USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1004 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: B 98 GLN : amide:sc=-0.000191 K(o=1.3,f=-3.7) USER MOD Set 1.2: B 102 LYS NZ :NH3+ -163:sc= 1.27 (180deg=0.483) USER MOD Set 2.1: B 14 LYS NZ :NH3+ -162:sc= 1.26 (180deg=-0.802!) USER MOD Set 2.2: B 81 ASN : amide:sc= 1.76 K(o=4.1,f=-7.3!) USER MOD Set 2.3: B 84 THR OG1 : rot 46:sc= 1.06 USER MOD Set 3.1: B 56 SER OG : rot 150:sc= -0.454 USER MOD Set 3.2: B 64 GLN : amide:sc= -2.25! C(o=-2.7!,f=-3.4!) USER MOD Set 4.1: A 392 TYR OH : rot 130:sc= 0.283 USER MOD Set 4.2: B 54 LYS NZ :NH3+ 139:sc= 2.02 (180deg=-1.38) USER MOD Set 4.3: B 66 GLN : amide:sc= -1.47! C(o=-10!,f=-15!) USER MOD Set 4.4: B 74 THR OG1 : rot -171:sc= 0.29 USER MOD Set 4.5: B 76 ASN : amide:sc= -11.4! C(o=-10!,f=-15!) USER MOD Set 5.1: B 45 HIS : no HE2:sc= -2 K(o=-2,f=-4) USER MOD Set 5.2: B 75 THR OG1 : rot 170:sc= 0 USER MOD Set 6.1: B 20 GLN :FLIP amide:sc= -0.935 F(o=-3.1!,f=-1.8) USER MOD Set 6.2: B 38 LYS NZ :NH3+ -145:sc= -0.906 (180deg=-1.39) USER MOD Set 7.1: B 17 GLN : amide:sc= -0.651 K(o=2.3,f=-6) USER MOD Set 7.2: B 18 LYS NZ :NH3+ -153:sc= 2.96 (180deg=-1.33) USER MOD Set 8.1: B 4 SER OG : rot 180:sc= 0.00256 USER MOD Set 8.2: B 5 SER OG : rot 180:sc= 0 USER MOD Single : A 404 ASN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 406 ASN : amide:sc=-0.00667 X(o=-0.0067,f=0.00038) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 173:sc= 2.29 (180deg=2.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= -0.188 USER MOD Single : B 13 LYS NZ :NH3+ -179:sc= 2.26 (180deg=2.22) USER MOD Single : B 19 LYS NZ :NH3+ -143:sc= 1.11 (180deg=-0.929) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 160:sc= -0.992 (180deg=-1.79!) USER MOD Single : B 42 THR OG1 : rot 170:sc= 0.0143 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 154:sc= -0.227 (180deg=-0.853) USER MOD Single : B 47 TYR OH : rot 138:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ -156:sc= 2.13 (180deg=2.03) USER MOD Single : B 52 CYS SG : rot 113:sc= -4.57! USER MOD Single : B 53 GLN : amide:sc= -5.37! C(o=-5.4!,f=-8.6!) USER MOD Single : B 60 LYS NZ :NH3+ 173:sc= 2.57 (180deg=1.91) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= -2.23! (180deg=-2.23!) USER MOD Single : B 70 HIS : no HE2:sc= -5.73! C(o=-5.7!,f=-10!) USER MOD Single : B 78 HIS : no HD1:sc= -4.55! X(o=-4.5!,f=-4.1) USER MOD Single : B 80 SER OG : rot 171:sc= 0.624 USER MOD Single : B 83 SER OG : rot 76:sc= 1.22 USER MOD Single : B 87 LYS NZ :NH3+ -171:sc= 1.19 (180deg=1.13) USER MOD Single : B 93 LYS NZ :NH3+ 132:sc= 2.41 (180deg=0.54) USER MOD Single : B 97 GLN : amide:sc= -0.798 K(o=-0.8,f=-2.5) USER MOD Single : B 104 LYS NZ :NH3+ -158:sc= -1.05! (180deg=-4.68!) USER MOD Single : B 106 LYS NZ :NH3+ -175:sc= 0.603 (180deg=0.5) USER MOD Single : B 108 ASN : amide:sc= 0.251 K(o=0.25,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 392 3.667 8.113 15.125 1.00 0.00 N ATOM 2 CA TYR A 392 3.438 7.481 16.447 1.00 0.00 C ATOM 3 C TYR A 392 4.482 6.392 16.690 1.00 0.00 C ATOM 4 O TYR A 392 5.617 6.517 16.244 1.00 0.00 O ATOM 5 CB TYR A 392 2.002 6.920 16.551 1.00 0.00 C ATOM 6 CG TYR A 392 1.675 5.746 15.636 1.00 0.00 C ATOM 7 CD1 TYR A 392 1.168 4.563 16.158 1.00 0.00 C ATOM 8 CD2 TYR A 392 1.852 5.825 14.262 1.00 0.00 C ATOM 9 CE1 TYR A 392 0.848 3.499 15.336 1.00 0.00 C ATOM 10 CE2 TYR A 392 1.538 4.766 13.436 1.00 0.00 C ATOM 11 CZ TYR A 392 1.035 3.603 13.975 1.00 0.00 C ATOM 12 OH TYR A 392 0.708 2.546 13.154 1.00 0.00 O ATOM 0 HA TYR A 392 3.545 8.239 17.223 1.00 0.00 H new ATOM 0 HB2 TYR A 392 1.828 6.611 17.582 1.00 0.00 H new ATOM 0 HB3 TYR A 392 1.302 7.727 16.337 1.00 0.00 H new ATOM 0 HD1 TYR A 392 1.021 4.473 17.224 1.00 0.00 H new ATOM 0 HD2 TYR A 392 2.244 6.734 13.831 1.00 0.00 H new ATOM 0 HE1 TYR A 392 0.452 2.588 15.760 1.00 0.00 H new ATOM 0 HE2 TYR A 392 1.686 4.849 12.369 1.00 0.00 H new ATOM 0 HH TYR A 392 0.148 2.866 12.416 1.00 0.00 H new ATOM 24 N VAL A 393 4.120 5.343 17.416 1.00 0.00 N ATOM 25 CA VAL A 393 5.051 4.256 17.668 1.00 0.00 C ATOM 26 C VAL A 393 5.147 3.370 16.426 1.00 0.00 C ATOM 27 O VAL A 393 4.133 2.956 15.866 1.00 0.00 O ATOM 28 CB VAL A 393 4.644 3.422 18.910 1.00 0.00 C ATOM 29 CG1 VAL A 393 3.231 2.872 18.772 1.00 0.00 C ATOM 30 CG2 VAL A 393 5.639 2.298 19.158 1.00 0.00 C ATOM 0 H VAL A 393 3.198 5.223 17.836 1.00 0.00 H new ATOM 0 HA VAL A 393 6.029 4.686 17.883 1.00 0.00 H new ATOM 0 HB VAL A 393 4.658 4.088 19.773 1.00 0.00 H new ATOM 0 HG11 VAL A 393 2.978 2.292 19.660 1.00 0.00 H new ATOM 0 HG12 VAL A 393 2.528 3.698 18.665 1.00 0.00 H new ATOM 0 HG13 VAL A 393 3.174 2.231 17.892 1.00 0.00 H new ATOM 0 HG21 VAL A 393 5.332 1.727 20.034 1.00 0.00 H new ATOM 0 HG22 VAL A 393 5.669 1.641 18.289 1.00 0.00 H new ATOM 0 HG23 VAL A 393 6.629 2.720 19.328 1.00 0.00 H new ATOM 40 N GLY A 394 6.366 3.119 15.975 1.00 0.00 N ATOM 41 CA GLY A 394 6.561 2.303 14.793 1.00 0.00 C ATOM 42 C GLY A 394 6.606 3.152 13.539 1.00 0.00 C ATOM 43 O GLY A 394 7.628 3.212 12.860 1.00 0.00 O ATOM 0 H GLY A 394 7.224 3.465 16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 394 7.489 1.739 14.887 1.00 0.00 H new ATOM 0 HA3 GLY A 394 5.753 1.576 14.713 1.00 0.00 H new ATOM 47 N GLU A 395 5.494 3.813 13.243 1.00 0.00 N ATOM 48 CA GLU A 395 5.406 4.684 12.080 1.00 0.00 C ATOM 49 C GLU A 395 5.647 6.129 12.512 1.00 0.00 C ATOM 50 O GLU A 395 5.145 6.561 13.549 1.00 0.00 O ATOM 51 CB GLU A 395 4.045 4.529 11.398 1.00 0.00 C ATOM 52 CG GLU A 395 3.896 5.341 10.123 1.00 0.00 C ATOM 53 CD GLU A 395 4.984 5.055 9.108 1.00 0.00 C ATOM 54 OE1 GLU A 395 4.658 4.631 7.978 1.00 0.00 O ATOM 55 OE2 GLU A 395 6.167 5.283 9.422 1.00 0.00 O ATOM 0 H GLU A 395 4.638 3.761 13.795 1.00 0.00 H new ATOM 0 HA GLU A 395 6.170 4.403 11.356 1.00 0.00 H new ATOM 0 HB2 GLU A 395 3.884 3.476 11.167 1.00 0.00 H new ATOM 0 HB3 GLU A 395 3.264 4.825 12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 395 2.925 5.130 9.676 1.00 0.00 H new ATOM 0 HG3 GLU A 395 3.908 6.402 10.371 1.00 0.00 H new ATOM 62 N ASP A 396 6.392 6.872 11.708 1.00 0.00 N ATOM 63 CA ASP A 396 6.753 8.252 12.043 1.00 0.00 C ATOM 64 C ASP A 396 6.404 9.249 10.943 1.00 0.00 C ATOM 65 O ASP A 396 7.144 10.198 10.724 1.00 0.00 O ATOM 66 CB ASP A 396 8.249 8.371 12.353 1.00 0.00 C ATOM 67 CG ASP A 396 8.603 9.691 13.014 1.00 0.00 C ATOM 68 OD1 ASP A 396 9.591 10.328 12.580 1.00 0.00 O ATOM 69 OD2 ASP A 396 7.877 10.111 13.937 1.00 0.00 O ATOM 0 H ASP A 396 6.762 6.546 10.815 1.00 0.00 H new ATOM 0 HA ASP A 396 6.162 8.500 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.548 7.550 13.005 1.00 0.00 H new ATOM 0 HB3 ASP A 396 8.818 8.267 11.429 1.00 0.00 H new ATOM 74 N ASP A 397 5.338 9.033 10.195 1.00 0.00 N ATOM 75 CA ASP A 397 4.990 9.972 9.116 1.00 0.00 C ATOM 76 C ASP A 397 4.570 11.369 9.619 1.00 0.00 C ATOM 77 O ASP A 397 3.922 12.111 8.885 1.00 0.00 O ATOM 78 CB ASP A 397 3.948 9.400 8.162 1.00 0.00 C ATOM 79 CG ASP A 397 4.482 9.368 6.739 1.00 0.00 C ATOM 80 OD1 ASP A 397 4.774 10.446 6.181 1.00 0.00 O ATOM 81 OD2 ASP A 397 4.658 8.260 6.186 1.00 0.00 O ATOM 0 H ASP A 397 4.705 8.240 10.300 1.00 0.00 H new ATOM 0 HA ASP A 397 5.916 10.111 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 397 3.675 8.393 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 397 3.041 10.003 8.202 1.00 0.00 H new ATOM 86 N GLU A 398 4.900 11.672 10.887 1.00 0.00 N ATOM 87 CA GLU A 398 4.661 12.977 11.546 1.00 0.00 C ATOM 88 C GLU A 398 3.297 13.075 12.237 1.00 0.00 C ATOM 89 O GLU A 398 3.192 13.662 13.313 1.00 0.00 O ATOM 90 CB GLU A 398 4.907 14.166 10.586 1.00 0.00 C ATOM 91 CG GLU A 398 3.649 14.762 9.973 1.00 0.00 C ATOM 92 CD GLU A 398 3.921 15.612 8.745 1.00 0.00 C ATOM 93 OE1 GLU A 398 2.964 16.240 8.240 1.00 0.00 O ATOM 94 OE2 GLU A 398 5.078 15.647 8.272 1.00 0.00 O ATOM 0 H GLU A 398 5.354 10.998 11.504 1.00 0.00 H new ATOM 0 HA GLU A 398 5.401 13.040 12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 398 5.436 14.949 11.129 1.00 0.00 H new ATOM 0 HB3 GLU A 398 5.565 13.835 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 398 2.968 13.955 9.703 1.00 0.00 H new ATOM 0 HG3 GLU A 398 3.142 15.370 10.722 1.00 0.00 H new ATOM 101 N GLU A 399 2.265 12.504 11.644 1.00 0.00 N ATOM 102 CA GLU A 399 0.933 12.541 12.237 1.00 0.00 C ATOM 103 C GLU A 399 0.172 11.305 11.831 1.00 0.00 C ATOM 104 O GLU A 399 0.004 11.036 10.645 1.00 0.00 O ATOM 105 CB GLU A 399 0.177 13.791 11.805 1.00 0.00 C ATOM 106 CG GLU A 399 -0.657 14.404 12.913 1.00 0.00 C ATOM 107 CD GLU A 399 -1.452 15.605 12.445 1.00 0.00 C ATOM 108 OE1 GLU A 399 -2.666 15.652 12.721 1.00 0.00 O ATOM 109 OE2 GLU A 399 -0.868 16.491 11.782 1.00 0.00 O ATOM 0 H GLU A 399 2.319 12.009 10.754 1.00 0.00 H new ATOM 0 HA GLU A 399 1.032 12.569 13.322 1.00 0.00 H new ATOM 0 HB2 GLU A 399 0.891 14.532 11.445 1.00 0.00 H new ATOM 0 HB3 GLU A 399 -0.473 13.542 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.340 13.652 13.308 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.003 14.702 13.733 1.00 0.00 H new ATOM 116 N ASP A 400 -0.284 10.547 12.811 1.00 0.00 N ATOM 117 CA ASP A 400 -0.984 9.310 12.526 1.00 0.00 C ATOM 118 C ASP A 400 -1.619 8.714 13.777 1.00 0.00 C ATOM 119 O ASP A 400 -1.042 7.840 14.422 1.00 0.00 O ATOM 120 CB ASP A 400 0.003 8.296 11.943 1.00 0.00 C ATOM 121 CG ASP A 400 1.427 8.470 12.475 1.00 0.00 C ATOM 122 OD1 ASP A 400 1.598 8.715 13.693 1.00 0.00 O ATOM 123 OD2 ASP A 400 2.378 8.370 11.676 1.00 0.00 O ATOM 0 H ASP A 400 -0.183 10.764 13.803 1.00 0.00 H new ATOM 0 HA ASP A 400 -1.779 9.534 11.815 1.00 0.00 H new ATOM 0 HB2 ASP A 400 -0.343 7.288 12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 400 0.013 8.391 10.857 1.00 0.00 H new ATOM 128 N ASP A 401 -2.801 9.178 14.121 1.00 0.00 N ATOM 129 CA ASP A 401 -3.482 8.669 15.312 1.00 0.00 C ATOM 130 C ASP A 401 -4.974 8.452 15.092 1.00 0.00 C ATOM 131 O ASP A 401 -5.501 7.401 15.453 1.00 0.00 O ATOM 132 CB ASP A 401 -3.239 9.593 16.513 1.00 0.00 C ATOM 133 CG ASP A 401 -3.711 11.021 16.280 1.00 0.00 C ATOM 134 OD1 ASP A 401 -4.140 11.671 17.250 1.00 0.00 O ATOM 135 OD2 ASP A 401 -3.648 11.496 15.122 1.00 0.00 O ATOM 0 H ASP A 401 -3.312 9.896 13.608 1.00 0.00 H new ATOM 0 HA ASP A 401 -3.051 7.691 15.525 1.00 0.00 H new ATOM 0 HB2 ASP A 401 -3.751 9.186 17.385 1.00 0.00 H new ATOM 0 HB3 ASP A 401 -2.174 9.603 16.745 1.00 0.00 H new ATOM 140 N ASP A 402 -5.654 9.423 14.490 1.00 0.00 N ATOM 141 CA ASP A 402 -7.089 9.298 14.218 1.00 0.00 C ATOM 142 C ASP A 402 -7.325 8.312 13.083 1.00 0.00 C ATOM 143 O ASP A 402 -8.445 8.144 12.599 1.00 0.00 O ATOM 144 CB ASP A 402 -7.706 10.654 13.866 1.00 0.00 C ATOM 145 CG ASP A 402 -6.862 11.449 12.893 1.00 0.00 C ATOM 146 OD1 ASP A 402 -6.405 10.879 11.875 1.00 0.00 O ATOM 147 OD2 ASP A 402 -6.634 12.646 13.158 1.00 0.00 O ATOM 0 H ASP A 402 -5.240 10.303 14.181 1.00 0.00 H new ATOM 0 HA ASP A 402 -7.571 8.928 15.123 1.00 0.00 H new ATOM 0 HB2 ASP A 402 -8.696 10.497 13.437 1.00 0.00 H new ATOM 0 HB3 ASP A 402 -7.843 11.234 14.779 1.00 0.00 H new ATOM 152 N PHE A 403 -6.245 7.665 12.680 1.00 0.00 N ATOM 153 CA PHE A 403 -6.247 6.686 11.634 1.00 0.00 C ATOM 154 C PHE A 403 -7.278 5.596 11.914 1.00 0.00 C ATOM 155 O PHE A 403 -7.256 4.968 12.971 1.00 0.00 O ATOM 156 CB PHE A 403 -4.862 6.097 11.588 1.00 0.00 C ATOM 157 CG PHE A 403 -4.065 6.467 10.394 1.00 0.00 C ATOM 158 CD1 PHE A 403 -4.597 6.327 9.135 1.00 0.00 C ATOM 159 CD2 PHE A 403 -2.768 6.906 10.532 1.00 0.00 C ATOM 160 CE1 PHE A 403 -3.849 6.615 8.022 1.00 0.00 C ATOM 161 CE2 PHE A 403 -2.014 7.207 9.423 1.00 0.00 C ATOM 162 CZ PHE A 403 -2.553 7.056 8.167 1.00 0.00 C ATOM 0 H PHE A 403 -5.323 7.818 13.089 1.00 0.00 H new ATOM 0 HA PHE A 403 -6.512 7.142 10.680 1.00 0.00 H new ATOM 0 HB2 PHE A 403 -4.320 6.411 12.480 1.00 0.00 H new ATOM 0 HB3 PHE A 403 -4.943 5.011 11.630 1.00 0.00 H new ATOM 0 HD1 PHE A 403 -5.615 5.986 9.020 1.00 0.00 H new ATOM 0 HD2 PHE A 403 -2.340 7.015 11.518 1.00 0.00 H new ATOM 0 HE1 PHE A 403 -4.275 6.496 7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 403 -1.000 7.561 9.538 1.00 0.00 H new ATOM 0 HZ PHE A 403 -1.959 7.283 7.294 1.00 0.00 H new ATOM 172 N ASN A 404 -8.155 5.353 10.955 1.00 0.00 N ATOM 173 CA ASN A 404 -9.213 4.364 11.126 1.00 0.00 C ATOM 174 C ASN A 404 -9.007 3.147 10.237 1.00 0.00 C ATOM 175 O ASN A 404 -8.920 3.272 9.016 1.00 0.00 O ATOM 176 CB ASN A 404 -10.571 4.995 10.804 1.00 0.00 C ATOM 177 CG ASN A 404 -11.274 5.543 12.029 1.00 0.00 C ATOM 178 OD1 ASN A 404 -12.075 4.854 12.656 1.00 0.00 O ATOM 179 ND2 ASN A 404 -10.980 6.788 12.374 1.00 0.00 N ATOM 0 H ASN A 404 -8.158 5.824 10.050 1.00 0.00 H new ATOM 0 HA ASN A 404 -9.184 4.034 12.164 1.00 0.00 H new ATOM 0 HB2 ASN A 404 -10.430 5.800 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 404 -11.209 4.249 10.329 1.00 0.00 H new ATOM 0 HD21 ASN A 404 -11.425 7.210 13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 404 -10.309 7.324 11.825 1.00 0.00 H new ATOM 186 N GLU A 405 -8.925 1.975 10.854 1.00 0.00 N ATOM 187 CA GLU A 405 -8.769 0.729 10.115 1.00 0.00 C ATOM 188 C GLU A 405 -9.867 -0.243 10.517 1.00 0.00 C ATOM 189 O GLU A 405 -10.137 -0.418 11.706 1.00 0.00 O ATOM 190 CB GLU A 405 -7.397 0.091 10.347 1.00 0.00 C ATOM 191 CG GLU A 405 -7.055 -0.152 11.806 1.00 0.00 C ATOM 192 CD GLU A 405 -5.862 -1.071 11.970 1.00 0.00 C ATOM 193 OE1 GLU A 405 -5.067 -0.856 12.909 1.00 0.00 O ATOM 194 OE2 GLU A 405 -5.695 -1.987 11.144 1.00 0.00 O ATOM 0 H GLU A 405 -8.964 1.861 11.867 1.00 0.00 H new ATOM 0 HA GLU A 405 -8.846 0.960 9.053 1.00 0.00 H new ATOM 0 HB2 GLU A 405 -7.357 -0.859 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 405 -6.633 0.734 9.910 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -6.846 0.801 12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -7.918 -0.586 12.312 1.00 0.00 H new ATOM 201 N ASN A 406 -10.524 -0.830 9.526 1.00 0.00 N ATOM 202 CA ASN A 406 -11.600 -1.793 9.768 1.00 0.00 C ATOM 203 C ASN A 406 -12.150 -2.319 8.460 1.00 0.00 C ATOM 204 O ASN A 406 -13.311 -2.719 8.375 1.00 0.00 O ATOM 205 CB ASN A 406 -12.739 -1.185 10.608 1.00 0.00 C ATOM 206 CG ASN A 406 -13.261 0.134 10.058 1.00 0.00 C ATOM 207 OD1 ASN A 406 -14.131 0.166 9.191 1.00 0.00 O ATOM 208 ND2 ASN A 406 -12.739 1.237 10.575 1.00 0.00 N ATOM 0 H ASN A 406 -10.332 -0.657 8.539 1.00 0.00 H new ATOM 0 HA ASN A 406 -11.169 -2.618 10.335 1.00 0.00 H new ATOM 0 HB2 ASN A 406 -13.561 -1.898 10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 406 -12.385 -1.030 11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 406 -13.058 2.151 10.254 1.00 0.00 H new ATOM 0 HD22 ASN A 406 -12.018 1.172 11.294 1.00 0.00 H new ATOM 215 N ASP A 407 -11.303 -2.340 7.446 1.00 0.00 N ATOM 216 CA ASP A 407 -11.693 -2.844 6.144 1.00 0.00 C ATOM 217 C ASP A 407 -11.805 -4.358 6.224 1.00 0.00 C ATOM 218 O ASP A 407 -12.564 -4.982 5.479 1.00 0.00 O ATOM 219 CB ASP A 407 -10.697 -2.410 5.050 1.00 0.00 C ATOM 220 CG ASP A 407 -9.232 -2.644 5.403 1.00 0.00 C ATOM 221 OD1 ASP A 407 -8.437 -2.911 4.477 1.00 0.00 O ATOM 222 OD2 ASP A 407 -8.865 -2.527 6.594 1.00 0.00 O ATOM 0 H ASP A 407 -10.339 -2.013 7.501 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.659 -2.423 