USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HD1:sc= -1.52 K(o=-2,f=-4.8!) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.503 K(o=-2,f=-1.1) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -0.509 K(o=-5.3,f=-3.6) USER MOD Set 2.2: A 49 ASN : amide:sc= -4.79! C(o=-5.3!,f=-3.6!) USER MOD Set 3.1: A 23 GLN : amide:sc= -2.57! C(o=-12!,f=-14!) USER MOD Set 3.2: A 33 HIS : no HD1:sc= -9.13! C(o=-12!,f=-7.4!) USER MOD Set 4.1: A 3 LYS NZ :NH3+ 173:sc= 1.36 (180deg=0.532) USER MOD Set 4.2: A 8 ASN : amide:sc= 0.265 K(o=1.6,f=-4.1!) USER MOD Single : A 1 CYS N :NH3+ -148:sc= 0.0597 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0495 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00525 USER MOD Single : A 9 TYR OH : rot -37:sc= 0.108 USER MOD Single : A 12 ASN : amide:sc= -5.61! C(o=-5.6!,f=-13!) USER MOD Single : A 16 THR OG1 : rot 21:sc= -0.31 USER MOD Single : A 18 SER OG : rot 96:sc= 1.25 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0471 USER MOD Single : A 28 GLN : amide:sc= 0.497 K(o=0.5,f=-0.33) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.858 X(o=-0.86,f=-0.7) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.476 K(o=-0.48,f=-1.6) USER MOD Single : A 37 THR OG1 : rot 179:sc= 1.25 USER MOD Single : A 40 ASN : amide:sc= 1.14 K(o=1.1,f=-1.4!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc=-0.00823 (180deg=-0.141) USER MOD Single : A 45 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.2) USER MOD Single : A 50 TYR OH : rot 101:sc= 0.546 USER MOD Single : A 53 ASN : amide:sc= 2.59 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.896 K(o=-0.9,f=-2) USER MOD Single : A 65 THR OG1 : rot -92:sc= 0.143 USER MOD Single : A 66 THR OG1 : rot 127:sc= -3.2! USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 74 TYR OH : rot 180:sc=-0.00824 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc= -0.0235 (180deg=-0.24) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 11.439 26.775 -20.951 1.00 0.00 N ATOM 56 CA CYS A 1 12.117 26.754 -19.666 1.00 0.00 C ATOM 57 C CYS A 1 11.141 26.361 -18.569 1.00 0.00 C ATOM 58 O CYS A 1 9.951 26.650 -18.656 1.00 0.00 O ATOM 59 CB CYS A 1 12.752 28.112 -19.360 1.00 0.00 C ATOM 60 SG CYS A 1 11.577 29.497 -19.203 1.00 0.00 S ATOM 0 H1 CYS A 1 12.107 26.504 -21.701 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.645 26.103 -20.936 1.00 0.00 H new ATOM 0 H3 CYS A 1 11.079 27.733 -21.138 1.00 0.00 H new ATOM 0 HA CYS A 1 12.916 26.013 -19.709 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.319 28.030 -18.433 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.465 28.349 -20.150 1.00 0.00 H new ATOM 0 HG CYS A 1 12.228 30.591 -18.942 1.00 0.00 H new ATOM 65 N LEU A 2 11.646 25.671 -17.560 1.00 0.00 N ATOM 66 CA LEU A 2 10.813 25.155 -16.484 1.00 0.00 C ATOM 67 C LEU A 2 10.357 26.253 -15.528 1.00 0.00 C ATOM 68 O LEU A 2 11.084 27.210 -15.264 1.00 0.00 O ATOM 69 CB LEU A 2 11.582 24.090 -15.707 1.00 0.00 C ATOM 70 CG LEU A 2 10.817 23.415 -14.578 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.569 22.741 -15.120 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.714 22.419 -13.864 1.00 0.00 C ATOM 0 H LEU A 2 12.638 25.453 -17.463 1.00 0.00 H new ATOM 0 HA LEU A 2 9.921 24.723 -16.939 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.911 23.323 -16.407 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.479 24.548 -15.290 1.00 0.00 H new ATOM 0 HG LEU A 2 10.505 24.169 -13.855 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.030 22.262 -14.303 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.927 23.487 -15.589 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.852 21.990 -15.858 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.158 21.941 -13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.051 21.661 -14.571 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.578 22.939 -13.450 1.00 0.00 H new ATOM 84 N LYS A 3 9.148 26.078 -15.006 1.00 0.00 N ATOM 85 CA LYS A 3 8.576 26.980 -14.024 1.00 0.00 C ATOM 86 C LYS A 3 8.726 26.409 -12.612 1.00 0.00 C ATOM 87 O LYS A 3 7.742 26.276 -11.878 1.00 0.00 O ATOM 88 CB LYS A 3 7.092 27.208 -14.324 1.00 0.00 C ATOM 89 CG LYS A 3 6.368 25.963 -14.794 1.00 0.00 C ATOM 90 CD LYS A 3 4.871 26.013 -14.508 1.00 0.00 C ATOM 91 CE LYS A 3 4.187 27.194 -15.186 1.00 0.00 C ATOM 92 NZ LYS A 3 2.731 27.260 -14.862 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.537 25.301 -15.256 1.00 0.00 H new ATOM 0 HA LYS A 3 9.111 27.928 -14.080 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.603 27.585 -13.426 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.999 27.981 -15.086 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.526 25.838 -15.865 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.799 25.090 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.408 25.086 -14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.712 26.074 -13.431 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.670 28.120 -14.874 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.315 27.116 -16.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.330 28.140 -15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.244 26.445 -15.