USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1100 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 96 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 119 TYR OH : rot -137:sc= 0.876 USER MOD Set 2.1: A 116 LYS NZ :NH3+ 179:sc= 0.786 (180deg=-0.0685) USER MOD Set 2.2: A 131 SER OG : rot 15:sc= 2.02 USER MOD Set 3.1: A 40 TYR OH : rot 30:sc= 0.198 USER MOD Set 3.2: A 110 THR OG1 : rot 68:sc= 0.4 USER MOD Set 4.1: A 99 ASN : amide:sc= 0.495 K(o=0.98,f=-0.64) USER MOD Set 4.2: A 102 LYS NZ :NH3+ -164:sc= 0.482 (180deg=0) USER MOD Set 5.1: A 46 THR OG1 : rot 180:sc= 0.00386 USER MOD Set 5.2: A 48 ASN : amide:sc= 0.129 K(o=1.2,f=-13!) USER MOD Set 5.3: A 62 LYS NZ :NH3+ -162:sc= 1.08 (180deg=-0.386) USER MOD Set 6.1: A 38 SER OG : rot -91:sc= 1.37 USER MOD Set 6.2: A 39 HIS : no HD1:sc= 1.04 K(o=2.4,f=-5.3!) USER MOD Single : A 8 GLN : amide:sc= -1.07 K(o=-1.1,f=-6!) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 1.43 (180deg=1.32) USER MOD Single : A 14 GLN : amide:sc= -0.219 K(o=-0.22,f=-0.82) USER MOD Single : A 18 LYS NZ :NH3+ -151:sc= 1.15 (180deg=0.739) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.893 K(o=-0.89,f=-3.1!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 100:sc= 1.2 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.687 K(o=0.69,f=-2.4!) USER MOD Single : A 36 ASN : amide:sc= -0.803 K(o=-0.8,f=-2.7) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.031) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.44) USER MOD Single : A 57 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -1.6 X(o=-1.6,f=-1.1) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -114:sc= 0.00477 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 81 THR OG1 : rot 76:sc= 1.15 USER MOD Single : A 82 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 1.14 (180deg=1.02) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 94 GLN : amide:sc= 0.193 K(o=0.19,f=-7.4!) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 113 HIS : no HE2:sc= -0.195 K(o=-0.2,f=-5.2!) USER MOD Single : A 115 GLN : amide:sc= -0.911 K(o=-0.91,f=-3.3!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 130:sc= 0.479 USER MOD Single : A 124 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.59) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 160:sc= -0.537 USER MOD Single : A 133 GLN : amide:sc= -0.0418 X(o=-0.042,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.050 14.538 -15.886 1.00 0.00 N ATOM 2 CA ASP A 7 -6.172 13.777 -15.341 1.00 0.00 C ATOM 3 C ASP A 7 -5.905 13.414 -13.883 1.00 0.00 C ATOM 4 O ASP A 7 -4.752 13.369 -13.455 1.00 0.00 O ATOM 5 CB ASP A 7 -6.415 12.508 -16.165 1.00 0.00 C ATOM 6 CG ASP A 7 -7.654 11.755 -15.723 1.00 0.00 C ATOM 7 OD1 ASP A 7 -8.763 12.127 -16.152 1.00 0.00 O ATOM 8 OD2 ASP A 7 -7.528 10.803 -14.927 1.00 0.00 O ATOM 0 HA ASP A 7 -7.066 14.398 -15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.513 12.775 -17.217 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.547 11.853 -16.082 1.00 0.00 H new ATOM 13 N GLN A 8 -6.972 13.153 -13.132 1.00 0.00 N ATOM 14 CA GLN A 8 -6.876 12.836 -11.706 1.00 0.00 C ATOM 15 C GLN A 8 -5.951 11.641 -11.452 1.00 0.00 C ATOM 16 O GLN A 8 -5.319 11.552 -10.396 1.00 0.00 O ATOM 17 CB GLN A 8 -8.271 12.553 -11.145 1.00 0.00 C ATOM 18 CG GLN A 8 -8.304 12.338 -9.639 1.00 0.00 C ATOM 19 CD GLN A 8 -8.003 13.595 -8.842 1.00 0.00 C ATOM 20 OE1 GLN A 8 -7.240 14.460 -9.267 1.00 0.00 O ATOM 21 NE2 GLN A 8 -8.616 13.705 -7.675 1.00 0.00 N ATOM 0 H GLN A 8 -7.926 13.155 -13.492 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.445 13.698 -11.197 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.928 13.386 -11.397 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.676 11.668 -11.636 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.287 11.964 -9.355 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.581 11.567 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.242 12.966 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.462 14.529 -7.094 1.00 0.00 H new ATOM 30 N VAL A 9 -5.869 10.734 -12.424 1.00 0.00 N ATOM 31 CA VAL A 9 -4.967 9.588 -12.335 1.00 0.00 C ATOM 32 C VAL A 9 -3.524 10.052 -12.116 1.00 0.00 C ATOM 33 O VAL A 9 -2.763 9.436 -11.367 1.00 0.00 O ATOM 34 CB VAL A 9 -5.047 8.709 -13.609 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.005 7.598 -13.586 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.440 8.117 -13.763 1.00 0.00 C ATOM 0 H VAL A 9 -6.417 10.771 -13.283 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.282 8.988 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.838 9.350 -14.465 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.089 7.001 -14.494 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.008 8.035 -13.531 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.171 6.962 -12.717 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.477 7.503 -14.663 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.672 7.501 -12.894 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.171 8.922 -13.843 1.00 0.00 H new ATOM 46 N VAL A 10 -3.169 11.161 -12.752 1.00 0.00 N ATOM 47 CA VAL A 10 -1.833 11.722 -12.631 1.00 0.00 C ATOM 48 C VAL A 10 -1.587 12.217 -11.208 1.00 0.00 C ATOM 49 O VAL A 10 -0.556 11.910 -10.610 1.00 0.00 O ATOM 50 CB VAL A 10 -1.616 12.887 -13.622 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.208 13.458 -13.493 1.00 0.00 C ATOM 52 CG2 VAL A 10 -1.881 12.430 -15.050 1.00 0.00 C ATOM 0 H VAL A 10 -3.793 11.691 -13.360 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.125 10.928 -12.869 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.324 13.678 -13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.081 14.277 -14.201 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.057 13.829 -12.479 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.522 12.677 -13.706 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.723 13.264 -15.734 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.200 11.618 -15.304 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.910 12.081 -15.135 1.00 0.00 H new ATOM 62 N ILE A 11 -2.552 12.961 -10.671 1.00 0.00 N ATOM 63 CA ILE A 11 -2.442 13.531 -9.329 1.00 0.00 C ATOM 64 C ILE A 11 -2.209 12.437 -8.292 1.00 0.00 C ATOM 65 O ILE A 11 -1.266 12.513 -7.504 1.00 0.00 O ATOM 66 CB ILE A 11 -3.701 14.354 -8.932 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.787 15.658 -9.735 1.00 0.00 C ATOM 68 CG2 ILE A 11 -3.704 14.662 -7.439 1.00 0.00 C ATOM 69 CD1 ILE A 11 -4.281 15.485 -11.155 1.00 0.00 C ATOM 0 H ILE A 11 -3.425 13.185 -11.149 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.587 14.207 -9.349 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.575 13.746 -9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.450 16.349 -9.214 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.801 16.121 -9.760 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.595 15.238 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.704 13.729 -6.875 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.815 15.239 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.311 16.455 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.606 14.822 -11.697 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.282 15.053 -11.142 1.00 0.00 H new ATOM 81 N PHE A 12 -3.054 11.413 -8.310 1.00 0.00 N ATOM 82 CA PHE A 12 -2.933 10.321 -7.352 1.00 0.00 C ATOM 83 C PHE A 12 -1.620 9.570 -7.529 1.00 0.00 C ATOM 84 O PHE A 12 -0.986 9.183 -6.546 1.00 0.00 O ATOM 85 CB PHE A 12 -4.120 9.365 -7.452 1.00 0.00 C ATOM 86 CG PHE A 12 -5.315 9.815 -6.665 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.341 9.667 -5.286 1.00 0.00 C ATOM 88 CD2 PHE A 12 -6.412 10.375 -7.295 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.439 10.071 -4.552 1.00 0.00 C ATOM 90 CE2 PHE A 12 -7.512 10.783 -6.565 1.00 0.00 C ATOM 91 CZ PHE A 12 -7.526 10.628 -5.193 1.00 0.00 C ATOM 0 H PHE A 12 -3.824 11.316 -8.972 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.935 10.761 -6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.403 9.257 -8.499 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.814 8.379 -7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.492 9.231 -4.780 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.409 10.495 -8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.446 9.951 -3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.361 11.223 -7.067 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.387 10.943 -4.622 1.00 0.00 H new ATOM 101 N LYS A 13 -1.202 9.376 -8.776 1.00 0.00 N ATOM 102 CA LYS A 13 0.082 8.743 -9.039 1.00 0.00 C ATOM 103 C LYS A 13 1.211 9.558 -8.421 1.00 0.00 C ATOM 104 O LYS A 13 2.082 9.007 -7.759 1.00 0.00 O ATOM 105 CB LYS A 13 0.325 8.553 -10.542 1.00 0.00 C ATOM 106 CG LYS A 13 1.806 8.493 -10.918 1.00 0.00 C ATOM 107 CD LYS A 13 2.031 7.799 -12.250 1.00 0.00 C ATOM 108 CE LYS A 13 2.326 6.320 -12.056 1.00 0.00 C ATOM 109 NZ LYS A 13 3.699 6.081 -11.523 1.00 0.00 N ATOM 0 H LYS A 13 -1.727 9.644 -9.609 1.00 0.00 H new ATOM 0 HA LYS A 13 0.062 7.755 -8.580 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.162 7.634 -10.867 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.146 9.372 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.209 9.505 -10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.356 7.967 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.148 7.917 -12.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.861 8.272 -12.774 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.593 5.893 -11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.213 5.801 -13.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.903 5.061 -11.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.393 6.580 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.759 6.435 -10.547 1.00 0.00 H new ATOM 123 N GLN A 14 1.172 10.873 -8.624 1.00 0.00 N ATOM 124 CA GLN A 14 2.198 11.768 -8.099 1.00 0.00 C ATOM 125 C GLN A 14 2.307 11.647 -6.581 1.00 0.00 C ATOM 126 O GLN A 14 3.400 11.731 -6.019 1.00 0.00 O ATOM 127 CB GLN A 14 1.894 13.217 -8.490 1.00 0.00 C ATOM 128 CG GLN A 14 1.965 13.472 -9.986 1.00 0.00 C ATOM 129 CD GLN A 14 3.288 13.055 -10.594 1.00 0.00 C ATOM 130 OE1 GLN A 14 4.335 13.107 -9.948 1.00 0.00 O ATOM 131 NE2 GLN A 14 3.247 12.633 -11.847 1.00 0.00 N ATOM 0 H GLN A 14 0.436 11.343 -9.151 1.00 0.00 H new ATOM 0 HA GLN A 14 3.153 11.476 -8.535 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.898 13.480 -8.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.599 13.876 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.158 12.931 -10.480 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.802 14.533 -10.177 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.358 12.605 -12.347 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.104 12.335 -12.313 1.00 0.00 H new ATOM 140 N ILE A 15 1.170 11.438 -5.933 1.00 0.00 N ATOM 141 CA ILE A 15 1.128 11.258 -4.487 1.00 0.00 C ATOM 142 C ILE A 15 1.934 10.025 -4.071 1.00 0.00 C ATOM 143 O ILE A 15 2.883 10.120 -3.286 1.00 0.00 O ATOM 144 CB ILE A 15 -0.326 11.111 -3.986 1.00 0.00 C ATOM 145 CG1 ILE A 15 -1.145 12.348 -4.361 1.00 0.00 C ATOM 146 CG2 ILE A 15 -0.352 10.894 -2.481 1.00 0.00 C ATOM 147 CD1 ILE A 15 -2.617 12.222 -4.028 1.00 0.00 C ATOM 0 H ILE A 15 0.259 11.389 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 15 1.569 12.146 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.771 10.240 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.736 13.215 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.037 12.535 -5.429 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.384 10.793 -2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.200 9.987 -2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.109 11.747 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.136 13.135 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.041 11.375 -4.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.735 12.066 -2.956 1.00 0.00 H new ATOM 159 N PHE A 16 1.570 8.876 -4.622 1.00 0.00 N ATOM 160 CA PHE A 16 2.229 7.622 -4.277 1.00 0.00 C ATOM 161 C PHE A 16 3.666 7.591 -4.788 1.00 0.00 C ATOM 162 O PHE A 16 4.558 7.061 -4.126 1.00 0.00 O ATOM 163 CB PHE A 16 1.451 6.430 -4.844 1.00 0.00 C ATOM 164 CG PHE A 16 0.139 6.174 -4.154 1.00 0.00 C ATOM 165 CD1 PHE A 16 -1.012 6.829 -4.555 1.00 0.00 C ATOM 166 CD2 PHE A 16 0.058 5.271 -3.103 1.00 0.00 C ATOM 167 CE1 PHE A 16 -2.220 6.593 -3.926 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.147 5.031 -2.470 1.00 0.00 C ATOM 169 CZ PHE A 16 -2.288 5.693 -2.882 1.00 0.00 C ATOM 0 H PHE A 16 0.822 8.785 -5.310 1.00 0.00 H new ATOM 0 HA PHE A 16 2.249 7.551 -3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.265 6.601 -5.904 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.070 5.536 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.966 7.535 -5.371 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.946 4.750 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.109 7.112 -4.251 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.197 4.326 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.230 5.507 -2.388 1.00 0.00 H new ATOM 179 N ASP A 17 3.890 8.184 -5.952 1.00 0.00 N ATOM 180 CA ASP A 17 5.198 8.146 -6.598 1.00 0.00 C ATOM 181 C ASP A 17 6.185 9.079 -5.901 1.00 0.00 C ATOM 182 O ASP A 17 7.394 8.985 -6.105 1.00 0.00 O ATOM 183 CB ASP A 17 5.075 8.516 -8.076 1.00 0.00 C ATOM 184 CG ASP A 17 5.944 7.652 -8.967 1.00 0.00 C ATOM 185 OD1 ASP A 17 5.487 6.561 -9.371 1.00 0.00 O ATOM 186 OD2 ASP A 17 7.084 8.053 -9.271 1.00 0.00 O ATOM 0 H ASP A 17 3.180 8.700 -6.472 1.00 0.00 H new ATOM 0 HA ASP A 17 5.580 7.128 -6.520 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.034 8.419 -8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.351 9.562 -8.209 1.00 0.00 H new ATOM 191 N LYS A 18 5.668 9.979 -5.077 1.00 0.00 N ATOM 192 CA LYS A 18 6.516 10.880 -4.307 1.00 0.00 C ATOM 193 C LYS A 18 6.927 10.218 -2.987 1.00 0.00 C ATOM 194 O LYS A 18 8.111 10.158 -2.650 1.00 0.00 O ATOM 195 CB LYS A 18 5.770 12.202 -4.051 1.00 0.00 C ATOM 196 CG LYS A 18 6.663 13.382 -3.673 1.00 0.00 C ATOM 197 CD LYS A 18 7.113 13.322 -2.222 1.00 0.00 C ATOM 198 CE LYS A 18 7.900 14.563 -1.826 1.00 0.00 C ATOM 199 NZ LYS A 18 9.157 14.710 -2.607 1.00 0.00 N ATOM 0 H LYS A 18 4.667 10.105 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 18 7.422 11.097 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.207 12.464 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.044 12.044 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.538 13.395 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.124 14.313 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.242 13.221 -1.575 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.729 12.436 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.279 15.446 -1.973 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.139 14.515 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.865 15.213 -2.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.521 13.769 -2.