5.867 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -10.927 -2.949 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.843 -1.350 4.842 1.00 0.00 H new ATOM 227 N GLU A 408 -11.058 -4.930 7.170 1.00 0.00 N ATOM 228 CA GLU A 408 -11.055 -6.364 7.418 1.00 0.00 C ATOM 229 C GLU A 408 -10.105 -6.689 8.565 1.00 0.00 C ATOM 230 O GLU A 408 -9.587 -5.786 9.222 1.00 0.00 O ATOM 231 CB GLU A 408 -10.632 -7.130 6.170 1.00 0.00 C ATOM 232 CG GLU A 408 -9.222 -6.814 5.724 1.00 0.00 C ATOM 233 CD GLU A 408 -8.592 -7.985 5.008 1.00 0.00 C ATOM 234 OE1 GLU A 408 -8.336 -9.015 5.672 1.00 0.00 O ATOM 235 OE2 GLU A 408 -8.381 -7.904 3.784 1.00 0.00 O ATOM 0 H GLU A 408 -10.437 -4.405 7.786 1.00 0.00 H new ATOM 0 HA GLU A 408 -12.067 -6.668 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -10.713 -8.200 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -11.323 -6.899 5.359 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -9.234 -5.946 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -8.616 -6.547 6.590 1.00 0.00 H new ATOM 242 N ASP A 409 -9.875 -7.976 8.798 1.00 0.00 N ATOM 243 CA ASP A 409 -8.978 -8.423 9.856 1.00 0.00 C ATOM 244 C ASP A 409 -8.360 -9.762 9.468 1.00 0.00 C ATOM 245 O ASP A 409 -8.924 -10.820 9.737 1.00 0.00 O ATOM 246 CB ASP A 409 -9.726 -8.550 11.188 1.00 0.00 C ATOM 247 CG ASP A 409 -8.811 -8.429 12.396 1.00 0.00 C ATOM 248 OD1 ASP A 409 -9.174 -7.711 13.347 1.00 0.00 O ATOM 249 OD2 ASP A 409 -7.723 -9.042 12.388 1.00 0.00 O ATOM 0 H ASP A 409 -10.301 -8.733 8.264 1.00 0.00 H new ATOM 0 HA ASP A 409 -8.188 -7.683 9.982 1.00 0.00 H new ATOM 0 HB2 ASP A 409 -10.494 -7.779 11.242 1.00 0.00 H new ATOM 0 HB3 ASP A 409 -10.237 -9.512 11.221 1.00 0.00 H new ATOM 254 N ASP A 410 -7.222 -9.699 8.793 1.00 0.00 N ATOM 255 CA ASP A 410 -6.519 -10.900 8.346 1.00 0.00 C ATOM 256 C ASP A 410 -5.541 -11.393 9.408 1.00 0.00 C ATOM 257 O ASP A 410 -5.597 -12.581 9.770 1.00 0.00 O ATOM 258 CB ASP A 410 -5.767 -10.610 7.047 1.00 0.00 C ATOM 259 CG ASP A 410 -4.957 -11.794 6.555 1.00 0.00 C ATOM 260 OD1 ASP A 410 -5.515 -12.649 5.827 1.00 0.00 O ATOM 261 OD2 ASP A 410 -3.755 -11.866 6.875 1.00 0.00 O ATOM 262 OXT ASP A 410 -4.705 -10.589 9.865 1.00 0.00 O ATOM 0 H ASP A 410 -6.761 -8.825 8.540 1.00 0.00 H new ATOM 0 HA ASP A 410 -7.259 -11.681 8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -6.482 -10.320 6.277 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -5.102 -9.760 7.200 1.00 0.00 H new TER 267 ASP A 410 ATOM 268 N MET B 1 1.378 -7.739 -13.978 1.00 0.00 N ATOM 269 CA MET B 1 2.745 -8.244 -13.700 1.00 0.00 C ATOM 270 C MET B 1 3.602 -8.232 -14.960 1.00 0.00 C ATOM 271 O MET B 1 3.162 -8.673 -16.022 1.00 0.00 O ATOM 272 CB MET B 1 2.683 -9.665 -13.131 1.00 0.00 C ATOM 273 CG MET B 1 4.047 -10.249 -12.800 1.00 0.00 C ATOM 274 SD MET B 1 5.026 -9.171 -11.737 1.00 0.00 S ATOM 275 CE MET B 1 6.578 -10.063 -11.690 1.00 0.00 C ATOM 0 H1 MET B 1 0.782 -7.868 -13.135 1.00 0.00 H new ATOM 0 H2 MET B 1 1.424 -6.728 -14.218 1.00 0.00 H new ATOM 0 H3 MET B 1 0.969 -8.266 -14.776 1.00 0.00 H new ATOM 0 HA MET B 1 3.202 -7.581 -12.965 1.00 0.00 H new ATOM 0 HB2 MET B 1 2.071 -9.660 -12.229 1.00 0.00 H new ATOM 0 HB3 MET B 1 2.184 -10.314 -13.851 1.00 0.00 H new ATOM 0 HG2 MET B 1 3.915 -11.214 -12.310 1.00 0.00 H new ATOM 0 HG3 MET B 1 4.593 -10.433 -13.725 1.00 0.00 H new ATOM 0 HE1 MET B 1 7.291 -9.521 -11.069 1.00 0.00 H new ATOM 0 HE2 MET B 1 6.414 -11.056 -11.272 1.00 0.00 H new ATOM 0 HE3 MET B 1 6.975 -10.156 -12.701 1.00 0.00 H new ATOM 285 N ALA B 2 4.829 -7.734 -14.830 1.00 0.00 N ATOM 286 CA ALA B 2 5.756 -7.661 -15.949 1.00 0.00 C ATOM 287 C ALA B 2 7.206 -7.722 -15.469 1.00 0.00 C ATOM 288 O ALA B 2 7.903 -8.706 -15.716 1.00 0.00 O ATOM 289 CB ALA B 2 5.514 -6.395 -16.762 1.00 0.00 C ATOM 0 H ALA B 2 5.204 -7.373 -13.953 1.00 0.00 H new ATOM 0 HA ALA B 2 5.578 -8.525 -16.590 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.216 -6.357 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA B 2 4.494 -6.399 -17.147 1.00 0.00 H new ATOM 0 HB3 ALA B 2 5.658 -5.521 -16.126 1.00 0.00 H new ATOM 295 N THR B 3 7.661 -6.679 -14.776 1.00 0.00 N ATOM 296 CA THR B 3 9.038 -6.632 -14.282 1.00 0.00 C ATOM 297 C THR B 3 9.182 -5.713 -13.062 1.00 0.00 C ATOM 298 O THR B 3 9.803 -6.085 -12.066 1.00 0.00 O ATOM 299 CB THR B 3 10.012 -6.151 -15.382 1.00 0.00 C ATOM 300 OG1 THR B 3 9.819 -6.910 -16.582 1.00 0.00 O ATOM 301 CG2 THR B 3 11.459 -6.284 -14.929 1.00 0.00 C ATOM 0 H THR B 3 7.100 -5.859 -14.544 1.00 0.00 H new ATOM 0 HA THR B 3 9.290 -7.651 -13.987 1.00 0.00 H new ATOM 0 HB THR B 3 9.801 -5.099 -15.577 1.00 0.00 H new ATOM 0 HG1 THR B 3 10.440 -6.595 -17.272 1.00 0.00 H new ATOM 0 HG21 THR B 3 12.122 -5.939 -15.722 1.00 0.00 H new ATOM 0 HG22 THR B 3 11.617 -5.680 -14.035 1.00 0.00 H new ATOM 0 HG23 THR B 3 11.675 -7.328 -14.705 1.00 0.00 H new ATOM 309 N SER B 4 8.606 -4.519 -13.145 1.00 0.00 N ATOM 310 CA SER B 4 8.687 -3.549 -12.058 1.00 0.00 C ATOM 311 C SER B 4 7.586 -2.504 -12.205 1.00 0.00 C ATOM 312 O SER B 4 6.726 -2.363 -11.334 1.00 0.00 O ATOM 313 CB SER B 4 10.065 -2.880 -12.047 1.00 0.00 C ATOM 314 OG SER B 4 10.509 -2.607 -13.366 1.00 0.00 O ATOM 0 H SER B 4 8.076 -4.198 -13.956 1.00 0.00 H new ATOM 0 HA SER B 4 8.548 -4.069 -11.110 1.00 0.00 H new ATOM 0 HB2 SER B 4 10.018 -1.953 -11.476 1.00 0.00 H new ATOM 0 HB3 SER B 4 10.783 -3.528 -11.545 1.00 0.00 H new ATOM 0 HG SER B 4 11.390 -2.179 -13.333 1.00 0.00 H new ATOM 320 N SER B 5 7.629 -1.763 -13.305 1.00 0.00 N ATOM 321 CA SER B 5 6.617 -0.760 -13.589 1.00 0.00 C ATOM 322 C SER B 5 5.435 -1.452 -14.248 1.00 0.00 C ATOM 323 O SER B 5 5.297 -1.454 -15.473 1.00 0.00 O ATOM 324 CB SER B 5 7.190 0.331 -14.494 1.00 0.00 C ATOM 325 OG SER B 5 8.508 0.670 -14.094 1.00 0.00 O ATOM 0 H SER B 5 8.357 -1.840 -14.015 1.00 0.00 H new ATOM 0 HA SER B 5 6.291 -0.280 -12.667 1.00 0.00 H new ATOM 0 HB2 SER B 5 7.195 -0.013 -15.528 1.00 0.00 H new ATOM 0 HB3 SER B 5 6.554 1.215 -14.455 1.00 0.00 H new ATOM 0 HG SER B 5 8.860 1.368 -14.685 1.00 0.00 H new ATOM 331 N GLU B 6 4.603 -2.059 -13.419 1.00 0.00 N ATOM 332 CA GLU B 6 3.461 -2.814 -13.890 1.00 0.00 C ATOM 333 C GLU B 6 2.245 -1.936 -14.149 1.00 0.00 C ATOM 334 O GLU B 6 2.330 -0.705 -14.151 1.00 0.00 O ATOM 335 CB GLU B 6 3.120 -3.897 -12.868 1.00 0.00 C ATOM 336 CG GLU B 6 3.797 -5.228 -13.144 1.00 0.00 C ATOM 337 CD GLU B 6 5.313 -5.167 -13.082 1.00 0.00 C ATOM 338 OE1 GLU B 6 5.941 -4.742 -14.071 1.00 0.00 O ATOM 339 OE2 GLU B 6 5.884 -5.585 -12.057 1.00 0.00 O ATOM 0 H GLU B 6 4.702 -2.041 -12.404 1.00 0.00 H new ATOM 0 HA GLU B 6 3.731 -3.265 -14.845 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.408 -3.551 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU B 6 2.040 -4.044 -12.854 1.00 0.00 H new ATOM 0 HG2 GLU B 6 3.442 -5.963 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU B 6 3.497 -5.581 -14.131 1.00 0.00 H new ATOM 346 N GLU B 7 1.118 -2.597 -14.368 1.00 0.00 N ATOM 347 CA GLU B 7 -0.147 -1.941 -14.646 1.00 0.00 C ATOM 348 C GLU B 7 -0.561 -1.014 -13.512 1.00 0.00 C ATOM 349 O GLU B 7 -1.050 -1.464 -12.475 1.00 0.00 O ATOM 350 CB GLU B 7 -1.243 -2.989 -14.864 1.00 0.00 C ATOM 351 CG GLU B 7 -0.880 -4.064 -15.877 1.00 0.00 C ATOM 352 CD GLU B 7 -0.255 -5.298 -15.243 1.00 0.00 C ATOM 353 OE1 GLU B 7 0.885 -5.206 -14.740 1.00 0.00 O ATOM 354 OE2 GLU B 7 -0.895 -6.365 -15.247 1.00 0.00 O ATOM 0 H GLU B 7 1.058 -3.615 -14.357 1.00 0.00 H new ATOM 0 HA GLU B 7 -0.015 -1.343 -15.548 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -1.471 -3.465 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -2.152 -2.486 -15.194 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.777 -4.358 -16.422 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -0.186 -3.647 -16.607 1.00 0.00 H new ATOM 361 N VAL B 8 -0.356 0.279 -13.708 1.00 0.00 N ATOM 362 CA VAL B 8 -0.740 1.266 -12.716 1.00 0.00 C ATOM 363 C VAL B 8 -2.213 1.585 -12.875 1.00 0.00 C ATOM 364 O VAL B 8 -2.616 2.263 -13.822 1.00 0.00 O ATOM 365 CB VAL B 8 0.065 2.571 -12.840 1.00 0.00 C ATOM 366 CG1 VAL B 8 -0.509 3.618 -11.902 1.00 0.00 C ATOM 367 CG2 VAL B 8 1.539 2.329 -12.547 1.00 0.00 C ATOM 0 H VAL B 8 0.075 0.668 -14.547 1.00 0.00 H new ATOM 0 HA VAL B 8 -0.532 0.839 -11.735 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.012 2.936 -13.864 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.064 4.541 -11.993 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -1.550 3.810 -12.164 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -0.454 3.256 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.087 3.266 -12.641 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.650 1.944 -11.533 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.937 1.603 -13.256 1.00 0.00 H new ATOM 377 N LEU B 9 -3.016 1.074 -11.968 1.00 0.00 N ATOM 378 CA LEU B 9 -4.446 1.300 -12.017 1.00 0.00 C ATOM 379 C LEU B 9 -4.832 2.622 -11.359 1.00 0.00 C ATOM 380 O LEU B 9 -5.823 3.244 -11.738 1.00 0.00 O ATOM 381 CB LEU B 9 -5.190 0.141 -11.346 1.00 0.00 C ATOM 382 CG LEU B 9 -4.733 -1.262 -11.762 1.00 0.00 C ATOM 383 CD1 LEU B 9 -5.381 -2.317 -10.881 1.00 0.00 C ATOM 384 CD2 LEU B 9 -5.057 -1.519 -13.227 1.00 0.00 C ATOM 0 H LEU B 9 -2.704 0.498 -11.186 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.735 1.354 -13.067 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -5.077 0.236 -10.266 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -6.253 0.238 -11.566 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.652 -1.322 -11.634 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -5.045 -3.306 -11.191 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -5.099 -2.147 -9.842 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -6.465 -2.255 -10.977 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.725 -2.520 -13.503 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.133 -1.438 -13.381 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.545 -0.783 -13.847 1.00 0.00 H new ATOM 396 N LEU B 10 -4.057 3.053 -10.375 1.00 0.00 N ATOM 397 CA LEU B 10 -4.355 4.295 -9.679 1.00 0.00 C ATOM 398 C LEU B 10 -3.124 5.173 -9.521 1.00 0.00 C ATOM 399 O LEU B 10 -2.103 4.735 -8.992 1.00 0.00 O ATOM 400 CB LEU B 10 -4.925 3.987 -8.304 1.00 0.00 C ATOM 401 CG LEU B 10 -5.392 5.209 -7.508 1.00 0.00 C ATOM 402 CD1 LEU B 10 -6.849 5.527 -7.779 1.00 0.00 C ATOM 403 CD2 LEU B 10 -5.177 4.988 -6.027 1.00 0.00 C ATOM 0 H LEU B 10 -3.224 2.566 -10.043 1.00 0.00 H new ATOM 0 HA LEU B 10 -5.082 4.839 -10.282 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -5.767 3.305 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -4.167 3.461 -7.723 1.00 0.00 H new ATOM 0 HG LEU B 10 -4.795 6.061 -7.833 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -7.145 6.400 -7.197 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -6.985 5.735 -8.840 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -7.466 4.675 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -5.514 5.866 -5.475 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -5.745 4.116 -5.703 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -4.117 4.823 -5.834 1.00 0.00 H new ATOM 415 N ILE B 11 -3.229 6.411 -9.978 1.00 0.00 N ATOM 416 CA ILE B 11 -2.138 7.362 -9.850 1.00 0.00 C ATOM 417 C ILE B 11 -2.539 8.467 -8.892 1.00 0.00 C ATOM 418 O ILE B 11 -3.467 9.236 -9.161 1.00 0.00 O ATOM 419 CB ILE B 11 -1.732 8.003 -11.189 1.00 0.00 C ATOM 420 CG1 ILE B 11 -1.354 6.930 -12.210 1.00 0.00 C ATOM 421 CG2 ILE B 11 -0.570 8.964 -10.959 1.00 0.00 C ATOM 422 CD1 ILE B 11 -1.131 7.473 -13.606 1.00 0.00 C ATOM 0 H ILE B 11 -4.060 6.780 -10.441 1.00 0.00 H new ATOM 0 HA ILE B 11 -1.280 6.802 -9.477 1.00 0.00 H new ATOM 0 HB ILE B 11 -2.580 8.558 -11.590 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.447 6.426 -11.876 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -2.143 6.178 -12.243 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -0.281 9.419 -11.906 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -0.875 9.743 -10.260 1.00 0.00 H new ATOM 0 HG23 ILE B 11 0.278 8.418 -10.546 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.866 6.655 -14.276 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -2.044 7.952 -13.960 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -0.322 8.203 -13.587 1.00 0.00 H new ATOM 434 N VAL B 12 -1.839 8.557 -7.784 1.00 0.00 N ATOM 435 CA VAL B 12 -2.126 9.559 -6.790 1.00 0.00 C ATOM 436 C VAL B 12 -1.056 10.622 -6.816 1.00 0.00 C ATOM 437 O VAL B 12 0.107 10.343 -7.107 1.00 0.00 O ATOM 438 CB VAL B 12 -2.226 8.951 -5.387 1.00 0.00 C ATOM 439 CG1 VAL B 12 -2.884 9.922 -4.429 1.00 0.00 C ATOM 440 CG2 VAL B 12 -2.992 7.643 -5.432 1.00 0.00 C ATOM 0 H VAL B 12 -1.060 7.941 -7.550 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.092 10.003 -7.029 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.217 8.749 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -2.945 9.471 -3.439 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.293 10.837 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.888 10.158 -4.783 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.055 7.223 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -3.997 7.823 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -2.476 6.941 -6.087 1.00 0.00 H new ATOM 450 N LYS B 13 -1.447 11.835 -6.512 1.00 0.00 N ATOM 451 CA LYS B 13 -0.525 12.947 -6.531 1.00 0.00 C ATOM 452 C LYS B 13 -0.213 13.386 -5.118 1.00 0.00 C ATOM 453 O LYS B 13 -0.836 12.904 -4.179 1.00 0.00 O ATOM 454 CB LYS B 13 -1.101 14.112 -7.343 1.00 0.00 C ATOM 455 CG LYS B 13 -0.896 13.974 -8.848 1.00 0.00 C ATOM 456 CD LYS B 13 -1.619 12.760 -9.421 1.00 0.00 C ATOM 457 CE LYS B 13 -3.119 12.988 -9.512 1.00 0.00 C ATOM 458 NZ LYS B 13 -3.896 11.968 -8.752 1.00 0.00 N ATOM 0 H LYS B 13 -2.401 12.079 -6.247 1.00 0.00 H new ATOM 0 HA LYS B 13 0.400 12.625 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -2.168 14.194 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -0.640 15.040 -7.006 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -1.254 14.875 -9.345 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.170 13.894 -9.062 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -1.224 12.536 -10.412 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -1.421 11.890 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.357 13.981 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -3.424 12.968 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.913 12.156 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -3.679 11.020 -9.121 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.639 12.015 -7.745 1.00 0.00 H new ATOM 472 N LYS B 14 0.706 14.347 -5.017 1.00 0.00 N ATOM 473 CA LYS B 14 1.190 14.913 -3.751 1.00 0.00 C ATOM 474 C LYS B 14 0.895 14.033 -2.536 1.00 0.00 C ATOM 475 O LYS B 14 -0.034 14.286 -1.772 1.00 0.00 O ATOM 476 CB LYS B 14 0.581 16.299 -3.553 1.00 0.00 C ATOM 477 CG LYS B 14 1.212 17.377 -4.415 1.00 0.00 C ATOM 478 CD LYS B 14 0.173 18.356 -4.944 1.00 0.00 C ATOM 479 CE LYS B 14 -0.423 19.207 -3.833 1.00 0.00 C ATOM 480 NZ LYS B 14 -1.548 20.046 -4.326 1.00 0.00 N ATOM 0 H LYS B 14 1.148 14.767 -5.835 1.00 0.00 H new ATOM 0 HA LYS B 14 2.276 14.976 