USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 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 Set 1.1: A 17 SER OG : rot -133:sc= 1.31 USER MOD Set 1.2: A 98 MET CE :methyl -156:sc= -0.0386 (180deg=-0.14) USER MOD Set 2.1: A 59 THR OG1 : rot 180:sc= 0.688 USER MOD Set 2.2: A 109 LYS NZ :NH3+ -163:sc= 0.743 (180deg=0) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= -0.612 USER MOD Set 3.2: A 31 GLN : amide:sc= -2 K(o=-2.6,f=-1.1) USER MOD Set 4.1: A 9 TYR OH : rot 121:sc= 0.351 USER MOD Set 4.2: A 11 GLN : amide:sc= 0.331 K(o=0.68,f=0.0017) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 16 THR OG1 : rot 90:sc= -0.149 USER MOD Single : A 20 ASN : amide:sc= 0.159 K(o=0.16,f=-4.2!) USER MOD Single : A 26 ASN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00361 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.336 K(o=0.34,f=-5.9!) USER MOD Single : A 42 LYS NZ :NH3+ 174:sc= 1.16 (180deg=1.06) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 167:sc= -0.509 (180deg=-1.41) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -150:sc= 0.364 USER MOD Single : A 54 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 56 THR OG1 : rot 180:sc=0.000525 USER MOD Single : A 61 LYS NZ :NH3+ -158:sc= 1.13 (180deg=0.703) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.23 X(o=-2.2,f=-1.8) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0996 X(o=-0.1,f=-0.014) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -110:sc= -0.042 (180deg=-0.256) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 40:sc= 0.147 USER MOD Single : A 83 GLN : amide:sc=-0.00687 X(o=-0.0069,f=-0.031) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 105 SER OG : rot -35:sc= 1.25 USER MOD Single : A 107 GLN : amide:sc= 0.664 K(o=0.66,f=-0.12) USER MOD Single : A 112 SER OG : rot 92:sc= 1.22 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 37:sc= 0.527 USER MOD Single : A 121 GLN : amide:sc= 0.652 K(o=0.65,f=-4.8!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.504 10.124 0.638 1.00 0.00 N ATOM 2 CA GLY A 1 -24.425 9.627 -0.219 1.00 0.00 C ATOM 3 C GLY A 1 -23.896 10.737 -1.109 1.00 0.00 C ATOM 4 O GLY A 1 -24.403 10.955 -2.212 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.853 9.351 1.240 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.144 10.894 1.238 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.281 10.480 0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.617 9.231 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.791 8.804 -0.833 1.00 0.00 H new ATOM 8 N ALA A 2 -22.871 11.448 -0.649 1.00 0.00 N ATOM 9 CA ALA A 2 -22.165 12.481 -1.393 1.00 0.00 C ATOM 10 C ALA A 2 -20.674 12.190 -1.319 1.00 0.00 C ATOM 11 O ALA A 2 -20.063 11.885 -2.339 1.00 0.00 O ATOM 12 CB ALA A 2 -22.513 13.867 -0.838 1.00 0.00 C ATOM 0 H ALA A 2 -22.496 11.313 0.290 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.470 12.477 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -21.978 14.630 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.586 14.035 -0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -22.222 13.922 0.211 1.00 0.00 H new ATOM 18 N GLU A 3 -20.095 12.232 -0.123 1.00 0.00 N ATOM 19 CA GLU A 3 -18.659 12.038 0.075 1.00 0.00 C ATOM 20 C GLU A 3 -18.291 10.582 0.382 1.00 0.00 C ATOM 21 O GLU A 3 -17.115 10.268 0.560 1.00 0.00 O ATOM 22 CB GLU A 3 -18.106 13.034 1.110 1.00 0.00 C ATOM 23 CG GLU A 3 -18.705 12.900 2.517 1.00 0.00 C ATOM 24 CD GLU A 3 -20.121 13.473 2.592 1.00 0.00 C ATOM 25 OE1 GLU A 3 -20.269 14.709 2.697 1.00 0.00 O ATOM 26 OE2 GLU A 3 -21.098 12.690 2.508 1.00 0.00 O ATOM 0 H GLU A 3 -20.609 12.402 0.741 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.167 12.257 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.026 12.905 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -18.284 14.047 0.750 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.723 11.849 2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -18.066 13.416 3.234 1.00 0.00 H new ATOM 33 N ALA A 4 -19.275 9.681 0.344 1.00 0.00 N ATOM 34 CA ALA A 4 -19.102 8.230 0.417 1.00 0.00 C ATOM 35 C ALA A 4 -19.348 7.566 -0.940 1.00 0.00 C ATOM 36 O ALA A 4 -19.819 6.424 -1.037 1.00 0.00 O ATOM 37 CB ALA A 4 -19.966 7.628 1.523 1.00 0.00 C ATOM 0 H ALA A 4 -20.254 9.954 0.258 1.00 0.00 H new ATOM 0 HA ALA A 4 -18.063 8.029 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.817 6.549 1.554 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -19.683 8.061 2.482 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -21.016 7.844 1.323 1.00 0.00 H new ATOM 43 N LEU A 5 -18.956 8.295 -1.984 1.00 0.00 N ATOM 44 CA LEU A 5 -18.723 7.761 -3.315 1.00 0.00 C ATOM 45 C LEU A 5 -17.857 6.509 -3.203 1.00 0.00 C ATOM 46 O LEU A 5 -17.065 6.380 -2.263 1.00 0.00 O ATOM 47 CB LEU A 5 -18.004 8.820 -4.168 1.00 0.00 C ATOM 48 CG LEU A 5 -18.959 9.842 -4.750 1.00 0.00 C ATOM 49 CD1 LEU A 5 -18.270 11.177 -4.991 1.00 0.00 C ATOM 50 CD2 LEU A 5 -19.568 9.335 -6.054 1.00 0.00 C ATOM 0 H LEU A 5 -18.789 9.299 -1.920 1.00 0.00 H new ATOM 0 HA LEU A 5 -19.672 7.505 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.259 9.330 -3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -17.467 8.326 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.754 9.992 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -18.985 11.885 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.885 11.564 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.445 11.040 -5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -20.250 10.086 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -18.774 9.145 -6.777 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -20.115 8.411 -5.865 1.00 0.00 H new ATOM 62 N PRO A 6 -17.983 5.591 -4.161 1.00 0.00 N ATOM 63 CA PRO A 6 -17.202 4.379 -4.181 1.00 0.00 C ATOM 64 C PRO A 6 -15.745 4.731 -4.448 1.00 0.00 C ATOM 65 O PRO A 6 -15.412 5.824 -4.903 1.00 0.00 O ATOM 66 CB PRO A 6 -17.798 3.547 -5.311 1.00 0.00 C ATOM 67 CG PRO A 6 -18.294 4.602 -6.298 1.00 0.00 C ATOM 68 CD PRO A 6 -18.661 5.797 -5.421 1.00 0.00 C ATOM 0 HA PRO A 6 -17.227 3.830 -3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -17.054 2.891 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.611 2.912 -4.958 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.523 4.863 -7.023 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -19.155 4.244 -6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -18.347 6.732 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.740 5.859 -5.278 1.00 0.00 H new ATOM 76 N LEU A 7 -14.884 3.764 -4.181 1.00 0.00 N ATOM 77 CA LEU A 7 -13.459 3.829 -4.464 1.00 0.00 C ATOM 78 C LEU A 7 -13.236 4.159 -5.942 1.00 0.00 C ATOM 79 O LEU A 7 -13.617 3.360 -6.799 1.00 0.00 O ATOM 80 CB LEU A 7 -12.831 2.491 -4.086 1.00 0.00 C ATOM 81 CG LEU A 7 -11.400 2.623 -3.574 1.00 0.00 C ATOM 82 CD1 LEU A 7 -10.919 1.198 -3.341 1.00 0.00 C ATOM 83 CD2 LEU A 7 -10.420 3.334 -4.489 1.00 0.00 C ATOM 0 H LEU A 7 -15.165 2.884 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 7 -12.987 4.618 -3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.442 2.014 -3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.840 1.834 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.427 3.251 -2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.894 1.216 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.561 0.713 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.957 0.643 -4.279 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.438 3.365 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.351 2.797 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.766 4.351 -4.673 1.00 0.00 H new ATOM 95 N TYR A 8 -12.627 5.307 -6.236 1.00 0.00 N ATOM 96 CA TYR A 8 -12.339 5.776 -7.582 1.00 0.00 C ATOM 97 C TYR A 8 -10.838 5.892 -7.881 1.00 0.00 C ATOM 98 O TYR A 8 -10.495 6.184 -9.029 1.00 0.00 O ATOM 99 CB TYR A 8 -13.115 7.073 -7.871 1.00 0.00 C ATOM 100 CG TYR A 8 -12.924 8.220 -6.891 1.00 0.00 C ATOM 101 CD1 TYR A 8 -11.775 9.031 -6.947 1.00 0.00 C ATOM 102 CD2 TYR A 8 -13.934 8.518 -5.958 1.00 0.00 C ATOM 103 CE1 TYR A 8 -11.636 10.125 -6.073 1.00 0.00 C ATOM 104 CE2 TYR A 8 -13.807 9.610 -5.082 1.00 0.00 C ATOM 105 CZ TYR A 8 -12.651 10.420 -5.136 1.00 0.00 C ATOM 106 OH TYR A 8 -12.523 11.484 -4.298 1.00 0.00 O ATOM 0 H TYR A 8 -12.311 5.956 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.692 5.014 -8.277 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.832 7.424 -8.864 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.177 6.832 -7.909 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.997 8.813 -7.664 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.818 7.900 -5.914 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.750 10.741 -6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -14.590 9.829 -4.371 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.312 11.542 -3.720 1.00 0.00 H new ATOM 116 N TYR A 9 -9.938 5.660 -6.914 1.00 0.00 N ATOM 117 CA TYR A 9 -8.491 5.685 -7.157 1.00 0.00 C ATOM 118 C TYR A 9 -7.785 4.859 -6.105 1.00 0.00 C ATOM 119 O TYR A 9 -7.993 5.080 -4.907 1.00 0.00 O ATOM 120 CB TYR A 9 -7.966 7.119 -7.126 1.00 0.00 C ATOM 121 CG TYR A 9 -6.455 7.339 -7.190 1.00 0.00 C ATOM 122 CD1 TYR A 9 -5.638 7.120 -6.061 1.00 0.00 C ATOM 123 CD2 TYR A 9 -5.862 7.834 -8.369 1.00 0.00 C ATOM 124 CE1 TYR A 9 -4.262 7.393 -6.110 1.00 0.00 C ATOM 125 CE2 TYR A 9 -4.481 8.095 -8.434 1.00 0.00 C ATOM 126 CZ TYR A 9 -3.675 7.884 -7.295 1.00 0.00 C ATOM 127 OH TYR A 9 -2.344 8.181 -7.301 1.00 0.00 O ATOM 0 H TYR A 9 -10.192 5.451 -5.948 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.295 5.265 -8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -8.416 7.656 -7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.332 7.587 -6.212 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.075 6.739 -5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.478 8.016 -9.237 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.650 7.226 -5.236 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.040 8.455 -9.352 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.891 7.637 -7.979 1.00 0.00 H new ATOM 137 N LEU A 10 -6.914 3.956 -6.551 1.00 0.00 N ATOM 138 CA LEU A 10 -6.159 3.028 -5.752 1.00 0.00 C ATOM 139 C LEU A 10 -4.743 3.133 -6.300 1.00 0.00 C ATOM 140 O LEU A 10 -4.545 3.047 -7.514 1.00 0.00 O ATOM 141 CB LEU A 10 -6.761 1.660 -6.055 1.00 0.00 C ATOM 142 CG LEU A 10 -6.318 0.441 -5.246 1.00 0.00 C ATOM 143 CD1 LEU A 10 -4.861 0.453 -4.832 1.00 0.00 C ATOM 144 CD2 LEU A 10 -7.131 0.293 -3.963 1.00 0.00 C ATOM 0 H LEU A 10 -6.713 3.857 -7.546 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.169 3.205 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -7.842 1.748 -5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.564 1.443 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.481 -0.390 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.637 -0.449 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.231 0.488 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.666 1.329 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.788 -0.584 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.001 1.182 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.186 0.176 -4.212 1.00 0.00 H new ATOM 156 N GLN A 11 -3.761 3.325 -5.436 1.00 0.00 N ATOM 157 CA GLN A 11 -2.365 3.373 -5.846 1.00 0.00 C ATOM 158 C GLN A 11 -1.512 3.179 -4.596 1.00 0.00 C ATOM 159 O GLN A 11 -1.791 3.815 -3.572 1.00 0.00 O ATOM 160 CB GLN A 11 -2.086 4.731 -6.533 1.00 0.00 C ATOM 161 CG GLN A 11 -1.155 4.656 -7.757 1.00 0.00 C ATOM 162 CD GLN A 11 -1.824 5.090 -9.064 1.00 0.00 C ATOM 163 OE1 GLN A 11 -1.714 6.233 -9.496 1.00 0.00 O ATOM 164 NE2 GLN A 11 -2.509 4.201 -9.760 1.00 0.00 N ATOM 0 H GLN A 11 -3.906 3.452 -4.434 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.125 2.589 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -3.036 5.168 -6.843 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.647 5.409 -5.801 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.283 5.285 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.793 3.633 -7.866 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.608 3.247 -9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.939 4.468 -10.646 1.00 0.00 H new ATOM 173 N ILE A 12 -0.475 2.339 -4.672 1.00 0.00 N ATOM 174 CA ILE A 12 0.401 2.038 -3.531 1.00 0.00 C ATOM 175 C ILE A 12 0.977 3.300 -2.871 1.00 0.00 C ATOM 176 O ILE A 12 1.076 3.311 -1.656 1.00 0.00 O ATOM 177 CB ILE A 12 1.496 1.022 -3.932 1.00 0.00 C ATOM 178 CG1 ILE A 12 0.904 -0.309 -4.433 1.00 0.00 C ATOM 179 CG2 ILE A 12 2.483 0.684 -2.789 1.00 0.00 C ATOM 180 CD1 ILE A 12 -0.202 -0.941 -3.577 1.00 0.00 C ATOM 0 H ILE A 12 -0.217 1.847 -5.527 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.216 1.570 -2.763 1.00 0.00 H new ATOM 0 HB ILE A 12 2.037 1.528 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.507 -0.148 -5.435 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.717 -1.030 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.221 -0.034 -3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.989 1.593 -2.464 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.935 0.255 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.532 -1.872 -4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.184 -1.148 -2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.044 -0.253 -3.505 1.00 0.00 H new ATOM 192 N THR A 13 1.256 4.369 -3.621 1.00 0.00 N ATOM 193 CA THR A 13 1.571 5.733 -3.180 1.00 0.00 C ATOM 194 C THR A 13 2.850 5.891 -2.332 1.00 0.00 C ATOM 195 O THR A 13 3.727 6.667 -2.725 1.00 0.00 O ATOM 196 CB THR A 13 0.309 6.372 -2.572 1.00 0.00 C ATOM 197 OG1 THR A 13 -0.756 6.282 -3.505 1.00 0.00 O ATOM 198 CG2 THR A 13 0.483 7.857 -2.282 1.00 0.00 C ATOM 0 H THR A 13 1.269 4.298 -4.638 1.00 0.00 H new ATOM 0 HA THR A 13 1.854 6.300 -4.067 1.00 0.00 H new ATOM 0 HB THR A 13 0.112 5.837 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.225 5.430 -3.385 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.438 8.255 -1.855 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.301 7.996 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.710 8.384 -3.208 1.00 0.00 H new ATOM 206 N GLY A 14 3.011 5.202 -1.205 1.00 0.00 N ATOM 207 CA GLY A 14 4.265 5.123 -0.473 1.00 0.00 C ATOM 208 C GLY A 14 4.490 3.708 0.016 1.00 0.00 C ATOM 209 O GLY A 14 3.543 2.943 0.211 1.00 0.00 O ATOM 0 H GLY A 14 2.256 4.673 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.090 5.430 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.246 5.810 0.373 1.00 0.00 H new ATOM 213 N ILE A 15 5.749 3.371 0.262 1.00 0.00 N ATOM 214 CA ILE A 15 6.130 2.062 0.756 1.00 0.00 C ATOM 215 C ILE A 15 7.372 2.248 1.605 1.00 0.00 C ATOM 216 O ILE A 15 8.197 3.107 1.308 1.00 0.00 O ATOM 217 CB ILE A 15 6.343 1.101 -0.435 1.00 0.00 C ATOM 218 CG1 ILE A 15 6.333 -0.365 0.029 1.00 0.00 C ATOM 219 CG2 ILE A 15 7.609 1.430 -1.254 1.00 0.00 C ATOM 220 CD1 ILE A 15 6.286 -1.336 -1.157 1.00 0.00 C ATOM 0 H ILE A 15 6.536 4.004 0.122 1.00 0.00 H new ATOM 0 HA ILE A 15 5.353 1.611 1.373 1.00 0.00 H new ATOM 0 HB ILE A 15 5.500 1.248 -1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.223 -0.563 0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 15 5.471 -0.537 0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 15 7.705 0.721 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.531 2.441 -1.654 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.486 1.361 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.280 -2.361 -0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.383 -1.155 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.162 -1.183 -1.788 1.00 0.00 H new ATOM 232 N THR A 16 7.538 1.417 2.618 1.00 0.00 N ATOM 233 CA THR A 16 8.779 1.274 3.347 1.00 0.00 C ATOM 234 C THR A 16 8.770 -0.112 3.989 1.00 0.00 C ATOM 235 O THR A 16 7.847 -0.912 3.804 1.00 0.00 O ATOM 236 CB THR A 16 8.995 2.468 4.310 1.00 0.00 C ATOM 237 OG1 THR A 16 10.252 2.366 4.956 1.00 0.00 O ATOM 238 CG2 THR A 16 7.917 2.637 5.384 1.00 0.00 C ATOM 0 H THR A 16 6.794 0.810 2.962 1.00 0.00 H new ATOM 0 HA THR A 16 9.653 1.320 2.698 1.00 0.00 H new ATOM 0 HB THR A 16 8.943 3.347 3.667 1.00 0.00 H new ATOM 0 HG1 THR A 16 10.933 2.823 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.157 3.498 6.008 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.949 2.792 4.907 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.876 1.741 6.003 1.00 0.00 H new ATOM 246 N SER A 17 9.813 -0.400 4.748 1.00 0.00 N ATOM 247 CA SER A 17 9.860 -1.483 5.695 1.00 0.00 C ATOM 248 C SER A 17 10.508 -0.948 6.969 1.00 0.00 C ATOM 249 O SER A 17 11.102 0.140 6.980 1.00 0.00 O ATOM 250 CB SER A 17 10.647 -2.621 5.050 1.00 0.00 C ATOM 251 OG SER A 17 10.797 -3.736 5.896 1.00 0.00 O ATOM 0 H SER A 17 10.679 0.138 4.715 1.00 0.00 H new ATOM 0 HA SER A 17 8.877 -1.870 5.961 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.142 -2.932 4.135 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.633 -2.256 4.762 1.00 0.00 H new ATOM 0 HG SER A 17 11.732 -4.031 5.886 1.00 0.00 H new ATOM 257 N ASP A 18 10.398 -1.745 8.021 1.00 0.00 N ATOM 258 CA ASP A 18 11.026 -1.578 9.327 1.00 0.00 C ATOM 259 C ASP A 18 12.543 -1.472 9.191 1.00 0.00 C ATOM 260 O ASP A 18 13.159 -0.604 9.808 1.00 0.00 O ATOM 261 CB ASP A 18 10.615 -2.784 10.173 1.00 0.00 C ATOM 262 CG ASP A 18 11.303 -2.872 11.531 1.00 0.00 C ATOM 263 OD1 ASP A 18 10.732 -2.404 12.538 1.00 0.00 O ATOM 264 OD2 ASP A 18 12.274 -3.654 11.642 1.00 0.00 O ATOM 0 H ASP A 18 9.826 -2.588 7.983 1.00 0.00 H new ATOM 0 HA ASP A 18 10.700 -0.654 9.805 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.537 -2.751 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.829 -3.694 9.613 1.00 0.00 H new ATOM 269 N GLY A 19 13.147 -2.279 8.312 1.00 0.00 N ATOM 270 CA GLY A 19 14.578 -2.242 8.054 1.00 0.00 C ATOM 271 C GLY A 19 15.061 -1.049 7.216 1.00 0.00 C ATOM 272 O GLY A 19 16.272 -0.934 7.048 1.00 0.00 O ATOM 0 H GLY A 19 12.648 -2.977 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 19 15.103 -2.231 9.009 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.863 -3.162 7.544 1.00 0.00 H new ATOM 276 N ASN A 20 14.178 -0.184 6.689 1.00 0.00 N ATOM 277 CA ASN A 20 14.544 0.884 5.740 1.00 0.00 C ATOM 278 C ASN A 20 14.452 2.277 6.364 1.00 0.00 C ATOM 279 O ASN A 20 14.271 3.257 5.649 1.00 0.00 O ATOM 280 CB ASN A 20 13.752 0.770 4.406 1.00 0.00 C ATOM 281 CG ASN A 20 14.616 0.105 3.334 1.00 0.00 C ATOM 282 OD1 ASN A 20 15.412 -0.774 3.636 1.00 0.00 O ATOM 283 ND2 ASN A 20 14.520 0.456 2.064 1.00 0.00 N ATOM 0 H ASN A 20 13.183 -0.206 6.911 1.00 0.00 H new ATOM 0 HA ASN A 20 15.595 0.738 5.491 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.843 0.189 4.563 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.444 1.761 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.101 -0.003 1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.864 1.186 1.785 1.00 0.00 H new ATOM 290 N ASP A 21 14.576 2.401 7.686 1.00 0.00 N ATOM 291 CA ASP A 21 14.479 3.671 8.428 1.00 0.00 C ATOM 292 C ASP A 21 13.083 4.291 8.338 1.00 0.00 C ATOM 293 O ASP A 21 12.907 5.495 8.541 1.00 0.00 O ATOM 294 CB ASP A 21 15.565 4.672 7.989 1.00 0.00 C ATOM 295 CG ASP A 21 15.708 5.845 8.959 1.00 0.00 C ATOM 296 OD1 ASP A 21 15.666 5.624 10.194 1.00 0.00 O ATOM 297 OD2 ASP A 21 15.999 6.975 8.494 1.00 0.00 O ATOM 0 H ASP A 21 14.752 1.601 8.293 1.00 0.00 H new ATOM 0 HA ASP A 21 14.654 3.432 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.520 4.154 7.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 15.323 5.053 6.997 1.00 0.00 H new ATOM 302 N PHE A 22 12.077 3.472 8.008 1.00 0.00 N ATOM 303 CA PHE A 22 10.712 3.914 7.755 1.00 0.00 C ATOM 304 C PHE A 22 10.679 4.987 6.640 1.00 0.00 C ATOM 305 O PHE A 22 9.793 5.842 6.642 1.00 0.00 O ATOM 306 CB PHE A 22 10.024 4.303 9.083 1.00 0.00 C ATOM 307 CG PHE A 22 9.801 3.155 10.066 1.00 0.00 C ATOM 308 CD1 PHE A 22 10.885 2.504 10.695 1.00 0.00 C ATOM 309 CD2 PHE A 22 8.491 2.727 10.358 1.00 0.00 C ATOM 310 CE1 PHE A 22 10.665 1.394 11.532 1.00 0.00 C ATOM 311 CE2 PHE A 22 8.269 1.632 11.212 1.00 0.00 C ATOM 312 CZ PHE A 22 9.357 0.944 11.773 1.00 0.00 C ATOM 0 H PHE A 22 12.198 2.464 7.909 1.00 0.00 H new ATOM 0 HA PHE A 22 10.112 3.096 7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.626 5.068 9.574 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.059 4.755 8.854 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.891 2.861 10.532 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.649 3.245 9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 22 11.503 0.888 11.989 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.260 1.320 11.437 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.188 0.072 12.388 1.00 0.00 H new ATOM 322 N ALA A 23 11.647 4.946 5.707 1.00 0.00 N ATOM 323 CA ALA A 23 11.779 5.809 4.538 1.00 0.00 C ATOM 324 C ALA A 23 10.625 5.583 3.551 1.00 0.00 C ATOM 325 O ALA A 23 10.726 4.721 2.680 1.00 0.00 O ATOM 326 CB ALA A 23 13.143 5.576 3.870 1.00 0.00 C ATOM 0 H ALA A 23 12.402 4.262 5.761 1.00 0.00 H new ATOM 0 HA ALA A 23 11.726 6.849 4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 23 13.236 6.223 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.939 5.805 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.223 4.534 3.559 1.00 0.00 H new ATOM 332 N TRP A 24 9.527 6.333 3.692 1.00 0.00 N ATOM 333 CA TRP A 24 8.261 6.155 2.981 1.00 0.00 C ATOM 334 C TRP A 24 8.313 6.302 1.465 1.00 0.00 C ATOM 335 O TRP A 24 7.337 5.916 0.813 1.00 0.00 O ATOM 336 CB TRP A 24 7.243 7.160 3.543 1.00 0.00 C ATOM 337 CG TRP A 24 6.484 6.641 4.713 1.00 0.00 C ATOM 338 CD1 TRP A 24 6.518 7.105 5.978 1.00 0.00 C ATOM 339 CD2 TRP A 24 5.614 5.484 4.728 1.00 0.00 C ATOM 340 NE1 TRP A 24 5.694 6.333 6.772 1.00 0.00 N ATOM 341 CE2 TRP A 24 5.107 5.317 6.045 1.00 0.00 C ATOM 342 CE3 TRP A 24 5.232 4.545 3.753 1.00 0.00 C ATOM 343 CZ2 TRP A 24 4.237 4.271 6.372 1.00 0.00 C ATOM 344 CZ3 TRP A 24 4.400 3.465 4.083 1.00 0.00 C ATOM 345 CH2 TRP A 24 3.898 3.326 5.389 1.00 0.00 C ATOM 0 H TRP A 24 9.498 7.121 4.339 1.00 0.00 H new ATOM 0 HA TRP A 24 7.978 5.116 3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.766 8.071 3.834 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.540 7.433 2.756 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.099 7.949 6.318 1.00 0.00 H new ATOM 0 HE1 TRP A 24 5.539 6.493 7.767 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.584 4.657 2.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.830 4.191 7.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.143 2.736 3.329 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.254 2.495 5.636 1.00 0.00 H new ATOM 356 N ASP A 25 9.378 6.917 0.948 1.00 0.00 N ATOM 357 CA ASP A 25 9.786 6.959 -0.455 1.00 0.00 C ATOM 358 C ASP A 25 8.594 7.198 -1.391 1.00 0.00 C ATOM 359 O ASP A 25 8.057 6.258 -1.984 1.00 0.00 O ATOM 360 CB ASP A 25 10.623 5.735 -0.859 1.00 0.00 C ATOM 361 CG ASP A 25 12.134 5.918 -0.717 1.00 0.00 C ATOM 362 OD1 ASP A 25 12.641 6.953 -1.201 1.00 0.00 O ATOM 363 OD2 ASP A 25 12.859 4.996 -0.271 1.00 0.00 O ATOM 0 H ASP A 25 10.024 7.436 1.543 1.00 0.00 H new ATOM 0 HA ASP A 25 10.444 7.821 -0.567 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.315 4.885 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 25 10.397 5.484 -1.895 1.00 0.00 H new ATOM 368 N ASN A 26 8.154 8.455 -1.501 1.00 0.00 N ATOM 369 CA ASN A 26 7.008 8.864 -2.309 1.00 0.00 C ATOM 370 C ASN A 26 7.113 8.304 -3.724 1.00 0.00 C ATOM 371 O ASN A 26 7.985 8.713 -4.504 1.00 0.00 O ATOM 372 CB ASN A 26 6.875 10.394 -2.337 1.00 0.00 C ATOM 373 CG ASN A 26 5.822 10.867 -1.358 1.00 0.00 C ATOM 374 OD1 ASN A 26 6.128 11.482 -0.340 1.00 0.00 O ATOM 375 ND2 ASN A 26 4.562 10.544 -1.589 1.00 0.00 N ATOM 0 H ASN A 26 8.599 9.235 -1.017 1.00 0.00 H new ATOM 0 HA ASN A 26 6.109 8.455 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.834 10.850 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.614 10.721 -3.343 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.838 10.805 -0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.314 10.033 -2.436 1.00 0.00 H new ATOM 382 N LEU A 27 6.242 7.348 -4.047 1.00 0.00 N ATOM 383 CA LEU A 27 6.311 6.618 -5.296 1.00 0.00 C ATOM 384 C LEU A 27 5.886 7.549 -6.424 1.00 0.00 C ATOM 385 O LEU A 27 4.952 8.345 -6.270 1.00 0.00 O ATOM 386 CB LEU A 27 5.441 5.343 -5.242 1.00 0.00 C ATOM 387 CG LEU A 27 5.850 4.359 -4.124 1.00 0.00 C ATOM 388 CD1 LEU A 27 4.899 3.164 -4.051 1.00 0.00 C ATOM 389 CD2 LEU A 27 7.263 3.812 -4.313 1.00 0.00 C ATOM 0 H LEU A 27 5.470 7.064 -3.444 1.00 0.00 H new ATOM 0 HA LEU A 27 7.333 6.285 -5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.400 5.630 -5.098 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.501 4.832 -6.203 1.00 0.00 H new ATOM 0 HG LEU A 27 5.806 4.939 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.218 2.493 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.888 3.516 -3.847 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.912 2.630 -5.001 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.499 3.126 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.324 3.283 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.976 4.637 -4.310 1.00 0.00 H new ATOM 401 N THR A 28 6.563 7.442 -7.562 1.00 0.00 N ATOM 402 CA THR A 28 6.192 8.140 -8.774 1.00 0.00 C ATOM 403 C THR A 28 4.744 7.811 -9.158 1.00 0.00 C ATOM 404 O THR A 28 4.201 6.769 -8.782 1.00 0.00 O ATOM 405 CB THR A 28 7.192 7.795 -9.888 1.00 0.00 C ATOM 406 OG1 THR A 28 7.808 6.543 -9.765 1.00 0.00 O ATOM 407 CG2 THR A 28 8.333 8.818 -9.925 1.00 0.00 C ATOM 0 H THR A 28 7.394 6.859 -7.663 1.00 0.00 H new ATOM 0 HA THR A 28 6.235 9.217 -8.613 1.00 0.00 H new ATOM 0 HB THR A 28 6.582 7.797 -10.791 1.00 0.00 H new ATOM 0 HG1 THR A 28 8.425 6.407 -10.514 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.031 8.556 -10.721 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.925 9.811 -10.112 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.856 8.815 -8.968 1.00 0.00 H new ATOM 415 N SER A 29 4.101 8.705 -9.905 1.00 0.00 N ATOM 416 CA SER A 29 2.643 8.744 -10.044 1.00 0.00 C ATOM 417 C SER A 29 2.039 7.532 -10.763 1.00 0.00 C ATOM 418 O SER A 29 0.822 7.351 -10.730 1.00 0.00 O ATOM 419 CB SER A 29 2.261 10.030 -10.771 1.00 0.00 C ATOM 420 OG SER A 29 2.953 11.127 -10.201 1.00 0.00 O ATOM 0 H SER A 29 4.580 9.431 -10.437 1.00 0.00 H new ATOM 0 HA SER A 29 2.228 8.714 -9.037 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.504 9.946 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.185 10.192 -10.703 1.00 0.00 H new ATOM 0 HG SER A 29 2.706 11.950 -10.672 1.00 0.00 H new ATOM 426 N SER A 30 2.870 6.703 -11.391 1.00 0.00 N ATOM 427 CA SER A 30 2.496 5.470 -12.062 1.00 0.00 C ATOM 428 C SER A 30 3.619 4.428 -11.901 1.00 0.00 C ATOM 429 O SER A 30 3.780 3.556 -12.756 1.00 0.00 O ATOM 430 CB SER A 30 2.124 5.791 -13.522 1.00 0.00 C ATOM 431 OG SER A 30 2.879 6.863 -14.066 1.00 0.00 O ATOM 0 H SER A 30 3.872 6.887 -11.446 1.00 0.00 H new ATOM 0 HA SER A 30 1.613 5.019 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.275 4.901 -14.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.064 6.038 -13.575 1.00 0.00 H new ATOM 0 HG SER A 30 2.602 7.021 -14.993 1.00 0.00 H new ATOM 437 N GLN A 31 4.404 4.521 -10.814 1.00 0.00 N ATOM 438 CA GLN A 31 5.552 3.660 -10.518 1.00 0.00 C ATOM 439 C GLN A 31 5.167 2.185 -10.695 1.00 0.00 C ATOM 440 O GLN A 31 4.047 1.807 -10.342 1.00 0.00 O ATOM 441 CB GLN A 31 6.024 3.922 -9.070 1.00 0.00 C ATOM 442 CG GLN A 31 7.318 3.208 -8.657 1.00 0.00 C ATOM 443 CD GLN A 31 8.507 4.110 -8.344 1.00 0.00 C ATOM 444 OE1 GLN A 31 9.429 4.240 -9.148 1.00 0.00 O ATOM 445 NE2 GLN A 31 8.509 4.747 -7.182 1.00 0.00 N ATOM 0 H GLN A 31 4.247 5.225 -10.093 1.00 0.00 H new ATOM 0 HA GLN A 31 6.364 3.887 -11.208 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.165 4.995 -8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.230 3.620 -8.387 1.00 0.00 H new ATOM 0 HG2 GLN A 31 7.109 2.598 -7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.605 2.526 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.733 4.624 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.286 5.361 -6.938 1.00 0.00 H new ATOM 454 N THR A 32 6.111 1.364 -11.167 1.00 0.00 N ATOM 455 CA THR A 32 5.959 -0.087 -11.306 1.00 0.00 C ATOM 456 C THR A 32 7.007 -0.884 -10.516 1.00 0.00 C ATOM 457 O THR A 32 6.954 -2.113 -10.463 1.00 0.00 O ATOM 458 CB THR A 32 6.010 -0.467 -12.792 1.00 0.00 C ATOM 459 OG1 THR A 32 7.132 0.078 -13.475 1.00 0.00 O ATOM 460 CG2 THR A 32 4.773 0.017 -13.541 1.00 0.00 C ATOM 0 H THR A 32 7.025 1.700 -11.471 1.00 0.00 H new ATOM 0 HA THR A 32 4.990 -0.351 -10.882 1.00 0.00 H new ATOM 0 HB THR A 32 6.074 -1.555 -12.788 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.110 -0.200 -14.414 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.847 -0.271 -14.590 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.883 -0.434 -13.102 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.704 1.102 -13.467 1.00 0.00 H new ATOM 468 N LYS A 33 7.992 -0.209 -9.920 1.00 0.00 N ATOM 469 CA LYS A 33 9.108 -0.854 -9.237 1.00 0.00 C ATOM 470 C LYS A 33 9.510 -0.048 -8.016 1.00 0.00 C ATOM 471 O LYS A 33 9.126 1.111 -7.884 1.00 0.00 O ATOM 472 CB LYS A 33 10.278 -1.024 -10.224 1.00 0.00 C ATOM 473 CG LYS A 33 10.725 -2.485 -10.260 1.00 0.00 C ATOM 474 CD LYS A 33 11.623 -2.753 -11.472 1.00 0.00 C ATOM 475 CE LYS A 33 11.714 -4.252 -11.766 1.00 0.00 C ATOM 476 NZ LYS A 33 12.546 -4.498 -12.958 1.00 0.00 N ATOM 0 H LYS A 33 8.035 0.810 -9.899 1.00 0.00 H new ATOM 0 HA LYS A 33 8.811 -1.843 -8.888 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.973 -0.704 -11.220 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.111 -0.388 -9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.263 -2.727 -9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.851 -3.136 -10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.229 -2.231 -12.344 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.620 -2.354 -11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.138 -4.771 -10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.715 -4.658 -11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.596 -5.520 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.126 -4.019 -13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.504 -4.128 -12.795 1.00 0.00 H new ATOM 490 N ALA A 34 10.220 -0.679 -7.095 1.00 0.00 N ATOM 491 CA ALA A 34 10.511 -0.100 -5.804 1.00 0.00 C ATOM 492 C ALA A 34 11.433 1.105 -5.948 1.00 0.00 C ATOM 493 O ALA A 34 12.191 1.191 -6.917 1.00 0.00 O ATOM 494 CB ALA A 34 11.168 -1.152 -4.912 1.00 0.00 C ATOM 0 H ALA A 34 10.610 -1.612 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 34 9.578 0.235 -5.351 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.388 -0.716 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.491 -1.997 -4.787 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.094 -1.494 -5.374 1.00 0.00 H new ATOM 500 N PRO A 35 11.442 1.988 -4.943 1.00 0.00 N ATOM 501 CA PRO A 35 12.481 2.985 -4.801 1.00 0.00 C ATOM 502 C PRO A 35 13.826 2.303 -4.573 1.00 0.00 C ATOM 503 O PRO A 35 14.802 2.685 -5.213 1.00 0.00 O ATOM 504 CB PRO A 35 12.082 3.845 -3.605 1.00 0.00 C ATOM 505 CG PRO A 35 11.143 2.943 -2.796 1.00 0.00 C ATOM 506 CD PRO A 35 10.492 2.066 -3.851 1.00 0.00 C ATOM 0 HA PRO A 35 12.586 3.599 -5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.952 4.143 -3.020 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.582 4.761 -3.921 1.00 0.00 H new ATOM 0 HG2 PRO A 35 11.690 2.350 -2.063 1.00 0.00 H new ATOM 0 HG3 PRO A 35 10.403 3.525 -2.246 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.271 1.075 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.547 2.493 -4.185 1.00 0.00 H new ATOM 514 N ASN A 36 13.876 1.314 -3.668 1.00 0.00 N ATOM 515 CA ASN A 36 15.079 0.618 -3.258 1.00 0.00 C ATOM 516 C ASN A 36 14.695 -0.763 -2.756 1.00 0.00 C ATOM 517 O ASN A 36 13.528 -1.036 -2.465 1.00 0.00 O ATOM 518 CB ASN A 36 15.792 1.393 -2.134 1.00 0.00 C ATOM 519 CG ASN A 36 17.032 2.047 -2.702 1.00 0.00 C ATOM 520 OD1 ASN A 36 18.051 1.383 -2.863 1.00 0.00 O ATOM 521 ND2 ASN A 36 16.946 3.316 -3.046 1.00 0.00 N ATOM 0 H ASN A 36 13.042 0.973 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 36 15.757 0.537 -4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.126 2.147 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.060 0.718 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 36 17.748 3.786 -3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.077 3.828 -2.893 1.00 0.00 H new ATOM 528 N VAL A 37 15.700 -1.609 -2.583 1.00 0.00 N ATOM 529 CA VAL A 37 15.642 -2.809 -1.773 1.00 0.00 C ATOM 530 C VAL A 37 15.240 -2.512 -0.326 1.00 0.00 C ATOM 531 O VAL A 37 15.974 -1.899 0.452 1.00 0.00 O ATOM 532 CB VAL A 37 16.881 -3.671 -2.018 1.00 0.00 C ATOM 533 CG1 VAL A 37 18.183 -2.949 -2.101 1.00 0.00 C ATOM 534 CG2 VAL A 37 17.028 -4.834 -1.051 1.00 0.00 C ATOM 0 H VAL A 37 16.611 -1.470 -3.021 1.00 0.00 H new ATOM 0 HA VAL A 37 14.820 -3.451 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 37 16.666 -4.052 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.986 -3.665 -2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.150 -2.232 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.366 -2.421 -1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.931 -5.396 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.099 -4.453 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.160 -5.489 -1.134 1.00 0.00 H new ATOM 544 N LEU A 38 14.007 -2.904 -0.012 1.00 0.00 N ATOM 545 CA LEU A 38 13.376 -2.839 1.296 1.00 0.00 C ATOM 546 C LEU A 38 13.955 -3.931 2.200 1.00 0.00 C ATOM 547 O LEU A 38 13.659 -5.112 2.025 1.00 0.00 O ATOM 548 CB LEU A 38 11.850 -2.969 1.139 1.00 0.00 C ATOM 549 CG LEU A 38 11.230 -1.969 0.139 1.00 0.00 C ATOM 550 CD1 LEU A 38 9.714 -2.132 0.104 1.00 0.00 C ATOM 551 CD2 LEU A 38 11.557 -0.509 0.470 1.00 0.00 C ATOM 0 H LEU A 38 13.384 -3.302 -0.715 1.00 0.00 H new ATOM 0 HA LEU A 38 13.580 -1.877 1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.614 -3.983 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.382 -2.829 2.113 1.00 0.00 H new ATOM 0 HG LEU A 38 11.668 -2.198 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.288 -1.422 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.464 -3.147 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.305 -1.944 1.097 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.093 0.144 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.174 -0.266 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 38 12.637 -0.365 0.454 1.00 0.00 H new ATOM 563 N LYS A 39 14.797 -3.556 3.166 1.00 0.00 N ATOM 564 CA LYS A 39 15.332 -4.495 4.152 1.00 0.00 C ATOM 565 C LYS A 39 14.223 -4.948 5.103 1.00 0.00 C ATOM 566 O LYS A 39 13.255 -4.210 5.285 1.00 0.00 O ATOM 567 CB LYS A 39 16.474 -3.851 4.947 1.00 0.00 C ATOM 568 CG LYS A 39 17.625 -3.359 4.061 1.00 0.00 C ATOM 569 CD LYS A 39 18.694 -2.662 4.908 1.00 0.00 C ATOM 570 CE LYS A 39 19.555 -1.819 3.970 1.00 0.00 C ATOM 571 NZ LYS A 39 20.697 -1.166 4.637 1.00 0.00 N ATOM 0 H LYS A 39 15.125 -2.598 3.286 1.00 0.00 H new ATOM 0 HA LYS A 39 15.724 -5.364 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.081 -3.011 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.861 -4.574 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.067 -4.201 3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.243 -2.670 3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.230 -2.034 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 19.306 -3.397 5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.930 -2.454 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 39 18.931 -1.055 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.235 -0.612 3.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 20.347 -0.535 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.315 -1.890 5.056 1.00 0.00 H new ATOM 585 N GLY A 40 14.376 -6.072 5.808 1.00 0.00 N ATOM 586 CA GLY A 40 13.396 -6.495 6.811 1.00 0.00 C ATOM 587 C GLY A 40 12.374 -7.466 6.219 1.00 0.00 C ATOM 588 O GLY A 40 12.564 -7.995 5.122 1.00 0.00 O ATOM 0 H GLY A 40 15.169 -6.705 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.910 -6.970 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.881 -5.621 7.210 1.00 0.00 H new ATOM 592 N ASN A 41 11.275 -7.697 6.945 1.00 0.00 N ATOM 593 CA ASN A 41 10.090 -8.432 6.476 1.00 0.00 C ATOM 594 C ASN A 41 8.790 -7.673 6.765 1.00 0.00 C ATOM 595 O ASN A 41 7.773 -7.947 6.126 1.00 0.00 O ATOM 596 CB ASN A 41 10.021 -9.812 7.143 1.00 0.00 C ATOM 597 CG ASN A 41 8.822 -10.640 6.679 1.00 0.00 C ATOM 598 OD1 ASN A 41 8.536 -10.770 5.495 1.00 0.00 O ATOM 599 ND2 ASN A 41 8.061 -11.211 7.598 1.00 0.00 N ATOM 0 H ASN A 41 11.180 -7.368 7.906 1.00 0.00 H new ATOM 0 HA ASN A 41 10.190 -8.541 5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.939 -10.360 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.971 -9.685 8.224 1.00 0.00 H new ATOM 0 HD21 ASN A 41 7.244 -11.754 7.318 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.291 -11.108 8.586 1.00 0.00 H new ATOM 606 N LYS A 42 8.786 -6.727 7.716 1.00 0.00 N ATOM 607 CA LYS A 42 7.608 -5.919 8.012 1.00 0.00 C ATOM 608 C LYS A 42 7.447 -4.858 6.929 1.00 0.00 C ATOM 609 O LYS A 42 8.011 -3.770 7.021 1.00 0.00 O ATOM 610 CB LYS A 42 7.721 -5.234 9.378 1.00 0.00 C ATOM 611 CG LYS A 42 7.656 -6.126 10.621 1.00 0.00 C ATOM 612 CD LYS A 42 6.255 -6.703 10.851 1.00 0.00 C ATOM 613 CE LYS A 42 6.141 -7.142 12.310 1.00 0.00 C ATOM 614 NZ LYS A 42 4.808 -7.665 12.650 1.00 0.00 N ATOM 0 H LYS A 42 9.597 -6.506 8.294 1.00 0.00 H new ATOM 0 HA LYS A 42 6.740 -6.578 8.036 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.664 -4.688 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.923 -4.495 9.451 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.370 -6.943 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.957 -5.549 11.495 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.496 -5.956 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.081 -7.549 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.889 -7.909 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.369 -6.295 12.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.819 -8.040 13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.107 -6.899 12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.554 -8.426 11.988 1.00 0.00 H new ATOM 628 N LEU A 43 6.700 -5.195 5.892 1.00 0.00 N ATOM 629 CA LEU A 43 6.435 -4.339 4.749 1.00 0.00 C ATOM 630 C LEU A 43 5.291 -3.414 5.136 1.00 0.00 C ATOM 631 O LEU A 43 4.208 -3.864 5.532 1.00 0.00 O ATOM 632 CB LEU A 43 6.093 -5.214 3.533 1.00 0.00 C ATOM 633 CG LEU A 43 6.050 -4.527 2.156 1.00 0.00 C ATOM 634 CD1 LEU A 43 5.035 -3.392 2.031 1.00 0.00 C ATOM 635 CD2 LEU A 43 7.408 -4.008 1.701 1.00 0.00 C ATOM 0 H LEU A 43 6.245 -6.105 5.820 1.00 0.00 H new ATOM 0 HA LEU A 43 7.301 -3.737 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.823 -6.022 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.121 -5.673 3.711 1.00 0.00 H new ATOM 0 HG LEU A 43 5.726 -5.337 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.081 -2.972 1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.033 -3.778 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.266 -2.615 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.308 -3.535 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.778 -3.278 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.110 -4.839 1.632 1.00 0.00 H new ATOM 647 N TYR A 44 5.509 -2.115 4.987 1.00 0.00 N ATOM 648 CA TYR A 44 4.543 -1.080 5.294 1.00 0.00 C ATOM 649 C TYR A 44 4.181 -0.369 3.996 1.00 0.00 C ATOM 650 O TYR A 44 5.022 0.307 3.408 1.00 0.00 O ATOM 651 CB TYR A 44 5.127 -0.116 6.333 1.00 0.00 C ATOM 652 CG TYR A 44 5.626 -0.755 7.619 1.00 0.00 C ATOM 653 CD1 TYR A 44 4.814 -1.642 8.355 1.00 0.00 C ATOM 654 CD2 TYR A 44 6.915 -0.450 8.091 1.00 0.00 C ATOM 655 CE1 TYR A 44 5.294 -2.216 9.547 1.00 0.00 C ATOM 656 CE2 TYR A 44 7.379 -0.989 9.298 1.00 0.00 C ATOM 657 CZ TYR A 44 6.574 -1.874 10.037 1.00 0.00 C ATOM 658 OH TYR A 44 7.042 -2.379 11.211 1.00 0.00 O ATOM 0 H TYR A 44 6.393 -1.745 4.638 1.00 0.00 H new ATOM 0 HA TYR A 44 3.637 -1.506 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.954 0.426 5.874 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.365 0.620 6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.821 -1.882 8.003 1.00 0.00 H new ATOM 0 HD2 TYR A 44 7.553 0.206 7.518 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.681 -2.921 10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.360 -0.723 9.663 1.00 0.00 H new ATOM 0 HH TYR A 44 6.655 -3.266 11.363 1.00 0.00 H new ATOM 668 N VAL A 45 2.947 -0.531 3.519 1.00 0.00 N ATOM 669 CA VAL A 45 2.414 0.317 2.454 1.00 0.00 C ATOM 670 C VAL A 45 1.689 1.497 3.111 1.00 0.00 C ATOM 671 O VAL A 45 1.137 1.345 4.212 1.00 0.00 O ATOM 672 CB VAL A 45 1.493 -0.498 1.520 1.00 0.00 C ATOM 673 CG1 VAL A 45 0.857 0.380 0.446 1.00 0.00 C ATOM 674 CG2 VAL A 45 2.238 -1.655 0.852 1.00 0.00 C ATOM 0 H VAL A 45 2.297 -1.243 3.854 1.00 0.00 H new ATOM 0 HA VAL A 45 3.217 0.702 1.825 1.00 0.00 H new ATOM 0 HB VAL A 45 0.706 -0.908 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.216 -0.230 -0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.261 1.160 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.639 0.839 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.554 -2.202 0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.064 -1.262 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.628 -2.326 1.617 1.00 0.00 H new ATOM 684 N LYS A 46 1.654 2.637 2.414 1.00 0.00 N ATOM 685 CA LYS A 46 0.811 3.788 2.695 1.00 0.00 C ATOM 686 C LYS A 46 0.092 4.126 1.383 1.00 0.00 C ATOM 687 O LYS A 46 0.616 4.913 0.595 1.00 0.00 O ATOM 688 CB LYS A 46 1.650 4.940 3.294 1.00 0.00 C ATOM 689 CG LYS A 46 0.868 6.254 3.371 1.00 0.00 C ATOM 690 CD LYS A 46 1.314 7.259 4.437 1.00 0.00 C ATOM 691 CE LYS A 46 2.664 7.920 4.157 1.00 0.00 C ATOM 692 NZ LYS A 46 2.896 9.050 5.081 1.00 0.00 N ATOM 0 H LYS A 46 2.247 2.783 1.597 1.00 0.00 H new ATOM 0 HA LYS A 46 0.058 3.587 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.984 4.661 4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.544 5.088 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.926 6.742 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.181 6.016 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.555 8.036 4.527 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.365 6.750 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.463 7.186 4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.694 8.275 3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.818 9.484 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.144 9.758 4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.889 8.704 6.062 1.00 0.00 H new ATOM 706 N ALA A 47 -1.044 3.464 1.119 1.00 0.00 N ATOM 707 CA ALA A 47 -1.743 3.503 -0.161 1.00 0.00 C ATOM 708 C ALA A 47 -2.968 4.405 -0.094 1.00 0.00 C ATOM 709 O ALA A 47 -3.745 4.384 0.865 1.00 0.00 O ATOM 710 CB ALA A 47 -2.136 2.094 -0.624 1.00 0.00 C ATOM 0 H ALA A 47 -1.508 2.875 1.810 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.054 3.921 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.655 2.157 -1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.239 1.485 -0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.793 1.638 0.116 1.00 0.00 H new ATOM 716 N ARG A 48 -3.183 5.161 -1.172 1.00 0.00 N ATOM 717 CA ARG A 48 -4.229 6.166 -1.238 1.00 0.00 C ATOM 718 C ARG A 48 -5.494 5.523 -1.791 1.00 0.00 C ATOM 719 O ARG A 48 -5.471 4.993 -2.901 1.00 0.00 O ATOM 720 CB ARG A 48 -3.710 7.318 -2.101 1.00 0.00 C ATOM 721 CG ARG A 48 -4.664 8.517 -2.176 1.00 0.00 C ATOM 722 CD ARG A 48 -4.379 9.524 -1.053 1.00 0.00 C ATOM 723 NE ARG A 48 -3.152 10.300 -1.284 1.00 0.00 N ATOM 724 CZ ARG A 48 -3.009 11.313 -2.145 1.00 0.00 C ATOM 725 NH1 ARG A 48 -4.025 11.708 -2.909 1.00 0.00 N ATOM 726 NH2 ARG A 48 -1.840 11.923 -2.230 1.00 0.00 N ATOM 0 H ARG A 48 -2.629 5.088 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.484 6.568 -0.257 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.752 7.653 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.526 6.949 -3.110 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.560 9.008 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.695 8.170 -2.104 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -5.224 10.207 -0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.294 8.991 -0.106 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.332 10.041 -0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.927 11.236 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.902 12.482 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.063 11.619 -1.644 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.715 12.697 -2.882 1.00 0.00 H new ATOM 740 N PHE A 49 -6.583 5.526 -1.028 1.00 0.00 N ATOM 741 CA PHE A 49 -7.895 5.010 -1.398 1.00 0.00 C ATOM 742 C PHE A 49 -8.808 6.225 -1.474 1.00 0.00 C ATOM 743 O PHE A 49 -9.282 6.690 -0.431 1.00 0.00 O ATOM 744 CB PHE A 49 -8.425 4.006 -0.357 1.00 0.00 C ATOM 745 CG PHE A 49 -7.567 2.773 -0.134 1.00 0.00 C ATOM 746 CD1 PHE A 49 -6.402 2.870 0.648 1.00 0.00 C ATOM 747 CD2 PHE A 49 -7.896 1.539 -0.725 1.00 0.00 C ATOM 748 CE1 PHE A 49 -5.552 1.758 0.788 1.00 0.00 C ATOM 749 CE2 PHE A 49 -7.073 0.414 -0.544 1.00 0.00 C ATOM 750 CZ PHE A 49 -5.887 0.526 0.200 1.00 0.00 C ATOM 0 H PHE A 49 -6.572 5.910 -0.083 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.848 4.471 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.538 4.524 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -9.420 3.683 -0.665 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.160 3.800 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.791 1.455 -1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.635 1.851 1.351 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.352 -0.535 -0.977 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.237 -0.328 0.319 1.00 0.00 H new ATOM 760 N MET A 50 -8.989 6.777 -2.672 1.00 0.00 N ATOM 761 CA MET A 50 -9.868 7.920 -2.869 1.00 0.00 C ATOM 762 C MET A 50 -11.242 7.317 -3.116 1.00 0.00 C ATOM 763 O MET A 50 -11.444 6.676 -4.143 1.00 0.00 O ATOM 764 CB MET A 50 -9.424 8.828 -4.031 1.00 0.00 C ATOM 765 CG MET A 50 -7.908 9.079 -4.131 1.00 0.00 C ATOM 766 SD MET A 50 -7.252 10.615 -3.415 1.00 0.00 S ATOM 767 CE MET A 50 -8.015 10.505 -1.783 1.00 0.00 C ATOM 0 H MET A 50 -8.534 6.447 -3.523 1.00 0.00 H new ATOM 0 HA MET A 50 -9.856 8.578 -2.000 1.00 0.00 H new ATOM 0 HB2 MET A 50 -9.764 8.384 -4.967 1.00 0.00 H new ATOM 0 HB3 MET A 50 -9.929 9.789 -3.932 1.00 0.00 H new ATOM 0 HG2 MET A 50 -7.398 8.243 -3.653 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.634 9.058 -5.186 1.00 0.00 H new ATOM 0 HE1 MET A 50 -7.554 11.233 -1.116 1.00 0.00 H new ATOM 0 HE2 MET A 50 -9.082 10.713 -1.865 1.00 0.00 H new ATOM 0 HE3 MET A 50 -7.871 9.502 -1.381 1.00 0.00 H new ATOM 777 N GLY A 51 -12.133 7.435 -2.145 1.00 0.00 N ATOM 778 CA GLY A 51 -13.466 6.841 -2.171 1.00 0.00 C ATOM 779 C GLY A 51 -13.641 5.775 -1.090 1.00 0.00 C ATOM 780 O GLY A 51 -12.669 5.252 -0.534 1.00 0.00 O ATOM 0 H GLY A 51 -11.947 7.961 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.213 7.622 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.646 6.397 -3.150 1.00 0.00 H new ATOM 784 N TYR A 52 -14.891 5.451 -0.767 1.00 0.00 N ATOM 785 CA TYR A 52 -15.265 4.568 0.323 1.00 0.00 C ATOM 786 C TYR A 52 -14.965 3.113 -0.047 1.00 0.00 C ATOM 787 O TYR A 52 -15.406 2.621 -1.089 1.00 0.00 O ATOM 788 CB TYR A 52 -16.759 4.783 0.605 1.00 0.00 C ATOM 789 CG TYR A 52 -17.198 4.615 2.045 1.00 0.00 C ATOM 790 CD1 TYR A 52 -17.466 3.343 2.581 1.00 0.00 C ATOM 791 CD2 TYR A 52 -17.408 5.764 2.832 1.00 0.00 C ATOM 792 CE1 TYR A 52 -17.989 3.225 3.881 1.00 0.00 C ATOM 793 CE2 TYR A 52 -17.936 5.655 4.127 1.00 0.00 C ATOM 794 CZ TYR A 52 -18.253 4.386 4.649 1.00 0.00 C ATOM 795 OH TYR A 52 -18.764 4.296 5.907 1.00 0.00 O ATOM 0 H TYR A 52 -15.696 5.812 -1.279 1.00 0.00 H new ATOM 0 HA TYR A 52 -14.689 4.792 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -17.028 5.788 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -17.328 4.086 -0.010 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -17.270 2.457 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -17.160 6.737 2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -18.190 2.248 4.295 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -18.099 6.542 4.722 1.00 0.00 H new ATOM 0 HH TYR A 52 -18.877 5.195 6.279 1.00 0.00 H new ATOM 805 N THR A 53 -14.258 2.403 0.831 1.00 0.00 N ATOM 806 CA THR A 53 -14.156 0.951 0.832 1.00 0.00 C ATOM 807 C THR A 53 -13.902 0.513 2.268 1.00 0.00 C ATOM 808 O THR A 53 -13.183 1.186 3.012 1.00 0.00 O ATOM 809 CB THR A 53 -13.035 0.461 -0.119 1.00 0.00 C ATOM 810 OG1 THR A 53 -12.701 -0.898 0.123 1.00 0.00 O ATOM 811 CG2 THR A 53 -11.723 1.253 -0.010 1.00 0.00 C ATOM 0 H THR A 53 -13.725 2.840 1.583 1.00 0.00 H new ATOM 0 HA THR A 53 -15.080 0.507 0.462 1.00 0.00 H new ATOM 0 HB THR A 53 -13.460 0.606 -1.112 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.758 -1.047 -0.098 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.993 0.845 -0.709 1.00 0.00 H new ATOM 0 HG22 THR A 53 -11.909 2.300 -0.249 1.00 0.00 H new ATOM 0 HG23 THR A 53 -11.335 1.177 1.006 1.00 0.00 H new ATOM 819 N LYS A 54 -14.383 -0.681 2.605 1.00 0.00 N ATOM 820 CA LYS A 54 -13.894 -1.520 3.690 1.00 0.00 C ATOM 821 C LYS A 54 -13.733 -2.970 3.208 1.00 0.00 C ATOM 822 O LYS A 54 -13.787 -3.898 4.015 1.00 0.00 O ATOM 823 CB LYS A 54 -14.810 -1.354 4.919 1.00 0.00 C ATOM 824 CG LYS A 54 -14.570 0.007 5.598 1.00 0.00 C ATOM 825 CD LYS A 54 -15.045 0.012 7.054 1.00 0.00 C ATOM 826 CE LYS A 54 -14.683 1.308 7.782 1.00 0.00 C ATOM 827 NZ LYS A 54 -13.237 1.425 8.062 1.00 0.00 N ATOM 0 H LYS A 54 -15.162 -1.108 2.103 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.899 -1.207 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.853 -1.435 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.622 -2.159 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.508 0.248 5.562 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -15.092 0.786 5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.126 -0.127 7.081 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.602 -0.833 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.001 2.159 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -15.235 1.358 8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.059 2.288 8.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.920 0.595 8.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.713 1.474 7.165 1.00 0.00 H new ATOM 841 N LEU A 55 -13.547 -3.188 1.900 1.00 0.00 N ATOM 842 CA LEU A 55 -13.345 -4.501 1.295 1.00 0.00 C ATOM 843 C LEU A 55 -11.994 -4.472 0.580 1.00 0.00 C ATOM 844 O LEU A 55 -11.928 -4.345 -0.644 1.00 0.00 O ATOM 845 CB LEU A 55 -14.488 -4.880 0.332 1.00 0.00 C ATOM 846 CG LEU A 55 -15.894 -4.972 0.962 1.00 0.00 C ATOM 847 CD1 LEU A 55 -16.640 -3.632 0.859 1.00 0.00 C ATOM 848 CD2 LEU A 55 -16.724 -6.046 0.253 1.00 0.00 C ATOM 0 H LEU A 55 -13.533 -2.430 1.217 1.00 0.00 H new ATOM 0 HA LEU A 55 -13.350 -5.269 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.518 -4.145 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.251 -5.842 -0.123 1.00 0.00 H new ATOM 0 HG LEU A 55 -15.764 -5.230 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -17.627 -3.729 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -16.075 -2.860 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -16.747 -3.355 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -17.713 -6.100 0.707 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -16.823 -5.792 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.227 -7.012 0.349 1.00 0.00 H new ATOM 860 N THR A 56 -10.906 -4.534 1.345 1.00 0.00 N ATOM 861 CA THR A 56 -9.563 -4.688 0.796 1.00 0.00 C ATOM 862 C THR A 56 -9.304 -6.181 0.593 1.00 0.00 C ATOM 863 O THR A 56 -9.731 -6.984 1.424 1.00 0.00 O ATOM 864 CB THR A 56 -8.503 -4.119 1.762 1.00 0.00 C ATOM 865 OG1 THR A 56 -9.037 -3.175 2.679 1.00 0.00 O ATOM 866 CG2 THR A 56 -7.368 -3.471 0.969 1.00 0.00 C ATOM 0 H THR A 56 -10.932 -4.479 2.363 1.00 0.00 H new ATOM 0 HA THR A 56 -9.494 -4.144 -0.146 1.00 0.00 H new ATOM 0 HB THR A 56 -8.128 -4.960 2.345 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.323 -2.850 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.624 -3.072 1.658 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.902 -4.217 0.325 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.767 -2.662 0.358 1.00 0.00 H new ATOM 874 N VAL A 57 -8.541 -6.553 -0.433 1.00 0.00 N ATOM 875 CA VAL A 57 -8.116 -7.925 -0.660 1.00 0.00 C ATOM 876 C VAL A 57 -6.653 -7.874 -1.104 1.00 0.00 C ATOM 877 O VAL A 57 -6.220 -6.958 -1.809 1.00 0.00 O ATOM 878 CB VAL A 57 -9.049 -8.603 -1.690 1.00 0.00 C ATOM 879 CG1 VAL A 57 -8.720 -10.092 -1.858 1.00 0.00 C ATOM 880 CG2 VAL A 57 -10.531 -8.486 -1.292 1.00 0.00 C ATOM 0 H VAL A 57 -8.198 -5.899 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.184 -8.532 0.243 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.882 -8.077 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.397 -10.534 -2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.692 -10.201 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.838 -10.601 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -11.149 -8.976 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.687 -8.965 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.808 -7.434 -1.224 1.00 0.00 H new ATOM 890 N ILE A 58 -5.874 -8.857 -0.663 1.00 0.00 N ATOM 891 CA ILE A 58 -4.485 -9.087 -1.032 1.00 0.00 C ATOM 892 C ILE A 58 -4.407 -10.609 -1.091 1.00 0.00 C ATOM 893 O ILE A 58 -4.749 -11.257 -0.104 1.00 0.00 O ATOM 894 CB ILE A 58 -3.498 -8.495 0.006 1.00 0.00 C ATOM 895 CG1 ILE A 58 -3.800 -7.022 0.378 1.00 0.00 C ATOM 896 CG2 ILE A 58 -2.073 -8.615 -0.564 1.00 0.00 C ATOM 897 CD1 ILE A 58 -3.021 -6.532 1.602 1.00 0.00 C ATOM 0 H ILE A 58 -6.217 -9.553 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.203 -8.603 -1.967 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.606 -9.062 0.930 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.563 -6.384 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.868 -6.915 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.360 -8.204 0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.841 -9.664 -0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.008 -8.062 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.280 -5.493 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.276 -7.146 2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.951 -6.607 1.407 1.00 0.00 H new ATOM 909 N THR A 59 -4.103 -11.173 -2.254 1.00 0.00 N ATOM 910 CA THR A 59 -4.275 -12.582 -2.543 1.00 0.00 C ATOM 911 C THR A 59 -3.118 -13.439 -2.002 1.00 0.00 C ATOM 912 O THR A 59 -3.284 -14.641 -1.788 1.00 0.00 O ATOM 913 CB THR A 59 -4.391 -12.772 -4.064 1.00 0.00 C ATOM 914 OG1 THR A 59 -4.679 -11.585 -4.797 1.00 0.00 O ATOM 915 CG2 THR A 59 -5.456 -13.801 -4.443 1.00 0.00 C ATOM 0 H THR A 59 -3.721 -10.645 -3.039 1.00 0.00 H new ATOM 0 HA THR A 59 -5.184 -12.916 -2.042 1.00 0.00 H new ATOM 0 HB THR A 59 -3.394 -13.116 -4.339 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.734 -11.796 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 59 -5.498 -13.898 -5.528 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.204 -14.765 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 59 -6.427 -13.474 -4.070 1.00 0.00 H new ATOM 923 N GLY A 60 -1.936 -12.840 -1.805 1.00 0.00 N ATOM 924 CA GLY A 60 -0.755 -13.562 -1.350 1.00 0.00 C ATOM 925 C GLY A 60 -0.344 -14.683 -2.297 1.00 0.00 C ATOM 926 O GLY A 60 -0.860 -14.815 -3.412 1.00 0.00 O ATOM 0 H GLY A 60 -1.779 -11.844 -1.958 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.074 -12.862 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.949 -13.980 -0.362 1.00 0.00 H new ATOM 930 N LYS A 61 0.631 -15.480 -1.860 1.00 0.00 N ATOM 931 CA LYS A 61 1.086 -16.612 -2.651 1.00 0.00 C ATOM 932 C LYS A 61 0.032 -17.703 -2.748 1.00 0.00 C ATOM 933 O LYS A 61 -0.217 -18.209 -3.840 1.00 0.00 O ATOM 934 CB LYS A 61 2.439 -17.116 -2.147 1.00 0.00 C ATOM 935 CG LYS A 61 2.449 -17.776 -0.764 1.00 0.00 C ATOM 936 CD LYS A 61 3.872 -18.174 -0.371 1.00 0.00 C ATOM 937 CE LYS A 61 4.825 -16.989 -0.147 1.00 0.00 C ATOM 938 NZ LYS A 61 6.146 -17.458 0.308 1.00 0.00 N ATOM 0 H LYS A 61 1.114 -15.361 -0.970 1.00 0.00 H new ATOM 0 HA LYS A 61 1.240 -16.272 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.827 -17.833 -2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.132 -16.275 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.040 -17.089 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.807 -18.657 -0.770 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.831 -18.769 0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.285 -18.814 -1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.934 -16.424 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.401 -16.310 0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.639 -16.685 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.024 -18.260 0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.709 -17.761 -0.513 1.00 0.00 H new ATOM 952 N ASP A 62 -0.593 -18.042 -1.624 1.00 0.00 N ATOM 953 CA ASP A 62 -1.504 -19.182 -1.529 1.00 0.00 C ATOM 954 C ASP A 62 -2.822 -18.925 -2.256 1.00 0.00 C ATOM 955 O ASP A 62 -3.543 -19.865 -2.601 1.00 0.00 O ATOM 956 CB ASP A 62 -1.754 -19.548 -0.059 1.00 0.00 C ATOM 957 CG ASP A 62 -0.810 -20.652 0.408 1.00 0.00 C ATOM 958 OD1 ASP A 62 -0.865 -21.778 -0.135 1.00 0.00 O ATOM 959 OD2 ASP A 62 0.002 -20.381 1.322 1.00 0.00 O ATOM 0 H ASP A 62 -0.482 -17.532 -0.748 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.024 -20.026 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -1.620 -18.665 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -2.787 -19.873 0.066 1.00 0.00 H new ATOM 964 N GLY A 63 -3.135 -17.663 -2.549 1.00 0.00 N ATOM 965 CA GLY A 63 -4.327 -17.298 -3.289 1.00 0.00 C ATOM 966 C GLY A 63 -5.539 -17.124 -2.378 1.00 0.00 C ATOM 967 O GLY A 63 -6.633 -17.561 -2.750 1.00 0.00 O ATOM 0 H GLY A 63 -2.561 -16.866 -2.275 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.146 -16.370 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.541 -18.066 -4.033 1.00 0.00 H new ATOM 971 N LYS A 64 -5.380 -16.528 -1.190 1.00 0.00 N ATOM 972 CA LYS A 64 -6.452 -16.241 -0.240 1.00 0.00 C ATOM 973 C LYS A 64 -6.239 -14.856 0.365 1.00 0.00 C ATOM 974 O LYS A 64 -5.131 -14.329 0.336 1.00 0.00 O ATOM 975 CB LYS A 64 -6.488 -17.310 0.864 1.00 0.00 C ATOM 976 CG LYS A 64 -6.752 -18.716 0.308 1.00 0.00 C ATOM 977 CD LYS A 64 -7.385 -19.639 1.349 1.00 0.00 C ATOM 978 CE LYS A 64 -7.628 -21.029 0.744 1.00 0.00 C ATOM 979 NZ LYS A 64 -8.771 -21.737 1.362 1.00 0.00 N ATOM 0 H LYS A 64 -4.466 -16.223 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.408 -16.258 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.539 -17.307 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.264 -17.056 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.409 -18.645 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.814 -19.150 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.732 -19.721 2.218 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.327 -19.215 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.807 -20.927 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.728 -21.632 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.886 -22.668 0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.593 -21.862 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -9.638 -21.179 1.229 1.00 0.00 H new ATOM 993 N ASN A 65 -7.295 -14.262 0.919 1.00 0.00 N ATOM 994 CA ASN A 65 -7.273 -12.901 1.447 1.00 0.00 C ATOM 995 C ASN A 65 -6.358 -12.838 2.663 1.00 0.00 C ATOM 996 O ASN A 65 -6.784 -13.180 3.763 1.00 0.00 O ATOM 997 CB ASN A 65 -8.703 -12.469 1.828 1.00 0.00 C ATOM 998 CG ASN A 65 -8.911 -10.976 1.990 1.00 0.00 C ATOM 999 OD1 ASN A 65 -9.776 -10.390 1.369 1.00 0.00 O ATOM 1000 ND2 ASN A 65 -8.174 -10.297 2.839 1.00 0.00 N ATOM 0 H ASN A 65 -8.202 -14.720 1.014 1.00 0.00 H new ATOM 0 HA ASN A 65 -6.892 -12.221 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.390 -12.833 1.064 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -8.976 -12.960 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.333 -9.298 2.967 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -7.443 -10.769 3.371 1.00 0.00 H new ATOM 1007 N LEU A 66 -5.131 -12.350 2.503 1.00 0.00 N ATOM 1008 CA LEU A 66 -4.132 -12.298 3.567 1.00 0.00 C ATOM 1009 C LEU A 66 -4.607 -11.498 4.777 1.00 0.00 C ATOM 1010 O LEU A 66 -4.354 -11.884 5.915 1.00 0.00 O ATOM 1011 CB LEU A 66 -2.821 -11.711 3.039 1.00 0.00 C ATOM 1012 CG LEU A 66 -2.067 -12.640 2.074 1.00 0.00 C ATOM 1013 CD1 LEU A 66 -0.735 -11.976 1.690 1.00 0.00 C ATOM 1014 CD2 LEU A 66 -1.788 -14.010 2.714 1.00 0.00 C ATOM 0 H LEU A 66 -4.797 -11.973 1.616 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.969 -13.324 3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.034 -10.771 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.173 -11.477 3.884 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.686 -12.802 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.189 -12.625 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.932 -11.020 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.138 -11.812 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.254 -14.641 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.181 -13.876 3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.732 -14.485 2.983 1.00 0.00 H new ATOM 1026 N LEU A 67 -5.372 -10.426 4.545 1.00 0.00 N ATOM 1027 CA LEU A 67 -5.959 -9.626 5.613 1.00 0.00 C ATOM 1028 C LEU A 67 -7.053 -10.369 6.401 1.00 0.00 C ATOM 1029 O LEU A 67 -7.534 -9.825 7.396 1.00 0.00 O ATOM 1030 CB LEU A 67 -6.506 -8.307 5.029 1.00 0.00 C ATOM 1031 CG LEU A 67 -5.432 -7.295 4.610 1.00 0.00 C ATOM 1032 CD1 LEU A 67 -6.005 -6.292 3.604 1.00 0.00 C ATOM 1033 CD2 LEU A 67 -4.915 -6.528 5.822 1.00 0.00 C ATOM 0 H LEU A 67 -5.599 -10.092 3.608 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.166 -9.415 6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.125 -8.539 4.