 1.00 0.00 N ATOM 1787 CA ASN A 112 -17.274 -1.966 2.050 1.00 0.00 C ATOM 1788 C ASN A 112 -16.090 -1.093 1.631 1.00 0.00 C ATOM 1789 O ASN A 112 -16.117 -0.471 0.570 1.00 0.00 O ATOM 1790 CB ASN A 112 -17.938 -1.312 3.263 1.00 0.00 C ATOM 1791 CG ASN A 112 -18.938 -2.265 3.921 1.00 0.00 C ATOM 1792 OD1 ASN A 112 -19.934 -2.658 3.340 1.00 0.00 O ATOM 1793 ND2 ASN A 112 -18.616 -2.613 5.165 1.00 0.00 N ATOM 0 H ASN A 112 -16.763 -3.514 3.367 1.00 0.00 H new ATOM 0 HA ASN A 112 -18.003 -2.053 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -17.176 -1.022 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -18.448 -0.400 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -19.220 -3.246 5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -17.766 -2.247 5.593 1.00 0.00 H new ATOM 1800 N GLN A 113 -15.077 -1.075 2.486 1.00 0.00 N ATOM 1801 CA GLN A 113 -13.886 -0.288 2.217 1.00 0.00 C ATOM 1802 C GLN A 113 -13.489 -0.411 0.744 1.00 0.00 C ATOM 1803 O GLN A 113 -13.226 0.592 0.083 1.00 0.00 O ATOM 1804 CB GLN A 113 -12.734 -0.708 3.132 1.00 0.00 C ATOM 1805 CG GLN A 113 -13.080 -0.455 4.601 1.00 0.00 C ATOM 1806 CD GLN A 113 -11.923 -0.862 5.515 1.00 0.00 C ATOM 1807 OE1 GLN A 113 -10.808 -0.379 5.401 1.00 0.00 O ATOM 1808 NE2 GLN A 113 -12.247 -1.775 6.426 1.00 0.00 N ATOM 0 H GLN A 113 -15.057 -1.593 3.365 1.00 0.00 H new ATOM 0 HA GLN A 113 -14.111 0.758 2.426 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -12.514 -1.765 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -11.833 -0.154 2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -13.310 0.600 4.748 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -13.975 -1.016 4.869 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -13.199 -2.138 6.468 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.543 -2.112 7.083 1.00 0.00 H new ATOM 1817 N ALA A 114 -13.458 -1.649 0.275 1.00 0.00 N ATOM 1818 CA ALA A 114 -13.098 -1.917 -1.107 1.00 0.00 C ATOM 1819 C ALA A 114 -14.162 -1.322 -2.032 1.00 0.00 C ATOM 1820 O ALA A 114 -13.839 -0.766 -3.080 1.00 0.00 O ATOM 1821 CB ALA A 114 -12.926 -3.424 -1.309 1.00 0.00 C ATOM 0 H ALA A 114 -13.676 -2.478 0.827 1.00 0.00 H new ATOM 0 HA ALA A 114 -12.146 -1.446 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -12.656 -3.624 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.138 -3.792 -0.652 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -13.861 -3.932 -1.073 1.00 0.00 H new ATOM 1827 N LYS A 115 -15.410 -1.459 -1.609 1.00 0.00 N ATOM 1828 CA LYS A 115 -16.524 -0.942 -2.385 1.00 0.00 C ATOM 1829 C LYS A 115 -16.390 0.577 -2.513 1.00 0.00 C ATOM 1830 O LYS A 115 -16.353 1.109 -3.621 1.00 0.00 O ATOM 1831 CB LYS A 115 -17.854 -1.394 -1.779 1.00 0.00 C ATOM 1832 CG LYS A 115 -18.277 -2.755 -2.335 1.00 0.00 C ATOM 1833 CD LYS A 115 -19.792 -2.937 -2.246 1.00 0.00 C ATOM 1834 CE LYS A 115 -20.365 -3.430 -3.576 1.00 0.00 C ATOM 1835 NZ LYS A 115 -21.793 -3.058 -3.695 1.00 0.00 N ATOM 0 H LYS A 115 -15.674 -1.921 -0.739 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.506 -1.349 -3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -17.762 -1.453 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.625 -0.654 -1.993 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.957 -2.843 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.779 -3.549 -1.780 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.030 -3.650 