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.604 27.241 -13.830 1.00 0.00 H new ATOM 106 N GLY A 4 9.944 26.040 -12.252 1.00 0.00 N ATOM 107 CA GLY A 4 10.203 25.534 -10.916 1.00 0.00 C ATOM 108 C GLY A 4 9.706 24.114 -10.728 1.00 0.00 C ATOM 109 O GLY A 4 10.413 23.158 -11.040 1.00 0.00 O ATOM 0 H GLY A 4 10.762 26.081 -12.860 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.274 25.570 -10.718 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.722 26.184 -10.185 1.00 0.00 H new ATOM 113 N THR A 5 8.484 23.975 -10.231 1.00 0.00 N ATOM 114 CA THR A 5 7.895 22.658 -10.029 1.00 0.00 C ATOM 115 C THR A 5 7.354 22.097 -11.337 1.00 0.00 C ATOM 116 O THR A 5 7.154 20.893 -11.477 1.00 0.00 O ATOM 117 CB THR A 5 6.767 22.691 -8.984 1.00 0.00 C ATOM 118 OG1 THR A 5 5.890 23.794 -9.248 1.00 0.00 O ATOM 119 CG2 THR A 5 7.328 22.795 -7.577 1.00 0.00 C ATOM 0 H THR A 5 7.884 24.754 -9.961 1.00 0.00 H new ATOM 0 HA THR A 5 8.690 22.011 -9.659 1.00 0.00 H new ATOM 0 HB THR A 5 6.206 21.759 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.173 23.809 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.508 22.816 -6.859 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.965 21.934 -7.375 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.914 23.709 -7.486 1.00 0.00 H new ATOM 127 N GLY A 6 7.110 22.993 -12.291 1.00 0.00 N ATOM 128 CA GLY A 6 6.698 22.586 -13.621 1.00 0.00 C ATOM 129 C GLY A 6 5.321 21.970 -13.668 1.00 0.00 C ATOM 130 O GLY A 6 5.047 21.164 -14.551 1.00 0.00 O ATOM 0 H GLY A 6 7.192 24.002 -12.163 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.721 23.454 -14.280 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.420 21.870 -14.012 1.00 0.00 H new ATOM 134 N GLU A 7 4.467 22.388 -12.731 1.00 0.00 N ATOM 135 CA GLU A 7 3.076 21.926 -12.629 1.00 0.00 C ATOM 136 C GLU A 7 2.460 21.651 -13.999 1.00 0.00 C ATOM 137 O GLU A 7 2.130 20.512 -14.331 1.00 0.00 O ATOM 138 CB GLU A 7 2.258 22.986 -11.890 1.00 0.00 C ATOM 139 CG GLU A 7 2.736 24.393 -12.193 1.00 0.00 C ATOM 140 CD GLU A 7 1.800 25.478 -11.705 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.402 25.445 -10.523 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.492 26.394 -12.496 1.00 0.00 O1- ATOM 0 H GLU A 7 4.723 23.065 -12.012 1.00 0.00 H new ATOM 0 HA GLU A 7 3.066 20.985 -12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.209 22.893 -12.169 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.319 22.807 -10.817 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.715 24.539 -11.737 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.867 24.497 -13.270 1.00 0.00 H new ATOM 149 N ASN A 8 2.329 22.700 -14.789 1.00 0.00 N ATOM 150 CA ASN A 8 1.829 22.581 -16.143 1.00 0.00 C ATOM 151 C ASN A 8 2.631 23.504 -17.056 1.00 0.00 C ATOM 152 O ASN A 8 2.082 24.191 -17.911 1.00 0.00 O ATOM 153 CB ASN A 8 0.332 22.922 -16.182 1.00 0.00 C ATOM 154 CG ASN A 8 0.045 24.400 -15.951 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.814 25.110 -15.290 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.064 24.872 -16.493 1.00 0.00 N ATOM 0 H ASN A 8 2.565 23.653 -14.511 1.00 0.00 H new ATOM 0 HA ASN A 8 1.946 21.556 -16.494 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.076 22.626 -17.149 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.187 22.335 -15.424 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.312 25.854 -16.373 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.672 24.254 -17.031 1.00 0.00 H new ATOM 163 N TYR A 9 3.955 23.475 -16.859 1.00 0.00 N ATOM 164 CA TYR A 9 4.902 24.326 -17.588 1.00 0.00 C ATOM 165 C TYR A 9 4.548 24.510 -19.077 1.00 0.00 C ATOM 166 O TYR A 9 4.030 25.548 -19.462 1.00 0.00 O ATOM 167 CB TYR A 9 6.349 23.801 -17.414 1.00 0.00 C ATOM 168 CG TYR A 9 6.631 22.408 -17.962 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.727 21.360 -17.808 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.814 22.152 -18.644 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.994 20.105 -18.317 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.086 20.901 -19.158 1.00 0.00 C ATOM 173 CZ TYR A 9 7.175 19.881 -18.993 1.00 0.00 C ATOM 174 OH TYR A 9 7.439 18.640 -19.520 1.00 0.00 O ATOM 0 H TYR A 9 4.402 22.855 -16.184 1.00 0.00 H new ATOM 0 HA TYR A 9 4.829 25.319 -17.145 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.028 24.503 -17.898 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.589 23.806 -16.351 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.800 21.532 -17.281 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.534 22.947 -18.774 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.282 19.303 -18.187 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.010 20.722 -19.688 1.00 0.00 H new ATOM 0 HH TYR A 9 7.099 17.948 -18.914 1.00 0.00 H new ATOM 184 N ARG A 10 4.867 23.539 -19.916 1.00 0.00 N ATOM 185 CA ARG A 10 4.550 23.619 -21.329 1.00 0.00 C ATOM 186 C ARG A 10 3.931 22.312 -21.805 1.00 0.00 C ATOM 187 O ARG A 10 2.943 22.306 -22.535 1.00 0.00 O ATOM 188 CB ARG A 10 5.814 23.919 -22.141 1.00 0.00 C ATOM 189 CG ARG A 10 6.399 25.292 -21.890 1.00 0.00 C ATOM 190 CD ARG A 10 7.248 25.305 -20.642 1.00 0.00 C ATOM 191 NE ARG A 10 7.824 26.623 -20.371 1.00 0.00 N ATOM 192 CZ ARG A 10 7.167 27.640 -19.793 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.870 27.541 -19.505 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.805 28.772 -19.521 1.00 0.00 N ATOM 0 H ARG A 10 5.348 22.683 -19.640 1.00 0.00 H new ATOM 0 HA ARG A 10 3.833 24.427 -21.477 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.568 23.167 -21.910 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.583 23.823 -23.202 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.002 25.595 -22.746 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.594 26.021 -21.793 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.642 24.995 -19.791 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.051 24.575 -20.745 1.00 0.00 H new ATOM 0 HE ARG A 10 8.795 26.780 -20.641 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.363 26.683 -19.724 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.384 28.323 -19.066 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.794 28.868 -19.751 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.306 29.546 -19.082 1.00 0.00 H new ATOM 208 N GLY A 