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.966 15.251 -3.474 1.00 0.00 H new ATOM 213 N VAL A 19 5.944 9.687 -2.263 1.00 0.00 N ATOM 214 CA VAL A 19 6.179 9.142 -0.925 1.00 0.00 C ATOM 215 C VAL A 19 6.958 7.819 -0.964 1.00 0.00 C ATOM 216 O VAL A 19 7.636 7.466 0.002 1.00 0.00 O ATOM 217 CB VAL A 19 4.847 8.944 -0.161 1.00 0.00 C ATOM 218 CG1 VAL A 19 3.987 7.877 -0.818 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.101 8.607 1.300 1.00 0.00 C ATOM 0 H VAL A 19 4.976 9.622 -2.579 1.00 0.00 H new ATOM 0 HA VAL A 19 6.789 9.874 -0.396 1.00 0.00 H new ATOM 0 HB VAL A 19 4.301 9.886 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.059 7.762 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.759 8.173 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.526 6.930 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.149 8.473 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.681 7.687 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.655 9.419 1.770 1.00 0.00 H new ATOM 229 N ARG A 20 6.881 7.108 -2.092 1.00 0.00 N ATOM 230 CA ARG A 20 7.545 5.808 -2.240 1.00 0.00 C ATOM 231 C ARG A 20 9.054 5.906 -2.023 1.00 0.00 C ATOM 232 O ARG A 20 9.701 4.921 -1.659 1.00 0.00 O ATOM 233 CB ARG A 20 7.262 5.213 -3.626 1.00 0.00 C ATOM 234 CG ARG A 20 7.606 6.148 -4.777 1.00 0.00 C ATOM 235 CD ARG A 20 7.267 5.537 -6.131 1.00 0.00 C ATOM 236 NE ARG A 20 8.272 4.575 -6.575 1.00 0.00 N ATOM 237 CZ ARG A 20 8.362 4.119 -7.823 1.00 0.00 C ATOM 238 NH1 ARG A 20 7.505 4.528 -8.757 1.00 0.00 N ATOM 239 NH2 ARG A 20 9.324 3.260 -8.137 1.00 0.00 N ATOM 0 H ARG A 20 6.365 7.410 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 20 7.136 5.153 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.830 4.290 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.207 4.947 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.063 7.086 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.669 6.388 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.297 5.043 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.176 6.331 -6.872 1.00 0.00 H new ATOM 0 HE ARG A 20 8.945 4.232 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.772 5.196 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.582 4.173 -9.710 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.987 2.954 -7.425 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.400 2.906 -9.090 1.00 0.00 H new ATOM 253 N ASN A 21 9.612 7.088 -2.249 1.00 0.00 N ATOM 254 CA ASN A 21 11.052 7.278 -2.121 1.00 0.00 C ATOM 255 C ASN A 21 11.397 8.164 -0.934 1.00 0.00 C ATOM 256 O ASN A 21 12.295 7.846 -0.153 1.00 0.00 O ATOM 257 CB ASN A 21 11.631 7.884 -3.403 1.00 0.00 C ATOM 258 CG ASN A 21 13.140 8.050 -3.335 1.00 0.00 C ATOM 259 OD1 ASN A 21 13.890 7.112 -3.608 1.00 0.00 O ATOM 260 ND2 ASN A 21 13.599 9.242 -2.988 1.00 0.00 N ATOM 0 H ASN A 21 9.095 7.924 -2.520 1.00 0.00 H new ATOM 0 HA ASN A 21 11.495 6.296 -1.954 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.376 7.247 -4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.169 8.855 -3.584 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.604 9.407 -2.940 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.947 9.995 -2.769 1.00 0.00 H new ATOM 267 N ASP A 22 10.681 9.270 -0.795 1.00 0.00 N ATOM 268 CA ASP A 22 11.025 10.275 0.206 1.00 0.00 C ATOM 269 C ASP A 22 10.607 9.859 1.609 1.00 0.00 C ATOM 270 O ASP A 22 11.152 10.358 2.593 1.00 0.00 O ATOM 271 CB ASP A 22 10.401 11.619 -0.155 1.00 0.00 C ATOM 272 CG ASP A 22 11.082 12.256 -1.344 1.00 0.00 C ATOM 273 OD1 ASP A 22 12.280 12.585 -1.242 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.424 12.435 -2.388 1.00 0.00 O ATOM 0 H ASP A 22 9.861 9.496 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 22 12.111 10.370 0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.342 11.480 -0.374 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.464 12.290 0.702 1.00 0.00 H new ATOM 279 N LEU A 23 9.632 8.955 1.693 1.00 0.00 N ATOM 280 CA LEU A 23 9.172 8.411 2.974 1.00 0.00 C ATOM 281 C LEU A 23 8.579 9.496 3.875 1.00 0.00 C ATOM 282 O LEU A 23 8.417 9.294 5.077 1.00 0.00 O ATOM 283 CB LEU A 23 10.323 7.704 3.701 1.00 0.00 C ATOM 284 CG LEU A 23 10.920 6.500 2.968 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.104 5.940 3.738 1.00 0.00 C ATOM 286 CD2 LEU A 23 9.865 5.425 2.769 1.00 0.00 C ATOM 0 H LEU A 23 9.140 8.580 0.882 1.00 0.00 H new ATOM 0 HA LEU A 23 8.385 7.690 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.117 8.429 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.966 7.374 4.677 1.00 0.00 H new ATOM 0 HG LEU A 23 11.269 6.831 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.515 5.085 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.870 6.709 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.777 5.624 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.305 4.576 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.490 5.099 3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.042 5.828 2.178 1.00 0.00 H new ATOM 298 N ASN A 24 8.236 10.635 3.289 1.00 0.00 N ATOM 299 CA ASN A 24 7.638 11.733 4.040 1.00 0.00 C ATOM 300 C ASN A 24 6.149 11.477 4.253 1.00 0.00 C ATOM 301 O ASN A 24 5.297 12.070 3.594 1.00 0.00 O ATOM 302 CB ASN A 24 7.877 13.088 3.343 1.00 0.00 C ATOM 303 CG ASN A 24 7.426 13.123 1.885 1.00 0.00 C ATOM 304 OD1 ASN A 24 7.483 12.121 1.170 1.00 0.00 O ATOM 305 ND2 ASN A 24 6.970 14.283 1.431 1.00 0.00 N ATOM 0 H ASN A 24 8.361 10.824 2.295 1.00 0.00 H new ATOM 0 HA ASN A 24 8.122 11.783 5.015 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.350 13.867 3.895 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.939 13.327 3.390 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.654 14.364 0.465 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.936 15.094 2.048 1.00 0.00 H new ATOM 312 N TYR A 25 5.845 10.576 5.177 1.00 0.00 N ATOM 313 CA TYR A 25 4.471 10.153 5.427 1.00 0.00 C ATOM 314 C TYR A 25 3.583 11.326 5.830 1.00 0.00 C ATOM 315 O TYR A 25 2.383 11.327 5.551 1.00 0.00 O ATOM 316 CB TYR A 25 4.441 9.071 6.509 1.00 0.00 C ATOM 317 CG TYR A 25 5.138 7.791 6.107 1.00 0.00 C ATOM 318 CD1 TYR A 25 4.637 6.998 5.082 1.00 0.00 C ATOM 319 CD2 TYR A 25 6.296 7.376 6.752 1.00 0.00 C ATOM 320 CE1 TYR A 25 5.272 5.829 4.709 1.00 0.00 C ATOM 321 CE2 TYR A 25 6.937 6.209 6.384 1.00 0.00 C ATOM 322 CZ TYR A 25 6.420 5.438 5.365 1.00 0.00 C ATOM 323 OH TYR A 25 7.057 4.274 4.998 1.00 0.00 O ATOM 0 H TYR A 25 6.537 10.120 5.771 1.00 0.00 H new ATOM 0 HA TYR A 25 4.076 9.744 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.909 9.461 7.413 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.404 8.847 6.758 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.736 7.300 4.568 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.702 7.975 7.554 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.871 5.225 3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.839 5.902 6.892 1.00 0.00 H new ATOM 0 HH TYR A 25 7.850 4.145 5.558 1.00 0.00 H new ATOM 333 N GLN A 26 4.184 12.326 6.467 1.00 0.00 N ATOM 334 CA GLN A 26 3.463 13.521 6.895 1.00 0.00 C ATOM 335 C GLN A 26 2.773 14.198 5.713 1.00 0.00 C ATOM 336 O GLN A 26 1.704 14.789 5.861 1.00 0.00 O ATOM 337 CB GLN A 26 4.407 14.521 7.583 1.00 0.00 C ATOM 338 CG GLN A 26 5.086 13.987 8.840 1.00 0.00 C ATOM 339 CD GLN A 26 6.291 13.117 8.535 1.00 0.00 C ATOM 340 OE1 GLN A 26 6.171 11.906 8.354 1.00 0.00 O ATOM 341 NE2 GLN A 26 7.460 13.733 8.468 1.00 0.00 N ATOM 0 H GLN A 26 5.177 12.332 6.700 1.00 0.00 H new ATOM 0 HA GLN A 26 2.705 13.203 7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.175 14.825 6.872 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.841 15.416 7.843 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.398 14.826 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.365 13.410 9.419 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.516 14.739 8.625 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.305 13.202 8.260 1.00 0.00 H new ATOM 350 N TRP A 27 3.381 14.098 4.537 1.00 0.00 N ATOM 351 CA TRP A 27 2.817 14.704 3.341 1.00 0.00 C ATOM 352 C TRP A 27 1.691 13.825 2.792 1.00 0.00 C ATOM 353 O TRP A 27 0.628 14.310 2.407 1.00 0.00 O ATOM 354 CB TRP A 27 3.918 14.902 2.274 1.00 0.00 C ATOM 355 CG TRP A 27 3.798 13.979 1.089 1.00 0.00 C ATOM 356 CD1 TRP A 27 4.263 12.700 0.975 1.00 0.00 C ATOM 357 CD2 TRP A 27 3.155 14.273 -0.147 1.00 0.00 C ATOM 358 NE1 TRP A 27 3.911 12.183 -0.246 1.00 0.00 N ATOM 359 CE2 TRP A 27 3.246 13.129 -0.955 1.00 0.00 C ATOM 360 CE3 TRP A 27 2.511 15.390 -0.645 1.00 0.00 C ATOM 361 CZ2 TRP A 27 2.712 13.073 -2.231 1.00 0.00 C ATOM 362 CZ3 TRP A 27 1.976 15.331 -1.911 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.076 14.182 -2.693 1.00 0.00 C ATOM 0 H TRP A 27 4.261 13.605 4.388 1.00 0.00 H new ATOM 0 HA TRP A 27 2.405 15.680 3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 27 3.887 15.933 1.922 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.892 14.753 2.740 1.00 0.00 H new ATOM 0 HD1 TRP A 27 4.824 12.174 1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 27 4.117 11.238 -0.569 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.430 16.290 -0.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.797 12.183 -2.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.466 16.196 -2.308 1.00 0.00 H new ATOM 0 HH2 TRP A 27 1.641 14.172 -3.682 1.00 0.00 H new ATOM 374 N PHE A 28 1.931 12.526 2.815 1.00 0.00 N ATOM 375 CA PHE A 28 1.104 11.571 2.097 1.00 0.00 C ATOM 376 C PHE A 28 -0.199 11.298 2.843 1.00 0.00 C ATOM 377 O PHE A 28 -1.258 11.192 2.232 1.00 0.00 O ATOM 378 CB PHE A 28 1.907 10.278 1.906 1.00 0.00 C ATOM 379 CG PHE A 28 1.117 9.094 1.430 1.00 0.00 C ATOM 380 CD1 PHE A 28 0.592 9.056 0.151 1.00 0.00 C ATOM 381 CD2 PHE A 28 0.920 8.004 2.261 1.00 0.00 C ATOM 382 CE1 PHE A 28 -0.116 7.956 -0.291 1.00 0.00 C ATOM 383 CE2 PHE A 28 0.211 6.903 1.829 1.00 0.00 C ATOM 384 CZ PHE A 28 -0.309 6.879 0.550 1.00 0.00 C ATOM 0 H PHE A 28 2.703 12.103 3.331 1.00 0.00 H new ATOM 0 HA PHE A 28 0.834 11.984 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.708 10.470 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.380 10.021 2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.738 9.897 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.327 8.016 3.261 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.518 7.939 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.063 6.061 2.489 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.866 6.019 0.208 1.00 0.00 H new ATOM 394 N TYR A 29 -0.121 11.191 4.167 1.00 0.00 N ATOM 395 CA TYR A 29 -1.315 10.972 4.975 1.00 0.00 C ATOM 396 C TYR A 29 -2.201 12.211 4.963 1.00 0.00 C ATOM 397 O TYR A 29 -3.406 12.132 5.205 1.00 0.00 O ATOM 398 CB TYR A 29 -0.952 10.567 6.405 1.00 0.00 C ATOM 399 CG TYR A 29 -0.501 9.124 6.514 1.00 0.00 C ATOM 400 CD1 TYR A 29 -1.432 8.092 6.581 1.00 0.00 C ATOM 401 CD2 TYR A 29 0.846 8.791 6.538 1.00 0.00 C ATOM 402 CE1 TYR A 29 -1.029 6.772 6.670 1.00 0.00 C ATOM 403 CE2 TYR A 29 1.256 7.473 6.627 1.00 0.00 C ATOM 404 CZ TYR A 29 0.315 6.468 6.691 1.00 0.00 C ATOM 405 OH TYR A 29 0.720 5.153 6.773 1.00 0.00 O ATOM 0 H TYR A 29 0.748 11.252 4.698 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.875 10.147 4.535 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.159 11.219 6.771 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -1.816 10.722 7.051 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.486 8.326 6.563 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.587 9.575 6.486 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.764 5.983 6.723 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.309 7.232 6.646 1.00 0.00 H new ATOM 0 HH TYR A 29 1.699 5.112 6.776 1.00 0.00 H new ATOM 415 N SER A 30 -1.600 13.354 4.659 1.00 0.00 N ATOM 416 CA SER A 30 -2.360 14.568 4.438 1.00 0.00 C ATOM 417 C SER A 30 -3.099 14.460 3.108 1.00 0.00 C ATOM 418 O SER A 30 -4.300 14.719 3.037 1.00 0.00 O ATOM 419 CB SER A 30 -1.439 15.789 4.454 1.00 0.00 C ATOM 420 OG SER A 30 -0.766 15.899 5.702 1.00 0.00 O ATOM 0 H SER A 30 -0.590 13.462 4.561 1.00 0.00 H new ATOM 0 HA SER A 30 -3.087 14.693 5.241 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.709 15.710 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.021 16.692 4.269 1.00 0.00 H new ATOM 0 HG SER A 30 0.145 15.549 5.614 1.00 0.00 H new ATOM 426 N GLU A 31 -2.378 14.037 2.063 1.00 0.00 N ATOM 427 CA GLU A 31 -2.981 13.803 0.750 1.00 0.00 C ATOM 428 C GLU A 31 -4.143 12.824 0.858 1.00 0.00 C ATOM 429 O GLU A 31 -5.191 13.014 0.239 1.00 0.00 O ATOM 430 CB GLU A 31 -1.956 13.232 -0.237 1.00 0.00 C ATOM 431 CG GLU A 31 -0.797 14.160 -0.556 1.00 0.00 C ATOM 432 CD GLU A 31 -1.259 15.568 -0.893 1.00 0.00 C ATOM 433 OE1 GLU A 31 -2.128 15.725 -1.778 1.00 0.00 O ATOM 434 OE2 GLU A 31 -0.759 16.530 -0.272 1.00 0.00 O ATOM 0 H GLU A 31 -1.376 13.850 2.103 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.339 14.766 0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.558 12.303 0.171 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.468 12.979 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.119 14.197 0.297 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.231 13.755 -1.395 1.00 0.00 H new ATOM 441 N LEU A 32 -3.940 11.774 1.642 1.00 0.00 N ATOM 442 CA LEU A 32 -4.959 10.755 1.845 1.00 0.00 C ATOM 443 C LEU A 32 -6.242 11.361 2.391 1.00 0.00 C ATOM 444 O LEU A 32 -7.289 11.247 1.771 1.00 0.00 O ATOM 445 CB LEU A 32 -4.447 9.667 2.787 1.00 0.00 C ATOM 446 CG LEU A 32 -3.318 8.811 2.219 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.812 7.840 3.268 1.00 0.00 C ATOM 448 CD2 LEU A 32 -3.794 8.055 0.987 1.00 0.00 C ATOM 0 H LEU A 32 -3.072 11.606 2.151 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.181 10.307 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.101 10.136 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.279 9.016 3.054 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.498 9.468 1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.007 7.237 2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.438 8.396 4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.627 7.188 3.584 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.978 7.449 0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.628 7.408 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.117 8.766 0.226 1.00 0.00 H new ATOM 460 N LYS A 33 -6.149 12.033 3.531 1.00 0.00 N ATOM 461 CA LYS A 33 -7.325 12.626 4.162 1.00 0.00 C ATOM 462 C LYS A 33 -7.965 13.674 3.246 1.00 0.00 C ATOM 463 O LYS A 33 -9.177 13.895 3.283 1.00 0.00 O ATOM 464 CB LYS A 33 -6.939 13.256 5.506 1.00 0.00 C ATOM 465 CG LYS A 33 -8.125 13.777 6.308 1.00 0.00 C ATOM 466 CD LYS A 33 -7.676 14.401 7.620 1.00 0.00 C ATOM 467 CE LYS A 33 -8.853 14.915 8.436 1.00 0.00 C ATOM 468 NZ LYS A 33 -8.412 15.576 9.695 1.00 0.00 N ATOM 0 H LYS A 33 -5.276 12.182 4.037 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.057 11.837 4.338 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.406 12.516 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.246 14.078 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.668 14.516 5.719 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.817 12.959 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.125 13.663 8.203 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.990 15.223 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.428 15.622 7.838 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.518 14.085 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.244 15.912 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.885 14.895 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.798 16.384 9.466 1.00 0.00 H new ATOM 482 N ARG A 34 -7.141 14.315 2.426 1.00 0.00 N ATOM 483 CA ARG A 34 -7.617 15.325 1.490 1.00 0.00 C ATOM 484 C ARG A 34 -8.401 14.708 0.336 1.00 0.00 C ATOM 485 O ARG A 34 -9.489 15.172 -0.009 1.00 0.00 O ATOM 486 CB ARG A 34 -6.438 16.118 0.921 1.00 0.00 C ATOM 487 CG ARG A 34 -5.806 17.093 1.899 1.00 0.00 C ATOM 488 CD ARG A 34 -6.775 18.192 2.292 1.00 0.00 C ATOM 489 NE ARG A 34 -7.343 18.866 1.125 1.00 0.00 N ATOM 490 CZ ARG A 34 -7.152 20.150 0.832 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.383 20.911 1.599 1.00 0.00 N ATOM 492 NH2 ARG A 34 -7.734 20.667 -0.240 1.00 0.00 N ATOM 0 H ARG A 34 -6.135 14.152 2.391 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.283 15.987 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.675 15.417 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.777 16.670 0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.481 16.557 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.916 17.534 1.451 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.580 17.768 2.893 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.261 18.922 2.917 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.924 18.315 0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.931 20.513 2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.243 21.894 1.