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -20.260 -1.991 -1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -19.801 -3.000 -4.404 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -20.258 -4.512 -3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -22.166 -3.400 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.330 -3.489 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.887 -2.023 -3.650 1.00 0.00 H new ATOM 1849 N GLU A 116 -16.321 1.232 -1.363 1.00 0.00 N ATOM 1850 CA GLU A 116 -16.193 2.679 -1.332 1.00 0.00 C ATOM 1851 C GLU A 116 -15.097 3.135 -2.299 1.00 0.00 C ATOM 1852 O GLU A 116 -15.363 3.889 -3.232 1.00 0.00 O ATOM 1853 CB GLU A 116 -15.912 3.174 0.088 1.00 0.00 C ATOM 1854 CG GLU A 116 -17.171 3.775 0.717 1.00 0.00 C ATOM 1855 CD GLU A 116 -16.824 4.595 1.962 1.00 0.00 C ATOM 1856 OE1 GLU A 116 -16.521 5.794 1.784 1.00 0.00 O ATOM 1857 OE2 GLU A 116 -16.869 4.003 3.062 1.00 0.00 O ATOM 0 H GLU A 116 -16.351 0.787 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 116 -17.139 3.116 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -15.554 2.347 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -15.119 3.922 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -17.678 4.409 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.865 2.978 0.984 1.00 0.00 H new ATOM 1864 N LEU A 117 -13.889 2.657 -2.040 1.00 0.00 N ATOM 1865 CA LEU A 117 -12.752 3.006 -2.876 1.00 0.00 C ATOM 1866 C LEU A 117 -13.171 2.960 -4.346 1.00 0.00 C ATOM 1867 O LEU A 117 -13.128 3.974 -5.040 1.00 0.00 O ATOM 1868 CB LEU A 117 -11.554 2.112 -2.550 1.00 0.00 C ATOM 1869 CG LEU A 117 -10.214 2.542 -3.151 1.00 0.00 C ATOM 1870 CD1 LEU A 117 -10.016 4.054 -3.024 1.00 0.00 C ATOM 1871 CD2 LEU A 117 -9.057 1.759 -2.526 1.00 0.00 C ATOM 0 H LEU A 117 -13.672 2.031 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.426 4.025 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.445 2.065 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -11.776 1.101 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.226 2.307 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.056 4.333 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.817 4.571 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -10.033 4.336 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.116 2.083 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -9.033 1.941 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -9.197 0.694 -2.710 1.00 0.00 H new ATOM 1883 N GLU A 118 -13.569 1.772 -4.778 1.00 0.00 N ATOM 1884 CA GLU A 118 -13.997 1.581 -6.154 1.00 0.00 C ATOM 1885 C GLU A 118 -14.905 2.730 -6.592 1.00 0.00 C ATOM 1886 O GLU A 118 -14.828 3.189 -7.731 1.00 0.00 O ATOM 1887 CB GLU A 118 -14.697 0.231 -6.328 1.00 0.00 C ATOM 1888 CG GLU A 118 -15.331 0.117 -7.715 1.00 0.00 C ATOM 1889 CD GLU A 118 -16.807 0.517 -7.678 1.00 0.00 C ATOM 1890 OE1 GLU A 118 -17.540 -0.095 -6.872 1.00 0.00 O ATOM 1891 OE2 GLU A 118 -17.168 1.426 -8.457 1.00 0.00 O ATOM 0 H GLU A 118 -13.604 0.932 -4.200 1.00 0.00 H new ATOM 0 HA GLU A 118 -13.113 1.580 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -13.979 -0.576 -6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -15.464 0.114 -5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -14.795 0.756 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.237 -0.906 -8.079 1.00 0.00 H new ATOM 1898 N ARG A 119 -15.746 3.164 -5.665 1.00 0.00 N ATOM 1899 CA ARG A 119 -16.670 