11 4.520 21.206 -21.372 1.00 0.00 N ATOM 209 CA GLY A 11 4.080 19.904 -21.831 1.00 0.00 C ATOM 210 C GLY A 11 4.869 19.472 -23.040 1.00 0.00 C ATOM 211 O GLY A 11 4.344 19.422 -24.148 1.00 0.00 O ATOM 0 H GLY A 11 5.296 21.187 -20.710 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.199 19.172 -21.032 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.019 19.939 -22.076 1.00 0.00 H new ATOM 215 N ASN A 12 6.142 19.181 -22.825 1.00 0.00 N ATOM 216 CA ASN A 12 7.054 18.901 -23.926 1.00 0.00 C ATOM 217 C ASN A 12 7.815 17.592 -23.726 1.00 0.00 C ATOM 218 O ASN A 12 7.517 16.595 -24.383 1.00 0.00 O ATOM 219 CB ASN A 12 8.034 20.069 -24.102 1.00 0.00 C ATOM 220 CG ASN A 12 8.509 20.641 -22.775 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.395 20.101 -22.121 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.949 21.770 -22.385 1.00 0.00 N ATOM 0 H ASN A 12 6.568 19.132 -21.900 1.00 0.00 H new ATOM 0 HA ASN A 12 6.456 18.788 -24.830 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.896 19.731 -24.677 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.553 20.857 -24.682 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.251 22.217 -21.519 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.214 22.196 -22.949 1.00 0.00 H new ATOM 229 N VAL A 13 8.792 17.604 -22.826 1.00 0.00 N ATOM 230 CA VAL A 13 9.625 16.445 -22.570 1.00 0.00 C ATOM 231 C VAL A 13 8.795 15.254 -22.105 1.00 0.00 C ATOM 232 O VAL A 13 7.993 15.361 -21.173 1.00 0.00 O ATOM 233 CB VAL A 13 10.698 16.781 -21.521 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.493 15.550 -21.137 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.621 17.867 -22.045 1.00 0.00 C ATOM 0 H VAL A 13 9.025 18.418 -22.257 1.00 0.00 H new ATOM 0 HA VAL A 13 10.111 16.172 -23.506 1.00 0.00 H new ATOM 0 HB VAL A 13 10.195 17.147 -20.626 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.244 15.819 -20.394 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.822 14.799 -20.720 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.986 15.145 -22.021 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.376 18.096 -21.293 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.109 17.521 -22.956 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.041 18.764 -22.262 1.00 0.00 H new ATOM 245 N ALA A 14 8.986 14.128 -22.775 1.00 0.00 N ATOM 246 CA ALA A 14 8.272 12.906 -22.453 1.00 0.00 C ATOM 247 C ALA A 14 9.260 11.793 -22.105 1.00 0.00 C ATOM 248 O ALA A 14 8.983 10.603 -22.290 1.00 0.00 O ATOM 249 CB ALA A 14 7.391 12.509 -23.624 1.00 0.00 C ATOM 0 H ALA A 14 9.638 14.037 -23.554 1.00 0.00 H new ATOM 0 HA ALA A 14 7.638 13.074 -21.583 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.855 11.591 -23.381 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.674 13.305 -23.826 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.010 12.345 -24.506 1.00 0.00 H new ATOM 255 N VAL A 15 10.416 12.200 -21.606 1.00 0.00 N ATOM 256 CA VAL A 15 11.480 11.284 -21.218 1.00 0.00 C ATOM 257 C VAL A 15 12.084 11.764 -19.904 1.00 0.00 C ATOM 258 O VAL A 15 12.201 12.967 -19.679 1.00 0.00 O ATOM 259 CB VAL A 15 12.585 11.201 -22.305 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.722 10.290 -21.867 1.00 0.00 C ATOM 261 CG2 VAL A 15 12.002 10.719 -23.623 1.00 0.00 C ATOM 0 H VAL A 15 10.645 13.183 -21.457 1.00 0.00 H new ATOM 0 HA VAL A 15 11.057 10.286 -21.101 1.00 0.00 H new ATOM 0 HB VAL A 15 12.990 12.203 -22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.480 10.252 -22.649 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.166 10.677 -20.950 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.336 9.287 -21.688 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.791 10.667 -24.373 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.565 9.730 -23.487 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.231 11.414 -23.956 1.00 0.00 H new ATOM 271 N THR A 16 12.442 10.827 -19.039 1.00 0.00 N ATOM 272 CA THR A 16 13.004 11.153 -17.731 1.00 0.00 C ATOM 273 C THR A 16 14.307 11.947 -17.864 1.00 0.00 C ATOM 274 O THR A 16 14.802 12.150 -18.972 1.00 0.00 O ATOM 275 CB THR A 16 13.293 9.871 -16.928 1.00 0.00 C ATOM 276 OG1 THR A 16 14.223 9.052 -17.652 1.00 0.00 O ATOM 277 CG2 THR A 16 12.015 9.088 -16.674 1.00 0.00 C ATOM 0 H THR A 16 12.353 9.827 -19.219 1.00 0.00 H new ATOM 0 HA THR A 16 12.265 11.761 -17.209 1.00 0.00 H new ATOM 0 HB THR A 16 13.719 10.155 -15.966 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.712 9.604 -18.297 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.247 8.188 -16.105 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.317 9.705 -16.108 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.564 8.809 -17.626 1.00 0.00 H new ATOM 285 N VAL A 17 14.867 12.392 -16.747 1.00 0.00 N ATOM 286 CA VAL A 17 16.186 13.008 -16.761 1.00 0.00 C ATOM 287 C VAL A 17 17.216 12.028 -17.334 1.00 0.00 C ATOM 288 O VAL A 17 18.169 12.426 -18.005 1.00 0.00 O ATOM 289 CB VAL A 17 16.599 13.488 -15.349 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.485 12.369 -14.327 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.006 14.064 -15.360 1.00 0.00 C ATOM 0 H VAL A 17 14.432 12.338 -15.826 1.00 0.00 H new ATOM 0 HA VAL A 17 16.148 13.888 -17.403 1.00 0.00 H new ATOM 0 HB VAL A 17 15.908 14.279 -15.056 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.783 12.740 -13.346 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.454 12.018 -14.285 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.137 11.545 -14.616 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.272 14.394 -14.356 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.710 13.299 -15.689 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.047 14.912 -16.043 1.00 0.00 H new ATOM 301 N