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.323 20.082 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.593 21.650 -0.472 1.00 0.00 H new ATOM 506 N HIS A 35 -7.848 13.663 -0.261 1.00 0.00 N ATOM 507 CA HIS A 35 -8.375 13.140 -1.514 1.00 0.00 C ATOM 508 C HIS A 35 -9.070 11.802 -1.301 1.00 0.00 C ATOM 509 O HIS A 35 -10.228 11.620 -1.679 1.00 0.00 O ATOM 510 CB HIS A 35 -7.247 12.978 -2.543 1.00 0.00 C ATOM 511 CG HIS A 35 -6.359 14.180 -2.693 1.00 0.00 C ATOM 512 ND1 HIS A 35 -6.821 15.432 -3.034 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.021 14.310 -2.539 1.00 0.00 C ATOM 514 CE1 HIS A 35 -5.807 16.276 -3.082 1.00 0.00 C ATOM 515 NE2 HIS A 35 -4.702 15.619 -2.784 1.00 0.00 N ATOM 0 H HIS A 35 -7.037 13.161 0.100 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.107 13.855 -1.891 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.634 12.123 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.688 12.745 -3.512 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.330 13.524 -2.271 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.871 17.327 -3.324 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -3.765 16.020 -2.743 1.00 0.00 H new ATOM 524 N ASN A 36 -8.357 10.868 -0.690 1.00 0.00 N ATOM 525 CA ASN A 36 -8.874 9.525 -0.477 1.00 0.00 C ATOM 526 C ASN A 36 -9.619 9.447 0.849 1.00 0.00 C ATOM 527 O ASN A 36 -9.082 8.999 1.860 1.00 0.00 O ATOM 528 CB ASN A 36 -7.738 8.500 -0.507 1.00 0.00 C ATOM 529 CG ASN A 36 -8.227 7.077 -0.305 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.359 6.740 -0.643 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.372 6.233 0.249 1.00 0.00 N ATOM 0 H ASN A 36 -7.414 11.017 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.570 9.294 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.217 8.569 -1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.013 8.744 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.644 5.263 0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.441 6.552 0.516 1.00 0.00 H new ATOM 538 N VAL A 37 -10.850 9.923 0.841 1.00 0.00 N ATOM 539 CA VAL A 37 -11.673 9.938 2.040 1.00 0.00 C ATOM 540 C VAL A 37 -12.144 8.527 2.414 1.00 0.00 C ATOM 541 O VAL A 37 -12.522 8.266 3.560 1.00 0.00 O ATOM 542 CB VAL A 37 -12.902 10.859 1.850 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.661 11.038 3.158 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.482 12.212 1.295 1.00 0.00 C ATOM 0 H VAL A 37 -11.306 10.307 0.013 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.056 10.324 2.851 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.568 10.380 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.519 11.690 2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.005 10.067 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.002 11.485 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.362 12.843 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.789 12.690 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.994 12.074 0.330 1.00 0.00 H new ATOM 554 N SER A 38 -12.101 7.607 1.461 1.00 0.00 N ATOM 555 CA SER A 38 -12.618 6.270 1.699 1.00 0.00 C ATOM 556 C SER A 38 -11.486 5.263 1.934 1.00 0.00 C ATOM 557 O SER A 38 -11.094 5.023 3.081 1.00 0.00 O ATOM 558 CB SER A 38 -13.512 5.830 0.538 1.00 0.00 C ATOM 559 OG SER A 38 -14.194 4.624 0.843 1.00 0.00 O ATOM 0 H SER A 38 -11.718 7.760 0.528 1.00 0.00 H new ATOM 0 HA SER A 38 -13.220 6.299 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.236 6.614 0.316 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.907 5.692 -0.358 1.00 0.00 H new ATOM 0 HG SER A 38 -13.662 3.861 0.536 1.00 0.00 H new ATOM 565 N HIS A 39 -10.949 4.690 0.854 1.00 0.00 N ATOM 566 CA HIS A 39 -9.947 3.630 0.962 1.00 0.00 C ATOM 567 C HIS A 39 -9.349 3.309 -0.406 1.00 0.00 C ATOM 568 O HIS A 39 -10.003 3.488 -1.429 1.00 0.00 O ATOM 569 CB HIS A 39 -10.572 2.360 1.562 1.00 0.00 C ATOM 570 CG HIS A 39 -11.636 1.727 0.708 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.930 2.195 0.644 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.590 0.652 -0.115 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.631 1.440 -0.176 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.844 0.496 -0.652 1.00 0.00 N ATOM 0 H HIS A 39 -11.192 4.943 -0.104 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.153 3.984 1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.782 1.630 1.738 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.001 2.605 2.533 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.727 0.033 -0.312 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.675 1.572 -0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.121 -0.231 -1.311 1.00 0.00 H new ATOM 583 N TYR A 40 -8.118 2.819 -0.420 1.00 0.00 N ATOM 584 CA TYR A 40 -7.490 2.416 -1.670 1.00 0.00 C ATOM 585 C TYR A 40 -7.033 0.965 -1.596 1.00 0.00 C ATOM 586 O TYR A 40 -6.622 0.483 -0.536 1.00 0.00 O ATOM 587 CB TYR A 40 -6.319 3.340 -2.039 1.00 0.00 C ATOM 588 CG TYR A 40 -5.096 3.221 -1.151 1.00 0.00 C ATOM 589 CD1 TYR A 40 -4.953 4.007 -0.013 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.073 2.328 -1.462 1.00 0.00 C ATOM 591 CE1 TYR A 40 -3.834 3.904 0.788 1.00 0.00 C ATOM 592 CE2 TYR A 40 -2.952 2.218 -0.662 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.837 3.010 0.461 1.00 0.00 C ATOM 594 OH TYR A 40 -1.727 2.902 1.264 1.00 0.00 O ATOM 0 H TYR A 40 -7.539 2.692 0.410 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.236 2.504 -2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.023 3.131 -3.067 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.669 4.372 -2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.730 4.710 0.248 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.158 1.711 -2.344 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.740 4.522 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.171 1.516 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.971 3.112 2.190 1.00 0.00 H new ATOM 604 N ILE A 41 -7.135 0.273 -2.721 1.00 0.00 N ATOM 605 CA ILE A 41 -6.755 -1.130 -2.811 1.00 0.00 C ATOM 606 C ILE A 41 -5.577 -1.293 -3.766 1.00 0.00 C ATOM 607 O ILE A 41 -5.724 -1.138 -4.978 1.00 0.00 O ATOM 608 CB ILE A 41 -7.928 -1.996 -3.314 1.00 0.00 C ATOM 609 CG1 ILE A 41 -9.200 -1.692 -2.519 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.575 -3.473 -3.202 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.442 -2.327 -3.101 1.00 0.00 C ATOM 0 H ILE A 41 -7.483 0.666 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.475 -1.461 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.112 -1.757 -4.361 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.070 -2.040 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.341 -0.612 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.410 -4.075 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.692 -3.683 -3.805 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.370 -3.720 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.305 -2.069 -2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.597 -1.960 -4.116 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.322 -3.410 -3.121 1.00 0.00 H new ATOM 623 N TYR A 42 -4.420 -1.598 -3.219 1.00 0.00 N ATOM 624 CA TYR A 42 -3.202 -1.707 -4.001 1.00 0.00 C ATOM 625 C TYR A 42 -2.904 -3.173 -4.308 1.00 0.00 C ATOM 626 O TYR A 42 -2.554 -3.941 -3.410 1.00 0.00 O ATOM 627 CB TYR A 42 -2.039 -1.086 -3.216 1.00 0.00 C ATOM 628 CG TYR A 42 -0.789 -0.802 -4.026 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.206 -1.770 -4.836 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.177 0.441 -3.955 1.00 0.00 C ATOM 631 CE1 TYR A 42 0.946 -1.505 -5.552 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.972 0.715 -4.670 1.00 0.00 C ATOM 633 CZ TYR A 42 1.529 -0.261 -5.464 1.00 0.00 C ATOM 634 OH TYR A 42 2.679 0.007 -6.167 1.00 0.00 O ATOM 0 H TYR A 42 -4.295 -1.777 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.328 -1.174 -4.943 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.382 -0.153 -2.768 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.777 -1.755 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.662 -2.747 -4.907 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.607 1.209 -3.329 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.386 -2.269 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.431 1.690 -4.606 1.00 0.00 H new ATOM 0 HH TYR A 42 2.959 0.930 -5.996 1.00 0.00 H new ATOM 644 N TYR A 43 -3.049 -3.560 -5.562 1.00 0.00 N ATOM 645 CA TYR A 43 -2.693 -4.905 -5.989 1.00 0.00 C ATOM 646 C TYR A 43 -1.226 -4.929 -6.398 1.00 0.00 C ATOM 647 O TYR A 43 -0.847 -4.296 -7.376 1.00 0.00 O ATOM 648 CB TYR A 43 -3.572 -5.353 -7.161 1.00 0.00 C ATOM 649 CG TYR A 43 -5.053 -5.327 -6.860 1.00 0.00 C ATOM 650 CD1 TYR A 43 -5.656 -6.363 -6.159 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.847 -4.267 -7.281 1.00 0.00 C ATOM 652 CE1 TYR A 43 -7.009 -6.343 -5.887 1.00 0.00 C ATOM 653 CE2 TYR A 43 -7.201 -4.241 -7.010 1.00 0.00 C ATOM 654 CZ TYR A 43 -7.775 -5.282 -6.312 1.00 0.00 C ATOM 655 OH TYR A 43 -9.122 -5.259 -6.039 1.00 0.00 O ATOM 0 H TYR A 43 -3.411 -2.963 -6.305 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.855 -5.595 -5.160 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.374 -4.709 -8.018 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.288 -6.365 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.058 -7.196 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.398 -3.451 -7.828 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.465 -7.157 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.806 -3.411 -7.343 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.516 -4.441 -6.407 1.00 0.00 H new ATOM 665 N LEU A 44 -0.401 -5.642 -5.639 1.00 0.00 N ATOM 666 CA LEU A 44 1.047 -5.615 -5.853 1.00 0.00 C ATOM 667 C LEU A 44 1.456 -6.290 -7.163 1.00 0.00 C ATOM 668 O LEU A 44 2.392 -5.844 -7.824 1.00 0.00 O ATOM 669 CB LEU A 44 1.796 -6.262 -4.680 1.00 0.00 C ATOM 670 CG LEU A 44 1.908 -5.409 -3.406 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.633 -5.468 -2.576 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.105 -5.843 -2.575 1.00 0.00 C ATOM 0 H LEU A 44 -0.705 -6.244 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 44 1.326 -4.563 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.297 -7.197 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.802 -6.518 -5.013 1.00 0.00 H new ATOM 0 HG LEU A 44 2.053 -4.374 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.751 -4.853 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.203 -5.094 -3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.437 -6.499 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.167 -5.227 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.990 -6.889 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.017 -5.724 -3.160 1.00 0.00 H new ATOM 684 N ALA A 45 0.752 -7.349 -7.543 1.00 0.00 N ATOM 685 CA ALA A 45 1.125 -8.121 -8.732 1.00 0.00 C ATOM 686 C ALA A 45 0.936 -7.322 -10.020 1.00 0.00 C ATOM 687 O ALA A 45 1.744 -7.411 -10.940 1.00 0.00 O ATOM 688 CB ALA A 45 0.338 -9.421 -8.801 1.00 0.00 C ATOM 0 H ALA A 45 -0.074 -7.694 -7.054 1.00 0.00 H new ATOM 0 HA ALA A 45 2.186 -8.352 -8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.631 -9.977 -9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.546 -10.020 -7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.728 -9.199 -8.847 1.00 0.00 H new ATOM 694 N THR A 46 -0.131 -6.547 -10.085 1.00 0.00 N ATOM 695 CA THR A 46 -0.412 -5.753 -11.270 1.00 0.00 C ATOM 696 C THR A 46 0.016 -4.306 -11.067 1.00 0.00 C ATOM 697 O THR A 46 -0.022 -3.498 -12.000 1.00 0.00 O ATOM 698 CB THR A 46 -1.911 -5.801 -11.613 1.00 0.00 C ATOM 699 OG1 THR A 46 -2.682 -5.544 -10.430 1.00 0.00 O ATOM 700 CG2 THR A 46 -2.292 -7.154 -12.199 1.00 0.00 C ATOM 0 H THR A 46 -0.816 -6.450 -9.335 1.00 0.00 H new ATOM 0 HA THR A 46 0.158 -6.178 -12.096 1.00 0.00 H new ATOM 0 HB THR A 46 -2.122 -5.036 -12.360 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.637 -5.573 -10.649 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.357 -7.162 -12.433 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.719 -7.331 -13.109 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.074 -7.939 -11.475 1.00 0.00 H new ATOM 708 N GLU A 47 0.423 -4.001 -9.835 1.00 0.00 N ATOM 709 CA GLU A 47 0.786 -2.647 -9.424 1.00 0.00 C ATOM 710 C GLU A 47 -0.386 -1.683 -9.604 1.00 0.00 C ATOM 711 O GLU A 47 -0.200 -0.468 -9.650 1.00 0.00 O ATOM 712 CB GLU A 47 2.019 -2.150 -10.183 1.00 0.00 C ATOM 713 CG GLU A 47 3.317 -2.803 -9.729 1.00 0.00 C ATOM 714 CD GLU A 47 4.532 -2.173 -10.374 1.00 0.00 C ATOM 715 OE1 GLU A 47 4.574 -0.938 -10.474 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.455 -2.908 -10.781 1.00 0.00 O ATOM 0 H GLU A 47 0.510 -4.692 -9.090 1.00 0.00 H new ATOM 0 HA GLU A 47 1.035 -2.681 -8.363 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.880 -2.338 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.102 -1.070 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.401 -2.724 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.290 -3.866 -9.970 1.00 0.00 H new ATOM 723 N ASN A 48 -1.593 -2.230 -9.671 1.00 0.00 N ATOM 724 CA ASN A 48 -2.783 -1.415 -9.847 1.00 0.00 C ATOM 725 C ASN A 48 -3.295 -0.920 -8.508 1.00 0.00 C ATOM 726 O ASN A 48 -3.697 -1.706 -7.648 1.00 0.00 O ATOM 727 CB ASN A 48 -3.891 -2.187 -10.570 1.00 0.00 C ATOM 728 CG ASN A 48 -3.579 -2.447 -12.033 1.00 0.00 C ATOM 729 OD1 ASN A 48 -2.839 -1.697 -12.673 1.00 0.00 O ATOM 730 ND2 ASN A 48 -4.155 -3.508 -12.577 1.00 0.00 N ATOM 0 H ASN A 48 -1.771 -3.232 -9.606 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.503 -0.560 -10.463 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.052 -3.139 -10.064 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.823 -1.626 -10.498 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.993 -3.729 -13.559 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.761 -4.104 -12.014 1.00 0.00 H new ATOM 737 N VAL A 49 -3.274 0.387 -8.337 1.00 0.00 N ATOM 738 CA VAL A 49 -3.733 1.008 -7.105 1.00 0.00 C ATOM 739 C VAL A 49 -5.149 1.536 -7.289 1.00 0.00 C ATOM 740 O VAL A 49 -5.357 2.523 -7.986 1.00 0.00 O ATOM 741 CB VAL A 49 -2.815 2.175 -6.683 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.020 2.520 -5.216 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.357 1.850 -6.964 1.00 0.00 C ATOM 0 H VAL A 49 -2.941 1.046 -9.041 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.711 0.248 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.085 3.048 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.363 3.345 -4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.057 2.812 -5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.787 1.650 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.732 2.689 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.069 0.959 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.224 1.669 -8.031 1.00 0.00 H new ATOM 753 N HIS A 50 -6.123 0.868 -6.692 1.00 0.00 N ATOM 754 CA HIS A 50 -7.521 1.273 -6.818 1.00 0.00 C ATOM 755 C HIS A 50 -7.918 2.223 -5.693 1.00 0.00 C ATOM 756 O HIS A 50 -8.302 1.779 -4.613 1.00 0.00 O ATOM 757 CB HIS A 50 -8.451 0.051 -6.794 1.00 0.00 C ATOM 758 CG HIS A 50 -8.429 -0.779 -8.043 1.00 0.00 C ATOM 759 ND1 HIS A 50 -9.484 -1.575 -8.426 1.00 0.00 N ATOM 760 CD2 HIS A 50 -7.482 -0.936 -9.000 1.00 0.00 C ATOM 761 CE1 HIS A 50 -9.189 -2.184 -9.556 1.00 0.00 C ATOM 762 NE2 HIS A 50 -7.980 -1.815 -9.932 1.00 0.00 N ATOM 0 H HIS A 50 -5.975 0.041 -6.114 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.625 1.786 -7.774 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.176 -0.581 -5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.471 0.392 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.514 -0.458 -9.026 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -9.831 -2.872 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -7.496 -2.129 -10.773 1.00 0.00 H new ATOM 771 N ILE A 51 -7.811 3.522 -5.932 1.00 0.00 N ATOM 772 CA ILE A 51 -8.233 4.508 -4.943 1.00 0.00 C ATOM 773 C ILE A 51 -9.730 4.760 -5.071 1.00 0.00 C ATOM 774 O ILE A 51 -10.178 5.456 -5.984 1.00 0.00 O ATOM 775 CB ILE A 51 -7.484 5.860 -5.070 1.00 0.00 C ATOM 776 CG1 ILE A 51 -5.984 5.701 -4.810 1.00 0.00 C ATOM 777 CG2 ILE A 51 -8.066 6.884 -4.105 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.209 5.168 -5.991 1.00 0.00 C ATOM 0 H ILE A 51 -7.439 3.918 -6.795 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.989 4.090 -3.966 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.617 6.210 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.571 6.668 -4.524 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.842 5.030 -3.963 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.529 7.827 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.120 7.041 -4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.966 6.519 -3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.155 5.084 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.594 4.186 -6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.318 5.849 -6.835 1.00 0.00 H new ATOM 790 N VAL A 52 -10.501 4.180 -4.172 1.00 0.00 N ATOM 791 CA VAL A 52 -11.940 4.345 -4.201 1.00 0.00 C ATOM 792 C VAL A 52 -12.333 5.581 -3.413 1.00 0.00 C ATOM 793 O VAL A 52 -12.140 5.644 -2.197 1.00 0.00 O ATOM 794 CB VAL A 52 -12.671 3.116 -3.626 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.162 3.203 -3.914 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.080 1.827 -4.181 1.00 0.00 C ATOM 0 H VAL A 52 -10.155 3.591 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.237 4.456 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.534 3.107 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.664 2.328 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.569 4.104 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.323 3.239 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.611 0.973 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.180 1.819 -5.266 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.025 1.765 -3.913 1.00 0.00 H new ATOM 806 N LEU A 53 -12.862 6.570 -4.112 1.00 0.00 N ATOM 807 CA LEU A 53 -13.263 7.817 -3.486 1.00 0.00 C ATOM 808 C LEU A 53 -14.615 7.662 -2.806 1.00 0.00 C ATOM 809 O LEU A 53 -15.320 6.673 -3.018 1.00 0.00 O ATOM 810 CB LEU A 53 -13.330 8.936 -4.529 1.00 0.00 C ATOM 811 CG LEU A 53 -12.031 9.191 -5.299 1.00 0.00 C ATOM 812 CD1 LEU A 53 -12.217 10.325 -6.296 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.892 9.505 -4.338 1.00 0.00 C ATOM 0 H LEU A 53 -13.024 6.533 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.520 8.077 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -14.116 8.697 -5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -13.624 9.859 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.775 