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.156 -7.840 5.769 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.613 -7.850 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.230 -5.581 3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.355 -6.824 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.838 -5.756 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.154 -5.815 5.504 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.740 -5.993 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.481 -7.227 6.537 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.460 -11.573 5.979 1.00 0.00 N ATOM 1046 CA TYR A 68 -8.322 -12.486 6.724 1.00 0.00 C ATOM 1047 C TYR A 68 -7.603 -13.834 6.935 1.00 0.00 C ATOM 1048 O TYR A 68 -8.249 -14.833 7.243 1.00 0.00 O ATOM 1049 CB TYR A 68 -9.652 -12.623 5.957 1.00 0.00 C ATOM 1050 CG TYR A 68 -10.847 -13.070 6.782 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -11.542 -12.134 7.573 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -11.296 -14.403 6.737 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -12.677 -12.523 8.307 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -12.433 -14.799 7.466 1.00 0.00 C ATOM 1055 CZ TYR A 68 -13.132 -13.858 8.250 1.00 0.00 C ATOM 1056 OH TYR A 68 -14.260 -14.210 8.925 1.00 0.00 O ATOM 0 H TYR A 68 -7.184 -11.948 5.072 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.543 -12.100 7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.888 -11.661 5.502 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.509 -13.334 5.144 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.201 -11.110 7.616 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.764 -15.128 6.138 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -13.201 -11.800 8.915 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -12.770 -15.824 7.425 1.00 0.00 H new ATOM 0 HH TYR A 68 -14.441 -15.163 8.785 1.00 0.00 H new ATOM 1066 N ASN A 69 -6.283 -13.905 6.702 1.00 0.00 N ATOM 1067 CA ASN A 69 -5.473 -15.118 6.820 1.00 0.00 C ATOM 1068 C ASN A 69 -4.819 -15.174 8.194 1.00 0.00 C ATOM 1069 O ASN A 69 -5.051 -16.141 8.924 1.00 0.00 O ATOM 1070 CB ASN A 69 -4.415 -15.183 5.708 1.00 0.00 C ATOM 1071 CG ASN A 69 -3.448 -16.357 5.798 1.00 0.00 C ATOM 1072 OD1 ASN A 69 -2.297 -16.222 5.390 1.00 0.00 O ATOM 1073 ND2 ASN A 69 -3.861 -17.516 6.276 1.00 0.00 N ATOM 0 H ASN A 69 -5.737 -13.092 6.418 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.125 -15.984 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.925 -15.227 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.839 -14.257 5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.222 -18.311 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.819 -17.617 6.612 1.00 0.00 H new ATOM 1080 N GLY A 70 -4.020 -14.158 8.538 1.00 0.00 N ATOM 1081 CA GLY A 70 -3.367 -14.109 9.836 1.00 0.00 C ATOM 1082 C GLY A 70 -2.382 -12.955 10.000 1.00 0.00 C ATOM 1083 O GLY A 70 -2.376 -12.332 11.061 1.00 0.00 O ATOM 0 H GLY A 70 -3.815 -13.364 7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.130 -14.033 10.611 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.839 -15.048 10.000 1.00 0.00 H new ATOM 1087 N THR A 71 -1.532 -12.672 9.007 1.00 0.00 N ATOM 1088 CA THR A 71 -0.393 -11.774 9.223 1.00 0.00 C ATOM 1089 C THR A 71 -0.785 -10.330 8.935 1.00 0.00 C ATOM 1090 O THR A 71 -0.702 -9.484 9.823 1.00 0.00 O ATOM 1091 CB THR A 71 0.818 -12.182 8.367 1.00 0.00 C ATOM 1092 OG1 THR A 71 0.892 -13.584 8.215 1.00 0.00 O ATOM 1093 CG2 THR A 71 2.137 -11.660 8.954 1.00 0.00 C ATOM 0 H THR A 71 -1.608 -13.045 8.061 1.00 0.00 H new ATOM 0 HA THR A 71 -0.104 -11.856 10.271 1.00 0.00 H new ATOM 0 HB THR A 71 0.672 -11.726 7.388 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.670 -13.813 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.966 -11.971 8.319 1.00 0.00 H new ATOM 0 HG22 THR A 71 2.107 -10.572 9.005 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.276 -12.067 9.956 1.00 0.00 H new ATOM 1101 N ALA A 72 -1.187 -10.039 7.691 1.00 0.00 N ATOM 1102 CA ALA A 72 -1.512 -8.686 7.304 1.00 0.00 C ATOM 1103 C ALA A 72 -2.737 -8.245 8.085 1.00 0.00 C ATOM 1104 O ALA A 72 -3.735 -8.961 8.180 1.00 0.00 O ATOM 1105 CB ALA A 72 -1.744 -8.624 5.793 1.00 0.00 C ATOM 0 H ALA A 72 -1.291 -10.729 6.947 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.690 -8.007 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.989 -7.602 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.840 -8.941 5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.568 -9.285 5.524 1.00 0.00 H new ATOM 1111 N LYS A 73 -2.679 -7.014 8.574 1.00 0.00 N ATOM 1112 CA LYS A 73 -3.790 -6.298 9.170 1.00 0.00 C ATOM 1113 C LYS A 73 -3.687 -4.856 8.713 1.00 0.00 C ATOM 1114 O LYS A 73 -2.578 -4.342 8.519 1.00 0.00 O ATOM 1115 CB LYS A 73 -3.767 -6.441 10.701 1.00 0.00 C ATOM 1116 CG LYS A 73 -2.396 -6.249 11.393 1.00 0.00 C ATOM 1117 CD LYS A 73 -1.987 -7.474 12.224 1.00 0.00 C ATOM 1118 CE LYS A 73 -2.836 -7.568 13.494 1.00 0.00 C ATOM 1119 NZ LYS A 73 -2.609 -8.800 14.276 1.00 0.00 N ATOM 0 H LYS A 73 -1.818 -6.467 8.564 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.748 -6.709 8.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.465 -5.718 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.142 -7.432 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.634 -6.054 10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.437 -5.372 12.039 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.108 -8.380 11.631 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.932 -7.405 12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.625 -6.705 14.125 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.890 -7.512 13.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.217 -8.793 15.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.837 -9.629 13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.612 -8.847 14.569 1.00 0.00 H new ATOM 1133 N MET A 74 -4.827 -4.187 8.553 1.00 0.00 N ATOM 1134 CA MET A 74 -4.855 -2.749 8.710 1.00 0.00 C ATOM 1135 C MET A 74 -4.720 -2.497 10.210 1.00 0.00 C ATOM 1136 O MET A 74 -5.401 -3.163 10.995 1.00 0.00 O ATOM 1137 CB MET A 74 -6.187 -2.194 8.198 1.00 0.00 C ATOM 1138 CG MET A 74 -6.160 -0.672 8.170 1.00 0.00 C ATOM 1139 SD MET A 74 -6.705 0.096 9.708 1.00 0.00 S ATOM 1140 CE MET A 74 -8.456 -0.153 9.393 1.00 0.00 C ATOM 0 H MET A 74 -5.723 -4.614 8.319 1.00 0.00 H new ATOM 0 HA MET A 74 -4.059 -2.262 8.147 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.386 -2.578 7.197 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.000 -2.537 8.838 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.145 -0.340 7.949 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.794 -0.322 7.356 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.930 0.808 9.192 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.581 -0.807 8.530 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.921 -0.612 10.266 1.00 0.00 H new ATOM 1150 N PHE A 75 -3.889 -1.541 10.610 1.00 0.00 N ATOM 1151 CA PHE A 75 -3.638 -1.239 12.018 1.00 0.00 C ATOM 1152 C PHE A 75 -3.564 0.269 12.288 1.00 0.00 C ATOM 1153 O PHE A 75 -3.279 0.675 13.413 1.00 0.00 O ATOM 1154 CB PHE A 75 -2.349 -1.953 12.444 1.00 0.00 C ATOM 1155 CG PHE A 75 -1.097 -1.372 11.817 1.00 0.00 C ATOM 1156 CD1 PHE A 75 -0.723 -1.713 10.501 1.00 0.00 C ATOM 1157 CD2 PHE A 75 -0.321 -0.454 12.547 1.00 0.00 C ATOM 1158 CE1 PHE A 75 0.409 -1.117 9.917 1.00 0.00 C ATOM 1159 CE2 PHE A 75 0.813 0.127 11.966 1.00 0.00 C ATOM 1160 CZ PHE A 75 1.178 -0.198 10.648 1.00 0.00 C ATOM 0 H PHE A 75 -3.367 -0.949 9.964 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.476 -1.603 12.613 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.258 -1.904 13.529 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.423 -3.007 12.178 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.305 -2.431 9.942 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.600 -0.197 13.558 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.687 -1.367 8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.409 0.827 12.532 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.048 0.258 10.199 1.00 0.00 H new ATOM 1170 N LYS A 76 -3.780 1.112 11.274 1.00 0.00 N ATOM 1171 CA LYS A 76 -3.612 2.558 11.358 1.00 0.00 C ATOM 1172 C LYS A 76 -4.463 3.143 10.244 1.00 0.00 C ATOM 1173 O LYS A 76 -4.494 2.594 9.135 1.00 0.00 O ATOM 1174 CB LYS A 76 -2.118 2.908 11.229 1.00 0.00 C ATOM 1175 CG LYS A 76 -1.822 4.414 11.279 1.00 0.00 C ATOM 1176 CD LYS A 76 -0.311 4.674 11.142 1.00 0.00 C ATOM 1177 CE LYS A 76 0.098 6.049 11.688 1.00 0.00 C ATOM 1178 NZ LYS A 76 0.252 6.023 13.158 1.00 0.00 N ATOM 0 H LYS A 76 -4.083 0.797 10.353 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.934 2.972 12.313 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.569 2.414 12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.741 2.505 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.358 4.922 10.478 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.184 4.830 12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.238 3.897 11.674 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.027 4.604 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.036 6.360 11.228 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.653 6.789 11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.529 6.967 13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.650 5.750 13.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.986 5.334 13.418 1.00 0.00 H new ATOM 1192 N SER A 77 -5.200 4.206 10.534 1.00 0.00 N ATOM 1193 CA SER A 77 -6.170 4.781 9.626 1.00 0.00 C ATOM 1194 C SER A 77 -6.257 6.274 9.912 1.00 0.00 C ATOM 1195 O SER A 77 -6.910 6.651 10.888 1.00 0.00 O ATOM 1196 CB SER A 77 -7.509 4.040 9.810 1.00 0.00 C ATOM 1197 OG SER A 77 -8.016 3.959 11.136 1.00 0.00 O ATOM 0 H SER A 77 -5.136 4.699 11.425 1.00 0.00 H new ATOM 0 HA SER A 77 -5.884 4.666 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.258 4.531 9.189 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.392 3.026 9.428 1.00 0.00 H new ATOM 0 HG SER A 77 -7.859 4.809 11.599 1.00 0.00 H new ATOM 1203 N ASP A 78 -5.607 7.120 9.109 1.00 0.00 N ATOM 1204 CA ASP A 78 -5.673 8.573 9.311 1.00 0.00 C ATOM 1205 C ASP A 78 -6.791 9.082 8.402 1.00 0.00 C ATOM 1206 O ASP A 78 -7.635 8.302 7.941 1.00 0.00 O ATOM 1207 CB ASP A 78 -4.295 9.228 9.068 1.00 0.00 C ATOM 1208 CG ASP A 78 -3.916 10.330 10.053 1.00 0.00 C ATOM 1209 OD1 ASP A 78 -4.192 10.196 11.261 1.00 0.00 O ATOM 1210 OD2 ASP A 78 -3.281 11.310 9.599 1.00 0.00 O ATOM 0 H ASP A 78 -5.033 6.829 8.318 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.910 8.842 10.340 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.530 8.452 9.104 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.281 9.643 8.060 1.00 0.00 H new ATOM 1215 N ALA A 79 -6.861 10.383 8.164 1.00 0.00 N ATOM 1216 CA ALA A 79 -7.792 10.971 7.210 1.00 0.00 C ATOM 1217 C ALA A 79 -7.039 11.861 6.217 1.00 0.00 C ATOM 1218 O ALA A 79 -5.886 12.235 6.456 1.00 0.00 O ATOM 1219 CB ALA A 79 -8.888 11.700 7.995 1.00 0.00 C ATOM 0 H ALA A 79 -6.268 11.068 8.632 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.278 10.207 6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.597 12.148 7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.409 10.990 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.438 12.481 8.608 1.00 0.00 H new ATOM 1225 N ILE A 80 -7.680 12.178 5.089 1.00 0.00 N ATOM 1226 CA ILE A 80 -7.169 13.088 4.063 1.00 0.00 C ATOM 1227 C ILE A 80 -8.300 14.033 3.681 1.00 0.00 C ATOM 1228 O ILE A 80 -9.475 13.650 3.683 1.00 0.00 O ATOM 1229 CB ILE A 80 -6.652 12.316 2.824 1.00 0.00 C ATOM 1230 CG1 ILE A 80 -5.551 11.333 3.246 1.00 0.00 C ATOM 1231 CG2 ILE A 80 -6.125 13.237 1.706 1.00 0.00 C ATOM 1232 CD1 ILE A 80 -5.086 10.426 2.112 1.00 0.00 C ATOM 0 H ILE A 80 -8.597 11.796 4.858 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.320 13.648 4.455 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.507 11.779 2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.698 11.895 3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.918 10.717 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.779 12.631 0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.925 13.896 1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.298 13.836 2.087 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.308 9.756 2.478 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.928 9.838 1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.689 11.034 1.299 1.00 0.00 H new ATOM 1244 N LEU A 81 -7.920 15.252 3.317 1.00 0.00 N ATOM 1245 CA LEU A 81 -8.818 16.300 2.869 1.00 0.00 C ATOM 1246 C LEU A 81 -8.510 16.702 1.434 1.00 0.00 C ATOM 1247 O LEU A 81 -7.347 16.811 1.033 1.00 0.00 O ATOM 1248 CB LEU A 81 -8.721 17.526 3.789 1.00 0.00 C ATOM 1249 CG LEU A 81 -8.997 17.261 5.278 1.00 0.00 C ATOM 1250 CD1 LEU A 81 -8.884 18.568 6.065 1.00 0.00 C ATOM 1251 CD2 LEU A 81 -10.390 16.673 5.481 1.00 0.00 C ATOM 0 H LEU A 81 -6.943 15.544 3.327 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.835 15.909 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.722 17.952 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.425 18.280 3.436 