SER A 18 16.988 10.744 -17.096 1.00 0.00 N ATOM 302 CA SER A 18 17.798 9.697 -17.690 1.00 0.00 C ATOM 303 C SER A 18 17.154 9.246 -19.005 1.00 0.00 C ATOM 304 O SER A 18 16.161 9.820 -19.443 1.00 0.00 O ATOM 305 CB SER A 18 17.905 8.531 -16.712 1.00 0.00 C ATOM 306 OG SER A 18 18.161 8.997 -15.399 1.00 0.00 O ATOM 0 H SER A 18 16.242 10.403 -16.490 1.00 0.00 H new ATOM 0 HA SER A 18 18.800 10.069 -17.902 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.980 7.954 -16.724 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.704 7.859 -17.026 1.00 0.00 H new ATOM 0 HG SER A 18 17.316 9.071 -14.908 1.00 0.00 H new ATOM 312 N GLY A 19 17.697 8.207 -19.618 1.00 0.00 N ATOM 313 CA GLY A 19 17.192 7.767 -20.907 1.00 0.00 C ATOM 314 C GLY A 19 16.007 6.827 -20.789 1.00 0.00 C ATOM 315 O GLY A 19 15.799 5.973 -21.650 1.00 0.00 O ATOM 0 H GLY A 19 18.476 7.660 -19.251 1.00 0.00 H new ATOM 0 HA2 GLY A 19 16.901 8.638 -21.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 17.992 7.268 -21.453 1.00 0.00 H new ATOM 319 N HIS A 20 15.222 6.988 -19.734 1.00 0.00 N ATOM 320 CA HIS A 20 14.064 6.135 -19.506 1.00 0.00 C ATOM 321 C HIS A 20 12.824 6.744 -20.145 1.00 0.00 C ATOM 322 O HIS A 20 12.536 7.928 -19.962 1.00 0.00 O ATOM 323 CB HIS A 20 13.821 5.915 -18.008 1.00 0.00 C ATOM 324 CG HIS A 20 14.917 5.159 -17.319 1.00 0.00 C ATOM 325 ND1 HIS A 20 16.112 5.734 -16.950 1.00 0.00 N ATOM 326 CD2 HIS A 20 14.995 3.864 -16.937 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.879 4.826 -16.377 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.225 3.683 -16.355 1.00 0.00 N ATOM 0 H HIS A 20 15.366 7.703 -19.021 1.00 0.00 H new ATOM 0 HA HIS A 20 14.268 5.168 -19.966 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.701 6.884 -17.523 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.883 5.375 -17.878 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.231 3.112 -17.066 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.874 4.992 -15.991 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.575 2.806 -15.969 1.00 0.00 H new ATOM 337 N THR A 21 12.107 5.933 -20.899 1.00 0.00 N ATOM 338 CA THR A 21 10.876 6.358 -21.539 1.00 0.00 C ATOM 339 C THR A 21 9.796 6.630 -20.499 1.00 0.00 C ATOM 340 O THR A 21 9.493 5.770 -19.668 1.00 0.00 O ATOM 341 CB THR A 21 10.393 5.274 -22.529 1.00 0.00 C ATOM 342 OG1 THR A 21 11.320 5.155 -23.617 1.00 0.00 O ATOM 343 CG2 THR A 21 8.997 5.572 -23.060 1.00 0.00 C ATOM 0 H THR A 21 12.360 4.963 -21.085 1.00 0.00 H new ATOM 0 HA THR A 21 11.072 7.281 -22.085 1.00 0.00 H new ATOM 0 HB THR A 21 10.344 4.329 -21.988 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.008 4.465 -24.239 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.696 4.786 -23.752 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.293 5.613 -22.229 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.002 6.530 -23.579 1.00 0.00 H new ATOM 351 N CYS A 22 9.253 7.843 -20.510 1.00 0.00 N ATOM 352 CA CYS A 22 8.152 8.173 -19.623 1.00 0.00 C ATOM 353 C CYS A 22 6.900 7.390 -20.002 1.00 0.00 C ATOM 354 O CYS A 22 6.344 7.560 -21.086 1.00 0.00 O ATOM 355 CB CYS A 22 7.853 9.671 -19.628 1.00 0.00 C ATOM 356 SG CYS A 22 9.026 10.677 -18.664 1.00 0.00 S ATOM 0 H CYS A 22 9.556 8.604 -21.118 1.00 0.00 H new ATOM 0 HA CYS A 22 8.454 7.893 -18.614 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.852 10.025 -20.659 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.849 9.830 -19.235 1.00 0.00 H new ATOM 361 N GLN A 23 6.504 6.501 -19.117 1.00 0.00 N ATOM 362 CA GLN A 23 5.252 5.771 -19.227 1.00 0.00 C ATOM 363 C GLN A 23 4.057 6.732 -19.155 1.00 0.00 C ATOM 364 O GLN A 23 4.106 7.747 -18.456 1.00 0.00 O ATOM 365 CB GLN A 23 5.200 4.764 -18.086 1.00 0.00 C ATOM 366 CG GLN A 23 3.884 4.050 -17.925 1.00 0.00 C ATOM 367 CD GLN A 23 3.591 3.808 -16.483 1.00 0.00 C ATOM 368 OE1 GLN A 23 4.082 2.866 -15.876 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.755 4.646 -15.931 1.00 0.00 N ATOM 0 H GLN A 23 7.047 6.259 -18.288 1.00 0.00 H new ATOM 0 HA GLN A 23 5.198 5.257 -20.187 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.982 4.021 -18.242 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.432 5.281 -17.155 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.085 4.644 -18.369 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.911 3.101 -18.460 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.371 5.417 -16.477 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.486 4.529 -14.954 1.00 0.00 H new ATOM 378 N HIS A 24 2.986 6.389 -19.863 1.00 0.00 N ATOM 379 CA HIS A 24 1.815 7.261 -19.984 1.00 0.00 C ATOM 380 C HIS A 24 1.058 7.366 -18.666 1.00 0.00 C ATOM 381 O HIS A 24 0.996 6.410 -17.889 1.00 0.00 O ATOM 382 CB HIS A 24 0.877 6.738 -21.074 1.00 0.00 C ATOM 383 CG HIS A 24 1.526 6.616 -22.418 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.077 5.443 -22.877 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.724 7.529 -23.398 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.588 5.638 -24.077 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.389 6.895 -24.418 1.00 0.00 N ATOM 0 H HIS A 24 2.902 5.506 -20.367 1.00 0.00 H new ATOM 0 HA HIS A 24 2.171 8.255 -20.254 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.495 5.762 -20.775 1.00 0.00 H new ATOM 0 HB3 HIS A 24 0.019 7.405 -21.154 1.00 0.00 H new ATOM 0 HD2 HIS A 24 1.416 8.564 -23.381 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.086 4.892 -24.679 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.681 7.326 -25.295 1.00 0.00 H new ATOM 396 N TRP A 25 0.505 8.548 -18.417 1.00 0.00 N ATOM 397 CA TRP A 25 -0.276 8.806 -17.213 1.00 0.00 C ATOM 398 C TRP A 25 -1.583 8.025 -17.226 1.00 0.00 C ATOM 399 O TRP A 25 -2.009 7.493 -16.206 1.00 0.00 O ATOM 400 CB TRP