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -0.486 16.251 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS B 14 0.679 16.582 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS B 14 1.958 17.918 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS B 14 1.735 16.914 -5.252 1.00 0.00 H new ATOM 0 HD2 LYS B 14 0.632 19.004 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -0.623 17.805 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -0.776 18.561 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS B 14 0.351 19.848 -3.410 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -1.728 20.816 -3.651 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -1.301 20.448 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -2.403 19.461 -4.419 1.00 0.00 H new ATOM 494 N VAL B 15 1.677 12.974 -2.405 1.00 0.00 N ATOM 495 CA VAL B 15 1.560 12.050 -1.287 1.00 0.00 C ATOM 496 C VAL B 15 2.907 11.950 -0.591 1.00 0.00 C ATOM 497 O VAL B 15 3.901 11.576 -1.207 1.00 0.00 O ATOM 498 CB VAL B 15 1.099 10.640 -1.731 1.00 0.00 C ATOM 499 CG1 VAL B 15 1.303 9.620 -0.618 1.00 0.00 C ATOM 500 CG2 VAL B 15 -0.359 10.662 -2.148 1.00 0.00 C ATOM 0 H VAL B 15 2.411 12.730 -3.070 1.00 0.00 H new ATOM 0 HA VAL B 15 0.800 12.438 -0.609 1.00 0.00 H new ATOM 0 HB VAL B 15 1.709 10.346 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL B 15 0.971 8.639 -0.958 1.00 0.00 H new ATOM 0 HG12 VAL B 15 2.360 9.574 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.725 9.916 0.257 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -0.664 9.662 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -0.973 10.986 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -0.489 11.354 -2.980 1.00 0.00 H new ATOM 510 N ARG B 16 2.939 12.301 0.678 1.00 0.00 N ATOM 511 CA ARG B 16 4.160 12.267 1.451 1.00 0.00 C ATOM 512 C ARG B 16 4.334 10.922 2.137 1.00 0.00 C ATOM 513 O ARG B 16 3.443 10.443 2.836 1.00 0.00 O ATOM 514 CB ARG B 16 4.166 13.387 2.493 1.00 0.00 C ATOM 515 CG ARG B 16 3.565 14.686 1.990 1.00 0.00 C ATOM 516 CD ARG B 16 3.625 15.782 3.041 1.00 0.00 C ATOM 517 NE ARG B 16 4.997 16.167 3.363 1.00 0.00 N ATOM 518 CZ ARG B 16 5.482 16.216 4.604 1.00 0.00 C ATOM 519 NH1 ARG B 16 4.702 15.902 5.632 1.00 0.00 N ATOM 520 NH2 ARG B 16 6.741 16.577 4.814 1.00 0.00 N ATOM 0 H ARG B 16 2.121 12.617 1.200 1.00 0.00 H new ATOM 0 HA ARG B 16 4.994 12.415 0.765 1.00 0.00 H new ATOM 0 HB2 ARG B 16 3.613 13.057 3.373 1.00 0.00 H new ATOM 0 HB3 ARG B 16 5.192 13.570 2.812 1.00 0.00 H new ATOM 0 HG2 ARG B 16 4.098 15.010 1.096 1.00 0.00 H new ATOM 0 HG3 ARG B 16 2.528 14.518 1.700 1.00 0.00 H new ATOM 0 HD2 ARG B 16 3.079 16.655 2.684 1.00 0.00 H new ATOM 0 HD3 ARG B 16 3.123 15.441 3.947 1.00 0.00 H new ATOM 0 HE ARG B 16 5.620 16.413 2.594 1.00 0.00 H new ATOM 0 HH11 ARG B 16 3.734 15.624 5.471 1.00 0.00 H new ATOM 0 HH12 ARG B 16 5.071 15.939 6.582 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.341 16.818 4.025 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.109 16.614 5.764 1.00 0.00 H new ATOM 534 N GLN B 17 5.477 10.316 1.899 1.00 0.00 N ATOM 535 CA GLN B 17 5.827 9.048 2.500 1.00 0.00 C ATOM 536 C GLN B 17 7.051 9.254 3.370 1.00 0.00 C ATOM 537 O GLN B 17 8.129 9.572 2.862 1.00 0.00 O ATOM 538 CB GLN B 17 6.110 7.991 1.425 1.00 0.00 C ATOM 539 CG GLN B 17 6.979 6.837 1.912 1.00 0.00 C ATOM 540 CD GLN B 17 6.258 5.935 2.891 1.00 0.00 C ATOM 541 OE1 GLN B 17 6.830 5.492 3.888 1.00 0.00 O ATOM 542 NE2 GLN B 17 5.007 5.642 2.602 1.00 0.00 N ATOM 0 H GLN B 17 6.194 10.692 1.279 1.00 0.00 H new ATOM 0 HA GLN B 17 4.993 8.688 3.103 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.163 7.592 1.062 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.600 8.470 0.577 1.00 0.00 H new ATOM 0 HG2 GLN B 17 7.307 6.248 1.055 1.00 0.00 H new ATOM 0 HG3 GLN B 17 7.875 7.237 2.386 1.00 0.00 H new ATOM 0 HE21 GLN B 17 4.572 6.031 1.765 1.00 0.00 H new ATOM 0 HE22 GLN B 17 4.473 5.026 3.215 1.00 0.00 H new ATOM 551 N LYS B 18 6.865 9.126 4.676 1.00 0.00 N ATOM 552 CA LYS B 18 7.950 9.286 5.633 1.00 0.00 C ATOM 553 C LYS B 18 8.452 10.724 5.640 1.00 0.00 C ATOM 554 O LYS B 18 9.659 10.973 5.671 1.00 0.00 O ATOM 555 CB LYS B 18 9.087 8.306 5.314 1.00 0.00 C ATOM 556 CG LYS B 18 9.576 7.509 6.512 1.00 0.00 C ATOM 557 CD LYS B 18 8.682 6.309 6.783 1.00 0.00 C ATOM 558 CE LYS B 18 7.318 6.741 7.288 1.00 0.00 C ATOM 559 NZ LYS B 18 6.207 6.152 6.496 1.00 0.00 N ATOM 0 H LYS B 18 5.963 8.910 5.100 1.00 0.00 H new ATOM 0 HA LYS B 18 7.573 9.059 6.630 1.00 0.00 H new ATOM 0 HB2 LYS B 18 8.749 7.613 4.544 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.925 8.863 4.896 1.00 0.00 H new ATOM 0 HG2 LYS B 18 10.597 7.171 6.334 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.602 8.151 7.392 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.566 5.726 5.870 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.155 5.659 7.519 1.00 0.00 H new ATOM 0 HE2 LYS B 18 7.211 6.448 8.332 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.249 7.828 7.253 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 5.377 6.777 6.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.505 6.047 5.505 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.960 5.219 6.884 1.00 0.00 H new ATOM 573 N LYS B 19 7.501 11.661 5.615 1.00 0.00 N ATOM 574 CA LYS B 19 7.796 13.098 5.620 1.00 0.00 C ATOM 575 C LYS B 19 8.406 13.550 4.289 1.00 0.00 C ATOM 576 O LYS B 19 9.019 14.615 4.211 1.00 0.00 O ATOM 577 CB LYS B 19 8.734 13.472 6.783 1.00 0.00 C ATOM 578 CG LYS B 19 8.020 13.788 8.091 1.00 0.00 C ATOM 579 CD LYS B 19 7.838 12.548 8.960 1.00 0.00 C ATOM 580 CE LYS B 19 8.365 12.767 10.372 1.00 0.00 C ATOM 581 NZ LYS B 19 9.621 12.013 10.625 1.00 0.00 N ATOM 0 H LYS B 19 6.504 11.446 5.591 1.00 0.00 H new ATOM 0 HA LYS B 19 6.848 13.618 5.758 1.00 0.00 H new ATOM 0 HB2 LYS B 19 9.429 12.649 6.952 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.329 14.337 6.490 1.00 0.00 H new ATOM 0 HG2 LYS B 19 8.589 14.536 8.643 1.00 0.00 H new ATOM 0 HG3 LYS B 19 7.045 14.225 7.875 1.00 0.00 H new ATOM 0 HD2 LYS B 19 6.781 12.286 9.003 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.357 11.705 8.504 1.00 0.00 H new ATOM 0 HE2 LYS B 19 8.543 13.831 10.531 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.607 12.460 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 9.622 11.659 11.603 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 9.683 11.211 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 10.438 12.641 10.483 1.00 0.00 H new ATOM 595 N GLN B 20 8.218 12.750 3.243 1.00 0.00 N ATOM 596 CA GLN B 20 8.754 13.073 1.924 1.00 0.00 C ATOM 597 C GLN B 20 7.646 13.050 0.879 1.00 0.00 C ATOM 598 O GLN B 20 7.021 12.020 0.656 1.00 0.00 O ATOM 599 CB GLN B 20 9.854 12.078 1.539 1.00 0.00 C ATOM 600 CG GLN B 20 10.418 12.304 0.145 1.00 0.00 C ATOM 601 CD GLN B 20 11.285 11.153 -0.331 1.00 0.00 C ATOM 602 OE1 GLN B 20 10.986 9.950 0.136 1.00 0.00 O flip ATOM 603 NE2 GLN B 20 12.215 11.342 -1.118 1.00 0.00 N flip ATOM 0 H GLN B 20 7.698 11.873 3.283 1.00 0.00 H new ATOM 0 HA GLN B 20 9.180 14.075 1.962 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.664 12.146 2.265 1.00 0.00 H new ATOM 0 HB3 GLN B 20 9.455 11.066 1.601 1.00 0.00 H new ATOM 0 HG2 GLN B 20 9.596 12.448 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.006 13.222 0.140 1.00 0.00 H new ATOM 0 HE21 GLN B 20 12.414 12.284 -1.455 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.785 10.557 -1.432 1.00 0.00 H new ATOM 612 N ASP B 21 7.418 14.185 0.236 1.00 0.00 N ATOM 613 CA ASP B 21 6.374 14.308 -0.780 1.00 0.00 C ATOM 614 C ASP B 21 6.710 13.507 -2.033 1.00 0.00 C ATOM 615 O ASP B 21 7.872 13.233 -2.316 1.00 0.00 O ATOM 616 CB ASP B 21 6.150 15.781 -1.138 1.00 0.00 C ATOM 617 CG ASP B 21 5.446 16.538 -0.030 1.00 0.00 C ATOM 618 OD1 ASP B 21 6.093 16.817 1.008 1.00 0.00 O ATOM 619 OD2 ASP B 21 4.238 16.832 -0.180 1.00 0.00 O ATOM 0 H ASP B 21 7.945 15.043 0.399 1.00 0.00 H new ATOM 0 HA ASP B 21 5.455 13.898 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP B 21 7.110 16.253 -1.345 1.00 0.00 H new ATOM 0 HB3 ASP B 21 5.560 15.845 -2.052 1.00 0.00 H new ATOM 624 N GLY B 22 5.681 13.100 -2.761 1.00 0.00 N ATOM 625 CA GLY B 22 5.882 12.338 -3.975 1.00 0.00 C ATOM 626 C GLY B 22 4.571 11.947 -4.624 1.00 0.00 C ATOM 627 O GLY B 22 3.538 12.567 -4.368 1.00 0.00 O ATOM 0 H GLY B 22 4.705 13.285 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY B 22 6.473 12.925 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY B 22 6.456 11.440 -3.748 1.00 0.00 H new ATOM 631 N ALA B 23 4.611 10.921 -5.458 1.00 0.00 N ATOM 632 CA ALA B 23 3.415 10.441 -6.147 1.00 0.00 C ATOM 633 C ALA B 23 3.234 8.945 -5.928 1.00 0.00 C ATOM 634 O ALA B 23 4.180 8.165 -6.038 1.00 0.00 O ATOM 635 CB ALA B 23 3.479 10.769 -7.632 1.00 0.00 C ATOM 0 H ALA B 23 5.460 10.400 -5.678 1.00 0.00 H new ATOM 0 HA ALA B 23 2.549 10.953 -5.726 1.00 0.00 H new ATOM 0 HB1 ALA B 23 2.578 10.402 -8.125 1.00 0.00 H new ATOM 0 HB2 ALA B 23 3.551 11.849 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA B 23 4.354 10.291 -8.073 1.00 0.00 H new ATOM 641 N LEU B 24 2.009 8.559 -5.619 1.00 0.00 N ATOM 642 CA LEU B 24 1.670 7.168 -5.351 1.00 0.00 C ATOM 643 C LEU B 24 1.085 6.508 -6.602 1.00 0.00 C ATOM 644 O LEU B 24 0.313 7.124 -7.330 1.00 0.00 O ATOM 645 CB LEU B 24 0.667 7.124 -4.197 1.00 0.00 C ATOM 646 CG LEU B 24 0.215 5.729 -3.770 1.00 0.00 C ATOM 647 CD1 LEU B 24 1.104 5.160 -2.693 1.00 0.00 C ATOM 648 CD2 LEU B 24 -1.225 5.769 -3.293 1.00 0.00 C ATOM 0 H LEU B 24 1.219 9.200 -5.546 1.00 0.00 H new ATOM 0 HA LEU B 24 2.568 6.616 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU B 24 1.110 7.623 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -0.213 7.701 -4.482 1.00 0.00 H new ATOM 0 HG LEU B 24 0.289 5.076 -4.640 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.750 4.167 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.126 5.090 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.079 5.811 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -1.536 4.769 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.308 6.447 -2.443 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.866 6.120 -4.101 1.00 0.00 H new ATOM 660 N TYR B 25 1.463 5.261 -6.855 1.00 0.00 N ATOM 661 CA TYR B 25 0.978 4.528 -8.020 1.00 0.00 C ATOM 662 C TYR B 25 0.592 3.103 -7.630 1.00 0.00 C ATOM 663 O TYR B 25 1.459 2.272 -7.353 1.00 0.00 O ATOM 664 CB TYR B 25 2.049 4.460 -9.120 1.00 0.00 C ATOM 665 CG TYR B 25 2.625 5.794 -9.549 1.00 0.00 C ATOM 666 CD1 TYR B 25 3.709 6.353 -8.882 1.00 0.00 C ATOM 667 CD2 TYR B 25 2.098 6.481 -10.633 1.00 0.00 C ATOM 668 CE1 TYR B 25 4.248 7.559 -9.283 1.00 0.00 C ATOM 669 CE2 TYR B 25 2.632 7.689 -11.039 1.00 0.00 C ATOM 670 CZ TYR B 25 3.705 8.224 -10.361 1.00 0.00 C ATOM 671 OH TYR B 25 4.241 9.424 -10.764 1.00 0.00 O ATOM 0 H TYR B 25 2.107 4.733 -6.266 1.00 0.00 H new ATOM 0 HA TYR B 25 0.106 5.061 -8.399 1.00 0.00 H new ATOM 0 HB2 TYR B 25 2.865 3.827 -8.771 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.618 3.972 -9.994 1.00 0.00 H new ATOM 0 HD1 TYR B 25 4.137 5.835 -8.036 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.257 6.065 -11.168 1.00 0.00 H new ATOM 0 HE1 TYR B 25 5.091 7.979 -8.755 1.00 0.00 H new ATOM 0 HE2 TYR B 25 2.210 8.212 -11.885 1.00 0.00 H new ATOM 0 HH TYR B 25 3.744 9.761 -11.538 1.00 0.00 H new ATOM 681 N LEU B 26 -0.697 2.812 -7.612 1.00 0.00 N ATOM 682 CA LEU B 26 -1.156 1.476 -7.256 1.00 0.00 C ATOM 683 C LEU B 26 -1.175 0.591 -8.492 1.00 0.00 C ATOM 684 O LEU B 26 -1.790 0.939 -9.500 1.00 0.00 O ATOM 685 CB LEU B 26 -2.544 1.513 -6.618 1.00 0.00 C ATOM 686 CG LEU B 26 -2.712 2.511 -5.476 1.00 0.00 C ATOM 687 CD1 LEU B 26 -3.924 2.175 -4.638 1.00 0.00 C ATOM 688 CD2 LEU B 26 -1.493 2.558 -4.588 1.00 0.00 C ATOM 0 H LEU B 26 -1.440 3.474 -7.837 1.00 0.00 H new ATOM 0 HA LEU B 26 -0.462 1.065 -6.523 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -3.275 1.746 -7.392 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.781 0.517 -6.245 1.00 0.00 H new ATOM 0 HG LEU B 26 -2.847 3.491 -5.934 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.021 2.901 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.817 2.204 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -3.809 1.177 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -1.653 3.280 -3.788 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.318 1.572 -4.157 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.625 2.855 -5.177 1.00 0.00 H new ATOM 700 N MET B 27 -0.503 -0.548 -8.419 1.00 0.00 N ATOM 701 CA MET B 27 -0.441 -1.464 -9.547 1.00 0.00 C ATOM 702 C MET B 27 -1.298 -2.695 -9.314 1.00 0.00 C ATOM 703 O MET B 27 -1.794 -2.920 -8.212 1.00 0.00 O ATOM 704 CB MET B 27 0.993 -1.885 -9.833 1.00 0.00 C ATOM 705 CG MET B 27 1.731 -0.936 -10.755 1.00 0.00 C ATOM 706 SD MET B 27 3.512 -0.982 -10.507 1.00 0.00 S ATOM 707 CE MET B 27 3.749 0.596 -9.705 1.00 0.00 C ATOM 0 H MET B 27 0.006 -0.859 -7.592 1.00 0.00 H new ATOM 0 HA MET B 27 -0.832 -0.929 -10.412 1.00 0.00 H new ATOM 0 HB2 MET B 27 1.536 -1.959 -8.891 1.00 0.00 H new ATOM 0 HB3 MET B 27 0.989 -2.880 -10.277 1.00 0.00 H new ATOM 0 HG2 MET B 27 1.505 -1.191 -11.790 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.370 0.079 -10.591 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.698 0.593 -9.168 1.00 0.00 H new ATOM 0 HE2 MET B 27 3.759 1.387 -10.455 1.00 0.00 H new ATOM 0 HE3 MET B 27 2.935 0.773 -9.002 1.00 0.00 H new ATOM 717 N ALA B 28 -1.391 -3.507 -10.355 1.00 0.00 N ATOM 718 CA ALA B 28 -2.205 -4.719 -10.367 1.00 0.00 C ATOM 719 C ALA B 28 -2.082 -5.573 -9.102 1.00 0.00 C ATOM 720 O ALA B 28 -3.091 -5.897 -8.481 1.00 0.00 O ATOM 721 CB ALA B 28 -1.849 -5.551 -11.590 1.00 0.00 C ATOM 0 H ALA B 28 -0.896 -3.342 -11.231 1.00 0.00 H new ATOM 0 HA ALA B 28 -3.244 -4.392 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.455 -6.457 -11.603 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.043 -4.972 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.794 -5.821 -11.552 1.00 0.00 H new ATOM 727 N GLU B 29 -0.865 -5.928 -8.702 1.00 0.00 N ATOM 728 CA GLU B 29 -0.699 -6.775 -7.523 1.00 0.00 C ATOM 729 C GLU B 29 0.087 -6.091 -6.408 1.00 0.00 C ATOM 730 O GLU B 29 0.401 -6.727 -5.394 1.00 0.00 O ATOM 731 CB GLU B 29 0.019 -8.080 -7.889 1.00 0.00 C ATOM 732 CG GLU B 29 -0.220 -8.554 -9.313 1.00 0.00 C ATOM 733 CD GLU B 29 0.758 -7.935 -10.287 1.00 0.00 C ATOM 734 OE1 GLU B 29 1.743 -7.318 -9.825 1.00 0.00 O ATOM 735 OE2 GLU B 29 0.545 -8.055 -11.509 1.00 0.00 O ATOM 0 H GLU B 29 0.002 -5.651 -9.163 1.00 0.00 H new ATOM 0 HA GLU B 29 -1.706 -6.980 -7.159 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.090 -7.944 -7.740 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.302 -8.862 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -0.134 -9.640 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -1.238 -8.304 -9.613 1.00 0.00 H new ATOM 742 N ARG B 30 0.382 -4.804 -6.540 1.00 0.00 N ATOM 743 CA ARG B 30 1.166 -4.149 -5.499 1.00 0.00 C ATOM 744 C ARG B 30 0.995 -2.637 -5.500 1.00 0.00 C ATOM 745 O ARG B 30 0.734 -2.025 -6.533 1.00 0.00 O ATOM 746 CB ARG B 30 2.658 -4.519 -5.635 1.00 0.00 C ATOM 