4.251 -5.941 1.00 0.00 C ATOM 1900 C ARG A 119 -15.937 5.594 -5.893 1.00 0.00 C ATOM 1901 O ARG A 119 -16.217 6.487 -6.691 1.00 0.00 O ATOM 1902 CB ARG A 119 -17.819 4.270 -4.931 1.00 0.00 C ATOM 1903 CG ARG A 119 -19.059 3.576 -5.499 1.00 0.00 C ATOM 1904 CD ARG A 119 -20.322 4.388 -5.207 1.00 0.00 C ATOM 1905 NE ARG A 119 -20.869 4.015 -3.883 1.00 0.00 N ATOM 1906 CZ ARG A 119 -21.600 2.916 -3.655 1.00 0.00 C ATOM 1907 NH1 ARG A 119 -21.879 2.075 -4.660 1.00 0.00 N ATOM 1908 NH2 ARG A 119 -22.055 2.659 -2.421 1.00 0.00 N ATOM 0 H ARG A 119 -15.807 2.782 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 119 -17.081 4.091 -6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -17.508 3.773 -4.012 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -18.062 5.300 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -18.947 3.446 -6.575 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -19.154 2.580 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -20.092 5.453 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -21.067 4.208 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 119 -20.677 4.634 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -21.535 2.271 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -22.436 1.238 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -21.845 3.300 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -22.612 1.822 -2.247 1.00 0.00 H new ATOM 1922 N LEU A 120 -15.013 5.695 -4.948 1.00 0.00 N ATOM 1923 CA LEU A 120 -14.238 6.914 -4.786 1.00 0.00 C ATOM 1924 C LEU A 120 -13.518 7.233 -6.098 1.00 0.00 C ATOM 1925 O LEU A 120 -13.666 8.328 -6.640 1.00 0.00 O ATOM 1926 CB LEU A 120 -13.302 6.797 -3.582 1.00 0.00 C ATOM 1927 CG LEU A 120 -13.978 6.640 -2.219 1.00 0.00 C ATOM 1928 CD1 LEU A 120 -12.977 6.169 -1.162 1.00 0.00 C ATOM 1929 CD2 LEU A 120 -14.682 7.934 -1.805 1.00 0.00 C ATOM 0 H LEU A 120 -14.784 4.953 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 120 -14.894 7.757 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -12.645 5.942 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -12.669 7.684 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 120 -14.744 5.869 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -13.483 6.065 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -12.561 5.206 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -12.173 6.899 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -15.155 7.796 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -13.952 8.741 -1.742 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -15.441 8.188 -2.545 1.00 0.00 H new ATOM 1941 N ILE A 121 -12.754 6.259 -6.570 1.00 0.00 N ATOM 1942 CA ILE A 121 -12.011 6.423 -7.807 1.00 0.00 C ATOM 1943 C ILE A 121 -12.982 6.765 -8.938 1.00 0.00 C ATOM 1944 O ILE A 121 -12.742 7.695 -9.707 1.00 0.00 O ATOM 1945 CB ILE A 121 -11.154 5.185 -8.085 1.00 0.00 C ATOM 1946 CG1 ILE A 121 -10.122 4.973 -6.976 1.00 0.00 C ATOM 1947 CG2 ILE A 121 -10.502 5.270 -9.466 1.00 0.00 C ATOM 1948 CD1 ILE A 121 -10.232 3.565 -6.387 1.00 0.00 C ATOM 0 H ILE A 121 -12.634 5.353 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.312 7.255 -7.724 1.00 0.00 H new ATOM 0 HB ILE A 121 -11.806 4.311 -8.089 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.119 5.128 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.271 5.713 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -9.899 4.379 -9.639 