A 25 -0.568 10.296 -17.066 1.00 0.00 C ATOM 401 CG TRP A 25 0.664 11.135 -16.975 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.157 11.969 -17.933 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.565 11.219 -15.866 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.303 12.573 -17.485 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.580 12.123 -16.222 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.613 10.617 -14.607 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.630 12.438 -15.365 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.655 10.929 -13.758 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.653 11.831 -14.141 1.00 0.00 C ATOM 0 H TRP A 25 0.585 9.351 -19.041 1.00 0.00 H new ATOM 0 HA TRP A 25 0.318 8.475 -16.361 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.163 10.628 -17.917 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.173 10.454 -16.173 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.710 12.130 -18.903 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.860 13.249 -18.008 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.847 9.919 -14.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.399 13.137 -15.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.701 10.469 -12.782 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.458 12.052 -13.456 1.00 0.00 H new ATOM 420 N SER A 26 -2.227 7.985 -18.380 1.00 0.00 N ATOM 421 CA SER A 26 -3.464 7.245 -18.548 1.00 0.00 C ATOM 422 C SER A 26 -3.210 5.739 -18.556 1.00 0.00 C ATOM 423 O SER A 26 -4.142 4.940 -18.473 1.00 0.00 O ATOM 424 CB SER A 26 -4.139 7.692 -19.842 1.00 0.00 C ATOM 425 OG SER A 26 -3.192 7.790 -20.893 1.00 0.00 O ATOM 0 H SER A 26 -1.908 8.463 -19.223 1.00 0.00 H new ATOM 0 HA SER A 26 -4.123 7.454 -17.705 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.920 6.982 -20.115 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.623 8.657 -19.691 1.00 0.00 H new ATOM 0 HG SER A 26 -3.643 8.076 -21.714 1.00 0.00 H new ATOM 431 N ALA A 27 -1.941 5.364 -18.641 1.00 0.00 N ATOM 432 CA ALA A 27 -1.557 3.968 -18.650 1.00 0.00 C ATOM 433 C ALA A 27 -1.110 3.539 -17.265 1.00 0.00 C ATOM 434 O ALA A 27 -0.225 4.149 -16.662 1.00 0.00 O ATOM 435 CB ALA A 27 -0.452 3.727 -19.665 1.00 0.00 C ATOM 0 H ALA A 27 -1.159 6.016 -18.705 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.422 3.370 -18.937 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.176 2.673 -19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.804 4.004 -20.659 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.417 4.332 -19.407 1.00 0.00 H new ATOM 441 N GLN A 28 -1.744 2.508 -16.753 1.00 0.00 N ATOM 442 CA GLN A 28 -1.389 1.946 -15.460 1.00 0.00 C ATOM 443 C GLN A 28 -0.374 0.821 -15.634 1.00 0.00 C ATOM 444 O GLN A 28 -0.086 0.064 -14.707 1.00 0.00 O ATOM 445 CB GLN A 28 -2.644 1.437 -14.759 1.00 0.00 C ATOM 446 CG GLN A 28 -3.579 2.546 -14.297 1.00 0.00 C ATOM 447 CD GLN A 28 -3.123 3.166 -13.006 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.530 2.755 -11.923 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.254 4.148 -13.115 1.00 0.00 N ATOM 0 H GLN A 28 -2.519 2.033 -17.216 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.934 2.722 -14.844 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.185 0.776 -15.436 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.350 0.839 -13.897 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.638 3.315 -15.067 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.584 2.144 -14.171 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.945 4.455 -14.037 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.889 4.602 -12.277 1.00 0.00 H new ATOM 458 N THR A 29 0.149 0.729 -16.839 1.00 0.00 N ATOM 459 CA THR A 29 1.195 -0.215 -17.181 1.00 0.00 C ATOM 460 C THR A 29 2.333 0.557 -17.847 1.00 0.00 C ATOM 461 O THR A 29 2.068 1.498 -18.596 1.00 0.00 O ATOM 462 CB THR A 29 0.651 -1.290 -18.149 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.577 -1.826 -17.637 1.00 0.00 O ATOM 464 CG2 THR A 29 1.650 -2.421 -18.346 1.00 0.00 C ATOM 0 H THR A 29 -0.144 1.316 -17.620 1.00 0.00 H new ATOM 0 HA THR A 29 1.553 -0.716 -16.282 1.00 0.00 H new ATOM 0 HB THR A 29 0.479 -0.814 -19.114 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.920 -2.506 -18.254 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.234 -3.158 -19.032 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.575 -2.021 -18.760 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.857 -2.895 -17.386 1.00 0.00 H new ATOM 472 N PRO A 30 3.613 0.212 -17.598 1.00 0.00 N ATOM 473 CA PRO A 30 4.026 -0.885 -16.701 1.00 0.00 C ATOM 474 C PRO A 30 3.698 -0.668 -15.214 1.00 0.00 C ATOM 475 O PRO A 30 3.248 -1.591 -14.539 1.00 0.00 O ATOM 476 CB PRO A 30 5.548 -0.959 -16.897 1.00 0.00 C ATOM 477 CG PRO A 30 5.950 0.354 -17.492 1.00 0.00 C ATOM 478 CD PRO A 30 4.762 0.863 -18.244 1.00 0.00 C ATOM 0 HA PRO A 30 3.484 -1.796 -16.953 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.056 -1.129 -15.948 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.817 -1.785 -17.555 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.247 1.057 -16.714 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.806 0.233 -18.156 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.689 1.949 -18.184 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.821 0.606 -19.302 1.00 0.00 H new ATOM 486 N HIS A 31 3.923 0.537 -14.707 1.00 0.00 N ATOM 487 CA HIS A 31 3.766 0.812 -13.276 1.00 0.00 C ATOM 488 C HIS A 31 2.348 1.279 -12.936 1.00 0.00 C ATOM 489 O HIS A 31 1.868 2.273 -13.483 1.00 0.00 O ATOM 490 CB HIS A 31 4.788 1.859 -12.814 1.00 0.00 C ATOM 491 CG HIS A 31 6.196 1.341 -12.761 1.00 0.00 C ATOM 492 ND1 HIS A 31 7.160 1.656 -13.701 