747 CG ARG B 30 3.484 -3.582 -6.514 1.00 0.00 C ATOM 748 CD ARG B 30 3.065 -3.632 -7.975 1.00 0.00 C ATOM 749 NE ARG B 30 3.251 -4.948 -8.581 1.00 0.00 N ATOM 750 CZ ARG B 30 4.194 -5.222 -9.478 1.00 0.00 C ATOM 751 NH1 ARG B 30 5.089 -4.303 -9.817 1.00 0.00 N ATOM 752 NH2 ARG B 30 4.234 -6.412 -10.052 1.00 0.00 N ATOM 0 H ARG B 30 0.104 -4.212 -7.323 1.00 0.00 H new ATOM 0 HA ARG B 30 0.788 -4.512 -4.543 1.00 0.00 H new ATOM 0 HB2 ARG B 30 3.102 -4.543 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG B 30 2.730 -5.528 -6.040 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.383 -2.561 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.538 -3.848 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG B 30 2.016 -3.347 -8.056 1.00 0.00 H new ATOM 0 HD3 ARG B 30 3.640 -2.896 -8.537 1.00 0.00 H new ATOM 0 HE ARG B 30 2.622 -5.700 -8.300 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.057 -3.378 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.809 -4.522 -10.506 1.00 0.00 H new ATOM 0 HH21 ARG B 30 3.542 -7.120 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.957 -6.622 -10.740 1.00 0.00 H new ATOM 766 N ILE B 31 1.144 -2.052 -4.325 1.00 0.00 N ATOM 767 CA ILE B 31 1.044 -0.616 -4.155 1.00 0.00 C ATOM 768 C ILE B 31 2.447 -0.030 -4.150 1.00 0.00 C ATOM 769 O ILE B 31 3.300 -0.440 -3.356 1.00 0.00 O ATOM 770 CB ILE B 31 0.300 -0.236 -2.847 1.00 0.00 C ATOM 771 CG1 ILE B 31 0.690 1.175 -2.391 1.00 0.00 C ATOM 772 CG2 ILE B 31 0.581 -1.251 -1.745 1.00 0.00 C ATOM 773 CD1 ILE B 31 -0.143 1.698 -1.243 1.00 0.00 C ATOM 0 H ILE B 31 1.338 -2.560 -3.462 1.00 0.00 H new ATOM 0 HA ILE B 31 0.463 -0.207 -4.982 1.00 0.00 H new ATOM 0 HB ILE B 31 -0.770 -0.247 -3.054 1.00 0.00 H new ATOM 0 HG12 ILE B 31 1.739 1.174 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE B 31 0.597 1.858 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE B 31 0.048 -0.962 -0.839 1.00 0.00 H new ATOM 0 HG22 ILE B 31 0.245 -2.237 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE B 31 1.652 -1.281 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.192 2.701 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.191 1.733 -1.540 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -0.032 1.038 -0.383 1.00 0.00 H new ATOM 785 N ALA B 32 2.700 0.895 -5.055 1.00 0.00 N ATOM 786 CA ALA B 32 4.003 1.514 -5.148 1.00 0.00 C ATOM 787 C ALA B 32 3.891 3.025 -5.051 1.00 0.00 C ATOM 788 O ALA B 32 2.837 3.598 -5.307 1.00 0.00 O ATOM 789 CB ALA B 32 4.691 1.111 -6.440 1.00 0.00 C ATOM 0 H ALA B 32 2.019 1.233 -5.735 1.00 0.00 H new ATOM 0 HA ALA B 32 4.608 1.165 -4.311 1.00 0.00 H new ATOM 0 HB1 ALA B 32 5.671 1.586 -6.494 1.00 0.00 H new ATOM 0 HB2 ALA B 32 4.811 0.028 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA B 32 4.086 1.430 -7.289 1.00 0.00 H new ATOM 795 N TRP B 33 4.971 3.655 -4.650 1.00 0.00 N ATOM 796 CA TRP B 33 5.013 5.097 -4.521 1.00 0.00 C ATOM 797 C TRP B 33 6.414 5.586 -4.849 1.00 0.00 C ATOM 798 O TRP B 33 7.409 5.023 -4.381 1.00 0.00 O ATOM 799 CB TRP B 33 4.566 5.503 -3.109 1.00 0.00 C ATOM 800 CG TRP B 33 4.777 6.949 -2.769 1.00 0.00 C ATOM 801 CD1 TRP B 33 3.846 7.934 -2.852 1.00 0.00 C ATOM 802 CD2 TRP B 33 5.975 7.569 -2.280 1.00 0.00 C ATOM 803 NE1 TRP B 33 4.382 9.130 -2.461 1.00 0.00 N ATOM 804 CE2 TRP B 33 5.690 8.935 -2.103 1.00 0.00 C ATOM 805 CE3 TRP B 33 7.260 7.107 -1.978 1.00 0.00 C ATOM 806 CZ2 TRP B 33 6.640 9.840 -1.638 1.00 0.00 C ATOM 807 CZ3 TRP B 33 8.201 8.006 -1.517 1.00 0.00 C ATOM 808 CH2 TRP B 33 7.887 9.360 -1.350 1.00 0.00 C ATOM 0 H TRP B 33 5.843 3.186 -4.404 1.00 0.00 H new ATOM 0 HA TRP B 33 4.324 5.565 -5.224 1.00 0.00 H new ATOM 0 HB2 TRP B 33 3.507 5.270 -2.998 1.00 0.00 H new ATOM 0 HB3 TRP B 33 5.104 4.892 -2.384 1.00 0.00 H new ATOM 0 HD1 TRP B 33 2.827 7.793 -3.180 1.00 0.00 H new ATOM 0 HE1 TRP B 33 3.888 10.022 -2.439 1.00 0.00 H new ATOM 0 HE3 TRP B 33 7.512 6.064 -2.103 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 6.400 10.885 -1.509 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 9.196 7.659 -1.281 1.00 0.00 H new ATOM 0 HH2 TRP B 33 8.645 10.038 -0.987 1.00 0.00 H new ATOM 819 N ALA B 34 6.487 6.612 -5.676 1.00 0.00 N ATOM 820 CA ALA B 34 7.759 7.175 -6.080 1.00 0.00 C ATOM 821 C ALA B 34 7.892 8.591 -5.556 1.00 0.00 C ATOM 822 O ALA B 34 6.939 9.371 -5.615 1.00 0.00 O ATOM 823 CB ALA B 34 7.896 7.154 -7.595 1.00 0.00 C ATOM 0 H ALA B 34 5.674 7.074 -6.083 1.00 0.00 H new ATOM 0 HA ALA B 34 8.559 6.568 -5.656 1.00 0.00 H new ATOM 0 HB1 ALA B 34 8.858 7.581 -7.879 1.00 0.00 H new ATOM 0 HB2 ALA B 34 7.836 6.126 -7.952 1.00 0.00 H new ATOM 0 HB3 ALA B 34 7.093 7.740 -8.041 1.00 0.00 H new ATOM 829 N PRO B 35 9.066 8.938 -5.020 1.00 0.00 N ATOM 830 CA PRO B 35 9.316 10.275 -4.498 1.00 0.00 C ATOM 831 C PRO B 35 9.187 11.323 -5.594 1.00 0.00 C ATOM 832 O PRO B 35 9.306 11.015 -6.784 1.00 0.00 O ATOM 833 CB PRO B 35 10.751 10.211 -3.973 1.00 0.00 C ATOM 834 CG PRO B 35 11.066 8.761 -3.848 1.00 0.00 C ATOM 835 CD PRO B 35 10.236 8.061 -4.883 1.00 0.00 C ATOM 0 HA PRO B 35 8.600 10.559 -3.727 1.00 0.00 H new ATOM 0 HB2 PRO B 35 11.441 10.705 -4.657 1.00 0.00 H new ATOM 0 HB3 PRO B 35 10.840 10.716 -3.011 1.00 0.00 H new ATOM 0 HG2 PRO B 35 12.128 8.578 -4.012 1.00 0.00 H new ATOM 0 HG3 PRO B 35 10.830 8.396 -2.848 1.00 0.00 H new ATOM 0 HD2 PRO B 35 10.773 7.955 -5.826 1.00 0.00 H new ATOM 0 HD3 PRO B 35 9.953 7.058 -4.562 1.00 0.00 H new ATOM 843 N GLU B 36 8.966 12.558 -5.195 1.00 0.00 N ATOM 844 CA GLU B 36 8.789 13.642 -6.138 1.00 0.00 C ATOM 845 C GLU B 36 10.044 13.862 -6.990 1.00 0.00 C ATOM 846 O GLU B 36 11.174 13.818 -6.492 1.00 0.00 O ATOM 847 CB GLU B 36 8.363 14.913 -5.386 1.00 0.00 C ATOM 848 CG GLU B 36 9.497 15.815 -4.913 1.00 0.00 C ATOM 849 CD GLU B 36 10.514 15.135 -4.003 1.00 0.00 C ATOM 850 OE1 GLU B 36 11.661 15.623 -3.923 1.00 0.00 O ATOM 851 OE2 GLU B 36 10.197 14.091 -3.400 1.00 0.00 O ATOM 0 H GLU B 36 8.904 12.837 -4.216 1.00 0.00 H new ATOM 0 HA GLU B 36 7.996 13.377 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU B 36 7.708 15.494 -6.035 1.00 0.00 H new ATOM 0 HB3 GLU B 36 7.772 14.619 -4.519 1.00 0.00 H new ATOM 0 HG2 GLU B 36 10.017 16.210 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU B 36 9.069 16.667 -4.385 1.00 0.00 H new ATOM 858 N GLY B 37 9.832 14.021 -8.293 1.00 0.00 N ATOM 859 CA GLY B 37 10.926 14.258 -9.224 1.00 0.00 C ATOM 860 C GLY B 37 11.928 13.117 -9.304 1.00 0.00 C ATOM 861 O GLY B 37 13.008 13.279 -9.869 1.00 0.00 O ATOM 0 H GLY B 37 8.910 13.990 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY B 37 10.513 14.435 -10.217 1.00 0.00 H new ATOM 0 HA3 GLY B 37 11.449 15.168 -8.930 1.00 0.00 H new ATOM 865 N LYS B 38 11.586 11.963 -8.742 1.00 0.00 N ATOM 866 CA LYS B 38 12.487 10.821 -8.764 1.00 0.00 C ATOM 867 C LYS B 38 11.913 9.694 -9.618 1.00 0.00 C ATOM 868 O LYS B 38 10.711 9.431 -9.598 1.00 0.00 O ATOM 869 CB LYS B 38 12.795 10.367 -7.334 1.00 0.00 C ATOM 870 CG LYS B 38 13.500 11.452 -6.528 1.00 0.00 C ATOM 871 CD LYS B 38 13.717 11.060 -5.077 1.00 0.00 C ATOM 872 CE LYS B 38 13.867 12.290 -4.190 1.00 0.00 C ATOM 873 NZ LYS B 38 12.641 13.135 -4.195 1.00 0.00 N ATOM 0 H LYS B 38 10.698 11.796 -8.269 1.00 0.00 H new ATOM 0 HA LYS B 38 13.429 11.117 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS B 38 11.867 10.090 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS B 38 13.420 9.474 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS B 38 14.463 11.672 -6.988 1.00 0.00 H new ATOM 0 HG3 LYS B 38 12.911 12.368 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS B 38 12.876 10.459 -4.730 1.00 0.00 H new ATOM 0 HD3 LYS B 38 14.609 10.438 -4.995 1.00 0.00 H new ATOM 0 HE2 LYS B 38 14.087 11.976 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS B 38 14.716 12.882 -4.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 12.910 14.137 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 12.114 12.976 -5.077 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 12.042 12.882 -3.383 1.00 0.00 H new ATOM 887 N ASP B 39 12.794 9.042 -10.363 1.00 0.00 N ATOM 888 CA ASP B 39 12.424 7.967 -11.287 1.00 0.00 C ATOM 889 C ASP B 39 12.330 6.600 -10.611 1.00 0.00 C ATOM 890 O ASP B 39 11.776 5.660 -11.180 1.00 0.00 O ATOM 891 CB ASP B 39 13.468 7.888 -12.407 1.00 0.00 C ATOM 892 CG ASP B 39 14.837 7.463 -11.893 1.00 0.00 C ATOM 893 OD1 ASP B 39 15.213 7.875 -10.771 1.00 0.00 O ATOM 894 OD2 ASP B 39 15.545 6.716 -12.598 1.00 0.00 O ATOM 0 H ASP B 39 13.794 9.242 -10.347 1.00 0.00 H new ATOM 0 HA ASP B 39 11.435 8.208 -11.676 1.00 0.00 H new ATOM 0 HB2 ASP B 39 13.131 7.181 -13.165 1.00 0.00 H new ATOM 0 HB3 ASP B 39 13.551 8.860 -12.893 1.00 0.00 H new ATOM 899 N ARG B 40 12.851 6.481 -9.404 1.00 0.00 N ATOM 900 CA ARG B 40 12.839 5.200 -8.713 1.00 0.00 C ATOM 901 C ARG B 40 11.818 5.161 -7.586 1.00 0.00 C ATOM 902 O ARG B 40 11.766 6.056 -6.741 1.00 0.00 O ATOM 903 CB ARG B 40 14.233 4.871 -8.173 1.00 0.00 C ATOM 904 CG ARG B 40 14.919 6.043 -7.488 1.00 0.00 C ATOM 905 CD ARG B 40 16.395 6.106 -7.849 1.00 0.00 C ATOM 906 NE ARG B 40 16.596 6.200 -9.297 1.00 0.00 N ATOM 907 CZ ARG B 40 17.552 5.566 -9.971 1.00 0.00 C ATOM 908 NH1 ARG B 40 18.448 4.823 -9.328 1.00 0.00 N ATOM 909 NH2 ARG B 40 17.604 5.670 -11.293 1.00 0.00 N ATOM 0 H ARG B 40 13.284 7.245 -8.884 1.00 0.00 H new ATOM 0 HA ARG B 40 12.547 4.445 -9.443 1.00 0.00 H new ATOM 0 HB2 ARG B 40 14.153 4.045 -7.466 1.00 0.00 H new ATOM 0 HB3 ARG B 40 14.859 4.526 -8.996 1.00 0.00 H new ATOM 0 HG2 ARG B 40 14.431 6.973 -7.779 1.00 0.00 H new ATOM 0 HG3 ARG B 40 14.810 5.950 -6.407 1.00 0.00 H new ATOM 0 HD2 ARG B 40 16.852 6.967 -7.362 1.00 0.00 H new ATOM 0 HD3 ARG B 40 16.901 5.219 -7.468 1.00 0.00 H new ATOM 0 HE ARG B 40 15.958 6.794 -9.826 1.00 0.00 H new ATOM 0 HH11 ARG B 40 18.405 4.737 -8.313 1.00 0.00 H new ATOM 0 HH12 ARG B 40 19.179 4.339 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG B 40 16.913 6.234 -11.788 1.00 0.00 H new ATOM 0 HH22 ARG B 40 18.335 5.186 -11.814 1.00 0.00 H new ATOM 923 N PHE B 41 11.005 4.112 -7.591 1.00 0.00 N ATOM 924 CA PHE B 41 9.990 3.912 -6.568 1.00 0.00 C ATOM 925 C PHE B 41 10.648 3.372 -5.307 1.00 0.00 C ATOM 926 O PHE B 41 11.280 2.319 -5.338 1.00 0.00 O ATOM 927 CB PHE B 41 8.923 2.917 -7.045 1.00 0.00 C ATOM 928 CG PHE B 41 8.217 3.312 -8.313 1.00 0.00 C ATOM 929 CD1 PHE B 41 6.937 3.839 -8.269 1.00 0.00 C ATOM 930 CD2 PHE B 41 8.826 3.145 -9.548 1.00 0.00 C ATOM 931 CE1 PHE B 41 6.278 4.194 -9.431 1.00 0.00 C ATOM 932 CE2 PHE B 41 8.173 3.501 -10.712 1.00 0.00 C ATOM 933 CZ PHE B 41 6.897 4.026 -10.654 1.00 0.00 C ATOM 0 H PHE B 41 11.031 3.380 -8.301 1.00 0.00 H new ATOM 0 HA PHE B 41 9.509 4.869 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE B 41 9.393 1.945 -7.195 1.00 0.00 H new ATOM 0 HB3 PHE B 41 8.182 2.794 -6.256 1.00 0.00 H new ATOM 0 HD1 PHE B 41 6.448 3.974 -7.316 1.00 0.00 H new ATOM 0 HD2 PHE B 41 9.822 2.732 -9.600 1.00 0.00 H new ATOM 0 HE1 PHE B 41 5.279 4.603 -9.382 1.00 0.00 H new ATOM 0 HE2 PHE B 41 8.660 3.369 -11.667 1.00 0.00 H new ATOM 0 HZ PHE B 41 6.384 4.305 -11.563 1.00 0.00 H new ATOM 943 N THR B 42 10.509 4.089 -4.207 1.00 0.00 N ATOM 944 CA THR B 42 11.101 3.657 -2.953 1.00 0.00 C ATOM 945 C THR B 42 10.092 2.877 -2.121 1.00 0.00 C ATOM 946 O THR B 42 10.428 2.302 -1.087 1.00 0.00 O ATOM 947 CB THR B 42 11.622 4.860 -2.150 1.00 0.00 C ATOM 948 OG1 THR B 42 10.663 5.925 -2.195 1.00 0.00 O ATOM 949 CG2 THR B 42 12.953 5.345 -2.712 1.00 0.00 C ATOM 0 H THR B 42 9.995 4.968 -4.155 1.00 0.00 H new ATOM 0 HA THR B 42 11.942 3.004 -3.189 1.00 0.00 H new ATOM 0 HB THR B 42 11.773 4.548 -1.117 1.00 0.00 H new ATOM 0 HG1 THR B 42 10.919 6.623 -1.557 1.00 0.00 H new ATOM 0 HG21 THR B 42 13.305 6.197 -2.130 1.00 0.00 H new ATOM 0 HG22 THR B 42 13.686 4.540 -2.657 1.00 0.00 H new ATOM 0 HG23 THR B 42 12.821 5.645 -3.751 1.00 0.00 H new ATOM 957 N ILE B 43 8.851 2.866 -2.585 1.00 0.00 N ATOM 958 CA ILE B 43 7.782 2.161 -1.899 1.00 0.00 C ATOM 959 C ILE B 43 7.187 1.094 -2.805 1.00 0.00 C ATOM 960 O ILE B 43 6.685 1.401 -3.885 1.00 0.00 O ATOM 961 CB ILE B 43 6.669 3.136 -1.449 1.00 0.00 C ATOM 962 CG1 ILE B 43 7.170 4.025 -0.308 1.00 0.00 C ATOM 963 CG2 ILE B 43 5.417 2.382 -1.026 1.00 0.00 C ATOM 964 CD1 ILE B 43 7.623 3.252 0.914 1.00 0.00 C ATOM 0 H ILE B 43 8.560 3.341 -3.439 1.00 0.00 H new ATOM 0 HA ILE B 43 8.209 1.689 -1.014 1.00 0.00 H new ATOM 0 HB ILE B 43 6.409 3.768 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE B 43 7.999 4.633 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE B 43 6.374 4.711 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE B 43 4.652 3.093 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE B 43 5.046 1.794 -1.865 1.00 0.00 H new ATOM 0 HG23 ILE B 43 5.655 1.718 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.964 3.949 1.680 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.791 2.665 1.302 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.441 2.585 0.640 1.00 0.00 H new ATOM 976 N SER B 44 7.284 -0.155 -2.377 1.00 0.00 N ATOM 977 CA SER B 44 6.740 -1.268 -3.133 1.00 0.00 C ATOM 978 C SER B 44 6.273 -2.362 -2.179 1.00 0.00 C ATOM 979 O SER B 44 7.084 -3.117 -1.642 1.00 0.00 O ATOM 980 CB SER B 44 7.789 -1.814 -4.110 1.00 0.00 C ATOM 981 OG SER B 44 7.244 -2.824 -4.946 1.00 0.00 O ATOM 0 H SER B 44 7.738 -0.423 -1.504 1.00 0.00 H new ATOM 0 HA SER B 44 5.885 -0.920 -3.712 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.174 -1.000 -4.724 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.633 -2.219 -3.551 1.00 0.00 H new ATOM 0 HG SER B 44 7.936 -3.151 -5.558 1.00 0.00 H new ATOM 987 N HIS B 45 4.970 -2.430 -1.955 1.00 0.00 N ATOM 988 CA HIS B 45 4.396 -3.435 -1.068 1.00 0.00 C ATOM 989 C HIS B 45 3.346 -4.229 -1.820 1.00 0.00 C ATOM 990 O HIS B 45 2.548 -3.656 -2.562 1.00 0.00 O ATOM 991 CB HIS B 45 3.753 -2.789 0.169 1.00 0.00 C ATOM 992 CG HIS B 45 4.629 -1.803 0.878 1.00 0.00 C ATOM 993 ND1 HIS B 45 5.562 -2.143 1.833 1.00 0.00 N ATOM 994 CD2 HIS B 45 4.702 -0.456 0.747 1.00 0.00 C ATOM 995 CE1 HIS B 45 6.163 -1.017 2.240 1.00 0.00 C ATOM 996 NE2 HIS B 45 5.677 0.035 1.609 1.00 0.00 N ATOM 0 H HIS B 45 4.287 -1.800 -2.376 1.00 0.00 H new ATOM 0 HA HIS B 45 5.199 -4.091 -0.733 1.00 0.00 H new ATOM 0 HB2 HIS B 45 2.834 -2.288 -0.134 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.471 -3.575 0.869 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.760 -3.085 2.170 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.099 0.141 0.079 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.943 -0.976 2.986 1.00 0.00 H new ATOM 1004 N MET B 46 3.335 -5.536 -1.644 1.00 0.00 N ATOM 1005 CA MET B 46 2.359 -6.359 -2.325 1.00 0.00 C ATOM 1006 C MET B 46 1.108 -6.469 -1.473 1.00 0.00 C ATOM 1007 O MET B 46 1.189 -6.544 -0.251 1.00 0.00 O ATOM 1008 CB MET B 46 2.921 -7.750 -2.635 1.00 0.00 C ATOM 1009 CG MET B 46 4.087 -7.729 -3.611 1.00 0.00 C ATOM 1010 SD MET B 46 4.281 -9.283 -4.508 1.00 0.00 S ATOM 1011 CE MET B 46 2.777 -9.311 -5.479 1.00 0.00 C ATOM 0 H MET B 46 3.983 -6.045 -1.043 1.00 0.00 H new ATOM 0 HA MET B 46 2.110 -5.887 -3.276 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.244 -8.218 -1.705 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.125 -8.372 -3.045 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.941 -6.919 -4.325 1.00 0.00 H new ATOM 0 HG3 MET B 46 5.006 -7.513 -3.066 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.936 -9.906 -6.379 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.972 -9.751 -4.890 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.506 -8.293 -5.760 1.00 0.00 H new ATOM 1021 N TYR B 47 -0.046 -6.464 -2.125 1.00 0.00 N ATOM 1022 CA TYR B 47 -1.336 -6.565 -1.435 1.00 0.00 C ATOM 1023 C TYR B 47 -1.401 -7.837 -0.598 1.00 0.00 C ATOM 1024 O TYR B 47 -2.147 -7.915 0.375 1.00 0.00 O ATOM 1025 CB TYR B 47 -2.461 -6.560 -2.471 1.00 0.00 C ATOM 1026 CG TYR B 47 -2.450 -5.336 -3.360 1.00 0.00 C ATOM 1027 CD1 TYR B 47 -2.117 -4.088 -2.850 1.00 0.00 C ATOM 1028 CD2 TYR B 47 -2.768 -5.428 -4.706 1.00 0.00 C ATOM 1029 CE1 TYR B 47 -2.100 -2.969 -3.655 1.00 0.00 C ATOM 1030 CE2 TYR B 47 -2.754 -4.311 -5.516 1.00 0.00 C ATOM 1031 CZ TYR B 47 -2.419 -3.085 -4.985 1.00 0.00 C ATOM 1032 OH TYR B 47 -2.397 -1.970 -5.790 1.00 0.00 O ATOM 0 H TYR B 47 -0.121 -6.391 -3.140 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.449 -5.712 -0.765 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.378 -7.452 -3.092 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.420 -6.618 -1.956 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.867 -3.992 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -3.030 -6.387 -5.127 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.837 -2.007 -3.242 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -3.005 -4.398 -6.563 1.00 0.00 H new ATOM 0 HH TYR B 47 -1.982 -2.195 -6.649 1.00 0.00 H new ATOM 1042 N ALA B 48 -0.586 -8.814 -0.972 1.00 0.00 N ATOM 1043 CA ALA B 48 -0.537 -10.089 -0.280 1.00 0.00 C ATOM 1044 C ALA B 48 0.068 -9.957 1.120 1.00 0.00 C ATOM 1045 O ALA B 48 -0.259 -10.742 2.004 1.00 0.00 O ATOM 1046 CB ALA B 48 0.254 -11.094 -1.102 1.00 0.00 C ATOM 0 H ALA B 48 0.056 -8.743 -1.761 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.561 -10.442 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA B 48 0.287 -12.048 -0.577 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.226 -11.230 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA B 48 1.269 -10.726 -1.248 1.00 0.00 H new ATOM 1052 N ASP B 49 0.934 -8.956 1.313 1.00 0.00 N ATOM 1053 CA ASP B 49 1.598 -8.732 2.595 1.00 0.00 C ATOM 1054 C ASP B 49 0.847 -7.707 3.430 1.00 0.00 C ATOM 1055 O ASP B 49 1.197 -7.453 4.588 1.00 0.00 O ATOM 1056 CB ASP B 49 3.009 -8.196 2.412 1.00 0.00 C ATOM 1057 CG ASP B 49 3.686 -8.633 1.124 1.00 0.00 C ATOM 1058 OD1 ASP B 49 4.019 -7.743 0.304 1.00 0.00 O ATOM 1059 OD2 ASP B 49 3.886 -9.848 0.930 1.00 0.00 O ATOM 0 H ASP B 49 1.191 -8.285 0.589 1.00 0.00 H new ATOM 0 HA ASP B 49 1.621 -9.701 3.093 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.977 -7.107 2.439 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.619 -8.518 3.256 1.00 0.00 H new ATOM 1064 N ILE B 50 -0.174 -7.106 2.857 1.00 0.00 N ATOM 1065 CA ILE B 50 -0.945 -6.113 3.576 1.00 0.00 C ATOM 1066 C ILE B 50 -2.079 -6.813 4.318 1.00 0.00 C ATOM 1067 O ILE B 50 -2.806 -7.607 3.726 1.00 0.00 O ATOM 1068 CB ILE B 50 -1.528 -5.042 2.631 1.00 0.00 C ATOM 1069 CG1 ILE B 50 -0.578 -4.762 1.457 1.00 0.00 C ATOM 1070 CG2 ILE B 50 -1.817 -3.762 3.394 1.00 0.00 C ATOM 1071 CD1 ILE B 50 0.644 -3.944 1.815 1.00 0.00 C ATOM 0 H ILE B 50 -0.488 -7.285 1.903 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.282 -5.606 4.277 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.463 -5.426 2.224 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.252 -5.713 1.036 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.131 -4.241 0.676 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.228 -3.017 2.713 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -2.537 -3.965 4.186 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.894 -3.383 3.832 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.256 -3.796 0.925 1.00 0.00 H new ATOM 0 HD12 ILE B 50 0.332 -2.976 2.206 1.00 0.00 H new ATOM 0 HD13 ILE B 50 1.225 -4.470 2.572 1.00 0.00 H new ATOM 1083 N LYS B 51 -2.227 -6.532 5.603 1.00 0.00 N ATOM 1084 CA LYS B 51 -3.259 -7.173 6.403 1.00 0.00 C ATOM 1085 C LYS B 51 -4.547 -6.363 6.366 1.00 0.00 C ATOM 1086 O LYS B 51 -5.643 -6.913 6.274 1.00 0.00 O ATOM 1087 CB LYS B 51 -2.791 -7.330 7.848 1.00 0.00 C ATOM 1088 CG LYS B 51 -3.841 -7.941 8.754 1.00 0.00 C ATOM 1089 CD LYS B 51 -4.022 -7.116 10.009 1.00 0.00 C ATOM 1090 CE LYS B 51 -5.375 -7.360 10.658 1.00 0.00 C ATOM 1091 NZ LYS B 51 -5.405 -8.638 11.418 1.00 0.00 N ATOM 0 H LYS B 51 -1.647 -5.866 6.113 1.00 0.00 H new ATOM 0 HA LYS B 51 -3.451 -8.159 5.981 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -1.897 -7.953 7.868 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.507 -6.353 8.239 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -4.789 -8.012 8.221 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -3.549 -8.957 9.021 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.230 -7.356 10.719 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.922 -6.058 9.766 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.610 -6.534 11.329 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -6.148 -7.377 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -6.387 -8.973 11.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -4.834 -9.351 10.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -5.015 -8.485 12.370 1.00 0.00 H new ATOM 1105 N CYS B 52 -4.388 -5.055 6.451 1.00 0.00 N ATOM 1106 CA CYS B 52 -5.496 -4.124 6.444 1.00 0.00 C ATOM 1107 C CYS B 52 -4.963 -2.733 6.152 1.00 0.00 C ATOM 1108 O CYS B 52 -3.762 -2.563 5.920 1.00 0.00 O ATOM 1109 CB CYS B 52 -6.211 -4.150 7.794 1.00 0.00 C ATOM 1110 SG CYS B 52 -5.101 -4.086 9.220 1.00 0.00 S ATOM 0 H CYS B 52 -3.475 -4.607 6.528 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.214 -4.407 5.674 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -6.899 -3.306 7.845 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -6.813 -5.056 7.857 1.00 0.00 H new ATOM 0 HG CYS B 52 -5.262 -2.957 9.845 1.00 0.00 H new ATOM 1116 N GLN B 53 -5.825 -1.738 6.153 1.00 0.00 N ATOM 1117 CA GLN B 53 -5.383 -0.385 5.880 1.00 0.00 C ATOM 1118 C GLN B 53 -6.094 0.625 6.779 1.00 0.00 C ATOM 1119 O GLN B 53 -7.261 0.442 7.130 1.00 0.00 O ATOM 1120 CB GLN B 53 -5.648 -0.041 4.417 1.00 0.00 C ATOM 1121 CG GLN B 53 -7.116 0.194 4.103 1.00 0.00 C ATOM 1122 CD GLN B 53 -7.447 -0.052 2.652 1.00 0.00 C ATOM 1123 OE1 GLN B 53 -7.296 0.833 1.815 1.00 0.00 O ATOM 1124 NE2 GLN B 53 -7.914 -1.251 2.348 1.00 0.00 N ATOM 0 H GLN B 53 -6.823 -1.837 6.337 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.314 -0.332 6.086 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.081 0.852 4.154 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.276 -0.851 3.789 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.726 -0.460 4.727 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.379 1.219 4.363 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.023 -1.956 3.077 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.165 -1.471 1.384 1.00 0.00 H new ATOM 1133 N LYS B 54 -5.396 1.684 7.172 1.00 0.00 N ATOM 1134 CA LYS B 54 -6.013 2.724 7.978 1.00 0.00 C ATOM 1135 C LYS B 54 -6.191 3.955 7.120 1.00 0.00 C ATOM 1136 O LYS B 54 -5.293 4.311 6.364 1.00 0.00 O ATOM 1137 CB LYS B 54 -5.156 3.171 9.165 1.00 0.00 C ATOM 1138 CG LYS B 54 -4.953 2.193 10.298 1.00 0.00 C ATOM 1139 CD LYS B 54 -4.465 2.954 11.524 1.00 0.00 C ATOM 1140 CE LYS B 54 -4.320 2.084 12.756 1.00 0.00 C ATOM 1141 NZ LYS B 54 -3.328 0.990 12.563 1.00 0.00 N ATOM 0 H LYS B 54 -4.414 1.842 6.948 1.00 0.00 H new ATOM 0 HA LYS B 54 -6.946 2.303 8.352 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -4.174 3.448 8.783 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -5.604 4.074 9.579 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -5.886 1.676 10.522 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.227 1.431 10.013 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -3.503 3.413 11.298 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.162 3.764 11.741 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -4.016 2.702 13.601 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -5.288 1.653 13.009 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -2.756 0.884 13.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -3.827 0.099 12.368 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -2.707 1.222 11.762 1.00 0.00 H new ATOM 1155 N ILE B 55 -7.328 4.600 7.210 1.00 0.00 N ATOM 1156 CA ILE B 55 -7.519 5.830 6.477 1.00 0.00 C ATOM 1157 C ILE B 55 -7.772 6.922 7.506 1.00 0.00 C ATOM 1158 O ILE B 55 -8.624 6.769 8.384 1.00 0.00 O ATOM 1159 CB ILE B 55 -8.645 5.748 5.399 1.00 0.00 C ATOM 1160 CG1 ILE B 55 -10.019 6.165 5.923 1.00 0.00 C ATOM 1161 CG2 ILE B 55 -8.729 4.335 4.838 1.00 0.00 C ATOM 1162 CD1 ILE B 55 -10.925 6.686 4.822 1.00 0.00 C ATOM 0 H ILE B 55 -8.124 4.302 7.773 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.625 6.051 5.894 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.371 6.457 4.617 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -10.494 5.312 6.407 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.896 6.936 6.684 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -9.517 4.288 4.087 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.776 4.068 4.381 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.954 3.636 5.644 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.888 6.969 5.247 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.465 7.557 4.354 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -11.073 5.907 4.074 1.00 0.00 H new ATOM 1174 N SER B 56 -6.977 7.978 7.465 1.00 0.00 N ATOM 1175 CA SER B 56 -7.128 9.045 8.429 1.00 0.00 C ATOM 1176 C SER B 56 -8.192 10.012 7.946 1.00 0.00 C ATOM 1177 O SER B 56 -8.065 10.623 6.863 1.00 0.00 O ATOM 1178 CB SER B 56 -5.800 9.753 8.707 1.00 0.00 C ATOM 1179 OG SER B 56 -5.595 10.851 7.848 1.00 0.00 O ATOM 0 H SER B 56 -6.231 8.115 6.783 1.00 0.00 H new ATOM 0 HA SER B 56 -7.448 8.617 9.379 1.00 0.00 H new ATOM 0 HB2 SER B 56 -5.781 10.094 9.742 1.00 0.00 H new ATOM 0 HB3 SER B 56 -4.980 9.044 8.590 1.00 0.00 H new ATOM 0 HG SER B 56 -5.058 11.530 8.307 1.00 0.00 H new ATOM 1185 N PRO B 57 -9.254 10.117 8.760 1.00 0.00 N ATOM 1186 CA PRO B 57 -10.432 10.952 8.506 1.00 0.00 C ATOM 1187 C PRO B 57 -10.159 12.445 8.581 1.00 0.00 C ATOM 1188 O PRO B 57 -9.057 12.885 8.923 1.00 0.00 O ATOM 1189 CB PRO B 57 -11.390 10.553 9.632 1.00 0.00 C ATOM 1190 CG PRO B 57 -10.490 10.125 10.734 1.00 0.00 C ATOM 1191 CD PRO B 57 -9.365 9.415 10.051 1.00 0.00 C ATOM 0 HA PRO B 57 -10.809 10.791 7.496 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -12.021 11.389 9.934 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -12.055 9.746 9.323 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.130 10.980 11.306 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -11.006 9.468 11.434 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -8.441 9.480 10.625 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.582 8.355 9.915 1.00 0.00 H new ATOM 1199 N GLU B 58 -11.179 13.209 8.216 1.00 0.00 N ATOM 1200 CA GLU B 58 -11.126 14.658 8.246 1.00 0.00 C ATOM 1201 C GLU B 58 -10.827 15.138 9.666 1.00 0.00 C ATOM 1202 O GLU B 58 -11.045 14.415 10.639 1.00 0.00 O ATOM 1203 CB GLU B 58 -12.450 15.259 7.751 1.00 0.00 C ATOM 1204 CG GLU B 58 -13.310 14.302 6.927 1.00 0.00 C ATOM 1205 CD GLU B 58 -12.598 13.764 5.697 1.00 0.00 C ATOM 1206 OE1 GLU B 58 -12.231 12.566 5.698 1.00 0.00 O ATOM 1207 OE2 GLU B 58 -12.400 14.531 4.740 1.00 0.00 O ATOM 0 H GLU B 58 -12.070 12.836 7.889 1.00 0.00 H new ATOM 0 HA GLU B 58 -10.329 14.991 7.581 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -13.027 15.595 8.613 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -12.232 16.141 7.149 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -13.616 13.466 7.556 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -14.219 14.817 6.616 1.00 0.00 H new ATOM 1214 N GLY B 59 -10.362 16.366 9.777 1.00 0.00 N ATOM 1215 CA GLY B 59 -10.004 16.917 11.067 1.00 0.00 C ATOM 1216 C GLY B 59 -8.518 17.167 11.132 1.00 0.00 C ATOM 1217 O GLY B 59 -8.055 18.070 11.829 1.00 0.00 O ATOM 0 H GLY B 59 -10.224 17.000 8.990 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -10.545 17.848 11.236 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -10.299 16.229 11.859 1.00 0.00 H new ATOM 1221 N LYS B 60 -7.772 16.363 10.388 1.00 0.00 N ATOM 1222 CA LYS B 60 -6.335 16.529 10.290 1.00 0.00 C ATOM 1223 C LYS B 60 -6.056 17.519 9.185 1.00 0.00 C ATOM 1224 O LYS B 60 -6.865 17.675 8.267 1.00 0.00 O ATOM 1225 CB LYS B 60 -5.624 15.199 9.985 1.00 0.00 C ATOM 1226 CG LYS B 60 -5.207 14.422 11.222 1.00 0.00 C ATOM 1227 CD LYS B 60 -4.261 13.262 10.893 1.00 0.00 C ATOM 1228 CE LYS B 60 -3.592 12.713 12.146 1.00 0.00 C ATOM 1229 NZ LYS B 60 -4.118 13.351 13.381 1.00 0.00 N ATOM 0 H LYS B 60 -8.144 15.586 9.842 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.953 16.887 11.246 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -6.285 14.576 9.383 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -4.740 15.402 9.381 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.718 15.097 11.924 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -6.095 14.033 11.720 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.818 12.466 10.399 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.499 13.601 10.191 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -3.749 11.636 12.199 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.516 12.875 12.084 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -3.725 12.869 14.215 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -3.842 14.354 13.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -5.155 13.277 13.395 1.00 0.00 H new ATOM 1243 N ALA B 61 -4.930 18.198 9.274 1.00 0.00 N ATOM 1244 CA ALA B 61 -4.553 19.164 8.257 1.00 0.00 C ATOM 1245 C ALA B 61 -4.253 18.454 6.958 1.00 0.00 C ATOM 1246 O ALA B 61 -4.160 19.069 5.898 1.00 0.00 O ATOM 1247 CB ALA B 61 -3.344 19.947 8.702 1.00 0.00 C ATOM 0 H ALA B 61 -4.260 18.101 10.037 1.00 0.00 H new ATOM 0 HA ALA B 61 -5.383 19.854 8.105 1.00 0.00 H new ATOM 0 HB1 ALA B 61 -3.073 20.667 7.930 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -3.573 20.476 9.627 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -2.511 19.265 8.871 1.00 0.00 H new ATOM 1253 N LYS B 62 -4.099 17.151 7.058 1.00 0.00 N ATOM 1254 CA LYS B 62 -3.812 16.345 5.911 1.00 0.00 C ATOM 1255 C LYS B 62 -4.627 15.064 5.942 1.00 0.00 C ATOM 1256 O LYS B 62 -4.845 14.479 7.004 1.00 0.00 O ATOM 1257 CB LYS B 62 -2.329 16.000 5.857 1.00 0.00 C ATOM 1258 CG LYS B 62 -1.832 15.232 7.068 1.00 0.00 C ATOM 1259 CD LYS B 62 -1.063 16.125 8.023 1.00 0.00 C ATOM 1260 CE LYS B 62 -0.163 15.304 8.928 1.00 0.00 C ATOM 1261 NZ LYS B 62 0.731 16.159 9.749 1.00 0.00 N ATOM 0 H LYS B 62 -4.170 16.632 7.933 1.00 0.00 H new ATOM 0 HA LYS B 62 -4.079 16.917 5.023 1.00 0.00 H new ATOM 0 HB2 LYS B 62 -2.135 15.411 4.961 1.00 0.00 H new ATOM 0 HB3 LYS B 62 -1.755 16.922 5.763 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -2.679 14.787 7.589 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -1.192 14.412 6.741 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.463 16.838 7.457 1.00 0.00 H new ATOM 0 HD3 LYS B 62 -1.761 16.705 8.627 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.776 14.686 9.584 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.439 14.627 8.