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -11.276 5.338 -10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -9.866 6.154 -9.514 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -9.487 3.440 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -11.228 3.422 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -10.059 2.828 -7.171 1.00 0.00 H new ATOM 1960 N ASP A 122 -14.058 5.995 -9.006 1.00 0.00 N ATOM 1961 CA ASP A 122 -15.066 6.207 -10.030 1.00 0.00 C ATOM 1962 C ASP A 122 -15.403 7.697 -10.109 1.00 0.00 C ATOM 1963 O ASP A 122 -15.656 8.223 -11.192 1.00 0.00 O ATOM 1964 CB ASP A 122 -16.353 5.448 -9.702 1.00 0.00 C ATOM 1965 CG ASP A 122 -17.243 5.130 -10.905 1.00 0.00 C ATOM 1966 OD1 ASP A 122 -17.831 6.091 -11.445 1.00 0.00 O ATOM 1967 OD2 ASP A 122 -17.313 3.933 -11.258 1.00 0.00 O ATOM 0 H ASP A 122 -14.254 5.223 -8.368 1.00 0.00 H new ATOM 0 HA ASP A 122 -14.665 5.845 -10.977 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -16.089 4.513 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -16.930 6.035 -8.987 1.00 0.00 H new ATOM 1972 N LYS A 123 -15.396 8.334 -8.949 1.00 0.00 N ATOM 1973 CA LYS A 123 -15.698 9.754 -8.872 1.00 0.00 C ATOM 1974 C LYS A 123 -14.445 10.557 -9.228 1.00 0.00 C ATOM 1975 O LYS A 123 -14.499 11.462 -10.060 1.00 0.00 O ATOM 1976 CB LYS A 123 -16.285 10.105 -7.503 1.00 0.00 C ATOM 1977 CG LYS A 123 -17.791 9.837 -7.468 1.00 0.00 C ATOM 1978 CD LYS A 123 -18.558 11.080 -7.014 1.00 0.00 C ATOM 1979 CE LYS A 123 -18.742 12.065 -8.171 1.00 0.00 C ATOM 1980 NZ LYS A 123 -19.536 13.235 -7.736 1.00 0.00 N ATOM 0 H LYS A 123 -15.186 7.894 -8.053 1.00 0.00 H new ATOM 0 HA LYS A 123 -16.466 10.020 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.789 9.518 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -16.093 11.154 -7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -18.133 9.535 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -18.001 9.008 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -19.532 10.787 -6.623 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -18.020 11.566 -6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -17.768 12.394 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -19.241 11.568 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -19.651 13.893 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -20.472 12.918 -7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -19.044 13.718 -6.957 1.00 0.00 H new ATOM 1994 N ALA A 124 -13.347 10.198 -8.580 1.00 0.00 N ATOM 1995 CA ALA A 124 -12.083 10.874 -8.817 1.00 0.00 C ATOM 1996 C ALA A 124 -11.910 11.110 -10.319 1.00 0.00 C ATOM 1997 O ALA A 124 -11.447 12.172 -10.735 1.00 0.00 O ATOM 1998 CB ALA A 124 -10.942 10.046 -8.223 1.00 0.00 C ATOM 0 H ALA A 124 -13.306 9.447 -7.891 1.00 0.00 H new ATOM 0 HA ALA A 124 -12.070 11.847 -8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -9.994 10.553 -8.401 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -11.096 9.931 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -10.922 9.063 -8.694 1.00 0.00 H new ATOM 2004 N MET A 125 -12.292 10.105 -11.092 1.00 0.00 N ATOM 2005 CA MET A 125 -12.186 10.190 -12.539 1.00 0.00 C ATOM 2006 C MET A 125 -13.012 11.359 -13.081 1.00 0.00 C ATOM 2007 O MET A 125 -12.466 12.284 -13.680 1.00 0.00 O ATOM 2008 CB MET A 125 -12.677 8.883 -13.165 1.00 0.00 C ATOM 2009 CG MET A 125 -11.839 7.696 -12.684 1.00 0.00 C ATOM 2010 SD MET A 125 -11.137 6.838 -14.083 1.00 0.00 S ATOM 2011 CE MET A 125 -10.972 5.201 -13.391 1.00 0.00 C ATOM 0 H MET A 125 -12.676 9.226 -10.744 1.00 0.00 H new ATOM 0 HA MET A 125 -11.141 10.357 -12.799 1.00 0.00 H new ATOM 0 HB2 MET A 125 -13.724 8.722 -12.906 1.00 0.00 H new ATOM 0 HB3 MET A 125 -12.624 8.954 -14.251 1.00 0.00 H new ATOM 0 HG2 MET A 125 -11.044 8.045 -12.025 1.00 0.00 H new ATOM 0 HG3 MET A 125 -12.459 7.014 -12.103 1.00 0.00 H new ATOM 0 HE1 MET A 125 -9.973 4.817 -13.599 1.00 0.00 H new ATOM 0 HE2 MET A 125 -11.127 5.244 -12.313 1.00 0.00 H new ATOM 0 HE3 MET A 125 -11.715 4.540 -13.838 1.00 0.00 H new ATOM 2021 N LYS A 126 -14.314 11.277 -12.853 1.00 0.00 N ATOM 2022 CA LYS A 126 -15.221 12.315 -13.312 1.00 0.00 C ATOM 2023 C LYS A 126 -15.118 13.524 -12.380 1.00 0.00 C ATOM 2024 O LYS A 126 -16.117 13.963 -11.813 1.00 0.00 O ATOM 2025 CB LYS A 126 -16.641 11.765 -13.449 1.00 0.00 C ATOM 2026 CG LYS A 126 -16.784 10.924 -14.720 1.00 0.00 C ATOM 2027 CD LYS A 126 -15.936 9.654 -14.634 1.00 0.00 C ATOM 2028 CE LYS A 126 -16.629 8.483 -15.336 1.00 0.00 C ATOM 2029 NZ LYS A 126 -15.825 7.248 -15.199 1.00 0.00 N ATOM 0 H LYS A 126 -14.763 10.508 -12.356 1.00 0.00 H new ATOM 0 HA LYS A 126 -14.938 12.654 -14.309 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -16.885 11.158 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -17.353 12.590 -13.472 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -17.830 10.658 -14.868 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -16.479 11.512 -15.586 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -14.962 9.831 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -15.757 9.402 -13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -17.619 8.329 -14.907 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -16.771 8.716 -16.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -16.309 6.463 -15.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -14.889 7.394 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -15.711 7.018 -14.191 1.00 0.00 H new ATOM 2043 N LYS A 127 -13.899 14.028 -12.249 1.00 0.00 N ATOM 2044 CA LYS A 127 -13.653 15.178 -11.396 1.00 0.00 C ATOM 2045 C LYS A 127 -12.551 16.041 -12.014 1.00 0.00 C ATOM 2046 O LYS A 127 -12.751 17.229 -12.260 1.00 0.00 O ATOM 2047 CB LYS A 127 -13.350 14.728 -9.965 1.00 0.00 C ATOM 2048 CG LYS A 127 -14.625 14.270 -9.253 1.00 0.00 C ATOM 2049 CD LYS A 127 -14.300 13.635 -7.900 1.00 0.00 C ATOM 2050 CE LYS A 127 -15.092 14.303 -6.776 1.00 0.00 C ATOM 2051 NZ LYS A 127 -15.159 13.418 -5.591 1.00 0.00 N ATOM 0 H LYS A 127 -13.072 13.661 -12.719 1.00 0.00 H new ATOM 0 HA LYS A 127 -14.546 15.800 -11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.626 13.913 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -12.894 15.548 -9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -15.291 15.121 -9.109 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -15.156 13.552 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.531 12.570 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -13.232 13.724 -7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -14.622 15.249 -6.505 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -16.100 14.535 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -15.436 13.975 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -15.861 12.669 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -14.227 12.988 -5.426 1.00 0.00 H new