8.286 -5.850 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.284 10.493 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.002 10.062 -7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -12.498 11.234 -5.765 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.977 9.683 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.140 10.394 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.743 8.662 -3.663 1.00 0.00 H new ATOM 825 N LYS A 54 -14.984 8.651 -2.006 1.00 0.00 N ATOM 826 CA LYS A 54 -16.264 8.630 -1.310 1.00 0.00 C ATOM 827 C LYS A 54 -17.368 9.097 -2.261 1.00 0.00 C ATOM 828 O LYS A 54 -18.552 9.103 -1.925 1.00 0.00 O ATOM 829 CB LYS A 54 -16.204 9.517 -0.060 1.00 0.00 C ATOM 830 CG LYS A 54 -17.428 9.406 0.835 1.00 0.00 C ATOM 831 CD LYS A 54 -17.306 10.298 2.056 1.00 0.00 C ATOM 832 CE LYS A 54 -18.560 10.240 2.910 1.00 0.00 C ATOM 833 NZ LYS A 54 -18.471 11.143 4.084 1.00 0.00 N ATOM 0 H LYS A 54 -14.416 9.478 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 54 -16.486 7.613 -0.988 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -15.318 9.253 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -16.085 10.556 -0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.319 9.680 0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -17.557 8.371 1.151 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.445 9.990 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -17.125 11.326 1.741 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -19.424 10.515 2.305 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -18.721 9.217 3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -19.346 11.075 4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -17.661 10.865 4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -18.343 12.123 3.759 1.00 0.00 H new ATOM 847 N ASN A 55 -16.955 9.493 -3.457 1.00 0.00 N ATOM 848 CA ASN A 55 -17.884 9.904 -4.498 1.00 0.00 C ATOM 849 C ASN A 55 -18.052 8.770 -5.509 1.00 0.00 C ATOM 850 O ASN A 55 -18.347 9.001 -6.680 1.00 0.00 O ATOM 851 CB ASN A 55 -17.369 11.176 -5.184 1.00 0.00 C ATOM 852 CG ASN A 55 -18.450 11.902 -5.965 1.00 0.00 C ATOM 853 OD1 ASN A 55 -18.623 11.691 -7.164 1.00 0.00 O ATOM 854 ND2 ASN A 55 -19.186 12.762 -5.284 1.00 0.00 N ATOM 0 H ASN A 55 -15.973 9.538 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.856 10.124 -4.056 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -16.958 11.848 -4.431 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -16.553 10.915 -5.858 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -19.930 13.280 -5.752 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -19.010 12.908 -4.290 1.00 0.00 H new ATOM 861 N ASP A 56 -17.823 7.540 -5.031 1.00 0.00 N ATOM 862 CA ASP A 56 -18.034 6.309 -5.813 1.00 0.00 C ATOM 863 C ASP A 56 -16.919 6.070 -6.834 1.00 0.00 C ATOM 864 O ASP A 56 -16.573 4.926 -7.128 1.00 0.00 O ATOM 865 CB ASP A 56 -19.398 6.337 -6.516 1.00 0.00 C ATOM 866 CG ASP A 56 -19.677 5.078 -7.313 1.00 0.00 C ATOM 867 OD1 ASP A 56 -19.332 5.031 -8.514 1.00 0.00 O ATOM 868 OD2 ASP A 56 -20.264 4.133 -6.752 1.00 0.00 O ATOM 0 H ASP A 56 -17.484 7.367 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.014 5.480 -5.106 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -20.182 6.471 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -19.440 7.199 -7.182 1.00 0.00 H new ATOM 873 N ASN A 57 -16.358 7.146 -7.363 1.00 0.00 N ATOM 874 CA ASN A 57 -15.335 7.052 -8.398 1.00 0.00 C ATOM 875 C ASN A 57 -14.078 6.354 -7.889 1.00 0.00 C ATOM 876 O ASN A 57 -13.512 6.738 -6.866 1.00 0.00 O ATOM 877 CB ASN A 57 -14.988 8.447 -8.921 1.00 0.00 C ATOM 878 CG ASN A 57 -13.920 8.427 -10.000 1.00 0.00 C ATOM 879 OD1 ASN A 57 -14.218 8.265 -11.183 1.00 0.00 O ATOM 880 ND2 ASN A 57 -12.670 8.613 -9.604 1.00 0.00 N ATOM 0 H ASN A 57 -16.594 8.101 -7.092 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.740 6.450 -9.212 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.889 8.915 -9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -14.647 9.066 -8.091 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -11.914 8.626 -10.289 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.463 8.744 -8.614 1.00 0.00 H new ATOM 887 N THR A 58 -13.654 5.329 -8.608 1.00 0.00 N ATOM 888 CA THR A 58 -12.443 4.604 -8.268 1.00 0.00 C ATOM 889 C THR A 58 -11.304 4.993 -9.206 1.00 0.00 C ATOM 890 O THR A 58 -11.349 4.714 -10.406 1.00 0.00 O ATOM 891 CB THR A 58 -12.672 3.081 -8.338 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.751 2.710 -7.470 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.415 2.318 -7.944 1.00 0.00 C ATOM 0 H THR A 58 -14.135 4.979 -9.437 1.00 0.00 H new ATOM 0 HA THR A 58 -12.173 4.871 -7.246 1.00 0.00 H new ATOM 0 HB THR A 58 -12.923 2.823 -9.367 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.893 1.742 -7.520 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.606 1.247 -8.003 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.603 2.579 -8.623 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.134 2.581 -6.924 1.00 0.00 H new ATOM 901 N VAL A 59 -10.294 5.651 -8.658 1.00 0.00 N ATOM 902 CA VAL A 59 -9.125 6.041 -9.431 1.00 0.00 C ATOM 903 C VAL A 59 -8.082 4.935 -9.364 1.00 0.00 C ATOM 904 O VAL A 59 -7.414 4.762 -8.350 1.00 0.00 O ATOM 905 CB VAL A 59 -8.501 7.356 -8.911 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.384 7.827 -9.833 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.559 8.437 -8.759 1.00 0.00 C ATOM 0 H VAL A 59 -10.261 5.927 -7.677 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.447 6.204 -10.460 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.073 7.158 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.960 8.754 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.606 7.065 -9.881 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.785 8.000 -10.832 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.094 9.352 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.024 8.629 -9.726 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -10.318 8.106 -8.050 1.00 0.00 H new ATOM 917 N LEU A 60 -7.968 4.165 -10.430 1.00 0.00 N ATOM 918 CA LEU A 60 -7.030 3.056 -10.453 1.00 0.00 C ATOM 919 C LEU A 60 -5.750 3.443 -11.195 1.00 0.00 C ATOM 920 O LEU A 60 -5.779 3.881 -12.345 1.00 0.00 O ATOM 921 CB LEU A 60 -7.690 1.760 -10.995 1.00 0.00 C ATOM 922 CG LEU A 60 -8.138 1.686 -12.478 1.00 0.00 C ATOM 923 CD1 LEU A 60 -8.808 2.966 -12.959 1.00 0.00 C ATOM 924 CD2 LEU A 60 -6.977 1.298 -13.379 1.00 0.00 C ATOM 0 H LEU A 60 -8.509 4.285 -11.286 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.737 2.829 -9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.989 0.943 -10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.567 1.560 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.895 0.904 -12.537 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.099 2.854 -14.003 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.693 3.163 -12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.112 3.799 -12.864 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.318 1.253 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.184 2.040 -13.290 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.595 0.322 -13.080 1.00 0.00 H new ATOM 936 N LEU A 61 -4.630 3.324 -10.497 1.00 0.00 N ATOM 937 CA LEU A 61 -3.335 3.720 -11.035 1.00 0.00 C ATOM 938 C LEU A 61 -2.468 2.506 -11.304 1.00 0.00 C ATOM 939 O LEU A 61 -2.900 1.364 -11.145 1.00 0.00 O ATOM 940 CB LEU A 61 -2.578 4.602 -10.035 1.00 0.00 C ATOM 941 CG LEU A 61 -3.410 5.606 -9.249 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.555 6.238 -8.169 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.985 6.671 -10.165 1.00 0.00 C ATOM 0 H LEU A 61 -4.592 2.953 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.529 4.265 -11.959 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.068 3.952 -9.325 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.807 5.149 -10.578 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.245 5.082 -8.784 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.151 6.957 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.189 5.464 -7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.708 6.749 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.575 7.375 -9.579 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.172 7.202 -10.660 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.621 6.201 -10.915 1.00 0.00 H new ATOM 955 N LYS A 62 -1.236 2.781 -11.702 1.00 0.00 N ATOM 956 CA LYS A 62 -0.184 1.785 -11.756 1.00 0.00 C ATOM 957 C LYS A 62 1.041 2.347 -11.055 1.00 0.00 C ATOM 958 O LYS A 62 1.386 3.512 -11.260 1.00 0.00 O ATOM 959 CB LYS A 62 0.162 1.411 -13.199 1.00 0.00 C ATOM 960 CG LYS A 62 -0.893 0.559 -13.879 1.00 0.00 C ATOM 961 CD LYS A 62 -0.461 0.149 -15.275 1.00 0.00 C ATOM 962 CE LYS A 62 -1.436 -0.844 -15.880 1.00 0.00 C ATOM 963 NZ LYS A 62 -1.482 -2.114 -15.110 1.00 0.00 N ATOM 0 H LYS A 62 -0.938 3.710 -11.999 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.527 0.877 -11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.307 2.324 -13.777 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.111 0.874 -13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.085 -0.331 -13.280 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.830 1.114 -13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.394 1.031 -15.912 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.535 -0.292 -15.236 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.432 -0.402 -15.911 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.148 -1.054 -16.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.905 -2.861 -15.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.517 -2.391 -14.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.057 -1.980 -14.254 1.00 0.00 H new ATOM 977 N GLY A 63 1.665 1.540 -10.209 1.00 0.00 N ATOM 978 CA GLY A 63 2.862 1.973 -9.511 1.00 0.00 C ATOM 979 C GLY A 63 3.934 2.438 -10.471 1.00 0.00 C ATOM 980 O GLY A 63 4.249 3.626 -10.539 1.00 0.00 O ATOM 0 H GLY A 63 1.364 0.590 -9.992 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.611 2.783 -8.826 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.247 1.152 -8.906 1.00 0.00 H new ATOM 984 N LEU A 64 4.489 1.504 -11.216 1.00 0.00 N ATOM 985 CA LEU A 64 5.465 1.823 -12.236 1.00 0.00 C ATOM 986 C LEU A 64 5.269 0.905 -13.440 1.00 0.00 C ATOM 987 O LEU A 64 5.317 1.354 -14.589 1.00 0.00 O ATOM 988 CB LEU A 64 6.884 1.678 -11.665 1.00 0.00 C ATOM 989 CG LEU A 64 7.985 2.501 -12.358 1.00 0.00 C ATOM 990 CD1 LEU A 64 8.303 1.959 -13.746 1.00 0.00 C ATOM 991 CD2 LEU A 64 7.582 3.965 -12.433 1.00 0.00 C ATOM 0 H LEU A 64 4.278 0.510 -11.132 1.00 0.00 H new ATOM 0 HA LEU A 64 5.329 2.855 -12.560 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.859 1.958 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.165 0.626 -11.709 1.00 0.00 H new ATOM 0 HG LEU A 64 8.891 2.416 -11.759 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.084 2.566 -14.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.646 0.928 -13.664 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.407 1.995 -14.365 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.370 4.535 -12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.657 4.059 -13.002 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.430 4.352 -11.426 1.00 0.00 H new ATOM 1003 N LYS A 65 5.024 -0.373 -13.173 1.00 0.00 N ATOM 1004 CA LYS A 65 4.898 -1.359 -14.241 1.00 0.00 C ATOM 1005 C LYS A 65 3.903 -2.463 -13.855 1.00 0.00 C ATOM 1006 O LYS A 65 2.701 -2.330 -14.098 1.00 0.00 O ATOM 1007 CB LYS A 65 6.285 -1.940 -14.559 1.00 0.00 C ATOM 1008 CG LYS A 65 6.330 -2.876 -15.757 1.00 0.00 C ATOM 1009 CD LYS A 65 7.751 -3.353 -16.013 1.00 0.00 C ATOM 1010 CE LYS A 65 7.838 -4.255 -17.230 1.00 0.00 C ATOM 1011 NZ LYS A 65 9.242 -4.666 -17.501 1.00 0.00 N ATOM 0 H LYS A 65 4.909 -0.749 -12.232 1.00 0.00 H new ATOM 0 HA LYS A 65 4.506 -0.874 -15.135 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.976 -1.116 -14.735 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.647 -2.478 -13.683 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.680 -3.733 -15.580 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.949 -2.363 -16.640 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.403 -2.491 -16.154 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.116 -3.890 -15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.222 -5.140 -17.074 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.435 -3.736 -18.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.268 -5.282 -18.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.824 -3.821 -17.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.617 -5.183 -16.680 1.00 0.00 H new ATOM 1025 N ASN A 66 4.415 -3.530 -13.236 1.00 0.00 N ATOM 1026 CA ASN A 66 3.613 -4.667 -12.775 1.00 0.00 C ATOM 1027 C ASN A 66 4.535 -5.750 -12.214 1.00 0.00 C ATOM 1028 O ASN A 66 5.298 -6.384 -12.947 1.00 0.00 O ATOM 1029 CB ASN A 66 2.696 -5.242 -13.880 1.00 0.00 C ATOM 1030 CG ASN A 66 3.408 -5.591 -15.180 1.00 0.00 C ATOM 1031 OD1 ASN A 66 3.551 -4.750 -16.068 1.00 0.00 O ATOM 1032 ND2 ASN A 66 3.816 -6.841 -15.317 1.00 0.00 N ATOM 0 H ASN A 66 5.411 -3.630 -13.038 1.00 0.00 H new ATOM 0 HA ASN A 66 2.951 -4.305 -11.988 1.00 0.00 H new ATOM 0 HB2 ASN A 66 2.207 -6.138 -13.498 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.911 -4.517 -14.095 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.268 -7.138 -16.182 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.679 -7.508 -14.558 1.00 0.00 H new ATOM 1039 N ILE A 67 4.489 -5.935 -10.901 1.00 0.00 N ATOM 1040 CA ILE A 67 5.362 -6.891 -10.239 1.00 0.00 C ATOM 1041 C ILE A 67 4.714 -8.268 -10.170 1.00 0.00 C ATOM 1042 O ILE A 67 4.046 -8.612 -9.196 1.00 0.00 O ATOM 1043 CB ILE A 67 5.747 -6.432 -8.812 1.00 0.00 C ATOM 1044 CG1 ILE A 67 6.405 -5.053 -8.862 1.00 0.00 C ATOM 1045 CG2 ILE A 67 6.691 -7.441 -8.167 1.00 0.00 C ATOM 1046 CD1 ILE A 67 6.693 -4.453 -7.503 1.00 0.00 C ATOM 0 H ILE A 67 3.857 -5.436 -10.276 1.00 0.00 H new ATOM 0 HA ILE A 67 6.271 -6.950 -10.838 1.00 0.00 H new ATOM 0 HB ILE A 67 4.841 -6.368 -8.210 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.339 -5.129 -9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.758 -4.374 -9.417 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.953 -7.105 -7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.200 -8.412 -8.107 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.596 -7.528 -8.768 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.159 -3.476 -7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.761 -4.342 -6.949 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.367 -5.108 -6.951 1.00 0.00 H new ATOM 1058 N VAL A 68 4.910 -9.058 -11.213 1.00 0.00 N ATOM 1059 CA VAL A 68 4.388 -10.418 -11.244 1.00 0.00 C ATOM 1060 C VAL A 68 5.387 -11.368 -10.583 1.00 0.00 C ATOM 1061 O VAL A 68 5.400 -12.575 -10.828 1.00 0.00 O ATOM 1062 CB VAL A 68 4.079 -10.874 -12.691 1.00 0.00 C ATOM 1063 CG1 VAL A 68 3.190 -12.109 -12.692 1.00 0.00 C ATOM 1064 CG2 VAL A 68 3.431 -9.749 -13.483 1.00 0.00 C ATOM 0 H VAL A 68 5.426 -8.783 -12.049 1.00 0.00 H new ATOM 0 HA VAL A 68 3.450 -10.438 -10.689 1.00 0.00 H new ATOM 0 HB VAL A 68 5.022 -11.133 -13.172 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.987 -12.410 -13.720 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.695 -12.921 -12.169 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.251 -11.881 -12.188 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.222 -10.091 -14.497 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.499 -9.454 -13.000 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.106 -8.894 -13.520 1.00 0.00 H new ATOM 1074 N SER A 69 6.207 -10.801 -9.718 1.00 0.00 N ATOM 1075 CA SER A 69 7.203 -11.554 -8.978 1.00 0.00 C ATOM 1076 C SER A 69 6.691 -11.871 -7.576 1.00 0.00 C ATOM 1077 O SER A 69 7.448 -12.305 -6.706 1.00 0.00 O ATOM 1078 CB SER A 69 8.496 -10.747 -8.901 1.00 0.00 C ATOM 1079 OG SER A 69 8.975 -10.434 -10.202 1.00 0.00 O ATOM 0 H SER A 69 6.201 -9.803 -9.508 1.00 0.00 H new ATOM 0 HA SER A 69 7.398 -12.495 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.323 -9.828 -8.342 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.252 -11.314 -8.357 1.00 0.00 H new ATOM 0 HG SER A 69 9.803 -9.915 -10.130 1.00 0.00 H new ATOM 1085 N VAL A 70 5.397 -11.644 -7.369 1.00 0.00 N ATOM 1086 CA VAL A 70 4.755 -11.933 -6.096 1.00 0.00 C ATOM 1087 C VAL A 70 4.746 -13.434 -5.841 1.00 0.00 C ATOM 1088 O VAL A 70 4.434 -14.228 -6.733 1.00 0.00 O ATOM 1089 CB VAL A 70 3.304 -11.396 -6.062 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.624 -11.717 -4.738 1.00 0.00 C ATOM 1091 CG2 VAL A 70 3.282 -9.898 -6.319 1.00 0.00 C ATOM 0 H VAL A 70 4.770 -11.257 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 70 5.327 -11.432 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 70 2.747 -11.896 -6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.607 -11.326 -4.747 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.596 -12.797 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.182 -11.258 -3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.253 -9.539 -6.291 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.865 -9.389 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.712 -9.691 -7.299 1.00 0.00 H new ATOM 1101 N LYS A 71 5.101 -13.820 -4.629 1.00 0.00 N ATOM 1102 CA LYS A 71 5.135 -15.220 -4.255 1.00 0.00 C ATOM 1103 C LYS A 71 3.760 -15.670 -3.792 1.00 0.00 C ATOM 1104 O LYS A 71 3.095 -14.972 -3.025 1.00 0.00 O ATOM 1105 CB LYS A 71 6.160 -15.450 -3.143 1.00 0.00 C ATOM 1106 CG LYS A 71 7.589 -15.137 -3.555 1.00 0.00 C ATOM 1107 CD LYS A 71 8.086 -16.103 -4.616 1.00 0.00 C ATOM 1108 CE LYS A 71 9.508 -15.780 -5.040 1.00 0.00 C ATOM 1109 NZ LYS A 71 10.034 -16.787 -5.996 1.00 0.00 N ATOM 0 H LYS A 71 5.371 -13.178 -3.884 1.00 0.00 H new ATOM 0 HA LYS A 71 5.426 -15.805 -5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.896 -14.833 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.104 -16.489 -2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.644 -14.117 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.240 -15.187 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.042 -17.122 -4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.428 -16.062 -5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.536 -14.792 -5.499 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.151 -15.741 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.007 -16.536 -6.