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 1.328 15.558 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 1.334 16.731 9.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 0.157 16.788 10.347 1.00 0.00 H new ATOM 1275 N ILE B 63 -5.087 14.646 4.784 1.00 0.00 N ATOM 1276 CA ILE B 63 -5.836 13.413 4.663 1.00 0.00 C ATOM 1277 C ILE B 63 -4.817 12.292 4.542 1.00 0.00 C ATOM 1278 O ILE B 63 -3.860 12.424 3.787 1.00 0.00 O ATOM 1279 CB ILE B 63 -6.767 13.460 3.435 1.00 0.00 C ATOM 1280 CG1 ILE B 63 -7.901 14.458 3.673 1.00 0.00 C ATOM 1281 CG2 ILE B 63 -7.332 12.089 3.129 1.00 0.00 C ATOM 1282 CD1 ILE B 63 -7.610 15.858 3.168 1.00 0.00 C ATOM 0 H ILE B 63 -4.954 15.146 3.905 1.00 0.00 H new ATOM 0 HA ILE B 63 -6.476 13.255 5.531 1.00 0.00 H new ATOM 0 HB ILE B 63 -6.181 13.785 2.575 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -8.804 14.088 3.187 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -8.111 14.505 4.742 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -7.985 12.151 2.259 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -6.516 11.397 2.922 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -7.902 11.731 3.986 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -8.463 16.504 3.375 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -6.727 16.250 3.672 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -7.431 15.827 2.093 1.00 0.00 H new ATOM 1294 N GLN B 64 -4.974 11.195 5.272 1.00 0.00 N ATOM 1295 CA GLN B 64 -3.938 10.161 5.214 1.00 0.00 C ATOM 1296 C GLN B 64 -4.470 8.752 5.069 1.00 0.00 C ATOM 1297 O GLN B 64 -5.646 8.474 5.276 1.00 0.00 O ATOM 1298 CB GLN B 64 -3.050 10.204 6.457 1.00 0.00 C ATOM 1299 CG GLN B 64 -2.618 11.595 6.877 1.00 0.00 C ATOM 1300 CD GLN B 64 -2.032 11.609 8.272 1.00 0.00 C ATOM 1301 OE1 GLN B 64 -1.183 12.436 8.586 1.00 0.00 O ATOM 1302 NE2 GLN B 64 -2.490 10.696 9.121 1.00 0.00 N ATOM 0 H GLN B 64 -5.766 10.998 5.884 1.00 0.00 H new ATOM 0 HA GLN B 64 -3.370 10.395 4.314 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -3.584 9.738 7.285 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -2.160 9.602 6.273 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -1.880 11.975 6.170 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -3.474 12.268 6.837 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -3.197 10.027 8.817 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.135 10.664 10.077 1.00 0.00 H new ATOM 1311 N LEU B 65 -3.565 7.880 4.664 1.00 0.00 N ATOM 1312 CA LEU B 65 -3.836 6.470 4.509 1.00 0.00 C ATOM 1313 C LEU B 65 -2.623 5.701 5.018 1.00 0.00 C ATOM 1314 O LEU B 65 -1.528 6.245 5.026 1.00 0.00 O ATOM 1315 CB LEU B 65 -4.046 6.129 3.040 1.00 0.00 C ATOM 1316 CG LEU B 65 -4.927 4.918 2.774 1.00 0.00 C ATOM 1317 CD1 LEU B 65 -6.372 5.346 2.621 1.00 0.00 C ATOM 1318 CD2 LEU B 65 -4.449 4.167 1.550 1.00 0.00 C ATOM 0 H LEU B 65 -2.607 8.140 4.431 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.735 6.207 5.066 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -4.485 6.994 2.542 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -3.072 5.957 2.581 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.859 4.242 3.626 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.993 4.470 2.431 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -6.705 5.835 3.536 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -6.459 6.041 1.786 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -5.093 3.305 1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -4.485 4.826 0.682 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.425 3.829 1.707 1.00 0.00 H new ATOM 1330 N GLN B 66 -2.799 4.479 5.484 1.00 0.00 N ATOM 1331 CA GLN B 66 -1.661 3.694 5.938 1.00 0.00 C ATOM 1332 C GLN B 66 -1.885 2.220 5.653 1.00 0.00 C ATOM 1333 O GLN B 66 -3.009 1.725 5.708 1.00 0.00 O ATOM 1334 CB GLN B 66 -1.364 3.903 7.433 1.00 0.00 C ATOM 1335 CG GLN B 66 -2.075 2.929 8.355 1.00 0.00 C ATOM 1336 CD GLN B 66 -1.599 2.994 9.799 1.00 0.00 C ATOM 1337 OE1 GLN B 66 -1.625 1.993 10.514 1.00 0.00 O ATOM 1338 NE2 GLN B 66 -1.182 4.164 10.248 1.00 0.00 N ATOM 0 H GLN B 66 -3.703 4.012 5.559 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.792 4.043 5.381 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.289 3.817 7.593 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.647 4.919 7.709 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.146 3.130 8.325 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -1.931 1.916 7.980 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -1.173 4.974 9.629 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -0.869 4.257 11.214 1.00 0.00 H new ATOM 1347 N LEU B 67 -0.807 1.536 5.341 1.00 0.00 N ATOM 1348 CA LEU B 67 -0.847 0.119 5.058 1.00 0.00 C ATOM 1349 C LEU B 67 -0.473 -0.669 6.297 1.00 0.00 C ATOM 1350 O LEU B 67 0.666 -0.616 6.743 1.00 0.00 O ATOM 1351 CB LEU B 67 0.136 -0.221 3.941 1.00 0.00 C ATOM 1352 CG LEU B 67 -0.198 0.344 2.566 1.00 0.00 C ATOM 1353 CD1 LEU B 67 0.931 0.039 1.597 1.00 0.00 C ATOM 1354 CD2 LEU B 67 -1.512 -0.228 2.057 1.00 0.00 C ATOM 0 H LEU B 67 0.124 1.948 5.276 1.00 0.00 H new ATOM 0 HA LEU B 67 -1.859 -0.143 4.748 1.00 0.00 H new ATOM 0 HB2 LEU B 67 1.123 0.139 4.230 1.00 0.00 H new ATOM 0 HB3 LEU B 67 0.203 -1.306 3.860 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.310 1.425 2.646 1.00 0.00 H new ATOM 0 HD11 LEU B 67 0.687 0.445 0.615 1.00 0.00 H new ATOM 0 HD12 LEU B 67 1.854 0.493 1.959 1.00 0.00 H new ATOM 0 HD13 LEU B 67 1.063 -1.040 1.521 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -1.733 0.188 1.074 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.432 -1.313 1.983 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -2.314 0.030 2.749 1.00 0.00 H new ATOM 1366 N VAL B 68 -1.424 -1.380 6.864 1.00 0.00 N ATOM 1367 CA VAL B 68 -1.153 -2.186 8.037 1.00 0.00 C ATOM 1368 C VAL B 68 -0.867 -3.602 7.582 1.00 0.00 C ATOM 1369 O VAL B 68 -1.742 -4.284 7.057 1.00 0.00 O ATOM 1370 CB VAL B 68 -2.322 -2.161 9.033 1.00 0.00 C ATOM 1371 CG1 VAL B 68 -1.902 -2.770 10.357 1.00 0.00 C ATOM 1372 CG2 VAL B 68 -2.810 -0.737 9.228 1.00 0.00 C ATOM 0 H VAL B 68 -2.388 -1.417 6.534 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.291 -1.774 8.561 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.141 -2.756 8.629 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -2.742 -2.745 11.052 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.592 -3.803 10.200 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.070 -2.200 10.772 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.639 -0.730 9.936 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.997 -0.124 9.616 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.145 -0.333 8.273 1.00 0.00 H new ATOM 1382 N LEU B 69 0.361 -4.039 7.761 1.00 0.00 N ATOM 1383 CA LEU B 69 0.767 -5.351 7.295 1.00 0.00 C ATOM 1384 C LEU B 69 0.721 -6.389 8.396 1.00 0.00 C ATOM 1385 O LEU B 69 0.769 -6.059 9.581 1.00 0.00 O ATOM 1386 CB LEU B 69 2.178 -5.277 6.719 1.00 0.00 C ATOM 1387 CG LEU B 69 2.532 -3.932 6.096 1.00 0.00 C ATOM 1388 CD1 LEU B 69 3.932 -3.954 5.534 1.00 0.00 C ATOM 1389 CD2 LEU B 69 1.557 -3.572 5.000 1.00 0.00 C ATOM 0 H LEU B 69 1.097 -3.507 8.225 1.00 0.00 H new ATOM 0 HA LEU B 69 0.061 -5.658 6.524 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.893 -5.496 7.512 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.291 -6.055 5.964 1.00 0.00 H new ATOM 0 HG LEU B 69 2.475 -3.180 6.883 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.163 -2.984 5.094 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.642 -4.168 6.333 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.004 -4.726 4.768 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.831 -2.608 4.571 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.585 -4.336 4.223 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.550 -3.512 5.414 1.00 0.00 H new ATOM 1401 N HIS B 70 0.637 -7.655 8.000 1.00 0.00 N ATOM 1402 CA HIS B 70 0.623 -8.744 8.966 1.00 0.00 C ATOM 1403 C HIS B 70 2.049 -9.021 9.409 1.00 0.00 C ATOM 1404 O HIS B 70 2.306 -9.887 10.242 1.00 0.00 O ATOM 1405 CB HIS B 70 -0.012 -10.026 8.405 1.00 0.00 C ATOM 1406 CG HIS B 70 -0.027 -10.109 6.914 1.00 0.00 C ATOM 1407 ND1 HIS B 70 -1.101 -9.735 6.147 1.00 0.00 N ATOM 1408 CD2 HIS B 70 0.930 -10.516 6.037 1.00 0.00 C ATOM 1409 CE1 HIS B 70 -0.769 -9.913 4.869 1.00 0.00 C ATOM 1410 NE2 HIS B 70 0.445 -10.396 4.756 1.00 0.00 N ATOM 0 H HIS B 70 0.578 -7.949 7.025 1.00 0.00 H new ATOM 0 HA HIS B 70 0.009 -8.436 9.812 1.00 0.00 H new ATOM 0 HB2 HIS B 70 0.529 -10.887 8.799 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -1.036 -10.099 8.771 1.00 0.00 H new ATOM 0 HD1 HIS B 70 -1.994 -9.384 6.493 1.00 0.00 H new ATOM 0 HD2 HIS B 70 1.913 -10.876 6.304 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.416 -9.689 4.034 1.00 0.00 H new ATOM 1418 N ALA B 71 2.966 -8.269 8.817 1.00 0.00 N ATOM 1419 CA ALA B 71 4.377 -8.364 9.125 1.00 0.00 C ATOM 1420 C ALA B 71 4.648 -7.737 10.487 1.00 0.00 C ATOM 1421 O ALA B 71 5.687 -7.970 11.102 1.00 0.00 O ATOM 1422 CB ALA B 71 5.179 -7.667 8.035 1.00 0.00 C ATOM 0 H ALA B 71 2.745 -7.572 8.105 1.00 0.00 H new ATOM 0 HA ALA B 71 4.679 -9.410 9.164 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.242 -7.737 8.264 1.00 0.00 H new ATOM 0 HB2 ALA B 71 4.982 -8.146 7.076 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.887 -6.618 7.983 1.00 0.00 H new ATOM 1428 N GLY B 72 3.683 -6.948 10.951 1.00 0.00 N ATOM 1429 CA GLY B 72 3.804 -6.291 12.233 1.00 0.00 C ATOM 1430 C GLY B 72 4.154 -4.829 12.086 1.00 0.00 C ATOM 1431 O GLY B 72 4.444 -4.150 13.071 1.00 0.00 O ATOM 0 H GLY B 72 2.814 -6.753 10.454 1.00 0.00 H new ATOM 0 HA2 GLY B 72 2.866 -6.386 12.780 1.00 0.00 H new ATOM 0 HA3 GLY B 72 4.571 -6.790 12.826 1.00 0.00 H new ATOM 1435 N ASP B 73 4.119 -4.339 10.855 1.00 0.00 N ATOM 1436 CA ASP B 73 4.455 -2.946 10.585 1.00 0.00 C ATOM 1437 C ASP B 73 3.352 -2.237 9.809 1.00 0.00 C ATOM 1438 O ASP B 73 2.379 -2.857 9.370 1.00 0.00 O ATOM 1439 CB ASP B 73 5.788 -2.843 9.839 1.00 0.00 C ATOM 1440 CG ASP B 73 5.700 -3.333 8.412 1.00 0.00 C ATOM 1441 OD1 ASP B 73 5.392 -4.528 8.212 1.00 0.00 O ATOM 1442 OD2 ASP B 73 5.941 -2.524 7.493 1.00 0.00 O ATOM 0 H ASP B 73 3.863 -4.881 10.030 1.00 0.00 H new ATOM 0 HA ASP B 73 4.554 -2.444 11.548 1.00 0.00 H new ATOM 0 HB2 ASP B 73 6.122 -1.805 9.842 1.00 0.00 H new ATOM 0 HB3 ASP B 73 6.543 -3.422 10.371 1.00 0.00 H new ATOM 1447 N THR B 74 3.510 -0.927 9.664 1.00 0.00 N ATOM 1448 CA THR B 74 2.541 -0.100 8.965 1.00 0.00 C ATOM 1449 C THR B 74 3.250 0.912 8.061 1.00 0.00 C ATOM 1450 O THR B 74 4.308 1.430 8.415 1.00 0.00 O ATOM 1451 CB THR B 74 1.652 0.672 9.965 1.00 0.00 C ATOM 1452 OG1 THR B 74 2.469 1.364 10.921 1.00 0.00 O ATOM 1453 CG2 THR B 74 0.703 -0.265 10.696 1.00 0.00 C ATOM 0 H THR B 74 4.312 -0.412 10.027 1.00 0.00 H new ATOM 0 HA THR B 74 1.920 -0.763 8.362 1.00 0.00 H new ATOM 0 HB THR B 74 1.061 1.391 9.398 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.901 1.738 11.627 1.00 0.00 H new ATOM 0 HG21 THR B 74 0.091 0.308 11.393 1.00 0.00 H new ATOM 0 HG22 THR B 74 0.058 -0.766 9.974 1.00 0.00 H new ATOM 0 HG23 THR B 74 1.279 -1.009 11.246 1.00 0.00 H new ATOM 1461 N THR B 75 2.667 1.184 6.903 1.00 0.00 N ATOM 1462 CA THR B 75 3.225 2.136 5.949 1.00 0.00 C ATOM 1463 C THR B 75 2.272 3.320 5.752 1.00 0.00 C ATOM 1464 O THR B 75 1.219 3.169 5.141 1.00 0.00 O ATOM 1465 CB THR B 75 3.468 1.448 4.591 1.00 0.00 C ATOM 1466 OG1 THR B 75 4.165 0.211 4.788 1.00 0.00 O ATOM 1467 CG2 THR B 75 4.269 2.347 3.661 1.00 0.00 C ATOM 0 H THR B 75 1.795 0.753 6.597 1.00 0.00 H new ATOM 0 HA THR B 75 4.172 2.501 6.347 1.00 0.00 H new ATOM 0 HB THR B 75 2.500 1.251 4.130 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.175 -0.296 3.949 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.427 1.838 2.710 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.722 3.274 3.490 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.233 2.574 4.116 1.00 0.00 H new ATOM 1475 N ASN B 76 2.638 4.496 6.250 1.00 0.00 N ATOM 1476 CA ASN B 76 1.770 5.672 6.131 1.00 0.00 C ATOM 1477 C ASN B 76 1.901 6.361 4.784 1.00 0.00 C ATOM 1478 O ASN B 76 2.921 6.260 4.112 1.00 0.00 O ATOM 1479 CB ASN B 76 2.068 6.698 7.223 1.00 0.00 C ATOM 1480 CG ASN B 76 1.242 6.507 8.474 1.00 0.00 C ATOM 1481 OD1 ASN B 76 0.817 5.402 8.793 1.00 0.00 O ATOM 1482 ND2 ASN B 76 1.012 7.590 9.196 1.00 0.00 N ATOM 0 H ASN B 76 3.519 4.664 6.736 1.00 0.00 H new ATOM 0 HA ASN B 76 0.753 5.295 6.237 1.00 0.00 H new ATOM 0 HB2 ASN B 76 3.125 6.642 7.484 1.00 0.00 H new ATOM 0 HB3 ASN B 76 1.889 7.698 6.829 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.463 7.524 10.053 1.00 0.00 H new ATOM 0 HD22 ASN B 76 1.384 8.491 8.896 1.00 0.00 H new ATOM 1489 N PHE B 77 0.837 7.051 4.407 1.00 0.00 N ATOM 1490 CA PHE B 77 0.769 7.809 3.172 1.00 0.00 C ATOM 1491 C PHE B 77 0.010 9.104 3.431 1.00 0.00 C ATOM 1492 O PHE B 77 -1.216 9.111 3.567 1.00 0.00 O ATOM 1493 CB PHE B 77 0.089 6.998 2.067 1.00 0.00 C ATOM 1494 CG PHE B 77 0.982 5.953 1.467 1.00 0.00 C ATOM 1495 CD1 PHE B 77 2.076 6.322 0.704 1.00 0.00 C ATOM 1496 CD2 PHE B 77 0.733 4.606 1.670 1.00 0.00 C ATOM 1497 CE1 PHE B 77 2.903 5.368 0.150 1.00 0.00 C ATOM 1498 CE2 PHE B 77 1.560 3.647 1.118 1.00 0.00 C ATOM 1499 CZ PHE B 77 2.646 4.030 0.357 1.00 0.00 C ATOM 0 H PHE B 77 -0.018 7.100 4.962 1.00 0.00 H new ATOM 0 HA PHE B 77 1.780 8.037 2.834 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.801 6.517 2.473 1.00 0.00 H new ATOM 0 HB3 PHE B 77 -0.246 7.675 1.281 1.00 0.00 H new ATOM 0 HD1 PHE B 77 2.284 7.369 0.541 1.00 0.00 H new ATOM 0 HD2 PHE B 77 -0.115 4.302 2.265 1.00 0.00 H new ATOM 0 HE1 PHE B 77 3.752 5.669 -0.446 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.357 2.599 1.282 1.00 0.00 H new ATOM 0 HZ PHE B 77 3.294 3.282 -0.076 1.00 0.00 H new ATOM 1509 N HIS B 78 0.756 10.187 3.520 1.00 0.00 N ATOM 1510 CA HIS B 78 0.206 11.507 3.792 1.00 0.00 C ATOM 1511 C HIS B 78 -0.225 12.186 2.491 1.00 0.00 C ATOM 1512 O HIS B 78 0.605 12.639 1.714 1.00 0.00 O ATOM 1513 CB HIS B 78 1.289 12.313 4.543 1.00 0.00 C ATOM 1514 CG HIS B 78 1.054 13.792 4.738 1.00 0.00 C ATOM 1515 ND1 HIS B 78 1.641 14.515 5.756 1.00 0.00 N ATOM 1516 CD2 HIS B 78 0.358 14.697 3.999 1.00 0.00 C ATOM 1517 CE1 HIS B 78 1.298 15.799 5.603 1.00 0.00 C ATOM 1518 NE2 HIS B 78 0.523 15.962 4.552 1.00 0.00 N ATOM 0 H HIS B 78 1.769 10.179 3.405 1.00 0.00 H new ATOM 0 HA HIS B 78 -0.689 11.441 4.411 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.421 11.862 5.526 1.00 0.00 H new ATOM 0 HB3 HIS B 78 2.230 12.191 4.007 1.00 0.00 H new ATOM 0 HD2 HIS B 78 -0.230 14.469 3.122 1.00 0.00 H new ATOM 0 HE1 HIS B 78 1.616 16.598 6.257 1.00 0.00 H new ATOM 0 HE2 