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.808 0.547 -11.853 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.298 1.073 -13.369 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.112 0.396 -12.255 1.00 0.00 N ATOM 0 H HIS A 31 4.215 1.342 -15.261 1.00 0.00 H new ATOM 0 HA HIS A 31 3.945 -0.123 -12.746 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.750 2.715 -13.488 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.505 2.220 -11.825 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.015 2.245 -14.521 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.355 0.112 -10.974 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.225 1.140 -13.919 1.00 0.00 H new ATOM 504 N THR A 32 1.695 0.576 -12.010 1.00 0.00 N ATOM 505 CA THR A 32 0.337 0.923 -11.594 1.00 0.00 C ATOM 506 C THR A 32 0.351 2.083 -10.586 1.00 0.00 C ATOM 507 O THR A 32 0.343 1.898 -9.369 1.00 0.00 O ATOM 508 CB THR A 32 -0.417 -0.305 -11.019 1.00 0.00 C ATOM 509 OG1 THR A 32 -1.715 0.084 -10.553 1.00 0.00 O ATOM 510 CG2 THR A 32 0.354 -0.978 -9.888 1.00 0.00 C ATOM 0 H THR A 32 2.085 -0.237 -11.534 1.00 0.00 H new ATOM 0 HA THR A 32 -0.204 1.251 -12.482 1.00 0.00 H new ATOM 0 HB THR A 32 -0.517 -1.028 -11.829 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.182 -0.699 -10.194 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.214 -1.832 -9.518 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.321 -1.318 -10.259 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.507 -0.265 -9.077 1.00 0.00 H new ATOM 518 N HIS A 33 0.387 3.286 -11.127 1.00 0.00 N ATOM 519 CA HIS A 33 0.516 4.509 -10.332 1.00 0.00 C ATOM 520 C HIS A 33 -0.835 5.120 -9.990 1.00 0.00 C ATOM 521 O HIS A 33 -1.822 4.900 -10.672 1.00 0.00 O ATOM 522 CB HIS A 33 1.353 5.531 -11.095 1.00 0.00 C ATOM 523 CG HIS A 33 0.861 5.780 -12.487 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.182 6.912 -12.862 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.960 5.024 -13.601 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.111 6.839 -14.143 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.352 5.707 -14.615 1.00 0.00 N ATOM 0 H HIS A 33 0.328 3.451 -12.132 1.00 0.00 H new ATOM 0 HA HIS A 33 1.005 4.239 -9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.356 6.472 -10.544 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.386 5.185 -11.139 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.433 4.056 -13.676 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.644 7.587 -14.711 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.271 5.389 -15.581 1.00 0.00 H new ATOM 536 N ASN A 34 -0.841 5.937 -8.954 1.00 0.00 N ATOM 537 CA ASN A 34 -2.055 6.604 -8.495 1.00 0.00 C ATOM 538 C ASN A 34 -2.223 7.952 -9.185 1.00 0.00 C ATOM 539 O ASN A 34 -3.331 8.472 -9.295 1.00 0.00 O ATOM 540 CB ASN A 34 -1.987 6.804 -6.980 1.00 0.00 C ATOM 541 CG ASN A 34 -0.791 6.096 -6.377 1.00 0.00 C ATOM 542 OD1 ASN A 34 0.288 6.674 -6.266 1.00 0.00 O ATOM 543 ND2 ASN A 34 -0.957 4.834 -6.019 1.00 0.00 N ATOM 0 H ASN A 34 -0.010 6.160 -8.405 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.912 5.979 -8.745 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.931 7.869 -6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.902 6.429 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.174 4.305 -5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.868 4.389 -6.127 1.00 0.00 H new ATOM 550 N ARG A 36 -1.114 8.525 -9.641 1.00 0.00 N ATOM 551 CA ARG A 36 -1.156 9.815 -10.329 1.00 0.00 C ATOM 552 C ARG A 36 -1.595 9.630 -11.775 1.00 0.00 C ATOM 553 O ARG A 36 -0.769 9.376 -12.646 1.00 0.00 O ATOM 554 CB ARG A 36 0.210 10.529 -10.296 1.00 0.00 C ATOM 555 CG ARG A 36 0.683 10.965 -8.912 1.00 0.00 C ATOM 556 CD ARG A 36 1.234 9.798 -8.105 1.00 0.00 C ATOM 557 NE ARG A 36 1.690 10.205 -6.776 1.00 0.00 N ATOM 558 CZ ARG A 36 2.374 9.421 -5.937 1.00 0.00 C ATOM 559 NH1 ARG A 36 2.702 8.180 -6.282 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 2.730 9.887 -4.752 1.00 0.00 N ATOM 0 H ARG A 36 -0.181 8.122 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.878 10.438 -9.801 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.960 9.865 -10.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.158 11.408 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.453 11.730 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.147 11.420 -8.372 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.463 9.034 -8.003 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.063 9.344 -8.647 1.00 0.00 H new ATOM 0 HE ARG A 36 1.471 11.152 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.432 7.816 -7.196 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.224 7.591 -5.633 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.482 10.839 -4.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.252 9.294 -4.107 1.00 0.00 H new ATOM 574 N THR A 37 -2.886 9.765 -12.019 1.00 0.00 N ATOM 575 CA THR A 37 -3.456 9.558 -13.341 1.00 0.00 C ATOM 576 C THR A 37 -4.366 10.728 -13.675 1.00 0.00 C ATOM 577 O THR A 37 -4.786 11.454 -12.774 1.00 0.00 O ATOM 578 CB THR A 37 -4.269 8.241 -13.408 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.223 8.198 -12.341 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.357 7.029 -13.318 1.00 0.00 C ATOM 0 H THR A 37 -3.570 10.021 -11.307 1.00 0.00 H new ATOM 0 HA THR A 37 -2.640 9.489 -14.061 1.00 0.00 H new ATOM 0 HB THR A 37 -4.788 8.216 -14.366 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.750 7.374 -12.406 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.955 6.119 -13.