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.030 -17.726 -5.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.434 -16.806 -6.845 1.00 0.00 H new ATOM 1123 N PHE A 72 3.331 -16.824 -4.266 1.00 0.00 N ATOM 1124 CA PHE A 72 2.058 -17.378 -3.845 1.00 0.00 C ATOM 1125 C PHE A 72 2.224 -18.054 -2.491 1.00 0.00 C ATOM 1126 O PHE A 72 2.414 -19.268 -2.405 1.00 0.00 O ATOM 1127 CB PHE A 72 1.520 -18.365 -4.882 1.00 0.00 C ATOM 1128 CG PHE A 72 1.253 -17.741 -6.222 1.00 0.00 C ATOM 1129 CD1 PHE A 72 0.076 -17.051 -6.455 1.00 0.00 C ATOM 1130 CD2 PHE A 72 2.180 -17.844 -7.249 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -0.173 -16.475 -7.686 1.00 0.00 C ATOM 1132 CE2 PHE A 72 1.937 -17.269 -8.481 1.00 0.00 C ATOM 1133 CZ PHE A 72 0.759 -16.584 -8.702 1.00 0.00 C ATOM 0 H PHE A 72 3.842 -17.394 -4.940 1.00 0.00 H new ATOM 0 HA PHE A 72 1.333 -16.569 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.237 -19.177 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.598 -18.808 -4.506 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.656 -16.962 -5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.103 -18.380 -7.083 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.096 -15.940 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 72 2.668 -17.355 -9.271 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.566 -16.135 -9.665 1.00 0.00 H new ATOM 1143 N SER A 73 2.209 -17.248 -1.442 1.00 0.00 N ATOM 1144 CA SER A 73 2.405 -17.735 -0.090 1.00 0.00 C ATOM 1145 C SER A 73 1.434 -17.046 0.863 1.00 0.00 C ATOM 1146 O SER A 73 0.729 -16.108 0.477 1.00 0.00 O ATOM 1147 CB SER A 73 3.852 -17.486 0.352 1.00 0.00 C ATOM 1148 OG SER A 73 4.772 -18.091 -0.544 1.00 0.00 O ATOM 0 H SER A 73 2.061 -16.241 -1.505 1.00 0.00 H new ATOM 0 HA SER A 73 2.211 -18.807 -0.069 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.041 -16.414 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.002 -17.884 1.356 1.00 0.00 H new ATOM 0 HG SER A 73 5.687 -17.916 -0.241 1.00 0.00 H new ATOM 1154 N LYS A 74 1.392 -17.525 2.097 1.00 0.00 N ATOM 1155 CA LYS A 74 0.522 -16.966 3.119 1.00 0.00 C ATOM 1156 C LYS A 74 1.249 -16.969 4.461 1.00 0.00 C ATOM 1157 O LYS A 74 1.029 -17.850 5.290 1.00 0.00 O ATOM 1158 CB LYS A 74 -0.778 -17.780 3.233 1.00 0.00 C ATOM 1159 CG LYS A 74 -1.596 -17.834 1.949 1.00 0.00 C ATOM 1160 CD LYS A 74 -2.797 -18.757 2.094 1.00 0.00 C ATOM 1161 CE LYS A 74 -3.625 -18.813 0.818 1.00 0.00 C ATOM 1162 NZ LYS A 74 -4.781 -19.743 0.940 1.00 0.00 N ATOM 0 H LYS A 74 1.959 -18.310 2.417 1.00 0.00 H new ATOM 0 HA LYS A 74 0.266 -15.944 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.531 -18.797 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.393 -17.352 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.935 -16.831 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.966 -18.180 1.129 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.456 -19.760 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.422 -18.413 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.988 -17.814 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.992 -19.130 -0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.650 -20.547 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.844 -20.092 1.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.658 -19.241 0.694 1.00 0.00 H new ATOM 1176 N ASP A 75 2.141 -16.006 4.652 1.00 0.00 N ATOM 1177 CA ASP A 75 2.962 -15.956 5.859 1.00 0.00 C ATOM 1178 C ASP A 75 3.019 -14.548 6.438 1.00 0.00 C ATOM 1179 O ASP A 75 3.263 -13.581 5.717 1.00 0.00 O ATOM 1180 CB ASP A 75 4.376 -16.453 5.551 1.00 0.00 C ATOM 1181 CG ASP A 75 5.351 -16.179 6.677 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.046 -16.526 7.835 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.435 -15.615 6.407 1.00 0.00 O ATOM 0 H ASP A 75 2.316 -15.250 3.990 1.00 0.00 H new ATOM 0 HA ASP A 75 2.503 -16.606 6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.345 -17.525 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.735 -15.973 4.640 1.00 0.00 H new ATOM 1188 N ARG A 76 2.791 -14.437 7.743 1.00 0.00 N ATOM 1189 CA ARG A 76 2.848 -13.148 8.413 1.00 0.00 C ATOM 1190 C ARG A 76 4.242 -12.906 8.978 1.00 0.00 C ATOM 1191 O ARG A 76 4.615 -11.771 9.271 1.00 0.00 O ATOM 1192 CB ARG A 76 1.814 -13.070 9.540 1.00 0.00 C ATOM 1193 CG ARG A 76 1.558 -11.650 10.018 1.00 0.00 C ATOM 1194 CD ARG A 76 0.568 -11.593 11.173 1.00 0.00 C ATOM 1195 NE ARG A 76 1.181 -11.929 12.458 1.00 0.00 N ATOM 1196 CZ ARG A 76 0.606 -11.705 13.639 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -0.583 -11.117 13.701 1.00 0.00 N ATOM 1198 NH2 ARG A 76 1.231 -12.049 14.756 1.00 0.00 N ATOM 0 H ARG A 76 2.566 -15.223 8.353 1.00 0.00 H new ATOM 0 HA ARG A 76 2.619 -12.377 7.677 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.876 -13.505 9.195 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.156 -13.674 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.500 -11.199 10.329 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.178 -11.054 9.188 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.139 -10.592 11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.254 -12.281 10.976 1.00 0.00 H new ATOM 0 HE ARG A 76 2.105 -12.361 12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.058 -10.836 12.843 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.021 -10.947 14.606 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.152 -12.485 14.712 1.00 0.00 H new ATOM 0 HH22 ARG A 76 0.791 -11.878 15.660 1.00 0.00 H new ATOM 1212 N HIS A 77 5.017 -13.976 9.115 1.00 0.00 N ATOM 1213 CA HIS A 77 6.341 -13.885 9.716 1.00 0.00 C ATOM 1214 C HIS A 77 7.276 -13.040 8.855 1.00 0.00 C ATOM 1215 O HIS A 77 8.041 -12.227 9.375 1.00 0.00 O ATOM 1216 CB HIS A 77 6.937 -15.282 9.931 1.00 0.00 C ATOM 1217 CG HIS A 77 8.321 -15.270 10.505 1.00 0.00 C ATOM 1218 ND1 HIS A 77 9.439 -15.589 9.766 1.00 0.00 N ATOM 1219 CD2 HIS A 77 8.770 -14.971 11.746 1.00 0.00 C ATOM 1220 CE1 HIS A 77 10.514 -15.487 10.526 1.00 0.00 C ATOM 1221 NE2 HIS A 77 10.134 -15.111 11.731 1.00 0.00 N ATOM 0 H HIS A 77 4.751 -14.915 8.818 1.00 0.00 H new ATOM 0 HA HIS A 77 6.234 -13.399 10.686 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.283 -15.847 10.596 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.954 -15.810 8.977 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.166 -14.677 12.592 1.00 0.00 H new ATOM 0 HE1 HIS A 77 11.530 -15.679 10.214 1.00 0.00 H new ATOM 0 HE2 HIS A 77 10.755 -14.950 12.524 1.00 0.00 H new ATOM 1230 N LEU A 78 7.219 -13.234 7.545 1.00 0.00 N ATOM 1231 CA LEU A 78 8.049 -12.460 6.632 1.00 0.00 C ATOM 1232 C LEU A 78 7.645 -10.988 6.666 1.00 0.00 C ATOM 1233 O LEU A 78 8.495 -10.098 6.620 1.00 0.00 O ATOM 1234 CB LEU A 78 7.944 -13.019 5.212 1.00 0.00 C ATOM 1235 CG LEU A 78 8.922 -12.414 4.203 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.357 -12.542 4.699 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.772 -13.094 2.852 1.00 0.00 C ATOM 0 H LEU A 78 6.611 -13.916 7.092 1.00 0.00 H new ATOM 0 HA LEU A 78 9.088 -12.537 6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.105 -14.096 5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.928 -12.861 4.850 1.00 0.00 H new ATOM 0 HG LEU A 78 8.689 -11.355 4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.036 -12.105 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.462 -12.017 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.601 -13.595 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.474 -12.654 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.981 -14.159 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.754 -12.957 2.487 1.00 0.00 H new ATOM 1249 N ILE A 79 6.345 -10.738 6.775 1.00 0.00 N ATOM 1250 CA ILE A 79 5.832 -9.381 6.940 1.00 0.00 C ATOM 1251 C ILE A 79 6.384 -8.776 8.227 1.00 0.00 C ATOM 1252 O ILE A 79 6.922 -7.668 8.234 1.00 0.00 O ATOM 1253 CB ILE A 79 4.288 -9.364 7.003 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.697 -10.061 5.775 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.776 -7.931 7.107 1.00 0.00 C ATOM 1256 CD1 ILE A 79 2.192 -10.214 5.832 1.00 0.00 C ATOM 0 H ILE A 79 5.624 -11.459 6.752 1.00 0.00 H new ATOM 0 HA ILE A 79 6.152 -8.797 6.077 1.00 0.00 H new ATOM 0 HB ILE A 79 3.970 -9.907 7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.963 -9.494 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.151 -11.047 5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.687 -7.936 7.150 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.173 -7.467 8.010 1.00 0.00 H new ATOM 0 HG23 ILE A 79 4.102 -7.364 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.843 -10.716 4.930 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.919 -10.806 6.705 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.729 -9.230 5.902 1.00 0.00 H new ATOM 1268 N GLU A 80 6.259 -9.542 9.306 1.00 0.00 N ATOM 1269 CA GLU A 80 6.755 -9.152 10.622 1.00 0.00 C ATOM 1270 C GLU A 80 8.242 -8.802 10.566 1.00 0.00 C ATOM 1271 O GLU A 80 8.667 -7.768 11.073 1.00 0.00 O ATOM 1272 CB GLU A 80 6.538 -10.304 11.607 1.00 0.00 C ATOM 1273 CG GLU A 80 6.760 -9.927 13.060 1.00 0.00 C ATOM 1274 CD GLU A 80 5.585 -9.178 13.645 1.00 0.00 C ATOM 1275 OE1 GLU A 80 4.620 -9.840 14.079 1.00 0.00 O ATOM 1276 OE2 GLU A 80 5.620 -7.930 13.690 1.00 0.00 O ATOM 0 H GLU A 80 5.808 -10.457 9.292 1.00 0.00 H new ATOM 0 HA GLU A 80 6.207 -8.269 10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.521 -10.680 11.492 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.211 -11.121 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.939 -10.830 13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.656 -9.312 13.140 1.00 0.00 H new ATOM 1283 N THR A 81 9.016 -9.669 9.925 1.00 0.00 N ATOM 1284 CA THR A 81 10.459 -9.493 9.824 1.00 0.00 C ATOM 1285 C THR A 81 10.803 -8.251 8.997 1.00 0.00 C ATOM 1286 O THR A 81 11.726 -7.506 9.329 1.00 0.00 O ATOM 1287 CB THR A 81 11.117 -10.738 9.191 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.679 -11.922 9.875 1.00 0.00 O ATOM 1289 CG2 THR A 81 12.636 -10.648 9.256 1.00 0.00 C ATOM 0 H THR A 81 8.664 -10.508 9.464 1.00 0.00 H new ATOM 0 HA THR A 81 10.848 -9.360 10.833 1.00 0.00 H new ATOM 0 HB THR A 81 10.817 -10.784 8.144 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.764 -12.139 9.600 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.073 -11.538 8.803 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.972 -9.763 8.715 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.952 -10.578 10.297 1.00 0.00 H new ATOM 1297 N THR A 82 10.048 -8.021 7.933 1.00 0.00 N ATOM 1298 CA THR A 82 10.271 -6.863 7.082 1.00 0.00 C ATOM 1299 C THR A 82 9.871 -5.579 7.811 1.00 0.00 C ATOM 1300 O THR A 82 10.523 -4.544 7.675 1.00 0.00 O ATOM 1301 CB THR A 82 9.499 -6.994 5.756 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.805 -8.259 5.152 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.870 -5.876 4.792 1.00 0.00 C ATOM 0 H THR A 82 9.277 -8.620 7.639 1.00 0.00 H new ATOM 0 HA THR A 82 11.335 -6.814 6.849 1.00 0.00 H new ATOM 0 HB THR A 82 8.433 -6.925 5.971 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.246 -8.957 5.553 1.00 0.00 H new ATOM 0 HG21 THR A 82 9.310 -5.994 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.628 -4.913 5.242 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.938 -5.919 4.579 1.00 0.00 H new ATOM 1311 N SER A 83 8.811 -5.666 8.609 1.00 0.00 N ATOM 1312 CA SER A 83 8.384 -4.550 9.442 1.00 0.00 C ATOM 1313 C SER A 83 9.441 -4.268 10.508 1.00 0.00 C ATOM 1314 O SER A 83 9.760 -3.113 10.795 1.00 0.00 O ATOM 1315 CB SER A 83 7.032 -4.871 10.089 1.00 0.00 C ATOM 1316 OG SER A 83 6.491 -3.746 10.761 1.00 0.00 O ATOM 0 H SER A 83 8.231 -6.501 8.695 1.00 0.00 H new ATOM 0 HA SER A 83 8.268 -3.659 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.333 -5.208 9.323 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.152 -5.693 10.795 1.00 0.00 H new ATOM 0 HG SER A 83 5.629 -3.987 11.160 1.00 0.00 H new ATOM 1322 N ASN A 84 9.997 -5.338 11.067 1.00 0.00 N ATOM 1323 CA ASN A 84 11.086 -5.238 12.035 1.00 0.00 C ATOM 1324 C ASN A 84 12.280 -4.526 11.406 1.00 0.00 C ATOM 1325 O ASN A 84 12.863 -3.610 11.990 1.00 0.00 O ATOM 1326 CB ASN A 84 11.499 -6.640 12.499 1.00 0.00 C ATOM 1327 CG ASN A 84 12.682 -6.628 13.451 1.00 0.00 C ATOM 1328 OD1 ASN A 84 13.840 -6.648 13.027 1.00 0.00 O ATOM 1329 ND2 ASN A 84 12.402 -6.620 14.743 1.00 0.00 N ATOM 0 H ASN A 84 9.708 -6.295 10.864 1.00 0.00 H new ATOM 0 HA ASN A 84 10.745 -4.663 12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.651 -7.119 12.989 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.748 -7.246 11.628 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.157 -6.630 15.429 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.431 -6.603 15.054 1.00 0.00 H new ATOM 1336 N LYS A 85 12.620 -4.946 10.191 1.00 0.00 N ATOM 1337 CA LYS A 85 13.731 -4.363 9.453 1.00 0.00 C ATOM 1338 C LYS A 85 13.466 -2.885 9.166 1.00 0.00 C ATOM 1339 O LYS A 85 14.362 -2.050 9.276 1.00 0.00 O ATOM 1340 CB LYS A 85 13.952 -5.133 8.148 1.00 0.00 C ATOM 1341 CG LYS A 85 15.272 -4.819 7.464 1.00 0.00 C ATOM 1342 CD LYS A 85 15.476 -5.673 6.220 1.00 0.00 C ATOM 1343 CE LYS A 85 14.552 -5.252 5.087 1.00 0.00 C ATOM 1344 NZ LYS A 85 14.670 -6.154 3.911 1.00 0.00 N ATOM 0 H LYS A 85 12.136 -5.694 9.695 1.00 0.00 H new ATOM 0 HA LYS A 85 14.633 -4.435 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.907 -6.202 8.356 1.00 0.00 H new ATOM 0 HB3 LYS A 85 13.136 -4.907 7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 85 15.299 -3.764 7.190 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.093 -4.988 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 85 16.512 -5.595 5.892 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.297 -6.720 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.521 -5.250 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.788 -4.231 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.187 -5.726 3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.674 -6.297 3.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.231 -7.071 4.131 1.00 0.00 H new ATOM 1358 N LEU A 86 12.224 -2.568 8.825 1.00 0.00 N ATOM 1359 CA LEU A 86 11.819 -1.188 8.574 1.00 0.00 C ATOM 1360 C LEU A 86 11.962 -0.342 9.841 1.00 0.00 C ATOM 1361 O LEU A 86 12.324 0.830 9.776 1.00 0.00 O ATOM 1362 CB LEU A 86 10.369 -1.144 8.071 1.00 0.00 C ATOM 1363 CG LEU A 86 9.780 0.255 7.868 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.514 0.995 6.760 1.00 0.00 C ATOM 1365 CD2 LEU A 86 8.294 0.163 7.559 1.00 0.00 C ATOM 0 H LEU A 86 11.474 -3.251 8.715 1.00 0.00 H new ATOM 0 HA LEU A 86 12.473 -0.773 7.807 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.315 -1.682 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.741 -1.683 8.780 1.00 0.00 H new ATOM 0 HG LEU A 86 9.907 0.819 8.792 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.078 1.986 6.634 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.567 1.092 7.023 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.423 0.437 5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.889 1.165 7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.147 -0.420 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.779 -0.322 8.388 1.00 0.00 H new ATOM 1377 N LYS A 87 11.697 -0.946 10.989 1.00 0.00 N ATOM 1378 CA LYS A 87 11.758 -0.234 12.259 1.00 0.00 C ATOM 1379 C LYS A 87 13.202 0.065 12.664 1.00 0.00 C ATOM 1380 O LYS A 87 13.504 1.146 13.173 1.00 0.00 O ATOM 1381 CB LYS A 87 11.066 -1.058 13.352 1.00 0.00 C ATOM 1382 CG LYS A 87 10.870 -0.306 14.659 1.00 0.00 C ATOM 1383 CD LYS A 87 9.935 0.882 14.477 1.00 0.00 C ATOM 1384 CE LYS A 87 9.760 1.661 15.768 1.00 0.00 C ATOM 1385 NZ LYS A 87 8.870 2.837 15.582 1.00 0.00 N ATOM 0 H LYS A 87 11.437 -1.929 11.069 1.00 0.00 H new ATOM 0 HA LYS A 87 11.241 0.718 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.094 -1.388 12.984 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.655 -1.955 13.545 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.462 -0.981 15.412 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.834 0.041 15.030 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.331 1.542 13.705 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.964 0.531 14.129 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.344 1.007 16.535 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.734 1.994 16.