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.259 16.544 5.637 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.080 18.376 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.879 18.975 5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.612 19.285 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.559 16.495 6.543 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.138 17.372 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.470 15.731 4.938 1.00 0.00 H new ATOM 1263 N GLY A 82 -9.547 17.021 0.665 1.00 0.00 N ATOM 1264 CA GLY A 82 -9.426 17.612 -0.659 1.00 0.00 C ATOM 1265 C GLY A 82 -9.576 19.120 -0.558 1.00 0.00 C ATOM 1266 O GLY A 82 -10.461 19.681 -1.199 1.00 0.00 O ATOM 0 H GLY A 82 -10.514 16.872 0.953 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.459 17.361 -1.094 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.189 17.204 -1.322 1.00 0.00 H new ATOM 1270 N GLN A 83 -8.741 19.759 0.269 1.00 0.00 N ATOM 1271 CA GLN A 83 -8.659 21.198 0.520 1.00 0.00 C ATOM 1272 C GLN A 83 -9.888 21.759 1.250 1.00 0.00 C ATOM 1273 O GLN A 83 -9.765 22.261 2.365 1.00 0.00 O ATOM 1274 CB GLN A 83 -8.355 21.946 -0.791 1.00 0.00 C ATOM 1275 CG GLN A 83 -7.809 23.360 -0.568 1.00 0.00 C ATOM 1276 CD GLN A 83 -6.331 23.347 -0.176 1.00 0.00 C ATOM 1277 OE1 GLN A 83 -5.488 22.837 -0.918 1.00 0.00 O ATOM 1278 NE2 GLN A 83 -5.977 23.878 0.982 1.00 0.00 N ATOM 0 H GLN A 83 -8.055 19.243 0.820 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.831 21.365 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -7.632 21.372 -1.370 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -9.266 22.005 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.938 23.946 -1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.387 23.853 0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.683 24.297 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.998 23.869 1.269 1.00 0.00 H new ATOM 1287 N ASN A 84 -11.077 21.665 0.654 1.00 0.00 N ATOM 1288 CA ASN A 84 -12.335 22.250 1.136 1.00 0.00 C ATOM 1289 C ASN A 84 -12.926 21.470 2.326 1.00 0.00 C ATOM 1290 O ASN A 84 -14.145 21.394 2.460 1.00 0.00 O ATOM 1291 CB ASN A 84 -13.340 22.338 -0.033 1.00 0.00 C ATOM 1292 CG ASN A 84 -12.918 23.319 -1.119 1.00 0.00 C ATOM 1293 OD1 ASN A 84 -12.301 24.347 -0.854 1.00 0.00 O ATOM 1294 ND2 ASN A 84 -13.234 23.039 -2.366 1.00 0.00 N ATOM 0 H ASN A 84 -11.198 21.155 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.124 23.253 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -13.461 21.349 -0.474 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.314 22.635 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.966 23.677 -3.116 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.747 22.184 -2.583 1.00 0.00 H new ATOM 1301 N LYS A 85 -12.086 20.829 3.150 1.00 0.00 N ATOM 1302 CA LYS A 85 -12.419 19.847 4.193 1.00 0.00 C ATOM 1303 C LYS A 85 -13.212 18.632 3.684 1.00 0.00 C ATOM 1304 O LYS A 85 -13.658 17.812 4.485 1.00 0.00 O ATOM 1305 CB LYS A 85 -13.057 20.516 5.430 1.00 0.00 C ATOM 1306 CG LYS A 85 -12.157 21.624 6.006 1.00 0.00 C ATOM 1307 CD LYS A 85 -12.614 22.152 7.372 1.00 0.00 C ATOM 1308 CE LYS A 85 -12.163 21.234 8.518 1.00 0.00 C ATOM 1309 NZ LYS A 85 -12.644 21.715 9.829 1.00 0.00 N ATOM 0 H LYS A 85 -11.081 20.995 3.102 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.467 19.426 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -14.024 20.938 5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -13.242 19.763 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.140 21.241 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.123 22.454 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -12.211 23.153 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.700 22.240 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.535 20.225 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -11.075 21.175 8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.319 21.069 10.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -12.269 22.668 10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.684 21.747 9.827 1.00 0.00 H new ATOM 1323 N VAL A 86 -13.323 18.464 2.367 1.00 0.00 N ATOM 1324 CA VAL A 86 -13.966 17.315 1.742 1.00 0.00 C ATOM 1325 C VAL A 86 -13.170 16.047 2.058 1.00 0.00 C ATOM 1326 O VAL A 86 -11.959 16.008 1.824 1.00 0.00 O ATOM 1327 CB VAL A 86 -14.275 17.555 0.261 1.00 0.00 C ATOM 1328 CG1 VAL A 86 -13.068 18.134 -0.439 1.00 0.00 C ATOM 1329 CG2 VAL A 86 -14.786 16.304 -0.465 1.00 0.00 C ATOM 0 H VAL A 86 -12.960 19.138 1.693 1.00 0.00 H new ATOM 0 HA VAL A 86 -14.955 17.163 2.174 1.00 0.00 H new ATOM 0 HB VAL A 86 -15.092 18.276 0.224 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -13.302 18.299 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -12.798 19.082 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -12.232 17.439 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -14.985 16.545 -1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -14.032 15.519 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -15.705 15.958 0.009 1.00 0.00 H new ATOM 1339 N VAL A 87 -13.827 15.015 2.589 1.00 0.00 N ATOM 1340 CA VAL A 87 -13.216 13.725 2.887 1.00 0.00 C ATOM 1341 C VAL A 87 -13.040 12.968 1.563 1.00 0.00 C ATOM 1342 O VAL A 87 -13.893 12.177 1.154 1.00 0.00 O ATOM 1343 CB VAL A 87 -14.063 12.953 3.925 1.00 0.00 C ATOM 1344 CG1 VAL A 87 -13.348 11.657 4.345 1.00 0.00 C ATOM 1345 CG2 VAL A 87 -14.341 13.805 5.174 1.00 0.00 C ATOM 0 H VAL A 87 -14.818 15.056 2.828 1.00 0.00 H new ATOM 0 HA VAL A 87 -12.234 13.849 3.343 1.00 0.00 H new ATOM 0 HB VAL A 87 -15.014 12.711 3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.958 11.126 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.197 11.025 3.470 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.382 11.901 4.787 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -14.939 13.230 5.881 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -13.397 14.085 5.641 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -14.885 14.705 4.887 1.00 0.00 H new ATOM 1355 N ILE A 88 -11.944 13.233 0.851 1.00 0.00 N ATOM 1356 CA ILE A 88 -11.650 12.556 -0.413 1.00 0.00 C ATOM 1357 C ILE A 88 -11.263 11.094 -0.194 1.00 0.00 C ATOM 1358 O ILE A 88 -11.483 10.264 -1.074 1.00 0.00 O ATOM 1359 CB ILE A 88 -10.575 13.324 -1.209 1.00 0.00 C ATOM 1360 CG1 ILE A 88 -9.279 13.599 -0.416 1.00 0.00 C ATOM 1361 CG2 ILE A 88 -11.221 14.625 -1.712 1.00 0.00 C ATOM 1362 CD1 ILE A 88 -8.159 14.139 -1.318 1.00 0.00 C ATOM 0 H ILE A 88 -11.241 13.917 1.131 1.00 0.00 H new ATOM 0 HA ILE A 88 -12.562 12.551 -1.010 1.00 0.00 H new ATOM 0 HB ILE A 88 -10.246 12.701 -2.041 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -9.484 14.318 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -8.946 12.679 0.065 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -10.489 15.198 -2.282 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.071 14.386 -2.350 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.561 15.215 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.265 14.319 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.934 13.409 -2.096 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -8.481 15.073 -1.779 1.00 0.00 H new ATOM 1374 N GLY A 89 -10.715 10.755 0.970 1.00 0.00 N ATOM 1375 CA GLY A 89 -10.271 9.407 1.260 1.00 0.00 C ATOM 1376 C GLY A 89 -9.500 9.359 2.565 1.00 0.00 C ATOM 1377 O GLY A 89 -9.451 10.338 3.316 1.00 0.00 O ATOM 0 H GLY A 89 -10.569 11.413 1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.132 8.741 1.317 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.641 9.045 0.448 1.00 0.00 H new ATOM 1381 N TRP A 90 -8.891 8.206 2.833 1.00 0.00 N ATOM 1382 CA TRP A 90 -8.133 7.947 4.047 1.00 0.00 C ATOM 1383 C TRP A 90 -6.963 7.079 3.627 1.00 0.00 C ATOM 1384 O TRP A 90 -7.115 6.245 2.729 1.00 0.00 O ATOM 1385 CB TRP A 90 -9.008 7.188 5.049 1.00 0.00 C ATOM 1386 CG TRP A 90 -10.358 7.768 5.327 1.00 0.00 C ATOM 1387 CD1 TRP A 90 -10.693 8.587 6.349 1.00 0.00 C ATOM 1388 CD2 TRP A 90 -11.566 7.592 4.532 1.00 0.00 C ATOM 1389 NE1 TRP A 90 -12.027 8.936 6.229 1.00 0.00 N ATOM 1390 CE2 TRP A 90 -12.621 8.324 5.145 1.00 0.00 C ATOM 1391 CE3 TRP A 90 -11.863 6.899 3.339 1.00 0.00 C ATOM 1392 CZ2 TRP A 90 -13.919 8.345 4.611 1.00 0.00 C ATOM 1393 CZ3 TRP A 90 -13.155 6.937 2.781 1.00 0.00 C ATOM 1394 CH2 TRP A 90 -14.180 7.657 3.416 1.00 0.00 C ATOM 0 H TRP A 90 -8.914 7.410 2.195 1.00 0.00 H new ATOM 0 HA TRP A 90 -7.800 8.870 4.522 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -9.142 6.170 4.683 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -8.466 7.118 5.992 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -10.027 8.916 7.133 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.512 9.569 6.865 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -11.088 6.331 2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -14.708 8.884 5.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -13.359 6.410 1.861 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -15.170 7.681 2.984 1.00 0.00 H new ATOM 1405 N ASP A 91 -5.789 7.298 4.202 1.00 0.00 N ATOM 1406 CA ASP A 91 -4.585 6.548 3.854 1.00 0.00 C ATOM 1407 C ASP A 91 -4.614 5.244 4.658 1.00 0.00 C ATOM 1408 O ASP A 91 -4.231 5.246 5.831 1.00 0.00 O ATOM 1409 CB ASP A 91 -3.316 7.416 4.063 1.00 0.00 C ATOM 1410 CG ASP A 91 -2.468 7.545 2.798 1.00 0.00 C ATOM 1411 OD1 ASP A 91 -2.171 6.493 2.205 1.00 0.00 O ATOM 1412 OD2 ASP A 91 -2.097 8.681 2.422 1.00 0.00 O ATOM 0 H ASP A 91 -5.642 8.002 4.925 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.555 6.287 2.796 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.613 8.410 4.398 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.710 6.980 4.857 1.00 0.00 H new ATOM 1417 N LYS A 92 -5.155 4.156 4.091 1.00 0.00 N ATOM 1418 CA LYS A 92 -5.248 2.886 4.819 1.00 0.00 C ATOM 1419 C LYS A 92 -3.881 2.202 4.848 1.00 0.00 C ATOM 1420 O LYS A 92 -3.436 1.668 3.830 1.00 0.00 O ATOM 1421 CB LYS A 92 -6.306 1.911 4.254 1.00 0.00 C ATOM 1422 CG LYS A 92 -7.803 2.134 4.535 1.00 0.00 C ATOM 1423 CD LYS A 92 -8.298 3.568 4.348 1.00 0.00 C ATOM 1424 CE LYS A 92 -9.832 3.644 4.357 1.00 0.00 C ATOM 1425 NZ LYS A 92 -10.423 3.543 5.711 1.00 0.00 N ATOM 0 H LYS A 92 -5.530 4.131 3.143 1.00 0.00 H new ATOM 0 HA LYS A 92 -5.575 3.140 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.181 1.893 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.055 0.916 4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.380 1.480 3.881 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -8.013 1.826 5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.898 4.198 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.919 3.964 3.406 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -10.143 4.585 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.231 2.843 3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.459 3.601 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -10.155 2.634 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.071 4.322 6.303 1.00 0.00 H new ATOM 1439 N TYR A 93 -3.243 2.195 6.018 1.00 0.00 N ATOM 1440 CA TYR A 93 -1.944 1.561 6.225 1.00 0.00 C ATOM 1441 C TYR A 93 -2.108 0.045 6.371 1.00 0.00 C ATOM 1442 O TYR A 93 -3.149 -0.418 6.842 1.00 0.00 O ATOM 1443 CB TYR A 93 -1.349 2.102 7.524 1.00 0.00 C ATOM 1444 CG TYR A 93 -0.943 3.565 7.518 1.00 0.00 C ATOM 1445 CD1 TYR A 93 -1.895 4.577 7.756 1.00 0.00 C ATOM 1446 CD2 TYR A 93 0.411 3.907 7.352 1.00 0.00 C ATOM 1447 CE1 TYR A 93 -1.491 5.920 7.883 1.00 0.00 C ATOM 1448 CE2 TYR A 93 0.823 5.242 7.479 1.00 0.00 C ATOM 1449 CZ TYR A 93 -0.119 6.255 7.762 1.00 0.00 C ATOM 1450 OH TYR A 93 0.324 7.531 7.933 1.00 0.00 O ATOM 0 H TYR A 93 -3.619 2.635 6.858 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.300 1.775 5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.076 1.952 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.472 1.504 7.774 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.941 4.321 7.841 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.136 3.139 7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.223 6.691 8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.866 5.496 7.360 1.00 0.00 H new ATOM 0 HH TYR A 93 1.296 7.559 7.811 1.00 0.00 H new ATOM 1460 N PHE A 94 -1.065 -0.739 6.087 1.00 0.00 N ATOM 1461 CA PHE A 94 -1.087 -2.201 6.185 1.00 0.00 C ATOM 1462 C PHE A 94 0.261 -2.756 6.642 1.00 0.00 C ATOM 1463 O PHE A 94 1.292 -2.163 6.321 1.00 0.00 O ATOM 1464 CB PHE A 94 -1.440 -2.775 4.808 1.00 0.00 C ATOM 1465 CG PHE A 94 -2.867 -2.472 4.390 1.00 0.00 C ATOM 1466 CD1 PHE A 94 -3.933 -3.177 4.977 1.00 0.00 C ATOM 1467 CD2 PHE A 94 -3.138 -1.446 3.470 1.00 0.00 C ATOM 1468 CE1 PHE A 94 -5.262 -2.880 4.629 1.00 0.00 C ATOM 1469 CE2 PHE A 94 -4.467 -1.132 3.143 1.00 0.00 C ATOM 1470 CZ PHE A 94 -5.531 -1.845 3.718 1.00 0.00 C ATOM 0 H PHE A 94 -0.166 -0.370 5.777 1.00 0.00 H new ATOM 0 HA PHE A 94 -1.831 -2.491 6.927 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.755 -2.369 4.064 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -1.292 -3.855 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -3.729 -3.952 5.701 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.325 -0.899 3.015 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -6.074 -3.446 5.061 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -4.672 -0.335 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 94 -6.551 -1.599 3.461 1.00 0.00 H new ATOM 1480 N GLU A 95 0.248 -3.897 7.349 1.00 0.00 N ATOM 1481 CA GLU A 95 1.436 -4.585 7.870 1.00 0.00 C ATOM 1482 C GLU A 95 1.653 -5.922 7.158 1.00 0.00 C ATOM 1483 O GLU A 95 1.329 -6.981 7.693 1.00 0.00 O ATOM 1484 CB GLU A 95 1.281 -4.809 9.383 1.00 0.00 C ATOM 1485 CG GLU A 95 2.623 -5.232 9.994 1.00 0.00 C ATOM 1486 CD GLU A 95 2.617 -5.220 11.520 1.00 0.00 C ATOM 1487 OE1 GLU A 95 2.846 -4.143 12.119 1.00 0.00 O ATOM 1488 OE2 GLU A 95 2.476 -6.299 12.134 1.00 0.00 O ATOM 0 H GLU A 95 -0.620 -4.381 7.580 1.00 0.00 H new ATOM 0 HA GLU A 95 2.309 -3.959 7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.928 -3.894 9.859 1.00 0.00 H new ATOM 0 HB3 GLU A 95 0.530 -5.576 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.874 -6.234 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.406 -4.564 9.635 1.00 0.00 H new ATOM 1495 N ILE A 96 2.143 -5.909 5.927 1.00 0.00 N ATOM 1496 CA ILE A 96 2.252 -7.133 5.147 1.00 0.00 C ATOM 1497 C ILE A 96 3.569 -7.843 5.528 1.00 0.00 C ATOM 1498 O ILE A 96 4.566 -7.166 5.776 1.00 0.00 O ATOM 1499 CB ILE A 96 2.128 -6.778 3.649 1.00 0.00 C ATOM 1500 CG1 ILE A 96 0.944 -5.814 3.361 1.00 0.00 C ATOM 1501 CG2 ILE A 96 1.951 -8.046 2.814 1.00 0.00 C ATOM 1502 CD1 ILE A 96 1.452 -4.404 3.064 1.00 0.00 C ATOM 0 H ILE A 96 2.470 -5.069 5.449 1.00 0.00 H new ATOM 0 HA ILE A 96 1.448 -7.837 5.363 1.00 0.00 H new ATOM 0 HB ILE A 96 3.052 -6.270 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 96 0.366 -6.183 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.272 -5.790 4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 96 1.865 -7.779 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.814 -8.697 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.048 -8.567 3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.606 -3.747 2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 96 2.009 -4.029 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 96 2.105 -4.429 2.191 1.00 0.00 H new ATOM 1514 N PRO A 97 3.622 -9.183 5.623 1.00 0.00 N ATOM 1515 CA PRO A 97 4.883 -9.914 5.549 1.00 0.00 C ATOM 1516 C PRO A 97 5.354 -9.872 4.091 1.00 0.00 C ATOM 1517 O PRO A 97 4.575 -10.220 3.201 1.00 0.00 O ATOM 1518 CB PRO A 97 4.565 -11.346 5.971 1.00 0.00 C ATOM 1519 CG PRO A 97 3.103 -11.503 5.559 1.00 0.00 C ATOM 1520 CD PRO A 97 2.510 -10.109 5.760 1.00 0.00 C ATOM 0 HA PRO A 97 5.663 -9.496 6.185 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.207 -12.068 5.467 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.701 -11.492 7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 97 3.013 -11.829 4.523 1.00 0.00 H new ATOM 0 HG3 PRO A 97 2.593 -12.246 6.172 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.736 -9.903 5.021 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.045 -10.019 6.742 1.00 0.00 H new ATOM 1528 N MET A 98 6.606 -9.519 3.809 1.00 0.00 N ATOM 1529 CA MET A 98 7.165 -9.746 2.471 1.00 0.00 C ATOM 1530 C MET A 98 7.101 -11.237 2.134 1.00 0.00 C ATOM 1531 O MET A 98 6.772 -11.617 1.011 1.00 0.00 O ATOM 1532 CB MET A 98 8.623 -9.288 2.379 1.00 0.00 C ATOM 1533 CG MET A 98 8.776 -7.802 2.668 1.00 0.00 C ATOM 1534 SD MET A 98 10.488 -7.251 2.624 1.00 0.00 S ATOM 1535 CE MET A 98 10.317 -5.798 3.679 1.00 0.00 C ATOM 0 H MET A 98 7.246 -9.082 4.473 1.00 0.00 H new ATOM 0 HA MET A 98 6.573 -9.164 1.765 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.227 -9.858 3.085 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.008 -9.505 1.383 1.00 0.00 H new ATOM 0 HG2 MET A 98 8.198 -7.234 1.939 1.00 0.00 H new ATOM 0 HG3 MET A 98 8.354 -7.583 3.649 1.00 0.00 H new ATOM 0 HE1 MET A 98 11.114 -5.089 3.454 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.351 -5.328 3.497 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.383 -6.098 4.725 1.00 0.00 H new ATOM 1545 N ASP A 99 7.406 -12.072 3.130 1.00 0.00 N ATOM 1546 CA ASP A 99 7.619 -13.505 2.988 1.00 0.00 C ATOM 1547 C ASP A 99 6.422 -14.190 2.315 1.00 0.00 C ATOM 1548 O ASP A 99 6.609 -14.968 1.379 1.00 0.00 O ATOM 1549 CB ASP A 99 7.933 -14.108 4.365 1.00 0.00 C ATOM 1550 CG ASP A 99 8.844 -15.336 4.289 1.00 0.00 C ATOM 1551 OD1 ASP A 99 8.787 -16.075 3.284 1.00 0.00 O ATOM 1552 OD2 ASP A 99 9.645 -15.506 5.240 1.00 0.00 O ATOM 0 H ASP A 99 7.514 -11.751 4.092 1.00 0.00 H new ATOM 0 HA ASP A 99 8.472 -13.677 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 99 8.407 -13.349 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 99 7.000 -14.385 4.855 1.00 0.00 H new ATOM 1557 N ALA A 100 5.186 -13.848 2.711 1.00 0.00 N ATOM 1558 CA ALA A 100 3.957 -14.525 2.273 1.00 0.00 C ATOM 1559 C ALA A 100 3.481 -14.133 0.855 1.00 0.00 C ATOM 1560 O ALA A 100 2.398 -14.557 0.433 1.00 0.00 O ATOM 1561 CB ALA A 100 2.827 -14.278 3.282 1.00 0.00 C ATOM 0 H ALA A 100 5.010 -13.078 3.357 1.00 0.00 H new ATOM 0 HA ALA A 100 4.209 -15.585 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.922 -14.785 2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.119 -14.666 4.258 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.636 -13.208 3.360 1.00 0.00 H new ATOM 1567 N LEU A 101 4.220 -13.300 0.120 1.00 0.00 N ATOM 1568 CA LEU A 101 3.777 -12.783 -1.177 1.00 0.00 C ATOM 1569 C LEU A 101 4.165 -13.730 -2.305 1.00 0.00 C ATOM 1570 O LEU A 101 5.115 -14.502 -2.178 1.00 0.00 O ATOM 1571 CB LEU A 101 4.367 -11.390 -1.408 1.00 0.00 C ATOM 1572 CG LEU A 101 3.922 -10.389 -0.329 1.00 0.00 C ATOM 1573 CD1 LEU A 101 4.702 -9.099 -0.540 1.00 0.00 C ATOM 1574 CD2 LEU A 101 2.408 -10.135 -0.354 1.00 0.00 C ATOM 0 H LEU A 101 5.140 -12.965 0.406 1.00 0.00 H new ATOM 0 HA LEU A 101 2.690 -12.709 -1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.455 -11.454 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.062 -11.025 -2.389 1.00 0.00 H new ATOM 0 HG LEU A 101 4.134 -10.805 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.407 -8.368 0.213 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.769 -9.301 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.489 -8.703 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.146 -9.421 0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.123 -9.731 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.879 -11.072 -0.181 1.00 0.00 H new ATOM 1586 N GLN A 102 3.420 -13.676 -3.409 1.00 0.00 N ATOM 1587 CA GLN A 102 3.511 -14.625 -4.506 1.00 0.00 C ATOM 1588 C GLN A 102 4.800 -14.481 -5.303 1.00 0.00 C ATOM 1589 O GLN A 102 5.288 -15.464 -5.853 1.00 0.00 O ATOM 1590 CB GLN A 102 2.292 -14.400 -5.408 1.00 0.00 C ATOM 1591 CG GLN A 102 2.048 -15.602 -6.309 1.00 0.00 C ATOM 1592 CD GLN A 102 0.733 -15.460 -7.056 1.00 0.00 C ATOM 1593 OE1 GLN A 102 0.501 -14.453 -7.720 1.00 0.00 O ATOM 1594 NE2 GLN A 102 -0.143 -16.444 -6.967 1.00 0.00 N ATOM 0 H GLN A 102 2.720 -12.950 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 102 3.523 -15.637 -4.102 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.410 -14.217 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.446 -13.510 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.867 -15.700 -7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.035 -16.513 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.073 -17.270 -6.409 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.036 -16.378 -7.456 1.00 0.00 H new ATOM 1603 N ASP A 103 5.310 -13.261 -5.380 1.00 0.00 N ATOM 1604 CA ASP A 103 6.484 -12.857 -6.132 1.00 0.00 C ATOM 1605 C ASP A 103 7.195 -11.802 -5.287 1.00 0.00 C ATOM 1606 O ASP A 103 6.830 -11.581 -4.124 1.00 0.00 O ATOM 1607 CB ASP A 103 6.100 -12.367 -7.545 1.00 0.00 C ATOM 1608 CG ASP A 103 5.166 -11.150 -7.601 1.00 0.00 C ATOM 1609 OD1 ASP A 103 4.843 -10.529 -6.564 1.00 0.00 O ATOM 1610 OD2 ASP A 103 4.686 -10.833 -8.714 1.00 0.00 O ATOM 0 H ASP A 103 4.885 -12.477 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 103 7.161 -13.692 -6.311 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.015 -12.124 -8.085 1.00 0.00 H new ATOM 0 HB3 ASP A 103 5.624 -13.191 -8.078 1.00 0.00 H new ATOM 1615 N ASN A 104 8.238 -11.165 -5.814 1.00 0.00 N ATOM 1616 CA ASN A 104 8.940 -10.111 -5.097 1.00 0.00 C ATOM 1617 C ASN A 104 8.251 -8.770 -5.329 1.00 0.00 C ATOM 1618 O ASN A 104 8.929 -7.755 -5.429 1.00 0.00 O ATOM 1619 CB ASN A 104 10.434 -10.091 -5.455 1.00 0.00 C ATOM 1620 CG ASN A 104 11.106 -11.377 -5.017 1.00 0.00 C ATOM 1621 OD1 ASN A 104 11.023 -12.392 -5.697 1.00 0.00 O ATOM 1622 ND2 ASN A 104 11.721 -11.395 -3.845 1.00 0.00 N ATOM 0 H ASN A 104 8.615 -11.364 -6.741 1.00 0.00 H new ATOM 0 HA ASN A 104 8.893 -10.316 -4.027 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.554 -9.960 -6.530 1.00 0.00 H new ATOM 0 HB3 ASN A 104 10.917 -9.240 -4.974 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.133 -12.261 -3.498 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.783 -10.542 -3.288 1.00 0.00 H new ATOM 1629 N SER A 105 6.919 -8.731 -5.432 1.00 0.00 N ATOM 1630 CA SER A 105 6.194 -7.479 -5.554 1.00 0.00 C ATOM 1631 C SER A 105 5.057 -7.429 -4.542 1.00 0.00 C ATOM 1632 O SER A 105 4.604 -8.455 -4.023 1.00 0.00 O ATOM 1633 CB SER A 105 5.711 -7.292 -6.996 1.00 0.00 C ATOM 1634 OG SER A 105 4.539 -8.047 -7.260 1.00 0.00 O ATOM 0 H SER A 105 6.326 -9.561 -5.433 1.00 0.00 H new ATOM 0 HA SER A 105 6.857 -6.645 -5.327 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.512 -6.236 -7.179 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.500 -7.592 -7.686 1.00 0.00 H new ATOM 0 HG SER A 105 4.578 -8.894 -6.769 1.00 0.00 H new ATOM 1640 N ILE A 106 4.546 -6.227 -4.308 1.00 0.00 N ATOM 1641 CA ILE A 106 3.323 -6.016 -3.555 1.00 0.00 C ATOM 1642 C ILE A 106 2.262 -5.498 -4.525 1.00 0.00 C ATOM 1643 O ILE A 106 2.600 -4.882 -5.540 1.00 0.00 O ATOM 1644 CB ILE A 106 3.635 -5.124 -2.339 1.00 0.00 C ATOM 1645 CG1 ILE A 106 2.487 -4.980 -1.325 1.00 0.00 C ATOM 1646 CG2 ILE A 106 4.109 -3.718 -2.749 1.00 0.00 C ATOM 1647 CD1 ILE A 106 1.835 -6.287 -0.859 1.00 0.00 C ATOM 0 H ILE A 106 4.976 -5.364 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 106 2.909 -6.928 -3.125 1.00 0.00 H new ATOM 0 HB ILE A 106 4.441 -5.662 -1.840 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.866 -4.454 -0.449 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.715 -4.349 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.316 -3.129 -1.856 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.016 -3.800 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.331 -3.228 -3.335 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.040 -6.064 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 106 1.416 -6.811 -1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.585 -6.917 -0.380 1.00 0.00 H new ATOM 1659 N GLN A 107 0.986 -5.727 -4.219 1.00 0.00 N ATOM 1660 CA GLN A 107 -0.175 -5.192 -4.914 1.00 0.00 C ATOM 1661 C GLN A 107 -1.353 -5.276 -3.945 1.00 0.00 C ATOM 1662 O GLN A 107 -1.451 -6.231 -3.174 1.00 0.00 O ATOM 1663 CB GLN A 107 -0.435 -6.024 -6.185 1.00 0.00 C ATOM 1664 CG GLN A 107 -1.752 -5.666 -6.887 1.00 0.00 C ATOM 1665 CD GLN A 107 -1.938 -6.408 -8.201 1.00 0.00 C ATOM 1666 OE1 GLN A 107 -1.653 -7.599 -8.307 1.00 0.00 O ATOM 1667 NE2 GLN A 107 -2.480 -5.750 -9.202 1.00 0.00 N ATOM 0 H GLN A 107 0.724 -6.325 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 107 -0.023 -4.158 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.391 -5.878 -6.881 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -0.447 -7.082 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -2.586 -5.895 -6.224 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.779 -4.592 -7.074 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -2.710 -4.762 -9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.670 -6.228 -10.083 1.00 0.00 H new ATOM 1676 N ILE A 108 -2.280 -4.326 -4.028 1.00 0.00 N ATOM 1677 CA ILE A 108 -3.555 -4.337 -3.318 1.00 0.00 C ATOM 1678 C ILE A 108 -4.652 -4.396 -4.389 1.00 0.00 C ATOM 1679 O ILE A 108 -4.442 -3.993 -5.540 1.00 0.00 O ATOM 1680 CB ILE A 108 -3.661 -3.081 -2.411 1.00 0.00 C ATOM 1681 CG1 ILE A 108 -2.429 -2.952 -1.485 1.00 0.00 C ATOM 1682 CG2 ILE A 108 -4.946 -3.126 -1.560 1.00 0.00 C ATOM 1683 CD1 ILE A 108 -2.397 -1.672 -0.640 1.00 0.00 C ATOM 0 H ILE A 108 -2.160 -3.498 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 108 -3.655 -5.196 -2.655 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.697 -2.210 -3.065 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -2.401 -3.813 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.527 -2.992 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -4.998 -2.236 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -5.816 -3.159 -2.216 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.933 -4.014 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.499 -1.666 -0.022 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -2.391 -0.802 -1.297 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -3.278 -1.637 0.000 1.00 0.00 H new ATOM 1695 N LYS A 109 -5.843 -4.879 -4.038 1.00 0.00 N ATOM 1696 CA LYS A 109 -7.035 -4.666 -4.851 1.00 0.00 C ATOM 1697 C LYS A 109 -8.236 -4.421 -3.930 1.00 0.00 C ATOM 1698 O LYS A 109 -8.204 -4.916 -2.803 1.00 0.00 O ATOM 1699 CB LYS A 109 -7.176 -5.807 -5.880 1.00 0.00 C ATOM 1700 CG LYS A 109 -7.173 -7.244 -5.329 1.00 0.00 C ATOM 1701 CD LYS A 109 -6.083 -8.153 -5.932 1.00 0.00 C ATOM 1702 CE LYS A 109 -4.657 -7.793 -5.473 1.00 0.00 C ATOM 1703 NZ LYS A 109 -3.710 -8.926 -5.635 1.00 0.00 N ATOM 0 H LYS A 109 -6.006 -5.423 -3.191 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.964 -3.765 -5.461 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.105 -5.656 -6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -6.362 -5.718 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.040 -7.206 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -8.148 -7.694 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.293 -9.187 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -6.132 -8.093 -7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.298 -6.938 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.680 -7.489 -4.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -2.858 -8.751 -5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.164 -9.806 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -3.443 -9.015 -6.636 1.00 0.00 H new ATOM 1717 N ALA A 110 -9.247 -3.625 -4.304 1.00 0.00 N ATOM 1718 CA ALA A 110 -10.358 -3.319 -3.388 1.00 0.00 C ATOM 1719 C ALA A 110 -11.661 -3.164 -4.161 1.00 0.00 C ATOM 1720 O ALA A 110 -11.625 -2.817 -5.342 1.00 0.00 O ATOM 1721 CB ALA A 110 -10.030 -2.051 -2.598 1.00 0.00 C ATOM 0 H ALA A 110 -9.320 -3.186 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 110 -10.488 -4.144 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.852 -1.823 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.117 -2.206 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -9.888 -1.219 -3.288 1.00 0.00 H new ATOM 1727 N LEU A 111 -12.804 -3.390 -3.504 1.00 0.00 N ATOM 1728 CA LEU A 111 -14.107 -3.204 -4.137 1.00 0.00 C ATOM 1729 C LEU A 111 -14.374 -1.709 -4.317 1.00 0.00 C ATOM 1730 O LEU A 111 -14.490 -0.963 -3.344 1.00 0.00 O ATOM 1731 CB LEU A 111 -15.240 -3.860 -3.332 1.00 0.00 C ATOM 1732 CG LEU A 111 -16.577 -3.814 -4.109 1.00 0.00 C ATOM 1733 CD1 LEU A 111 -16.649 -4.894 -5.193 1.00 0.00 C ATOM 1734 CD2 LEU A 111 -17.772 -3.986 -3.170 1.00 0.00 C ATOM 0 H LEU A 111 -12.849 -3.702 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.084 -3.695 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -14.980 -4.895 -3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.354 -3.349 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 111 -16.619 -2.833 -4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -17.604 -4.824 -5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.837 -4.749 -5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -16.557 -5.878 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -18.696 -3.949 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -17.700 -4.947 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.773 -3.184 -2.432 1.00 0.00 H new ATOM 1746 N SER A 112 -14.498 -1.293 -5.573 1.00 0.00 N ATOM 1747 CA SER A 112 -14.998 0.007 -5.966 1.00 0.00 C ATOM 1748 C SER A 112 -16.526 -0.012 -5.809 1.00 0.00 C ATOM 1749 O SER A 112 -17.027 0.420 -4.767 1.00 0.00 O ATOM 1750 CB SER A 112 -14.439 0.293 -7.368 1.00 0.00 C ATOM 1751 OG SER A 112 -14.955 1.454 -7.984 1.00 0.00 O ATOM 0 H SER A 112 -14.242 -1.877 -6.369 1.00 0.00 H new ATOM 0 HA SER A 112 -14.670 0.841 -5.346 1.00 0.00 H new ATOM 0 HB2 SER A 112 -13.355 0.386 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 112 -14.646 -0.564 -8.009 1.00 0.00 H new ATOM 0 HG SER A 112 -14.375 2.217 -7.780 1.00 0.00 H new ATOM 1757 N SER A 113 -17.262 -0.538 -6.791 1.00 0.00 N ATOM 1758 CA SER A 113 -18.720 -0.561 -6.805 1.00 0.00 C ATOM 1759 C SER A 113 -19.174 -1.806 -7.564 1.00 0.00 C ATOM 1760 O SER A 113 -18.555 -2.182 -8.569 1.00 0.00 O ATOM 1761 CB SER A 113 -19.235 0.739 -7.455 1.00 0.00 C ATOM 1762 OG SER A 113 -20.649 0.793 -7.508 1.00 0.00 O ATOM 0 H SER A 113 -16.847 -0.969 -7.617 1.00 0.00 H new ATOM 0 HA SER A 113 -19.129 -0.609 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.862 1.595 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 113 -18.833 0.821 -8.465 1.00 0.00 H new ATOM 0 HG SER A 113 -20.929 1.634 -7.926 1.00 0.00 H new ATOM 1768 N GLY A 114 -20.265 -2.420 -7.105 1.00 0.00 N ATOM 1769 CA GLY A 114 -20.885 -3.600 -7.685 1.00 0.00 C ATOM 1770 C GLY A 114 -19.970 -4.798 -7.539 1.00 0.00 C ATOM 1771 O GLY A 114 -19.936 -5.422 -6.478 1.00 0.00 O ATOM 0 H GLY A 114 -20.761 -2.087 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -21.837 -3.798 -7.193 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -21.101 -3.425 -8.739 1.00 0.00 H new ATOM 1775 N THR A 115 -19.198 -5.086 -8.585 1.00 0.00 N ATOM 1776 CA THR A 115 -18.172 -6.115 -8.558 1.00 0.00 C ATOM 1777 C THR A 115 -16.856 -5.609 -9.169 1.00 0.00 C ATOM 1778 O THR A 115 -15.941 -6.410 -9.344 1.00 0.00 O ATOM 1779 CB THR A 115 -18.683 -7.439 -9.186 1.00 0.00 C ATOM 1780 OG1 THR A 115 -20.079 -7.472 -9.446 1.00 0.00 O ATOM 1781 CG2 THR A 115 -18.430 -8.595 -8.218 1.00 0.00 C ATOM 0 H THR A 115 -19.271 -4.605 -9.481 1.00 0.00 H new ATOM 0 HA THR A 115 -17.945 -6.348 -7.518 1.00 0.00 H new ATOM 0 HB THR A 115 -18.144 -7.520 -10.130 1.00 0.00 H new ATOM 0 HG1 THR A 115 -20.318 -8.336 -9.841 1.00 0.00 H new ATOM 0 HG21 THR A 115 -18.789 -9.525 -8.660 1.00 0.00 H new ATOM 0 HG22 THR A 115 -17.361 -8.676 -8.020 1.00 0.00 H new ATOM 0 HG23 THR A 115 -18.959 -8.409 -7.283 1.00 0.00 H new ATOM 1789 N THR A 116 -16.726 -4.306 -9.468 1.00 0.00 N ATOM 1790 CA THR A 116 -15.455 -3.708 -9.854 1.00 0.00 C ATOM 1791 C THR A 116 -14.531 -3.831 -8.664 1.00 0.00 C ATOM 1792 O THR A 116 -14.806 -3.312 -7.579 1.00 0.00 O ATOM 1793 CB THR A 116 -15.569 -2.225 -10.220 1.00 0.00 C ATOM 1794 OG1 THR A 116 -16.423 -2.037 -11.330 1.00 0.00 O ATOM 1795 CG2 THR A 116 -14.206 -1.566 -10.514 1.00 0.00 C ATOM 0 H THR A 116 -17.503 -3.646 -9.446 1.00 0.00 H new ATOM 0 HA THR A 116 -15.089 -4.227 -10.740 1.00 0.00 H new ATOM 0 HB THR A 116 -15.991 -1.739 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 116 -16.479 -1.082 -11.541 1.00 0.00 H new ATOM 0 HG21 THR A 116 -14.356 -0.516 -10.767 1.00 0.00 H new ATOM 0 HG22 THR A 116 -13.569 -1.640 -9.633 1.00 0.00 H new ATOM 0 HG23 THR A 116 -13.728 -2.076 -11.351 1.00 0.00 H new ATOM 1803 N PHE A 117 -13.404 -4.453 -8.920 1.00 0.00 N ATOM 1804 CA PHE A 117 -12.310 -4.618 -8.005 1.00 0.00 C ATOM 1805 C PHE A 117 -11.157 -3.850 -8.615 1.00 0.00 C ATOM 1806 O PHE A 117 -10.583 -4.303 -9.595 1.00 0.00 O ATOM 1807 CB PHE A 117 -12.058 -6.115 -7.794 1.00 0.00 C ATOM 1808 CG PHE A 117 -12.242 -6.490 -6.341 1.00 0.00 C ATOM 1809 CD1 PHE A 117 -13.509 -6.890 -5.877 1.00 0.00 C ATOM 1810 CD2 PHE A 117 -11.178 -6.342 -5.434 1.00 0.00 C ATOM 1811 CE1 PHE A 117 -13.710 -7.143 -4.511 1.00 0.00 C ATOM 1812 CE2 PHE A 117 -11.380 -6.592 -4.066 1.00 0.00 C ATOM 1813 CZ PHE A 117 -12.650 -6.987 -3.605 1.00 0.00 C ATOM 0 H PHE A 117 -13.220 -4.881 -9.827 1.00 0.00 H new ATOM 0 HA PHE A 117 -12.492 -4.225 -7.005 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.742 -6.695 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.047 -6.367 -8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -14.327 -7.002 -6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.205 -6.036 -5.789 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -14.681 -7.458 -4.157 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -10.562 -6.481 -3.369 1.00 0.00 H new ATOM 0 HZ PHE A 117 -12.809 -7.170 -2.553 1.00 0.00 H new ATOM 1823 N VAL A 118 -10.864 -2.655 -8.109 1.00 0.00 N ATOM 1824 CA VAL A 118 -9.693 -1.922 -8.566 1.00 0.00 C ATOM 1825 C VAL A 118 -8.490 -2.745 -8.210 1.00 0.00 C ATOM 1826 O VAL A 118 -8.320 -3.115 -7.051 1.00 0.00 O ATOM 1827 CB VAL A 118 -9.592 -0.522 -7.940 1.00 0.00 C ATOM 1828 CG1 VAL A 118 -9.862 -0.436 -6.449 1.00 0.00 C ATOM 1829 CG2 VAL A 118 -8.410 0.285 -8.488 1.00 0.00 C ATOM 0 H VAL A 118 -11.414 -2.181 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.763 -1.763 -9.642 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.466 0.021 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -9.762 0.598 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -10.873 -0.787 -6.242 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -9.145 -1.058 -5.913 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -8.387 1.265 -8.012 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.480 -0.243 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.522 0.408 -9.565 1.00 0.00 H new ATOM 1839 N TYR A 119 -7.650 -2.988 -9.199 1.00 0.00 N ATOM 1840 CA TYR A 119 -6.330 -3.515 -8.995 1.00 0.00 C ATOM 1841 C TYR A 119 -5.429 -2.301 -8.929 1.00 0.00 C ATOM 1842 O TYR A 119 -5.494 -1.416 -9.790 1.00 0.00 O ATOM 1843 CB TYR A 119 -5.988 -4.456 -10.154 1.00 0.00 C ATOM 1844 CG TYR A 119 -7.116 -5.411 -10.495 1.00 0.00 C ATOM 1845 CD1 TYR A 119 -7.273 -6.596 -9.754 1.00 0.00 C ATOM 1846 CD2 TYR A 119 -8.089 -5.038 -11.445 1.00 0.00 C ATOM 1847 CE1 TYR A 119 -8.383 -7.425 -9.988 1.00 0.00 C ATOM 1848 CE2 TYR A 119 -9.164 -5.897 -11.726 1.00 0.00 C ATOM 1849 CZ TYR A 119 -9.316 -7.098 -11.001 1.00 0.00 C ATOM 1850 OH TYR A 119 -10.395 -7.901 -11.231 1.00 0.00 O ATOM 0 H TYR A 119 -7.877 -2.819 -10.179 1.00 0.00 H new ATOM 0 HA TYR A 119 -6.223 -4.105 -8.085 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -5.742 -3.864 -11.035 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.098 -5.031 -9.898 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -6.542 -6.868 -9.007 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -8.007 -4.091 -11.957 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -8.525 -8.315 -9.393 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -9.874 -5.638 -12.497 1.00 0.00 H new ATOM 0 HH TYR A 119 -10.932 -7.527 -11.960 1.00 0.00 H new ATOM 1860 N SER A 120 -4.623 -2.215 -7.880 1.00 0.00 N ATOM 1861 CA SER A 120 -3.499 -1.307 -7.886 1.00 0.00 C ATOM 1862 C SER A 120 -2.520 -1.771 -8.977 1.00 0.00 C ATOM 1863 O SER A 120 -2.676 -2.862 -9.541 1.00 0.00 O ATOM 1864 CB SER A 120 -2.885 -1.334 -6.482 1.00 0.00 C ATOM 1865 OG SER A 120 -1.813 -2.228 -6.224 1.00 0.00 O ATOM 0 H SER A 120 -4.730 -2.760 -7.024 1.00 0.00 H new ATOM 0 HA SER A 120 -3.780 -0.279 -8.114 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.537 -0.326 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.684 -1.563 -5.776 1.00 0.00 H new ATOM 0 HG SER A 120 -1.235 -2.283 -7.014 1.00 0.00 H new ATOM 1871 N GLN A 121 -1.436 -1.024 -9.180 1.00 0.00 N ATOM 1872 CA GLN A 121 -0.308 -1.507 -9.969 1.00 0.00 C ATOM 1873 C GLN A 121 0.338 -2.730 -9.292 1.00 0.00 C ATOM 1874 O GLN A 121 -0.055 -3.123 -8.189 1.00 0.00 O ATOM 1875 CB GLN A 121 0.711 -0.372 -10.175 1.00 0.00 C ATOM 1876 CG GLN A 121 1.471 0.022 -8.901 1.00 0.00 C ATOM 1877 CD GLN A 121 0.961 1.304 -8.270 1.00 0.00 C ATOM 1878 OE1 GLN A 121 -0.005 1.304 -7.505 1.00 0.00 O ATOM 1879 NE2 GLN A 121 1.621 2.414 -8.553 1.00 0.00 N ATOM 0 H GLN A 121 -1.317 -0.082 -8.808 1.00 0.00 H new ATOM 0 HA GLN A 121 -0.665 -1.824 -10.949 1.00 0.00 H new ATOM 0 HB2 GLN A 121 1.430 -0.677 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.190 0.504 -10.561 1.00 0.00 H new ATOM 0 HG2 GLN A 121 1.394 -0.788 -8.175 1.00 0.00 H new ATOM 0 HG3 GLN A 121 2.529 0.138 -9.138 1.00 0.00 H new ATOM 0 HE21 GLN A 121 2.417 2.386 -9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.334 3.299 -8.135 1.00 0.00 H new ATOM 1888 N LYS A 122 1.415 -3.238 -9.882 1.00 0.00 N ATOM 1889 CA LYS A 122 2.431 -4.044 -9.212 1.00 0.00 C ATOM 1890 C LYS A 122 3.623 -3.128 -8.907 1.00 0.00 C ATOM 1891 O LYS A 122 3.929 -2.272 -9.738 1.00 0.00 O ATOM 1892 CB LYS A 122 2.765 -5.220 -10.151 1.00 0.00 C ATOM 1893 CG LYS A 122 3.968 -6.046 -9.687 1.00 0.00 C ATOM 1894 CD LYS A 122 5.304 -5.648 -10.340 1.00 0.00 C ATOM 1895 CE LYS A 122 5.787 -6.585 -11.455 1.00 0.00 C ATOM 1896 NZ LYS A 122 4.821 -6.778 -12.556 1.00 0.00 N ATOM 0 H LYS A 122 1.612 -3.096 -10.873 1.00 0.00 H new ATOM 0 HA LYS A 122 2.105 -4.467 -8.261 1.00 0.00 H new ATOM 0 HB2 LYS A 122 1.895 -5.872 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 122 2.963 -4.832 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.064 -5.950 -8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.774 -7.098 -9.898 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.206 -4.642 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.070 -5.604 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.715 -6.189 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.021 -7.557 -11.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.226 -7.423 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.942 -7.186 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.614 -5.861 -13.001 1.00 0.00 H new ATOM 1910 N ILE A 123 4.294 -3.314 -7.765 1.00 0.00 N ATOM 1911 CA ILE A 123 5.549 -2.657 -7.403 1.00 0.00 C ATOM 1912 C ILE A 123 6.517 -3.765 -7.011 1.00 0.00 C ATOM 1913 O ILE A 123 6.405 -4.322 -5.916 1.00 0.00 O ATOM 1914 CB ILE A 123 5.368 -1.586 -6.287 1.00 0.00 C ATOM 1915 CG1 ILE A 123 4.336 -0.475 -6.581 1.00 0.00 C ATOM 1916 CG2 ILE A 123 6.700 -0.896 -5.928 1.00 0.00 C ATOM 1917 CD1 ILE A 123 4.776 0.576 -7.601 1.00 0.00 C ATOM 0 H ILE A 123 3.962 -3.952 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 123 5.942 -2.089 -8.246 1.00 0.00 H new ATOM 0 HB ILE A 123 4.984 -2.177 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.418 -0.941 -6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.095 0.030 -5.646 1.00 0.00 H new ATOM 0 HG21 ILE A 123 6.528 -0.157 -5.146 1.00 0.00 H new ATOM 0 HG22 ILE A 123 7.412 -1.641 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.104 -0.402 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.980 1.309 -7.735 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.675 1.078 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.987 0.092 -8.554 1.00 0.00 H new ATOM 1929 N ASP A 124 7.391 -4.138 -7.948 1.00 0.00 N ATOM 1930 CA ASP A 124 8.462 -5.127 -7.766 1.00 0.00 C ATOM 1931 C ASP A 124 9.518 -4.535 -6.839 1.00 0.00 C ATOM 1932 O ASP A 124 9.786 -3.340 -6.943 1.00 0.00 O ATOM 1933 CB ASP A 124 9.094 -5.478 -9.128 1.00 0.00 C ATOM 1934 CG ASP A 124 9.112 -6.980 -9.400 1.00 0.00 C ATOM 1935 OD1 ASP A 124 9.840 -7.714 -8.692 1.00 0.00 O ATOM 1936 OD2 ASP A 124 8.411 -7.400 -10.347 1.00 0.00 O ATOM 0 H ASP A 124 7.374 -3.747 -8.890 1.00 0.00 H new ATOM 0 HA ASP A 124 8.054 -6.039 -7.330 1.00 0.00 H new ATOM 0 HB2 ASP A 124 8.540 -4.976 -9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 124 10.114 -5.095 -9.160 1.00 0.00 H new ATOM 1941 N PHE A 125 10.120 -5.315 -5.943 1.00 0.00 N ATOM 1942 CA PHE A 125 11.115 -4.848 -4.986 1.00 0.00 C ATOM 1943 C PHE A 125 12.216 -5.899 -4.780 1.00 0.00 C ATOM 1944 O PHE A 125 12.108 -7.026 -5.268 1.00 0.00 O ATOM 1945 CB PHE A 125 10.410 -4.452 -3.668 1.00 0.00 C ATOM 1946 CG PHE A 125 9.704 -5.553 -2.892 1.00 0.00 C ATOM 1947 CD1 PHE A 125 10.462 -6.394 -2.062 1.00 0.00 C ATOM 1948 CD2 PHE A 125 8.298 -5.694 -2.919 1.00 0.00 C ATOM 1949 CE1 PHE A 125 9.841 -7.381 -1.291 1.00 0.00 C ATOM 1950 CE2 PHE A 125 7.675 -6.693 -2.146 1.00 0.00 C ATOM 1951 CZ PHE A 125 8.447 -7.541 -1.332 1.00 0.00 C ATOM 0 H PHE A 125 9.923 -6.313 -5.862 1.00 0.00 H new ATOM 0 HA PHE A 125 11.615 -3.961 -5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 125 11.154 -4.001 -3.011 1.00 0.00 H new ATOM 0 HB3 PHE A 125 9.677 -3.679 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 125 11.535 -6.277 -2.019 1.00 0.00 H new ATOM 0 HD2 PHE A 125 7.701 -5.035 -3.533 1.00 0.00 H new ATOM 0 HE1 PHE A 125 10.437 -8.024 -0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 125 6.602 -6.808 -2.178 1.00 0.00 H new ATOM 0 HZ PHE A 125 7.971 -8.310 -0.742 1.00 0.00 H new ATOM 1961 N GLU A 126 13.285 -5.543 -4.064 1.00 0.00 N ATOM 1962 CA GLU A 126 14.402 -6.423 -3.735 1.00 0.00 C ATOM 1963 C GLU A 126 14.372 -6.706 -2.227 1.00 0.00 C ATOM 1964 O GLU A 126 13.865 -5.877 -1.464 1.00 0.00 O ATOM 1965 CB GLU A 126 15.656 -5.771 -4.297 1.00 0.00 C ATOM 1966 CG GLU A 126 15.953 -6.117 -5.759 1.00 0.00 C ATOM 1967 CD GLU A 126 16.860 -7.324 -5.977 1.00 0.00 C ATOM 1968 OE1 GLU A 126 17.498 -7.827 -5.025 1.00 0.00 O ATOM 1969 OE2 GLU A 126 17.053 -7.638 -7.175 1.00 0.00 O ATOM 0 H GLU A 126 13.398 -4.602 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 126 14.356 -7.413 -4.188 1.00 0.00 H new ATOM 0 HB2 GLU A 126 15.559 -4.689 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 126 16.509 -6.068 -3.686 1.00 0.00 H new ATOM 0 HG2 GLU A 126 15.008 -6.298 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 126 16.412 -5.249 -6.234 1.00 0.00 H new ATOM 1976 N ARG A 127 14.855 -7.886 -1.812 1.00 0.00 N ATOM 1977 CA ARG A 127 14.773 -8.442 -0.459 1.00 0.00 C ATOM 1978 C ARG A 127 16.160 -8.453 0.184 1.00 0.00 C ATOM 1979 O ARG A 127 16.826 -9.487 0.174 1.00 0.00 O ATOM 1980 CB ARG A 127 14.232 -9.883 -0.531 1.00 0.00 C ATOM 1981 CG ARG A 127 12.737 -10.036 -0.797 1.00 0.00 C ATOM 1982 CD ARG A 127 11.893 -9.801 0.454 1.00 0.00 C ATOM 1983 NE ARG A 127 12.103 -10.812 1.502 1.00 0.00 N ATOM 1984 CZ ARG A 127 11.570 -12.040 1.547 1.00 0.00 C ATOM 1985 NH1 ARG A 127 10.685 -12.437 0.635 1.00 0.00 N ATOM 1986 NH2 ARG A 127 11.942 -12.872 2.507 1.00 0.00 N ATOM 0 H ARG A 127 15.342 -8.513 -2.452 1.00 0.00 H new ATOM 0 HA ARG A 127 14.104 -7.826 0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 127 14.774 -10.412 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 127 14.464 -10.382 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 127 12.435 -9.332 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 127 12.540 -11.037 -1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 127 12.124 -8.816 0.859 1.00 0.00 H new ATOM 0 HD3 ARG A 127 10.839 -9.792 0.175 1.00 0.00 H new ATOM 0 HE ARG A 127 12.717 -10.551 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 127 10.403 -11.803 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.289 -13.376 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 127 12.627 -12.575 3.202 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.543 -13.810 2.552 1.00 0.00 H new ATOM 2000 N GLU A 128 16.553 -7.332 0.780 1.00 0.00 N ATOM 2001 CA GLU A 128 17.892 -7.026 1.308 1.00 0.00 C ATOM 2002 C GLU A 128 18.993 -7.114 0.248 1.00 0.00 C ATOM 2003 O GLU A 128 19.966 -6.343 0.396 1.00 0.00 O ATOM 2004 CB GLU A 128 18.210 -7.813 2.600 1.00 0.00 C ATOM 2005 CG GLU A 128 17.278 -7.380 3.740 1.00 0.00 C ATOM 2006 CD GLU A 128 17.241 -8.274 4.981 1.00 0.00 C ATOM 2007 OE1 GLU A 128 18.227 -8.302 5.753 1.00 0.00 O ATOM 2008 OE2 GLU A 128 16.141 -8.805 5.268 1.00 0.00 O ATOM 0 H GLU A 128 15.906 -6.556 0.920 1.00 0.00 H new ATOM 0 HA GLU A 128 17.872 -5.976 1.600 1.00 0.00 H new ATOM 0 HB2 GLU A 128 18.098 -8.882 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 128 19.248 -7.646 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 128 17.568 -6.377 4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 128 16.266 -7.310 3.342 1.00 0.00 H new TER 2015 GLU A 128