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.649 7.044 -14.147 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.811 7.054 -12.375 1.00 0.00 H new ATOM 588 N PRO A 38 -4.667 10.954 -14.963 1.00 0.00 N ATOM 589 CA PRO A 38 -5.594 12.010 -15.378 1.00 0.00 C ATOM 590 C PRO A 38 -6.988 11.823 -14.779 1.00 0.00 C ATOM 591 O PRO A 38 -7.840 12.703 -14.870 1.00 0.00 O ATOM 592 CB PRO A 38 -5.641 11.903 -16.904 1.00 0.00 C ATOM 593 CG PRO A 38 -4.982 10.610 -17.256 1.00 0.00 C ATOM 594 CD PRO A 38 -4.096 10.233 -16.109 1.00 0.00 C ATOM 0 HA PRO A 38 -5.262 12.989 -15.033 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.670 11.925 -17.263 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.123 12.742 -17.368 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.728 9.836 -17.436 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.401 10.712 -18.173 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.096 9.156 -15.942 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.062 10.527 -16.290 1.00 0.00 H new ATOM 602 N GLU A 39 -7.205 10.660 -14.179 1.00 0.00 N ATOM 603 CA GLU A 39 -8.422 10.383 -13.425 1.00 0.00 C ATOM 604 C GLU A 39 -8.413 11.186 -12.129 1.00 0.00 C ATOM 605 O GLU A 39 -9.443 11.660 -11.657 1.00 0.00 O ATOM 606 CB GLU A 39 -8.484 8.899 -13.068 1.00 0.00 C ATOM 607 CG GLU A 39 -8.172 7.964 -14.216 1.00 0.00 C ATOM 608 CD GLU A 39 -7.937 6.548 -13.737 1.00 0.00 C ATOM 609 OE1 GLU A 39 -6.854 6.285 -13.177 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.834 5.696 -13.902 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.544 9.883 -14.201 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.283 10.657 -14.035 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.783 8.704 -12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.481 8.670 -12.690 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.997 7.975 -14.929 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.288 8.320 -14.746 1.00 0.00 H new ATOM 617 N ASN A 40 -7.220 11.327 -11.571 1.00 0.00 N ATOM 618 CA ASN A 40 -7.033 11.942 -10.267 1.00 0.00 C ATOM 619 C ASN A 40 -6.579 13.384 -10.372 1.00 0.00 C ATOM 620 O ASN A 40 -6.894 14.207 -9.515 1.00 0.00 O ATOM 621 CB ASN A 40 -6.005 11.140 -9.461 1.00 0.00 C ATOM 622 CG ASN A 40 -6.637 10.045 -8.620 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.782 10.161 -8.178 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.896 8.970 -8.385 1.00 0.00 N ATOM 0 H ASN A 40 -6.353 11.017 -12.011 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.999 11.936 -9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.282 10.695 -10.145 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.452 11.818 -8.810 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.270 8.206 -7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.952 8.908 -8.767 1.00 0.00 H new ATOM 631 N PHE A 41 -5.844 13.692 -11.422 1.00 0.00 N ATOM 632 CA PHE A 41 -5.256 15.010 -11.561 1.00 0.00 C ATOM 633 C PHE A 41 -5.459 15.551 -12.970 1.00 0.00 C ATOM 634 O PHE A 41 -4.492 15.780 -13.696 1.00 0.00 O ATOM 635 CB PHE A 41 -3.759 14.956 -11.241 1.00 0.00 C ATOM 636 CG PHE A 41 -3.438 14.499 -9.845 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.243 13.154 -9.571 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.322 15.414 -8.811 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.941 12.731 -8.291 1.00 0.00 C ATOM 640 CE2 PHE A 41 -3.021 14.997 -7.528 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.829 13.653 -7.268 1.00 0.00 C ATOM 0 H PHE A 41 -5.640 13.051 -12.189 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.753 15.678 -10.858 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.272 14.287 -11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.331 15.947 -11.393 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.328 12.429 -10.367 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.468 16.465 -9.010 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.793 11.680 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.936 15.720 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.592 13.324 -6.267 1.00 0.00 H new ATOM 651 N PRO A 42 -6.719 15.767 -13.383 1.00 0.00 N ATOM 652 CA PRO A 42 -7.022 16.287 -14.715 1.00 0.00 C ATOM 653 C PRO A 42 -6.498 17.711 -14.903 1.00 0.00 C ATOM 654 O PRO A 42 -6.025 18.083 -15.977 1.00 0.00 O ATOM 655 CB PRO A 42 -8.557 16.268 -14.785 1.00 0.00 C ATOM 656 CG PRO A 42 -8.993 15.386 -13.664 1.00 0.00 C ATOM 657 CD PRO A 42 -7.943 15.518 -12.602 1.00 0.00 C ATOM 0 HA PRO A 42 -6.549 15.694 -15.498 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.968 17.272 -14.678 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.902 15.883 -15.745 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.970 15.689 -13.287 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.086 14.352 -13.995 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.160 16.338 -11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.861 14.614 -11.999 1.00 0.00 H new ATOM 665 N SER A 43 -6.552 18.493 -13.830 1.00 0.00 N ATOM 666 CA SER A 43 -6.134 19.890 -13.872 1.00 0.00 C ATOM 667 C SER A 43 -4.620 20.018 -13.691 1.00 0.00 C ATOM 668 O SER A 43 -4.093 21.117 -13.519 1.00 0.00 O ATOM 669 CB SER A 43 -6.870 20.682 -12.788 1.00 0.00 C ATOM 670 OG SER A 43 -8.263 20.394 -12.813 1.00 0.00 O ATOM 0 H SER A 43 -6.883 18.181 -12.917 1.00 0.00 H new ATOM 0 HA SER A 43 -6.388 20.298 -14.850 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.460 20.435 -11.809 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.712 21.750 -12.940 1.00 0.00 H new ATOM 0 HG SER A 43 -8.716 20.908 -12.112 1.00 0.00 H new ATOM 676 N LYS A 44 -3.928 18.888 -13.738 1.00 0.00 N ATOM 677 CA LYS A 44 -2.473 18.874 -13.673 1.00 0.00 C ATOM 678 C LYS A 44 -1.924 18.623 -15.062 1.00 0.00 C ATOM 679 O LYS A 44 -0.716 18.621 -15.293 1.00 0.00 O ATOM 680 CB LYS A 44 -1.970 17.794 -12.709 1.00 0.00 C ATOM 681 CG LYS A 44 -2.244 18.097 -11.245 1.00 0.00 C ATOM 682 CD LYS A 44 -1.403 19.260 -10.748 1.00 0.00 C ATOM 683 CE LYS A 44 -1.648 19.531 -9.274 1.00 0.00 C ATOM 684 NZ LYS A 44 -3.045 19.958 -9.012 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.353 17.965 -13.821 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.128 19.838 -13.300 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.439 16.844 -12.967 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.896 17.668 -12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.301 18.329 -11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.034 17.212 -10.644 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.347 19.042 -10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.636 20.153 -11.327 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.430 18.631 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.962 20.304 -8.