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.773 3.345 16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.280 3.473 14.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.933 2.517 15.263 1.00 0.00 H new ATOM 1399 N SER A 88 14.092 -0.885 12.436 1.00 0.00 N ATOM 1400 CA SER A 88 15.477 -0.747 12.872 1.00 0.00 C ATOM 1401 C SER A 88 16.358 -0.077 11.815 1.00 0.00 C ATOM 1402 O SER A 88 17.312 0.628 12.147 1.00 0.00 O ATOM 1403 CB SER A 88 16.041 -2.120 13.234 1.00 0.00 C ATOM 1404 OG SER A 88 15.246 -2.739 14.234 1.00 0.00 O ATOM 0 H SER A 88 13.885 -1.759 11.953 1.00 0.00 H new ATOM 0 HA SER A 88 15.483 -0.100 13.749 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.074 -2.751 12.346 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.066 -2.016 13.590 1.00 0.00 H new ATOM 0 HG SER A 88 15.621 -3.618 14.452 1.00 0.00 H new ATOM 1410 N ARG A 89 16.047 -0.298 10.549 1.00 0.00 N ATOM 1411 CA ARG A 89 16.861 0.245 9.467 1.00 0.00 C ATOM 1412 C ARG A 89 16.252 1.501 8.856 1.00 0.00 C ATOM 1413 O ARG A 89 16.980 2.406 8.450 1.00 0.00 O ATOM 1414 CB ARG A 89 17.064 -0.806 8.374 1.00 0.00 C ATOM 1415 CG ARG A 89 18.151 -1.816 8.691 1.00 0.00 C ATOM 1416 CD ARG A 89 19.503 -1.133 8.776 1.00 0.00 C ATOM 1417 NE ARG A 89 20.605 -2.083 8.891 1.00 0.00 N ATOM 1418 CZ ARG A 89 21.781 -1.923 8.294 1.00 0.00 C ATOM 1419 NH1 ARG A 89 21.989 -0.877 7.503 1.00 0.00 N ATOM 1420 NH2 ARG A 89 22.746 -2.814 8.477 1.00 0.00 N ATOM 0 H ARG A 89 15.243 -0.846 10.243 1.00 0.00 H new ATOM 0 HA ARG A 89 17.822 0.519 9.902 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.125 -1.335 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 89 17.310 -0.302 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.929 -2.314 9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.174 -2.587 7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.651 -0.516 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 89 19.514 -0.463 9.636 1.00 0.00 H new ATOM 0 HE ARG A 89 20.464 -2.917 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 89 21.245 -0.195 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 89 22.892 -0.755 7.045 1.00 0.00 H new ATOM 0 HH21 ARG A 89 22.586 -3.623 9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 89 23.648 -2.690 8.018 1.00 0.00 H new ATOM 1434 N GLU A 90 14.924 1.556 8.827 1.00 0.00 N ATOM 1435 CA GLU A 90 14.195 2.565 8.059 1.00 0.00 C ATOM 1436 C GLU A 90 14.566 2.432 6.586 1.00 0.00 C ATOM 1437 O GLU A 90 15.348 3.213 6.038 1.00 0.00 O ATOM 1438 CB GLU A 90 14.457 3.989 8.574 1.00 0.00 C ATOM 1439 CG GLU A 90 13.577 5.044 7.914 1.00 0.00 C ATOM 1440 CD GLU A 90 13.816 6.437 8.460 1.00 0.00 C ATOM 1441 OE1 GLU A 90 14.793 7.086 8.033 1.00 0.00 O ATOM 1442 OE2 GLU A 90 13.029 6.888 9.319 1.00 0.00 O ATOM 0 H GLU A 90 14.323 0.906 9.333 1.00 0.00 H new ATOM 0 HA GLU A 90 13.126 2.390 8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 90 14.294 4.013 9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 90 15.504 4.242 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 90 13.762 5.044 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.530 4.778 8.057 1.00 0.00 H new ATOM 1449 N ILE A 91 14.028 1.393 5.967 1.00 0.00 N ATOM 1450 CA ILE A 91 14.338 1.066 4.585 1.00 0.00 C ATOM 1451 C ILE A 91 13.415 1.805 3.630 1.00 0.00 C ATOM 1452 O ILE A 91 12.399 2.365 4.041 1.00 0.00 O ATOM 1453 CB ILE A 91 14.208 -0.451 4.323 1.00 0.00 C ATOM 1454 CG1 ILE A 91 12.789 -0.929 4.657 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.240 -1.220 5.136 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.540 -2.391 4.344 1.00 0.00 C ATOM 0 H ILE A 91 13.366 0.754 6.407 1.00 0.00 H new ATOM 0 HA ILE A 91 15.369 1.374 4.411 1.00 0.00 H new ATOM 0 HB ILE A 91 14.395 -0.641 3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 91 12.599 -0.758 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.073 -0.322 4.103 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.135 -2.287 4.940 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.241 -0.896 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.083 -1.029 6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.515 -2.650 4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.696 -2.567 3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.230 -3.009 4.919 1.00 0.00 H new ATOM 1468 N THR A 92 13.773 1.799 2.354 1.00 0.00 N ATOM 1469 CA THR A 92 12.945 2.403 1.327 1.00 0.00 C ATOM 1470 C THR A 92 11.616 1.655 1.214 1.00 0.00 C ATOM 1471 O THR A 92 11.582 0.423 1.282 1.00 0.00 O ATOM 1472 CB THR A 92 13.666 2.378 -0.031 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.057 2.685 0.155 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.049 3.385 -0.993 1.00 0.00 C ATOM 0 H THR A 92 14.636 1.380 2.007 1.00 0.00 H new ATOM 0 HA THR A 92 12.753 3.439 1.607 1.00 0.00 H new ATOM 0 HB THR A 92 13.560 1.381 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.515 2.667 -0.711 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.576 3.348 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 92 11.998 3.141 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.130 4.387 -0.572 1.00 0.00 H new ATOM 1482 N PHE A 93 10.533 2.405 1.037 1.00 0.00 N ATOM 1483 CA PHE A 93 9.188 1.838 0.966 1.00 0.00 C ATOM 1484 C PHE A 93 9.097 0.774 -0.131 1.00 0.00 C ATOM 1485 O PHE A 93 8.335 -0.185 -0.023 1.00 0.00 O ATOM 1486 CB PHE A 93 8.176 2.961 0.709 1.00 0.00 C ATOM 1487 CG PHE A 93 6.741 2.560 0.897 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.288 2.123 2.130 1.00 0.00 C ATOM 1489 CD2 PHE A 93 5.842 2.640 -0.156 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.963 1.769 2.311 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.518 2.286 0.021 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.078 1.851 1.254 1.00 0.00 C ATOM 0 H PHE A 93 10.561 3.420 0.939 1.00 0.00 H new ATOM 0 HA PHE A 93 8.960 1.354 1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.398 3.793 1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.308 3.326 -0.310 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.976 2.058 2.960 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.180 2.982 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.621 1.429 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 93 3.827 2.350 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.043 1.575 1.392 1.00 0.00 H new ATOM 1502 N GLN A 94 9.894 0.953 -1.177 1.00 0.00 N ATOM 1503 CA GLN A 94 9.932 0.018 -2.296 1.00 0.00 C ATOM 1504 C GLN A 94 10.419 -1.361 -1.851 1.00 0.00 C ATOM 1505 O GLN A 94 9.869 -2.386 -2.260 1.00 0.00 O ATOM 1506 CB GLN A 94 10.842 0.565 -3.397 1.00 0.00 C ATOM 1507 CG GLN A 94 10.419 1.937 -3.896 1.00 0.00 C ATOM 1508 CD GLN A 94 11.324 2.484 -4.984 1.00 0.00 C ATOM 1509 OE1 GLN A 94 10.877 3.229 -5.854 1.00 0.00 O ATOM 1510 NE2 GLN A 94 12.600 2.127 -4.944 1.00 0.00 N ATOM 0 H GLN A 94 10.529 1.745 -1.274 1.00 0.00 H new ATOM 0 HA GLN A 94 8.919 -0.092 -2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.863 0.621 -3.021 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.849 -0.133 -4.234 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.399 1.879 -4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.408 2.634 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.933 1.507 -4.206 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.249 2.473 -5.651 1.00 0.00 H new ATOM 1519 N GLU A 95 11.437 -1.378 -0.998 1.00 0.00 N ATOM 1520 CA GLU A 95 12.025 -2.627 -0.526 1.00 0.00 C ATOM 1521 C GLU A 95 11.058 -3.322 0.429 1.00 0.00 C ATOM 1522 O GLU A 95 10.876 -4.542 0.386 1.00 0.00 O ATOM 1523 CB GLU A 95 13.358 -2.335 0.178 1.00 0.00 C ATOM 1524 CG GLU A 95 14.440 -3.380 -0.063 1.00 0.00 C ATOM 1525 CD GLU A 95 14.079 -4.749 0.470 1.00 0.00 C ATOM 1526 OE1 GLU A 95 14.094 -4.934 1.705 1.00 0.00 O ATOM 1527 OE2 GLU A 95 13.785 -5.649 -0.342 1.00 0.00 O ATOM 0 H GLU A 95 11.874 -0.538 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 95 12.213 -3.286 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 95 13.726 -1.365 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.179 -2.256 1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.632 -3.454 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.367 -3.048 0.405 1.00 0.00 H new ATOM 1534 N TYR A 96 10.414 -2.522 1.272 1.00 0.00 N ATOM 1535 CA TYR A 96 9.423 -3.020 2.216 1.00 0.00 C ATOM 1536 C TYR A 96 8.325 -3.788 1.480 1.00 0.00 C ATOM 1537 O TYR A 96 7.937 -4.888 1.884 1.00 0.00 O ATOM 1538 CB TYR A 96 8.837 -1.838 3.003 1.00 0.00 C ATOM 1539 CG TYR A 96 7.775 -2.209 4.019 1.00 0.00 C ATOM 1540 CD1 TYR A 96 8.107 -2.902 5.179 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.445 -1.853 3.828 1.00 0.00 C ATOM 1542 CE1 TYR A 96 7.144 -3.232 6.114 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.476 -2.181 4.759 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.831 -2.870 5.900 1.00 0.00 C ATOM 1545 OH TYR A 96 4.873 -3.192 6.835 1.00 0.00 O ATOM 0 H TYR A 96 10.564 -1.514 1.319 1.00 0.00 H new ATOM 0 HA TYR A 96 9.897 -3.709 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.649 -1.326 3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.410 -1.126 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.134 -3.187 5.352 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.163 -1.311 2.937 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.419 -3.771 7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.447 -1.899 4.593 1.00 0.00 H new ATOM 0 HH TYR A 96 4.000 -2.865 6.534 1.00 0.00 H new ATOM 1555 N ARG A 97 7.858 -3.225 0.372 1.00 0.00 N ATOM 1556 CA ARG A 97 6.780 -3.833 -0.395 1.00 0.00 C ATOM 1557 C ARG A 97 7.259 -5.062 -1.165 1.00 0.00 C ATOM 1558 O ARG A 97 6.477 -5.977 -1.429 1.00 0.00 O ATOM 1559 CB ARG A 97 6.159 -2.822 -1.355 1.00 0.00 C ATOM 1560 CG ARG A 97 5.610 -1.590 -0.657 1.00 0.00 C ATOM 1561 CD ARG A 97 4.668 -0.818 -1.560 1.00 0.00 C ATOM 1562 NE ARG A 97 3.467 -1.595 -1.865 1.00 0.00 N ATOM 1563 CZ ARG A 97 2.235 -1.220 -1.529 1.00 0.00 C ATOM 1564 NH1 ARG A 97 2.033 -0.053 -0.927 1.00 0.00 N ATOM 1565 NH2 ARG A 97 1.202 -2.002 -1.806 1.00 0.00 N ATOM 0 H ARG A 97 8.209 -2.349 -0.014 1.00 0.00 H new ATOM 0 HA ARG A 97 6.020 -4.156 0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.909 -2.514 -2.083 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.355 -3.305 -1.910 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.085 -1.888 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.434 -0.945 -0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.385 0.118 -1.079 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.180 -0.558 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 97 3.580 -2.477 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.823 0.558 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.088 0.232 -0.671 1.00 0.00 H new ATOM 0 HH21 ARG A 97 1.350 -2.894 -2.278 1.00 0.00 H new ATOM 0 HH22 ARG A 97 0.259 -1.712 -1.547 1.00 0.00 H new ATOM 1579 N ARG A 98 8.541 -5.084 -1.519 1.00 0.00 N ATOM 1580 CA ARG A 98 9.113 -6.233 -2.215 1.00 0.00 C ATOM 1581 C ARG A 98 8.969 -7.495 -1.379 1.00 0.00 C ATOM 1582 O ARG A 98 8.527 -8.533 -1.870 1.00 0.00 O ATOM 1583 CB ARG A 98 10.593 -6.024 -2.543 1.00 0.00 C ATOM 1584 CG ARG A 98 10.853 -5.169 -3.771 1.00 0.00 C ATOM 1585 CD ARG A 98 12.285 -5.348 -4.255 1.00 0.00 C ATOM 1586 NE ARG A 98 12.570 -4.600 -5.481 1.00 0.00 N ATOM 1587 CZ ARG A 98 12.183 -4.974 -6.704 1.00 0.00 C ATOM 1588 NH1 ARG A 98 11.426 -6.055 -6.871 1.00 0.00 N ATOM 1589 NH2 ARG A 98 12.564 -4.259 -7.758 1.00 0.00 N ATOM 0 H ARG A 98 9.199 -4.326 -1.337 1.00 0.00 H new ATOM 0 HA ARG A 98 8.561 -6.341 -3.148 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.080 -5.562 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.061 -6.998 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.158 -5.443 -4.565 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.671 -4.120 -3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 98 12.971 -5.026 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG A 98 12.475 -6.407 -4.429 1.00 0.00 H new ATOM 0 HE ARG A 98 13.101 -3.733 -5.396 1.00 0.00 H new ATOM 0 HH11 ARG A 98 11.137 -6.605 -6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 98 11.135 -6.334 -7.808 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.147 -3.432 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.273 -4.537 -8.695 1.00 0.00 H new ATOM 1603 N ASN A 99 9.335 -7.396 -0.110 1.00 0.00 N ATOM 1604 CA ASN A 99 9.298 -8.550 0.778 1.00 0.00 C ATOM 1605 C ASN A 99 7.869 -8.888 1.171 1.00 0.00 C ATOM 1606 O ASN A 99 7.568 -10.029 1.514 1.00 0.00 O ATOM 1607 CB ASN A 99 10.156 -8.312 2.017 1.00 0.00 C ATOM 1608 CG ASN A 99 11.615 -8.130 1.662 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.367 -9.099 1.550 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.023 -6.888 1.479 1.00 0.00 N ATOM 0 H ASN A 99 9.660 -6.534 0.327 1.00 0.00 H new ATOM 0 HA ASN A 99 9.711 -9.401 0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.797 -7.428 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.050 -9.155 2.700 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.996 -6.701 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.366 -6.115 1.582 1.00 0.00 H new ATOM 1617 N LEU A 100 6.990 -7.898 1.119 1.00 0.00 N ATOM 1618 CA LEU A 100 5.566 -8.145 1.304 1.00 0.00 C ATOM 1619 C LEU A 100 5.041 -9.049 0.197 1.00 0.00 C ATOM 1620 O LEU A 100 4.302 -9.998 0.454 1.00 0.00 O ATOM 1621 CB LEU A 100 4.790 -6.829 1.332 1.00 0.00 C ATOM 1622 CG LEU A 100 4.967 -6.019 2.613 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.342 -4.648 2.465 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.349 -6.757 3.788 1.00 0.00 C ATOM 0 H LEU A 100 7.234 -6.922 0.951 1.00 0.00 H new ATOM 0 HA LEU A 100 5.423 -8.646 2.262 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.103 -6.219 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.730 -7.044 1.196 1.00 0.00 H new ATOM 0 HG LEU A 100 6.033 -5.892 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.478 -4.085 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.820 -4.117 1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.277 -4.754 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.481 -6.170 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.285 -6.907 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.837 -7.725 3.907 1.00 0.00 H new ATOM 1636 N ALA A 101 5.451 -8.762 -1.034 1.00 0.00 N ATOM 1637 CA ALA A 101 5.083 -9.586 -2.179 1.00 0.00 C ATOM 1638 C ALA A 101 5.663 -10.992 -2.040 1.00 0.00 C ATOM 1639 O ALA A 101 5.079 -11.966 -2.509 1.00 0.00 O ATOM 1640 CB ALA A 101 5.558 -8.938 -3.473 1.00 0.00 C ATOM 0 H ALA A 101 6.040 -7.962 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 101 3.996 -9.667 -2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.276 -9.565 -4.319 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.096 -7.956 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.642 -8.828 -3.448 1.00 0.00 H new ATOM 1646 N LYS A 102 6.809 -11.086 -1.377 1.00 0.00 N ATOM 1647 CA LYS A 102 7.447 -12.375 -1.120 1.00 0.00 C ATOM 1648 C LYS A 102 6.657 -13.173 -0.085 1.00 0.00 C ATOM 1649 O LYS A 102 6.664 -14.402 -0.096 1.00 0.00 O ATOM 1650 CB LYS A 102 8.880 -12.168 -0.620 1.00 0.00 C ATOM 1651 CG LYS A 102 9.778 -11.420 -1.591 1.00 0.00 C ATOM 1652 CD LYS A 102 11.126 -11.118 -0.960 1.00 0.00 C ATOM 1653 CE LYS A 102 11.999 -10.271 -1.868 1.00 0.00 C ATOM 1654 NZ LYS A 102 13.295 -9.923 -1.227 1.00 0.00 N ATOM 0 H LYS A 102 7.318 -10.284 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 102 7.468 -12.934 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.848 -11.621 0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.323 -13.141 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.920 -12.015 -2.493 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.297 -10.490 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 102 10.976 -10.599 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.638 -12.053 -0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.187 -10.810 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.468 -9.357 -2.