HIS B 78 0.125 16.837 4.212 1.00 0.00 H new ATOM 1526 N PHE B 79 -1.526 12.243 2.256 1.00 0.00 N ATOM 1527 CA PHE B 79 -2.058 12.884 1.059 1.00 0.00 C ATOM 1528 C PHE B 79 -2.004 14.404 1.233 1.00 0.00 C ATOM 1529 O PHE B 79 -2.846 14.982 1.924 1.00 0.00 O ATOM 1530 CB PHE B 79 -3.507 12.451 0.815 1.00 0.00 C ATOM 1531 CG PHE B 79 -3.674 11.046 0.308 1.00 0.00 C ATOM 1532 CD1 PHE B 79 -3.961 10.817 -1.023 1.00 0.00 C ATOM 1533 CD2 PHE B 79 -3.568 9.958 1.163 1.00 0.00 C ATOM 1534 CE1 PHE B 79 -4.140 9.533 -1.497 1.00 0.00 C ATOM 1535 CE2 PHE B 79 -3.743 8.669 0.690 1.00 0.00 C ATOM 1536 CZ PHE B 79 -4.031 8.459 -0.644 1.00 0.00 C ATOM 0 H PHE B 79 -2.235 11.854 2.877 1.00 0.00 H new ATOM 0 HA PHE B 79 -1.455 12.585 0.202 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -4.063 12.553 1.747 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -3.959 13.136 0.098 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -4.046 11.653 -1.702 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -3.347 10.119 2.208 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -4.366 9.371 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.654 7.829 1.363 1.00 0.00 H new ATOM 0 HZ PHE B 79 -4.170 7.455 -1.017 1.00 0.00 H new ATOM 1546 N SER B 80 -1.019 15.049 0.624 1.00 0.00 N ATOM 1547 CA SER B 80 -0.871 16.494 0.745 1.00 0.00 C ATOM 1548 C SER B 80 -1.521 17.228 -0.426 1.00 0.00 C ATOM 1549 O SER B 80 -1.381 18.444 -0.568 1.00 0.00 O ATOM 1550 CB SER B 80 0.613 16.868 0.853 1.00 0.00 C ATOM 1551 OG SER B 80 1.421 16.035 0.034 1.00 0.00 O ATOM 0 H SER B 80 -0.313 14.597 0.043 1.00 0.00 H new ATOM 0 HA SER B 80 -1.385 16.806 1.655 1.00 0.00 H new ATOM 0 HB2 SER B 80 0.749 17.909 0.561 1.00 0.00 H new ATOM 0 HB3 SER B 80 0.936 16.783 1.891 1.00 0.00 H new ATOM 0 HG SER B 80 2.335 16.388 0.009 1.00 0.00 H new ATOM 1557 N ASN B 81 -2.230 16.493 -1.269 1.00 0.00 N ATOM 1558 CA ASN B 81 -2.901 17.101 -2.409 1.00 0.00 C ATOM 1559 C ASN B 81 -4.276 17.617 -1.993 1.00 0.00 C ATOM 1560 O ASN B 81 -5.268 16.906 -2.094 1.00 0.00 O ATOM 1561 CB ASN B 81 -3.038 16.090 -3.550 1.00 0.00 C ATOM 1562 CG ASN B 81 -3.555 16.723 -4.825 1.00 0.00 C ATOM 1563 OD1 ASN B 81 -3.241 17.873 -5.135 1.00 0.00 O ATOM 1564 ND2 ASN B 81 -4.350 15.976 -5.572 1.00 0.00 N ATOM 0 H ASN B 81 -2.355 15.484 -1.188 1.00 0.00 H new ATOM 0 HA ASN B 81 -2.301 17.940 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN B 81 -2.068 15.631 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -3.714 15.291 -3.245 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -4.729 16.348 -6.443 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -4.584 15.028 -5.277 1.00 0.00 H new ATOM 1571 N GLU B 82 -4.324 18.874 -1.570 1.00 0.00 N ATOM 1572 CA GLU B 82 -5.561 19.515 -1.108 1.00 0.00 C ATOM 1573 C GLU B 82 -6.729 19.341 -2.088 1.00 0.00 C ATOM 1574 O GLU B 82 -7.883 19.219 -1.676 1.00 0.00 O ATOM 1575 CB GLU B 82 -5.309 21.010 -0.839 1.00 0.00 C ATOM 1576 CG GLU B 82 -5.078 21.861 -2.090 1.00 0.00 C ATOM 1577 CD GLU B 82 -3.925 21.365 -2.944 1.00 0.00 C ATOM 1578 OE1 GLU B 82 -4.183 20.759 -4.006 1.00 0.00 O ATOM 1579 OE2 GLU B 82 -2.757 21.541 -2.546 1.00 0.00 O ATOM 0 H GLU B 82 -3.507 19.484 -1.535 1.00 0.00 H new ATOM 0 HA GLU B 82 -5.852 19.016 -0.184 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -6.162 21.415 -0.295 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -4.441 21.105 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -5.988 21.870 -2.689 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -4.884 22.891 -1.791 1.00 0.00 H new ATOM 1586 N SER B 83 -6.417 19.314 -3.376 1.00 0.00 N ATOM 1587 CA SER B 83 -7.422 19.175 -4.417 1.00 0.00 C ATOM 1588 C SER B 83 -8.247 17.896 -4.292 1.00 0.00 C ATOM 1589 O SER B 83 -9.477 17.950 -4.146 1.00 0.00 O ATOM 1590 CB SER B 83 -6.742 19.224 -5.787 1.00 0.00 C ATOM 1591 OG SER B 83 -6.003 20.425 -5.948 1.00 0.00 O ATOM 0 H SER B 83 -5.462 19.388 -3.727 1.00 0.00 H new ATOM 0 HA SER B 83 -8.119 20.006 -4.303 1.00 0.00 H new ATOM 0 HB2 SER B 83 -6.078 18.367 -5.898 1.00 0.00 H new ATOM 0 HB3 SER B 83 -7.494 19.148 -6.573 1.00 0.00 H new ATOM 0 HG SER B 83 -5.168 20.366 -5.439 1.00 0.00 H new ATOM 1597 N THR B 84 -7.604 16.744 -4.346 1.00 0.00 N ATOM 1598 CA THR B 84 -8.347 15.502 -4.300 1.00 0.00 C ATOM 1599 C THR B 84 -7.874 14.504 -3.243 1.00 0.00 C ATOM 1600 O THR B 84 -8.315 13.369 -3.269 1.00 0.00 O ATOM 1601 CB THR B 84 -8.331 14.861 -5.697 1.00 0.00 C ATOM 1602 OG1 THR B 84 -6.995 14.831 -6.211 1.00 0.00 O ATOM 1603 CG2 THR B 84 -9.207 15.673 -6.640 1.00 0.00 C ATOM 0 H THR B 84 -6.592 16.644 -4.420 1.00 0.00 H new ATOM 0 HA THR B 84 -9.362 15.760 -3.996 1.00 0.00 H new ATOM 0 HB THR B 84 -8.711 13.842 -5.621 1.00 0.00 H new ATOM 0 HG1 THR B 84 -6.385 14.504 -5.517 1.00 0.00 H new ATOM 0 HG21 THR B 84 -9.195 15.218 -7.630 1.00 0.00 H new ATOM 0 HG22 THR B 84 -10.229 15.692 -6.262 1.00 0.00 H new ATOM 0 HG23 THR B 84 -8.825 16.692 -6.704 1.00 0.00 H new ATOM 1611 N ALA B 85 -7.034 14.930 -2.298 1.00 0.00 N ATOM 1612 CA ALA B 85 -6.505 14.031 -1.251 1.00 0.00 C ATOM 1613 C ALA B 85 -7.584 13.164 -0.606 1.00 0.00 C ATOM 1614 O ALA B 85 -7.376 11.975 -0.406 1.00 0.00 O ATOM 1615 CB ALA B 85 -5.780 14.822 -0.171 1.00 0.00 C ATOM 0 H ALA B 85 -6.701 15.892 -2.230 1.00 0.00 H new ATOM 0 HA ALA B 85 -5.805 13.364 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -5.400 14.138 0.588 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -4.948 15.368 -0.616 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -6.472 15.527 0.290 1.00 0.00 H new ATOM 1621 N VAL B 86 -8.720 13.761 -0.268 1.00 0.00 N ATOM 1622 CA VAL B 86 -9.819 13.015 0.345 1.00 0.00 C ATOM 1623 C VAL B 86 -10.289 11.889 -0.583 1.00 0.00 C ATOM 1624 O VAL B 86 -10.294 10.720 -0.207 1.00 0.00 O ATOM 1625 CB VAL B 86 -11.003 13.959 0.685 1.00 0.00 C ATOM 1626 CG1 VAL B 86 -12.329 13.210 0.741 1.00 0.00 C ATOM 1627 CG2 VAL B 86 -10.756 14.675 1.998 1.00 0.00 C ATOM 0 H VAL B 86 -8.907 14.754 -0.406 1.00 0.00 H new ATOM 0 HA VAL B 86 -9.453 12.573 1.272 1.00 0.00 H new ATOM 0 HB VAL B 86 -11.068 14.695 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -13.131 13.908 0.982 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -12.528 12.749 -0.226 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -12.278 12.437 1.508 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -11.598 15.332 2.218 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -10.649 13.942 2.798 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -9.844 15.267 1.924 1.00 0.00 H new ATOM 1637 N LYS B 87 -10.634 12.259 -1.811 1.00 0.00 N ATOM 1638 CA LYS B 87 -11.106 11.306 -2.817 1.00 0.00 C ATOM 1639 C LYS B 87 -9.989 10.337 -3.189 1.00 0.00 C ATOM 1640 O LYS B 87 -10.231 9.160 -3.434 1.00 0.00 O ATOM 1641 CB LYS B 87 -11.578 12.069 -4.061 1.00 0.00 C ATOM 1642 CG LYS B 87 -12.463 13.271 -3.748 1.00 0.00 C ATOM 1643 CD LYS B 87 -11.814 14.575 -4.196 1.00 0.00 C ATOM 1644 CE LYS B 87 -12.644 15.786 -3.795 1.00 0.00 C ATOM 1645 NZ LYS B 87 -12.080 17.058 -4.336 1.00 0.00 N ATOM 0 H LYS B 87 -10.596 13.224 -2.140 1.00 0.00 H new ATOM 0 HA LYS B 87 -11.939 10.734 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -10.706 12.408 -4.620 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -12.126 11.385 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -13.426 13.154 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -12.659 13.310 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -10.819 14.655 -3.758 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -11.686 14.564 -5.278 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -13.665 15.661 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -12.695 15.846 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -12.583 17.866 -3.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -11.069 17.118 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -12.195 17.077 -5.369 1.00 0.00 H new ATOM 1659 N GLU B 88 -8.769 10.850 -3.235 1.00 0.00 N ATOM 1660 CA GLU B 88 -7.607 10.044 -3.546 1.00 0.00 C ATOM 1661 C GLU B 88 -7.407 9.016 -2.439 1.00 0.00 C ATOM 1662 O GLU B 88 -7.166 7.846 -2.716 1.00 0.00 O ATOM 1663 CB GLU B 88 -6.377 10.943 -3.746 1.00 0.00 C ATOM 1664 CG GLU B 88 -6.200 11.379 -5.198 1.00 0.00 C ATOM 1665 CD GLU B 88 -5.128 12.437 -5.395 1.00 0.00 C ATOM 1666 OE1 GLU B 88 -4.178 12.192 -6.179 1.00 0.00 O ATOM 1667 OE2 GLU B 88 -5.248 13.529 -4.805 1.00 0.00 O ATOM 0 H GLU B 88 -8.561 11.833 -3.058 1.00 0.00 H new ATOM 0 HA GLU B 88 -7.756 9.505 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -6.470 11.826 -3.114 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -5.484 10.410 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -5.951 10.506 -5.802 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -7.150 11.764 -5.570 1.00 0.00 H new ATOM 1674 N ARG B 89 -7.547 9.458 -1.187 1.00 0.00 N ATOM 1675 CA ARG B 89 -7.446 8.569 -0.030 1.00 0.00 C ATOM 1676 C ARG B 89 -8.456 7.463 -0.194 1.00 0.00 C ATOM 1677 O ARG B 89 -8.151 6.280 -0.065 1.00 0.00 O ATOM 1678 CB ARG B 89 -7.776 9.322 1.265 1.00 0.00 C ATOM 1679 CG ARG B 89 -7.693 8.473 2.521 1.00 0.00 C ATOM 1680 CD ARG B 89 -8.586 9.035 3.623 1.00 0.00 C ATOM 1681 NE ARG B 89 -9.920 9.390 3.126 1.00 0.00 N ATOM 1682 CZ ARG B 89 -10.716 10.306 3.687 1.00 0.00 C ATOM 1683 NH1 ARG B 89 -10.338 10.951 4.785 1.00 0.00 N ATOM 1684 NH2 ARG B 89 -11.900 10.573 3.152 1.00 0.00 N ATOM 0 H ARG B 89 -7.732 10.433 -0.949 1.00 0.00 H new ATOM 0 HA ARG B 89 -6.429 8.181 0.029 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -7.093 10.165 1.365 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -8.782 9.734 1.185 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.992 7.450 2.293 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -6.661 8.433 2.870 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -8.681 8.300 4.422 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -8.115 9.917 4.056 1.00 0.00 H new ATOM 0 HE ARG B 89 -10.263 8.905 2.297 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.432 10.749 5.209 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.953 11.648 5.204 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -12.203 10.079 2.312 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -12.507 11.272 3.580 1.00 0.00 H new ATOM 1698 N ASP B 90 -9.665 7.893 -0.495 1.00 0.00 N ATOM 1699 CA ASP B 90 -10.791 7.011 -0.693 1.00 0.00 C ATOM 1700 C ASP B 90 -10.567 6.034 -1.838 1.00 0.00 C ATOM 1701 O ASP B 90 -10.865 4.863 -1.697 1.00 0.00 O ATOM 1702 CB ASP B 90 -12.050 7.853 -0.887 1.00 0.00 C ATOM 1703 CG ASP B 90 -12.740 8.104 0.437 1.00 0.00 C ATOM 1704 OD1 ASP B 90 -12.645 9.233 0.962 1.00 0.00 O ATOM 1705 OD2 ASP B 90 -13.343 7.150 0.978 1.00 0.00 O ATOM 0 H ASP B 90 -9.893 8.880 -0.610 1.00 0.00 H new ATOM 0 HA ASP B 90 -10.913 6.389 0.194 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -11.789 8.804 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -12.733 7.343 -1.567 1.00 0.00 H new ATOM 1710 N ALA B 91 -10.018 6.500 -2.950 1.00 0.00 N ATOM 1711 CA ALA B 91 -9.757 5.624 -4.093 1.00 0.00 C ATOM 1712 C ALA B 91 -8.663 4.608 -3.765 1.00 0.00 C ATOM 1713 O ALA B 91 -8.794 3.433 -4.101 1.00 0.00 O ATOM 1714 CB ALA B 91 -9.383 6.443 -5.319 1.00 0.00 C ATOM 0 H ALA B 91 -9.744 7.473 -3.089 1.00 0.00 H new ATOM 0 HA ALA B 91 -10.671 5.073 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -9.193 5.775 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -10.202 7.117 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -8.486 7.025 -5.108 1.00 0.00 H new ATOM 1720 N VAL B 92 -7.580 5.060 -3.124 1.00 0.00 N ATOM 1721 CA VAL B 92 -6.504 4.150 -2.722 1.00 0.00 C ATOM 1722 C VAL B 92 -7.108 3.121 -1.774 1.00 0.00 C ATOM 1723 O VAL B 92 -6.868 1.924 -1.893 1.00 0.00 O ATOM 1724 CB VAL B 92 -5.348 4.887 -2.008 1.00 0.00 C ATOM 1725 CG1 VAL B 92 -4.198 3.937 -1.723 1.00 0.00 C ATOM 1726 CG2 VAL B 92 -4.856 6.055 -2.839 1.00 0.00 C ATOM 0 H VAL B 92 -7.426 6.037 -2.875 1.00 0.00 H new ATOM 0 HA VAL B 92 -6.083 3.685 -3.613 1.00 0.00 H new ATOM 0 HB VAL B 92 -5.732 5.268 -1.062 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -3.396 4.477 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -4.546 3.126 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -3.826 3.525 -2.661 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -4.043 6.557 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -4.497 5.691 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -5.674 6.758 -2.999 1.00 0.00 H new ATOM 1736 N LYS B 93 -7.934 3.628 -0.862 1.00 0.00 N ATOM 1737 CA LYS B 93 -8.644 2.818 0.121 1.00 0.00 C ATOM 1738 C LYS B 93 -9.550 1.812 -0.583 1.00 0.00 C ATOM 1739 O LYS B 93 -9.479 0.611 -0.339 1.00 0.00 O ATOM 1740 CB LYS B 93 -9.477 3.749 1.015 1.00 0.00 C ATOM 1741 CG LYS B 93 -10.487 3.051 1.914 1.00 0.00 C ATOM 1742 CD LYS B 93 -11.808 3.814 1.942 1.00 0.00 C ATOM 1743 CE LYS B 93 -12.658 3.482 0.726 1.00 0.00 C ATOM 1744 NZ LYS B 93 -13.537 4.608 0.302 1.00 0.00 N ATOM 0 H LYS B 93 -8.131 4.626 -0.785 1.00 0.00 H new ATOM 0 HA LYS B 93 -7.929 2.265 0.730 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -8.798 4.329 1.640 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -10.009 4.457 0.379 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.657 2.035 1.557 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -10.087 2.971 2.925 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -12.356 3.566 2.851 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.612 4.886 1.971 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.005 3.207 -0.102 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -13.275 2.611 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.448 4.751 -0.724 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -14.525 4.384 0.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.252 5.476 0.798 1.00 0.00 H new ATOM 1758 N ASP B 94 -10.389 2.328 -1.468 1.00 0.00 N ATOM 1759 CA ASP B 94 -11.332 1.528 -2.242 1.00 0.00 C ATOM 1760 C ASP B 94 -10.633 0.436 -3.031 1.00 0.00 C ATOM 1761 O ASP B 94 -11.001 -0.733 -2.952 1.00 0.00 O ATOM 1762 CB ASP B 94 -12.125 2.439 -3.185 1.00 0.00 C ATOM 1763 CG ASP B 94 -13.420 2.930 -2.562 1.00 0.00 C ATOM 1764 OD1 ASP B 94 -14.310 2.093 -2.307 1.00 0.00 O ATOM 1765 OD2 ASP B 94 -13.543 4.147 -2.302 1.00 0.00 O ATOM 0 H ASP B 94 -10.436 3.326 -1.673 1.00 0.00 H new ATOM 0 HA ASP B 94 -12.012 1.039 -1.544 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -11.510 3.296 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -12.349 1.898 -4.105 1.00 0.00 H new ATOM 1770 N LEU B 95 -9.619 0.817 -3.776 1.00 0.00 N ATOM 1771 CA LEU B 95 -8.868 -0.129 -4.582 1.00 0.00 C ATOM 1772 C LEU B 95 -8.142 -1.132 -3.698 1.00 0.00 C ATOM 1773 O LEU B 95 -8.075 -2.302 -4.030 1.00 0.00 O ATOM 1774 CB LEU B 95 -7.871 0.615 -5.474 1.00 0.00 C ATOM 1775 CG LEU B 95 -7.491 -0.097 -6.774 1.00 0.00 C ATOM 1776 CD1 LEU B 95 -8.712 -0.283 -7.661 1.00 0.00 C ATOM 1777 CD2 LEU B 95 -6.413 0.684 -7.509 1.00 0.00 C ATOM 0 H LEU B 95 -9.292 1.781 -3.843 1.00 0.00 H new ATOM 0 HA LEU B 95 -9.567 -0.676 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -8.290 1.590 -5.723 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -6.962 0.796 -4.900 1.00 0.00 H new ATOM 0 HG LEU B 95 -7.097 -1.082 -6.524 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -8.420 -0.791 -8.580 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -9.456 -0.882 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -9.137 0.691 -7.904 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.153 0.165 -8.432 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.784 1.681 -7.746 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.528 0.766 -6.877 1.00 0.00 H new ATOM 1789 N LEU B 96 -7.630 -0.685 -2.560 1.00 0.00 N ATOM 1790 CA LEU B 96 -6.914 -1.574 -1.649 1.00 0.00 C ATOM 1791 C LEU B 96 -7.874 -2.523 -0.943 1.00 0.00 C ATOM 1792 O LEU B 96 -7.628 -3.713 -0.899 1.00 0.00 O ATOM 1793 CB LEU B 96 -6.130 -0.778 -0.608 1.00 0.00 C ATOM 1794 CG LEU B 96 -4.789 -0.225 -1.079 1.00 0.00 C ATOM 1795 CD1 LEU B 96 -4.262 0.796 -0.085 1.00 0.00 C ATOM 1796 CD2 LEU B 96 -3.786 -1.346 -1.263 1.00 0.00 C ATOM 0 H LEU B 96 -7.695 0.283 -2.244 1.00 0.00 H new ATOM 0 HA LEU B 96 -6.216 -2.157 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -6.748 0.054 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.956 -1.417 0.258 1.00 0.00 H new ATOM 0 HG LEU B 96 -4.937 0.267 -2.041 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -3.304 1.183 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -4.973 1.617 0.005 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -4.130 0.322 0.888 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -2.835 -0.932 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -3.641 -1.864 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -4.159 -2.049 -2.007 1.00 0.00 H new ATOM 1808 N GLN B 97 -8.977 -2.004 -0.401 1.00 0.00 N ATOM 1809 CA GLN B 97 -9.962 -2.856 0.283 1.00 0.00 C ATOM 1810 C GLN B 97 -10.500 -3.890 -0.703 1.00 0.00 C ATOM 1811 O GLN B 97 -11.015 -4.943 -0.332 1.00 0.00 O ATOM 1812 CB GLN B 97 -11.108 -2.014 0.867 1.00 0.00 C ATOM 1813 CG GLN B 97 -11.997 -1.372 -0.184 1.00 0.00 C ATOM 1814 CD GLN B 97 -12.984 -0.376 0.393 1.00 0.00 C ATOM 1815 OE1 GLN B 97 -12.752 0.219 1.444 1.00 0.00 O ATOM 1816 NE2 GLN B 97 -14.086 -0.171 -0.308 1.00 0.00 N ATOM 0 H GLN B 97 -9.213 -1.012 -0.419 1.00 0.00 H new ATOM 0 HA GLN B 97 -9.475 -3.367 1.114 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.720 -2.647 1.509 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -10.686 -1.232 1.499 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -11.371 -0.868 -0.921 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -12.545 -2.152 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -14.242 -0.685 -1.175 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -14.781 0.501 0.018 1.00 0.00 H new ATOM 1825 N GLN B 98 -10.358 -3.552 -1.970 1.00 0.00 N ATOM 1826 CA GLN B 98 -10.764 -4.393 -3.073 1.00 0.00 C ATOM 1827 C GLN B 98 -9.668 -5.385 -3.448 1.00 0.00 C ATOM 1828 O GLN B 98 -9.909 -6.578 -3.619 1.00 0.00 O ATOM 1829 CB GLN B 98 -11.046 -3.490 -4.273 1.00 0.00 C ATOM 1830 CG GLN B 98 -12.486 -3.034 -4.380 1.00 0.00 C ATOM 1831 CD GLN B 98 -13.151 -3.531 -5.645 1.00 0.00 C ATOM 1832 OE1 GLN B 98 -12.842 -4.620 -6.139 1.00 0.00 O ATOM 1833 NE2 GLN B 98 -14.059 -2.731 -6.182 1.00 0.00 N ATOM 0 H GLN B 98 -9.948 -2.666 -2.265 1.00 0.00 H new ATOM 0 HA GLN B 98 -11.648 -4.960 -2.782 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -10.402 -2.613 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -10.776 -4.022 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -13.044 -3.391 -3.514 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -12.523 -1.945 -4.356 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -14.281 -1.840 -5.737 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -14.537 -3.005 -7.040 1.00 0.00 H new ATOM 1842 N LEU B 99 -8.473 -4.854 -3.573 1.00 0.00 N ATOM 1843 CA LEU B 99 -7.289 -5.589 -4.000 1.00 0.00 C ATOM 1844 C LEU B 99 -6.583 -6.400 -2.906 1.00 0.00 C ATOM 1845 O LEU B 99 -6.119 -7.508 -3.170 1.00 0.00 O ATOM 1846 CB LEU B 99 -6.326 -4.565 -4.589 1.00 0.00 C ATOM 1847 CG LEU B 99 -6.534 -4.285 -6.078 1.00 0.00 C ATOM 1848 CD1 LEU B 99 -5.761 -3.049 -6.507 1.00 0.00 C ATOM 1849 CD2 LEU B 99 -6.129 -5.489 -6.914 1.00 0.00 C ATOM 0 H LEU B 99 -8.285 -3.871 -3.376 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.614 -6.341 -4.719 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.428 -3.630 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -5.305 -4.915 -4.437 1.00 0.00 H new ATOM 0 HG LEU B 99 -7.595 -4.097 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.924 -2.869 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -6.107 -2.187 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -4.698 -3.203 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.285 -5.268 -7.970 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.076 -5.714 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.735 -6.349 -6.630 1.00 0.00 H new ATOM 1861 N LEU B 100 -6.506 -5.862 -1.698 1.00 0.00 N ATOM 1862 CA LEU B 100 -5.801 -6.521 -0.600 1.00 0.00 C ATOM 1863 C LEU B 100 -6.257 -7.964 -0.354 1.00 0.00 C ATOM 1864 O LEU B 100 -5.464 -8.886 -0.539 1.00 0.00 O ATOM 1865 CB LEU B 100 -5.863 -5.690 0.683 1.00 0.00 C ATOM 1866 CG LEU B 100 -5.030 -4.416 0.613 1.00 0.00 C ATOM 1867 CD1 LEU B 100 -4.965 -3.707 1.955 1.00 0.00 C ATOM 1868 CD2 LEU B 100 -3.635 -4.726 0.128 1.00 0.00 C ATOM 0 H LEU B 100 -6.924 -4.966 -1.449 1.00 0.00 H new ATOM 0 HA LEU B 100 -4.760 -6.588 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -6.901 -5.427 0.888 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -5.517 -6.298 1.519 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.520 -3.747 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -4.362 -2.804 1.861 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -5.972 -3.439 2.274 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -4.514 -4.369 2.695 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.052 -3.806 0.083 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -3.158 -5.425 0.815 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -3.686 -5.172 -0.865 1.00 0.00 H new ATOM 1880 N PRO B 101 -7.531 -8.207 0.018 1.00 0.00 N ATOM 1881 CA PRO B 101 -8.013 -9.569 0.288 1.00 0.00 C ATOM 1882 C PRO B 101 -8.041 -10.460 -0.955 1.00 0.00 C ATOM 1883 O PRO B 101 -8.288 -11.662 -0.857 1.00 0.00 O ATOM 1884 CB PRO B 101 -9.432 -9.355 0.820 1.00 0.00 C ATOM 1885 CG PRO B 101 -9.848 -8.034 0.274 1.00 0.00 C ATOM 1886 CD PRO B 101 -8.598 -7.203 0.217 1.00 0.00 C ATOM 0 HA PRO B 101 -7.352 -10.087 0.983 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.102 -10.148 0.489 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -9.450 -9.356 1.910 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.291 -8.142 -0.716 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -10.600 -7.567 0.910 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.631 -6.483 -0.601 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -8.450 -6.635 1.136 1.00 0.00 H new ATOM 1894 N LYS B 102 -7.792 -9.882 -2.122 1.00 0.00 N ATOM 1895 CA LYS B 102 -7.789 -10.656 -3.357 1.00 0.00 C ATOM 1896 C LYS B 102 -6.456 -11.376 -3.527 1.00 0.00 C ATOM 1897 O LYS B 102 -6.399 -12.470 -4.081 1.00 0.00 O ATOM 1898 CB LYS B 102 -8.075 -9.763 -4.571 1.00 0.00 C ATOM 1899 CG LYS B 102 -9.558 -9.506 -4.800 1.00 0.00 C ATOM 1900 CD LYS B 102 -9.870 -9.261 -6.271 1.00 0.00 C ATOM 1901 CE LYS B 102 -9.991 -7.777 -6.593 1.00 0.00 C ATOM 1902 NZ LYS B 102 -11.164 -7.151 -5.917 1.00 0.00 N ATOM 0 H LYS B 102 -7.591 -8.889 -2.240 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.584 -11.399 -3.293 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.565 -8.809 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -7.653 -10.228 -5.462 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -10.134 -10.360 -4.444 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.872 -8.643 -4.213 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -9.085 -9.702 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -10.800 -9.765 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.080 -7.264 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -10.082 -7.647 -7.671 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -11.383 -6.242 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -11.986 -7.783 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -10.942 -6.991 -4.914 1.00 0.00 H new ATOM 1916 N PHE B 103 -5.391 -10.760 -3.031 1.00 0.00 N ATOM 1917 CA PHE B 103 -4.059 -11.347 -3.127 1.00 0.00 C ATOM 1918 C PHE B 103 -3.624 -11.909 -1.784 1.00 0.00 C ATOM 1919 O PHE B 103 -2.948 -12.935 -1.711 1.00 0.00 O ATOM 1920 CB PHE B 103 -3.054 -10.300 -3.606 1.00 0.00 C ATOM 1921 CG PHE B 103 -3.261 -9.900 -5.037 1.00 0.00 C ATOM 1922 CD1 PHE B 103 -2.762 -10.680 -6.067 1.00 0.00 C ATOM 1923 CD2 PHE B 103 -3.967 -8.751 -5.352 1.00 0.00 C ATOM 1924 CE1 PHE B 103 -2.962 -10.321 -7.385 1.00 0.00 C ATOM 1925 CE2 PHE B 103 -4.170 -8.386 -6.668 1.00 0.00 C ATOM 1926 CZ PHE B 103 -3.668 -9.172 -7.686 1.00 0.00 C ATOM 0 H PHE B 103 -5.422 -9.856 -2.559 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.094 -12.162 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.129 -9.416 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.044 -10.692 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.210 -11.579 -5.836 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.363 -8.134 -4.559 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.567 -10.937 -8.179 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -4.721 -7.487 -6.901 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.827 -8.889 -8.716 1.00 0.00 H new ATOM 1936 N LYS B 104 -4.023 -11.229 -0.724 1.00 0.00 N ATOM 1937 CA LYS B 104 -3.694 -11.646 0.625 1.00 0.00 C ATOM 1938 C LYS B 104 -4.589 -12.806 1.045 1.00 0.00 C ATOM 1939 O LYS B 104 -5.796 -12.644 1.221 1.00 0.00 O ATOM 1940 CB LYS B 104 -3.853 -10.457 1.575 1.00 0.00 C ATOM 1941 CG LYS B 104 -4.066 -10.837 3.027 1.00 0.00 C ATOM 1942 CD LYS B 104 -5.026 -9.877 3.697 1.00 0.00 C ATOM 1943 CE LYS B 104 -6.452 -10.143 3.254 1.00 0.00 C ATOM 1944 NZ LYS B 104 -7.211 -10.913 4.269 1.00 0.00 N ATOM 0 H LYS B 104 -4.581 -10.377 -0.774 1.00 0.00 H new ATOM 0 HA LYS B 104 -2.660 -11.988 0.663 1.00 0.00 H new ATOM 0 HB2 LYS B 104 -2.965 -9.829 1.503 1.00 0.00 H new ATOM 0 HB3 LYS B 104 -4.697 -9.853 1.243 1.00 0.00 H new ATOM 0 HG2 LYS B 104 -4.457 -11.852 3.088 1.00 0.00 H new ATOM 0 HG3 LYS B 104 -3.112 -10.831 3.553 1.00 0.00 H new ATOM 0 HD2 LYS B 104 -4.952 -9.978 4.780 1.00 0.00 H new ATOM 0 HD3 LYS B 104 -4.750 -8.851 3.453 1.00 0.00 H new ATOM 0 HE2 LYS B 104 -6.956 -9.195 3.065 1.00 0.00 H new ATOM 0 HE3 LYS B 104 -6.443 -10.693 2.313 1.00 0.00 H new ATOM 0 HZ1 LYS B 104 -8.015 -11.390 3.813 1.00 0.00 H new ATOM 0 HZ2 LYS B 104 -6.588 -11.624 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 104 -7.563 -10.266 5.004 1.00 0.00 H new ATOM 1958 N ARG B 105 -3.994 -13.981 1.175 1.00 0.00 N ATOM 1959 CA ARG B 105 -4.728 -15.176 1.568 1.00 0.00 C ATOM 1960 C ARG B 105 -4.084 -15.808 2.797 1.00 0.00 C ATOM 1961 O ARG B 105 -3.631 -16.949 2.747 1.00 0.00 O ATOM 1962 CB ARG B 105 -4.749 -16.193 0.416 1.00 0.00 C ATOM 1963 CG ARG B 105 -5.306 -15.653 -0.895 1.00 0.00 C ATOM 1964 CD ARG B 105 -6.816 -15.819 -0.981 1.00 0.00 C ATOM 1965 NE ARG B 105 -7.527 -14.644 -0.482 1.00 0.00 N ATOM 1966 CZ ARG B 105 -8.209 -14.609 0.661 1.00 0.00 C ATOM 1967 NH1 ARG B 105 -8.313 -15.690 1.422 1.00 0.00 N ATOM 1968 NH2 ARG B 105 -8.796 -13.488 1.039 1.00 0.00 N ATOM 0 H ARG B 105 -2.999 -14.134 1.013 1.00 0.00 H new ATOM 0 HA ARG B 105 -5.752 -14.889 1.807 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -3.733 -16.550 0.245 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -5.343 -17.055 0.720 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -5.051 -14.598 -0.991 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -4.836 -16.172 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -7.102 -16.002 -2.017 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -7.117 -16.695 -0.407 1.00 0.00 H new ATOM 0 HE ARG B 105 -7.499 -13.795 -1.046 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -7.868 -16.561 1.134 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -8.838 -15.650 2.295 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -8.726 -12.654 0.456 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -9.320 -13.456 1.914 1.00 0.00 H new ATOM 1982 N LYS B 106 -4.034 -15.066 3.898 1.00 0.00 N ATOM 1983 CA LYS B 106 -3.422 -15.582 5.114 1.00 0.00 C ATOM 1984 C LYS B 106 -4.465 -16.180 6.057 1.00 0.00 C ATOM 1985 O LYS B 106 -4.406 -17.368 6.367 1.00 0.00 O ATOM 1986 CB LYS B 106 -2.622 -14.492 5.830 1.00 0.00 C ATOM 1987 CG LYS B 106 -1.703 -15.026 6.921 1.00 0.00 C ATOM 1988 CD LYS B 106 -1.140 -13.908 7.784 1.00 0.00 C ATOM 1989 CE LYS B 106 -1.926 -13.745 9.079 1.00 0.00 C ATOM 1990 NZ LYS B 106 -3.369 -13.510 8.826 1.00 0.00 N ATOM 0 H LYS B 106 -4.405 -14.119 3.973 1.00 0.00 H new ATOM 0 HA LYS B 106 -2.738 -16.378 4.819 1.00 0.00 H new ATOM 0 HB2 LYS B 106 -2.025 -13.951 5.096 1.00 0.00 H new ATOM 0 HB3 LYS B 106 -3.315 -13.774 6.269 1.00 0.00 H new ATOM 0 HG2 LYS B 106 -2.253 -15.727 7.548 1.00 0.00 H new ATOM 0 HG3 LYS B 106 -0.883 -15.581 6.466 1.00 0.00 H new ATOM 0 HD2 LYS B 106 -0.096 -14.118 8.016 1.00 0.00 H new ATOM 0 HD3 LYS B 106 -1.160 -12.972 7.226 1.00 0.00 H new ATOM 0 HE2 LYS B 106 -1.806 -14.639 9.691 1.00 0.00 H new ATOM 0 HE3 LYS B 106 -1.517 -12.911 9.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 106 -3.853 -13.320 9.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 106 -3.482 -12.692 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS B 106 -3.785 -14.353 8.380 1.00 0.00 H new ATOM 2004 N ALA B 107 -5.415 -15.372 6.520 1.00 0.00 N ATOM 2005 CA ALA B 107 -6.441 -15.880 7.429 1.00 0.00 C ATOM 2006 C ALA B 107 -7.795 -15.233 7.186 1.00 0.00 C ATOM 2007 O ALA B 107 -8.704 -15.339 8.007 1.00 0.00 O ATOM 2008 CB ALA B 107 -6.014 -15.695 8.877 1.00 0.00 C ATOM 0 H ALA B 107 -5.497 -14.382 6.288 1.00 0.00 H new ATOM 0 HA ALA B 107 -6.550 -16.945 7.226 1.00 0.00 H new ATOM 0 HB1 ALA B 107 -6.791 -16.079 9.537 1.00 0.00 H new ATOM 0 HB2 ALA B 107 -5.086 -16.238 9.055 1.00 0.00 H new ATOM 0 HB3 ALA B 107 -5.859 -14.635 9.078 1.00 0.00 H new ATOM 2014 N ASN B 108 -7.927 -14.591 6.044 1.00 0.00 N ATOM 2015 CA ASN B 108 -9.171 -13.928 5.674 1.00 0.00 C ATOM 2016 C ASN B 108 -9.266 -13.831 4.160 1.00 0.00 C ATOM 2017 O ASN B 108 -8.953 -12.757 3.604 1.00 0.00 O ATOM 2018 CB ASN B 108 -9.257 -12.533 6.304 1.00 0.00 C ATOM 2019 CG ASN B 108 -10.588 -11.851 6.034 1.00 0.00 C ATOM 2020 OD1 ASN B 108 -11.638 -12.492 6.001 1.00 0.00 O ATOM 2021 ND2 ASN B 108 -10.554 -10.542 5.835 1.00 0.00 N ATOM 2022 OXT ASN B 108 -9.607 -14.848 3.522 1.00 0.00 O ATOM 0 H ASN B 108 -7.185 -14.511 5.348 1.00 0.00 H new ATOM 0 HA ASN B 108 -10.007 -14.518 6.051 1.00 0.00 H new ATOM 0 HB2 ASN B 108 -9.107 -12.615 7.380 1.00 0.00 H new ATOM 0 HB3 ASN B 108 -8.450 -11.912 5.915 1.00 0.00 H new ATOM 0 HD21 ASN B 108 -11.417 -10.032 5.647 1.00 0.00 H new ATOM 0 HD22 ASN B 108 -9.665 -10.044 5.870 1.00 0.00 H new TER 2029 ASN B 108