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.740 -9.140 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.129 -9.635 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.924 -10.751 -1.244 1.00 0.00 H new ATOM 1668 N ALA A 103 5.982 -12.463 0.811 1.00 0.00 N ATOM 1669 CA ALA A 103 5.194 -13.100 1.863 1.00 0.00 C ATOM 1670 C ALA A 103 3.825 -13.517 1.339 1.00 0.00 C ATOM 1671 O ALA A 103 3.080 -14.233 2.011 1.00 0.00 O ATOM 1672 CB ALA A 103 5.039 -12.162 3.051 1.00 0.00 C ATOM 0 H ALA A 103 5.964 -11.443 0.831 1.00 0.00 H new ATOM 0 HA ALA A 103 5.723 -13.995 2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.449 -12.651 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 103 6.023 -11.911 3.447 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.533 -11.251 2.732 1.00 0.00 H new ATOM 1678 N GLY A 104 3.501 -13.062 0.138 1.00 0.00 N ATOM 1679 CA GLY A 104 2.239 -13.410 -0.467 1.00 0.00 C ATOM 1680 C GLY A 104 1.229 -12.289 -0.399 1.00 0.00 C ATOM 1681 O GLY A 104 0.058 -12.486 -0.715 1.00 0.00 O ATOM 0 H GLY A 104 4.095 -12.456 -0.428 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.404 -13.682 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.833 -14.290 0.032 1.00 0.00 H new ATOM 1685 N VAL A 105 1.675 -11.106 0.012 1.00 0.00 N ATOM 1686 CA VAL A 105 0.791 -9.954 0.089 1.00 0.00 C ATOM 1687 C VAL A 105 0.465 -9.448 -1.311 1.00 0.00 C ATOM 1688 O VAL A 105 1.264 -8.758 -1.944 1.00 0.00 O ATOM 1689 CB VAL A 105 1.396 -8.811 0.932 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.450 -7.620 0.988 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.717 -9.299 2.333 1.00 0.00 C ATOM 0 H VAL A 105 2.638 -10.923 0.295 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.124 -10.280 0.584 1.00 0.00 H new ATOM 0 HB VAL A 105 2.321 -8.489 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.898 -6.827 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.268 -7.252 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.494 -7.926 1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 105 2.143 -8.481 2.914 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.804 -9.650 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.435 -10.117 2.278 1.00 0.00 H new ATOM 1701 N PHE A 106 -0.705 -9.828 -1.790 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.150 -9.474 -3.125 1.00 0.00 C ATOM 1703 C PHE A 106 -2.061 -8.256 -3.088 1.00 0.00 C ATOM 1704 O PHE A 106 -2.075 -7.445 -4.019 1.00 0.00 O ATOM 1705 CB PHE A 106 -1.881 -10.670 -3.745 1.00 0.00 C ATOM 1706 CG PHE A 106 -2.672 -10.347 -4.984 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -2.038 -10.157 -6.199 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -4.051 -10.237 -4.927 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -2.765 -9.862 -7.335 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -4.786 -9.943 -6.060 1.00 0.00 C ATOM 1711 CZ PHE A 106 -4.140 -9.754 -7.266 1.00 0.00 C ATOM 0 H PHE A 106 -1.374 -10.391 -1.264 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.282 -9.222 -3.734 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -1.149 -11.440 -3.988 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.555 -11.093 -3.000 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -0.963 -10.240 -6.259 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.559 -10.383 -3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.258 -9.716 -8.278 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.861 -9.861 -6.002 1.00 0.00 H new ATOM 0 HZ PHE A 106 -4.709 -9.522 -8.154 1.00 0.00 H new ATOM 1721 N ARG A 107 -2.797 -8.109 -2.000 1.00 0.00 N ATOM 1722 CA ARG A 107 -3.796 -7.063 -1.900 1.00 0.00 C ATOM 1723 C ARG A 107 -3.550 -6.183 -0.680 1.00 0.00 C ATOM 1724 O ARG A 107 -3.800 -6.584 0.457 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.193 -7.684 -1.848 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.320 -6.668 -1.841 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.674 -7.350 -1.921 1.00 0.00 C ATOM 1728 NE ARG A 107 -7.819 -8.143 -3.143 1.00 0.00 N ATOM 1729 CZ ARG A 107 -8.820 -8.993 -3.368 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.771 -9.160 -2.457 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -8.875 -9.675 -4.507 1.00 0.00 N ATOM 0 H ARG A 107 -2.720 -8.702 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.723 -6.428 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.318 -8.344 -2.706 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.271 -8.304 -0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.266 -6.067 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.203 -5.986 -2.683 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.806 -7.995 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.462 -6.597 -1.882 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.109 -8.038 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.737 -8.637 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.536 -9.811 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.149 -9.549 -5.213 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.643 -10.325 -4.676 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.040 -4.992 -0.938 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.791 -4.002 0.095 1.00 0.00 C ATOM 1747 C TRP A 108 -4.003 -3.086 0.219 1.00 0.00 C ATOM 1748 O TRP A 108 -4.282 -2.293 -0.676 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.529 -3.204 -0.271 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.211 -2.031 0.616 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.955 -0.899 0.785 1.00 0.00 C ATOM 1752 CD2 TRP A 108 -0.036 -1.854 1.412 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -1.327 -0.045 1.655 1.00 0.00 N ATOM 1754 CE2 TRP A 108 -0.150 -0.607 2.056 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.093 -2.635 1.658 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 0.829 -0.120 2.918 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.064 -2.151 2.512 1.00 0.00 C ATOM 1758 CH2 TRP A 108 1.925 -0.907 3.138 1.00 0.00 C ATOM 0 H TRP A 108 -2.785 -4.682 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.629 -4.488 1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.677 -3.884 -0.260 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.635 -2.843 -1.294 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.902 -0.704 0.303 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.682 0.863 1.954 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.206 -3.601 1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 0.726 0.843 3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 2.947 -2.743 2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.699 -0.562 3.808 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.734 -3.211 1.311 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.912 -2.384 1.523 1.00 0.00 C ATOM 1771 C VAL A 109 -5.681 -1.407 2.667 1.00 0.00 C ATOM 1772 O VAL A 109 -5.247 -1.798 3.747 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.165 -3.240 1.822 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.392 -2.357 2.013 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.401 -4.251 0.712 1.00 0.00 C ATOM 0 H VAL A 109 -4.536 -3.872 2.062 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.087 -1.830 0.601 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.990 -3.784 2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.261 -2.981 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.224 -1.677 2.848 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.570 -1.780 1.105 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.287 -4.843 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.549 -3.727 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.536 -4.909 0.629 1.00 0.00 H new ATOM 1785 N THR A 110 -5.936 -0.135 2.419 1.00 0.00 N ATOM 1786 CA THR A 110 -5.837 0.868 3.466 1.00 0.00 C ATOM 1787 C THR A 110 -7.122 1.682 3.548 1.00 0.00 C ATOM 1788 O THR A 110 -7.457 2.435 2.628 1.00 0.00 O ATOM 1789 CB THR A 110 -4.640 1.809 3.244 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.435 1.041 3.136 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.505 2.805 4.387 1.00 0.00 C ATOM 0 H THR A 110 -6.212 0.228 1.506 1.00 0.00 H new ATOM 0 HA THR A 110 -5.682 0.339 4.407 1.00 0.00 H new ATOM 0 HB THR A 110 -4.811 2.364 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.454 0.517 2.308 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.651 3.457 4.203 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.412 3.406 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.355 2.267 5.323 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.841 1.509 4.642 1.00 0.00 N ATOM 1800 CA ASN A 111 -9.075 2.238 4.875 1.00 0.00 C ATOM 1801 C ASN A 111 -8.781 3.471 5.718 1.00 0.00 C ATOM 1802 O ASN A 111 -8.440 3.358 6.897 1.00 0.00 O ATOM 1803 CB ASN A 111 -10.096 1.342 5.578 1.00 0.00 C ATOM 1804 CG ASN A 111 -10.546 0.176 4.718 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -9.897 -0.869 4.679 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -11.673 0.335 4.045 1.00 0.00 N ATOM 0 H ASN A 111 -7.588 0.863 5.390 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.496 2.549 3.919 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.662 0.960 6.502 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.965 1.938 5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -12.033 -0.424 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -12.182 1.217 4.104 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.913 4.642 5.111 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.500 5.890 5.747 1.00 0.00 C ATOM 1815 C ILE A 112 -9.336 6.210 6.980 1.00 0.00 C ATOM 1816 O ILE A 112 -8.800 6.354 8.074 1.00 0.00 O ATOM 1817 CB ILE A 112 -8.561 7.072 4.757 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -7.645 6.803 3.560 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -8.177 8.380 5.442 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -6.202 6.531 3.939 1.00 0.00 C ATOM 0 H ILE A 112 -9.304 4.756 4.176 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.467 5.746 6.065 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.587 7.169 4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.031 5.949 3.004 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.679 7.662 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.228 9.197 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.866 8.577 6.263 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.162 8.303 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.617 6.350 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.796 7.393 4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -6.154 5.654 4.584 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.650 6.291 6.820 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.516 6.651 7.943 1.00 0.00 C ATOM 1834 C HIS A 113 -11.760 5.451 8.862 1.00 0.00 C ATOM 1835 O HIS A 113 -12.593 5.509 9.767 1.00 0.00 O ATOM 1836 CB HIS A 113 -12.844 7.267 7.458 1.00 0.00 C ATOM 1837 CG HIS A 113 -13.677 6.383 6.582 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -13.663 6.455 5.205 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.573 5.420 6.894 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -14.512 5.574 4.713 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -15.078 4.932 5.715 1.00 0.00 N ATOM 0 H HIS A 113 -11.137 6.116 5.941 1.00 0.00 H new ATOM 0 HA HIS A 113 -10.998 7.413 8.525 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -13.435 7.548 8.330 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -12.622 8.185 6.914 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -13.086 7.090 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.842 5.095 7.888 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -14.710 5.407 3.665 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.023 4.369 8.621 1.00 0.00 N ATOM 1851 CA GLU A 114 -11.026 3.216 9.516 1.00 0.00 C ATOM 1852 C GLU A 114 -9.686 3.131 10.245 1.00 0.00 C ATOM 1853 O GLU A 114 -9.571 2.488 11.295 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.270 1.918 8.742 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.561 1.902 7.944 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.796 2.043 8.809 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -14.031 1.175 9.671 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -14.552 3.012 8.610 1.00 0.00 O ATOM 0 H GLU A 114 -10.414 4.267 7.809 1.00 0.00 H new ATOM 0 HA GLU A 114 -11.834 3.344 10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -10.434 1.751 8.063 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.281 1.085 9.445 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.541 2.712 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -12.623 0.970 7.382 1.00 0.00 H new ATOM 1865 N GLN A 115 -8.675 3.783 9.662 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.327 3.845 10.226 1.00 0.00 C ATOM 1867 C GLN A 115 -6.685 2.460 10.282 1.00 0.00 C ATOM 1868 O GLN A 115 -5.976 2.126 11.235 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.360 4.475 11.619 1.00 0.00 C ATOM 1870 CG GLN A 115 -7.858 5.913 11.627 1.00 0.00 C ATOM 1871 CD GLN A 115 -6.979 6.847 10.816 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -5.780 6.635 10.685 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -7.574 7.896 10.275 1.00 0.00 N ATOM 0 H GLN A 115 -8.772 4.285 8.780 1.00 0.00 H new ATOM 0 HA GLN A 115 -6.719 4.470 9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.000 3.874 12.265 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.358 4.444 12.046 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -8.873 5.943 11.231 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -7.906 6.270 12.656 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -8.575 8.038 10.407 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -7.032 8.563 9.726 1.00 0.00 H new ATOM 1882 N LYS A 116 -6.907 1.664 9.244 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.408 0.294 9.218 1.00 0.00 C ATOM 1884 C LYS A 116 -5.706 -0.025 7.907 1.00 0.00 C ATOM 1885 O LYS A 116 -6.058 0.509 6.852 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.557 -0.696 9.426 1.00 0.00 C ATOM 1887 CG LYS A 116 -8.234 -0.584 10.780 1.00 0.00 C ATOM 1888 CD LYS A 116 -7.305 -0.996 11.910 1.00 0.00 C ATOM 1889 CE LYS A 116 -7.916 -0.693 13.269 1.00 0.00 C ATOM 1890 NZ LYS A 116 -8.012 0.772 13.514 1.00 0.00 N ATOM 0 H LYS A 116 -7.427 1.941 8.412 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.686 0.199 10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.302 -0.541 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.175 -1.710 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.565 0.443 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.125 -1.212 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -7.090 -2.062 11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.355 -0.471 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.909 -1.138 13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.312 -1.154 14.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -8.449 0.941 14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.060 1.190 13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -8.595 1.211 12.773 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.710 -0.897 7.986 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.039 -1.419 6.806 1.00 0.00 C ATOM 1906 C ARG A 117 -4.174 -2.936 6.794 1.00 0.00 C ATOM 1907 O ARG A 117 -3.615 -3.624 7.653 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.551 -1.043 6.774 1.00 0.00 C ATOM 1909 CG ARG A 117 -2.271 0.438 6.981 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.843 0.810 6.583 1.00 0.00 C ATOM 1911 NE ARG A 117 0.147 -0.157 7.066 1.00 0.00 N ATOM 1912 CZ ARG A 117 1.204 0.150 7.825 1.00 0.00 C ATOM 1913 NH1 ARG A 117 1.407 1.398 8.236 1.00 0.00 N ATOM 1914 NH2 ARG A 117 2.063 -0.802 8.164 1.00 0.00 N ATOM 0 H ARG A 117 -4.346 -1.261 8.867 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.510 -0.979 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.029 -1.610 7.545 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.132 -1.349 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.976 1.026 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.435 0.695 8.027 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.779 0.879 5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -0.605 1.797 6.979 1.00 0.00 H new ATOM 0 HE ARG A 117 0.020 -1.135 6.804 1.00 0.00 H new ATOM 0 HH11 ARG A 117 0.752 2.135 7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 117 2.217 1.619 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.915 -1.760 7.846 1.00 0.00 H new ATOM 0 HH22 ARG A 117 2.872 -0.576 8.743 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.922 -3.451 5.837 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.167 -4.880 5.744 1.00 0.00 C ATOM 1930 C TYR A 118 -4.288 -5.500 4.668 1.00 0.00 C ATOM 1931 O TYR A 118 -4.276 -5.048 3.521 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.639 -5.154 5.432 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.601 -4.666 6.493 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.781 -5.375 7.676 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.340 -3.504 6.305 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.674 -4.940 8.639 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.231 -3.061 7.264 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.395 -3.782 8.429 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.288 -3.348 9.385 1.00 0.00 O ATOM 0 H TYR A 118 -5.374 -2.898 5.108 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.922 -5.331 6.706 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.892 -4.680 4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.777 -6.227 5.299 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.215 -6.279 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.216 -2.938 5.394 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.806 -5.504 9.551 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.796 -2.155 7.102 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.712 -2.518 9.083 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.543 -6.527 5.046 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.659 -7.215 4.120 1.00 0.00 C ATOM 1951 C TYR A 119 -3.260 -8.552 3.718 1.00 0.00 C ATOM 1952 O TYR A 119 -3.245 -9.507 4.499 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.284 -7.433 4.757 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.567 -6.152 5.124 1.00 0.00 C ATOM 1955 CD1 TYR A 119 -0.953 -5.408 6.233 1.00 0.00 C ATOM 1956 CD2 TYR A 119 0.498 -5.690 4.365 1.00 0.00 C ATOM 1957 CE1 TYR A 119 -0.301 -4.240 6.570 1.00 0.00 C ATOM 1958 CE2 TYR A 119 1.156 -4.523 4.697 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.752 -3.803 5.799 1.00 0.00 C ATOM 1960 OH TYR A 119 1.406 -2.640 6.136 1.00 0.00 O ATOM 0 H TYR A 119 -3.534 -6.904 5.994 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.540 -6.596 3.231 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.402 -8.041 5.654 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.661 -8.001 4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -1.777 -5.750 6.841 1.00 0.00 H new ATOM 0 HD2 TYR A 119 0.818 -6.253 3.500 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.615 -3.672 7.433 1.00 0.00 H new ATOM 0 HE2 TYR A 119 1.983 -4.176 4.096 1.00 0.00 H new ATOM 0 HH TYR A 119 1.577 -2.115 5.327 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.808 -8.611 2.515 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.429 -9.829 2.019 1.00 0.00 C ATOM 1972 C TYR A 120 -3.532 -10.524 1.003 1.00 0.00 C ATOM 1973 O TYR A 120 -2.843 -9.874 0.212 1.00 0.00 O ATOM 1974 CB TYR A 120 -5.784 -9.529 1.366 1.00 0.00 C ATOM 1975 CG TYR A 120 -6.826 -8.953 2.301 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.506 -9.767 3.200 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.143 -7.600 2.272 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.468 -9.248 4.044 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.103 -7.076 3.115 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.762 -7.903 3.998 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.719 -7.381 4.838 1.00 0.00 O ATOM 0 H TYR A 120 -3.835 -7.828 1.862 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.580 -10.486 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.628 -8.831 0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.174 -10.450 0.933 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.278 -10.822 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.631 -6.949 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.987 -9.894 4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.336 -6.022 3.082 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.804 -6.418 4.679 1.00 0.00 H new ATOM 1991 N THR A 121 -3.539 -11.844 1.032 1.00 0.00 N ATOM 1992 CA THR A 121 -2.859 -12.635 0.021 1.00 0.00 C ATOM 1993 C THR A 121 -3.760 -12.758 -1.213 1.00 0.00 C ATOM 1994 O THR A 121 -4.861 -12.201 -1.234 1.00 0.00 O ATOM 1995 CB THR A 121 -2.478 -14.036 0.567 1.00 0.00 C ATOM 1996 OG1 THR A 121 -1.774 -14.800 -0.420 1.00 0.00 O ATOM 1997 CG2 THR A 121 -3.709 -14.806 1.009 1.00 0.00 C ATOM 0 H THR A 121 -4.011 -12.394 1.749 1.00 0.00 H new ATOM 0 HA THR A 121 -1.932 -12.133 -0.257 1.00 0.00 H new ATOM 0 HB THR A 121 -1.828 -13.878 1.428 1.00 0.00 H new ATOM 0 HG1 THR A 121 -0.958 -15.172 -0.025 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.410 -15.784 1.387 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.220 -14.253 1.797 1.00 0.00 H new ATOM 0 HG23 THR A 121 -4.382 -14.935 0.161 1.00 0.00 H new ATOM 2005 N PHE A 122 -3.303 -13.477 -2.234 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.061 -13.632 -3.481 1.00 0.00 C ATOM 2007 C PHE A 122 -5.408 -14.316 -3.234 1.00 0.00 C ATOM 2008 O PHE A 122 -6.338 -14.193 -4.028 1.00 0.00 O ATOM 2009 CB PHE A 122 -3.249 -14.425 -4.515 1.00 0.00 C ATOM 2010 CG PHE A 122 -2.921 -15.836 -4.095 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -1.821 -16.098 -3.295 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -3.715 -16.897 -4.504 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -1.518 -17.390 -2.910 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -3.416 -18.191 -4.121 1.00 0.00 C ATOM 2015 CZ PHE A 122 -2.315 -18.437 -3.324 1.00 0.00 C ATOM 0 H PHE A 122 -2.408 -13.965 -2.226 1.00 0.00 H new ATOM 0 HA PHE A 122 -4.254 -12.634 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -3.807 -14.457 -5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -2.319 -13.893 -4.716 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.193 -15.283 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.576 -16.710 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.658 -17.580 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.043 -19.009 -4.445 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.078 -19.448 -3.025 1.00 0.00 H new ATOM 2025 N ASP A 123 -5.505 -15.031 -2.122 1.00 0.00 N ATOM 2026 CA ASP A 123 -6.733 -15.726 -1.750 1.00 0.00 C ATOM 2027 C ASP A 123 -7.540 -14.885 -0.754 1.00 0.00 C ATOM 2028 O ASP A 123 -8.372 -15.400 -0.012 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.388 -17.092 -1.151 1.00 0.00 C ATOM 2030 CG ASP A 123 -7.606 -17.969 -0.954 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -8.346 -18.188 -1.935 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -7.825 -18.448 0.179 1.00 0.00 O ATOM 0 H ASP A 123 -4.742 -15.146 -1.455 1.00 0.00 H new ATOM 0 HA ASP A 123 -7.345 -15.876 -2.640 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.680 -17.602 -1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.890 -16.948 -0.192 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.255 -13.580 -0.754 1.00 0.00 N ATOM 2038 CA ASN A 124 -7.898 -12.587 0.125 1.00 0.00 C ATOM 2039 C ASN A 124 -7.905 -13.028 1.587 1.00 0.00 C ATOM 2040 O ASN A 124 -8.736 -12.586 2.384 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.320 -12.201 -0.350 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.364 -13.305 -0.240 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -10.625 -14.029 -1.201 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -10.978 -13.432 0.928 1.00 0.00 N ATOM 0 H ASN A 124 -6.557 -13.171 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.285 -11.688 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -9.659 -11.343 0.231 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.263 -11.879 -1.390 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -11.693 -14.148 1.053 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -10.735 -12.814 1.702 1.00 0.00 H new ATOM 2051 N SER A 125 -6.954 -13.880 1.938 1.00 0.00 N ATOM 2052 CA SER A 125 -6.756 -14.267 3.318 1.00 0.00 C ATOM 2053 C SER A 125 -6.026 -13.151 4.053 1.00 0.00 C ATOM 2054 O SER A 125 -4.961 -12.707 3.614 1.00 0.00 O ATOM 2055 CB SER A 125 -5.944 -15.558 3.395 1.00 0.00 C ATOM 2056 OG SER A 125 -6.421 -16.520 2.467 1.00 0.00 O ATOM 0 H SER A 125 -6.307 -14.316 1.280 1.00 0.00 H new ATOM 0 HA SER A 125 -7.726 -14.439 3.785 1.00 0.00 H new ATOM 0 HB2 SER A 125 -4.895 -15.343 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.998 -15.965 4.405 1.00 0.00 H new ATOM 0 HG SER A 125 -5.883 -17.336 2.536 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.605 -12.686 5.147 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.005 -11.610 5.920 1.00 0.00 C ATOM 2064 C LEU A 126 -4.756 -12.107 6.635 1.00 0.00 C ATOM 2065 O LEU A 126 -4.841 -12.922 7.557 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.011 -11.053 6.929 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.521 -9.856 7.750 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.129 -8.702 6.837 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.595 -9.416 8.731 1.00 0.00 C ATOM 0 H LEU A 126 -7.488 -13.035 5.520 1.00 0.00 H new ATOM 0 HA LEU A 126 -5.720 -10.809 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.914 -10.760 6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.293 -11.852 7.615 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.638 -10.161 8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.784 -7.862 7.440 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.329 -9.022 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.993 -8.395 6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.234 -8.565 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.492 -9.129 8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.830 -10.239 9.406 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.603 -11.628 6.197 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.333 -12.043 6.772 1.00 0.00 C ATOM 2083 C LEU A 127 -1.931 -11.121 7.915 1.00 0.00 C ATOM 2084 O LEU A 127 -1.722 -11.570 9.040 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.238 -12.050 5.701 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.483 -12.993 4.521 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.342 -12.894 3.517 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.648 -14.425 5.011 1.00 0.00 C ATOM 0 H LEU A 127 -3.520 -10.948 5.441 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.454 -13.053 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.122 -11.037 5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.294 -12.322 6.172 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.405 -12.695 4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.531 -13.571 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.272 -11.872 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.595 -13.169 4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.822 -15.083 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.743 -14.738 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.497 -14.481 5.692 1.00 0.00 H new ATOM 2100 N PHE A 128 -1.843 -9.832 7.627 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.392 -8.866 8.617 1.00 0.00 C ATOM 2102 C PHE A 128 -2.431 -7.762 8.776 1.00 0.00 C ATOM 2103 O PHE A 128 -3.108 -7.395 7.812 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.043 -8.276 8.186 1.00 0.00 C ATOM 2105 CG PHE A 128 0.731 -7.618 9.296 1.00 0.00 C ATOM 2106 CD1 PHE A 128 1.598 -8.361 10.076 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.606 -6.261 9.549 1.00 0.00 C ATOM 2108 CE1 PHE A 128 2.328 -7.771 11.087 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.332 -5.662 10.563 1.00 0.00 C ATOM 2110 CZ PHE A 128 2.195 -6.418 11.333 1.00 0.00 C ATOM 0 H PHE A 128 -2.077 -9.431 6.719 1.00 0.00 H new ATOM 0 HA PHE A 128 -1.266 -9.365 9.578 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.567 -9.071 7.756 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.216 -7.544 7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 128 1.705 -9.420 9.891 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -0.065 -5.665 8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 128 3.002 -8.366 11.685 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.224 -4.604 10.753 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.764 -5.953 12.125 1.00 0.00 H new ATOM 2120 N THR A 129 -2.574 -7.258 9.989 1.00 0.00 N ATOM 2121 CA THR A 129 -3.496 -6.169 10.263 1.00 0.00 C ATOM 2122 C THR A 129 -2.803 -5.079 11.074 1.00 0.00 C ATOM 2123 O THR A 129 -2.512 -5.258 12.258 1.00 0.00 O ATOM 2124 CB THR A 129 -4.740 -6.668 11.024 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.300 -7.800 10.348 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.788 -5.571 11.133 1.00 0.00 C ATOM 0 H THR A 129 -2.060 -7.588 10.806 1.00 0.00 H new ATOM 0 HA THR A 129 -3.818 -5.759 9.306 1.00 0.00 H new ATOM 0 HB THR A 129 -4.433 -6.955 12.030 1.00 0.00 H new ATOM 0 HG1 THR A 129 -5.867 -8.304 10.968 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.655 -5.949 11.674 1.00 0.00 H new ATOM 0 HG22 THR A 129 -5.369 -4.719 11.669 1.00 0.00 H new ATOM 0 HG23 THR A 129 -6.092 -5.257 10.134 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.524 -3.963 10.422 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.847 -2.846 11.061 1.00 0.00 C ATOM 2136 C GLU A 130 -2.800 -1.663 11.182 1.00 0.00 C ATOM 2137 O GLU A 130 -3.744 -1.539 10.402 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.601 -2.456 10.251 1.00 0.00 C ATOM 2139 CG GLU A 130 0.193 -1.296 10.836 1.00 0.00 C ATOM 2140 CD GLU A 130 0.775 -1.606 12.198 1.00 0.00 C ATOM 2141 OE1 GLU A 130 0.004 -1.646 13.180 1.00 0.00 O ATOM 2142 OE2 GLU A 130 2.007 -1.789 12.295 1.00 0.00 O ATOM 0 H GLU A 130 -2.758 -3.805 9.442 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.531 -3.141 12.062 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.053 -3.325 10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.908 -2.196 9.238 1.00 0.00 H new ATOM 0 HG2 GLU A 130 1.001 -1.035 10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.454 -0.422 10.914 1.00 0.00 H new ATOM 2149 N SER A 131 -2.566 -0.806 12.158 1.00 0.00 N ATOM 2150 CA SER A 131 -3.385 0.381 12.330 1.00 0.00 C ATOM 2151 C SER A 131 -2.507 1.623 12.276 1.00 0.00 C ATOM 2152 O SER A 131 -1.507 1.719 12.987 1.00 0.00 O ATOM 2153 CB SER A 131 -4.152 0.322 13.656 1.00 0.00 C ATOM 2154 OG SER A 131 -5.186 1.300 13.699 1.00 0.00 O ATOM 0 H SER A 131 -1.817 -0.908 12.843 1.00 0.00 H new ATOM 0 HA SER A 131 -4.114 0.426 11.521 1.00 0.00 H new ATOM 0 HB2 SER A 131 -4.582 -0.671 13.786 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.463 0.482 14.485 1.00 0.00 H new ATOM 0 HG SER A 131 -5.351 1.642 12.795 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.881 2.572 11.430 1.00 0.00 N ATOM 2161 CA ILE A 132 -2.118 3.803 11.266 1.00 0.00 C ATOM 2162 C ILE A 132 -2.552 4.849 12.287 1.00 0.00 C ATOM 2163 O ILE A 132 -2.821 5.995 11.936 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.271 4.373 9.838 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -3.749 4.414 9.425 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -1.461 3.545 8.852 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -3.989 5.013 8.056 1.00 0.00 C ATOM 0 H ILE A 132 -3.713 2.513 10.843 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.068 3.560 11.430 1.00 0.00 H new ATOM 0 HB ILE A 132 -1.889 5.394 9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.149 3.400 9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.307 4.989 10.165 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -1.577 3.957 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -0.409 3.569 9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -1.816 2.515 8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -5.057 5.006 7.838 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -3.622 6.039 8.038 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -3.461 4.426 7.304 1.00 0.00 H new ATOM 2179 N GLN A 133 -2.578 4.430 13.556 1.00 0.00 N ATOM 2180 CA GLN A 133 -3.070 5.254 14.663 1.00 0.00 C ATOM 2181 C GLN A 133 -4.592 5.375 14.596 1.00 0.00 C ATOM 2182 O GLN A 133 -5.168 5.570 13.532 1.00 0.00 O ATOM 2183 CB GLN A 133 -2.411 6.644 14.664 1.00 0.00 C ATOM 2184 CG GLN A 133 -2.867 7.550 15.802 1.00 0.00 C ATOM 2185 CD GLN A 133 -2.572 6.969 17.169 1.00 0.00 C ATOM 2186 OE1 GLN A 133 -3.391 6.253 17.742 1.00 0.00 O ATOM 2187 NE2 GLN A 133 -1.406 7.281 17.705 1.00 0.00 N ATOM 0 H GLN A 133 -2.257 3.506 13.845 1.00 0.00 H new ATOM 0 HA GLN A 133 -2.799 4.762 15.597 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -1.330 6.521 14.723 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -2.624 7.136 13.715 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -2.374 8.518 15.710 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -3.939 7.728 15.711 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -0.754 7.878 17.196 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -1.157 6.925 18.628 1.00 0.00 H new TER 2196 GLN A 133