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.123 20.310 -8.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.307 20.715 -9.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.685 19.149 -9.140 1.00 0.00 H new ATOM 698 N ASN A 45 -2.867 18.401 -15.975 1.00 0.00 N ATOM 699 CA ASN A 45 -2.590 18.191 -17.387 1.00 0.00 C ATOM 700 C ASN A 45 -1.736 16.955 -17.602 1.00 0.00 C ATOM 701 O ASN A 45 -0.643 17.031 -18.146 1.00 0.00 O ATOM 702 CB ASN A 45 -1.922 19.423 -18.019 1.00 0.00 C ATOM 703 CG ASN A 45 -2.764 20.683 -17.901 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.256 21.796 -18.045 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.045 20.522 -17.600 1.00 0.00 N ATOM 0 H ASN A 45 -3.860 18.362 -15.747 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.548 18.035 -17.884 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.957 19.592 -17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.725 19.222 -19.072 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.647 21.337 -17.480 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.429 19.583 -17.489 1.00 0.00 H new ATOM 712 N LEU A 46 -2.255 15.804 -17.203 1.00 0.00 N ATOM 713 CA LEU A 46 -1.553 14.543 -17.408 1.00 0.00 C ATOM 714 C LEU A 46 -1.686 14.102 -18.863 1.00 0.00 C ATOM 715 O LEU A 46 -2.369 13.131 -19.197 1.00 0.00 O ATOM 716 CB LEU A 46 -2.073 13.478 -16.430 1.00 0.00 C ATOM 717 CG LEU A 46 -1.230 13.289 -15.149 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.322 14.485 -14.888 1.00 0.00 C ATOM 719 CD2 LEU A 46 -2.126 13.041 -13.938 1.00 0.00 C ATOM 0 H LEU A 46 -3.158 15.715 -16.736 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.491 14.680 -17.202 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.090 13.741 -16.140 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.127 12.523 -16.953 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.599 12.414 -15.308 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.254 14.313 -13.979 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.359 14.616 -15.729 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.928 15.383 -14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.509 12.911 -13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.791 13.893 -13.797 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.719 12.141 -14.102 1.00 0.00 H new ATOM 731 N ASP A 47 -1.013 14.867 -19.719 1.00 0.00 N ATOM 732 CA ASP A 47 -1.012 14.660 -21.158 1.00 0.00 C ATOM 733 C ASP A 47 -0.049 13.563 -21.554 1.00 0.00 C ATOM 734 O ASP A 47 1.146 13.649 -21.258 1.00 0.00 O ATOM 735 CB ASP A 47 -0.604 15.948 -21.886 1.00 0.00 C ATOM 736 CG ASP A 47 -1.671 17.015 -21.855 1.00 0.00 C ATOM 737 OD1 ASP A 47 -2.695 16.855 -22.554 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.492 18.026 -21.143 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.445 15.661 -19.423 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.024 14.372 -21.443 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.306 16.341 -21.432 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.367 15.711 -22.923 1.00 0.00 H new ATOM 743 N GLU A 48 -0.581 12.548 -22.228 1.00 0.00 N ATOM 744 CA GLU A 48 0.215 11.465 -22.789 1.00 0.00 C ATOM 745 C GLU A 48 1.123 10.826 -21.747 1.00 0.00 C ATOM 746 O GLU A 48 0.701 9.991 -20.947 1.00 0.00 O ATOM 747 CB GLU A 48 1.073 11.962 -23.964 1.00 0.00 C ATOM 748 CG GLU A 48 0.305 12.282 -25.242 1.00 0.00 C ATOM 749 CD GLU A 48 -0.658 13.443 -25.101 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.832 13.215 -24.749 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.250 14.589 -25.366 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.582 12.455 -22.400 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.491 10.714 -23.143 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.609 12.857 -23.648 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.823 11.204 -24.191 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.017 12.507 -26.036 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.250 11.397 -25.553 1.00 0.00 H new ATOM 758 N ASN A 49 2.370 11.247 -21.772 1.00 0.00 N ATOM 759 CA ASN A 49 3.388 10.731 -20.888 1.00 0.00 C ATOM 760 C ASN A 49 4.414 11.819 -20.626 1.00 0.00 C ATOM 761 O ASN A 49 5.541 11.551 -20.227 1.00 0.00 O ATOM 762 CB ASN A 49 4.033 9.495 -21.516 1.00 0.00 C ATOM 763 CG ASN A 49 4.663 9.770 -22.871 1.00 0.00 C ATOM 764 OD1 ASN A 49 3.971 9.851 -23.890 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.978 9.870 -22.905 1.00 0.00 N ATOM 0 H ASN A 49 2.707 11.965 -22.414 1.00 0.00 H new ATOM 0 HA ASN A 49 2.949 10.434 -19.936 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.796 9.108 -20.840 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.279 8.716 -21.625 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.455 10.019 -23.794 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.517 9.798 -22.042 1.00 0.00 H new ATOM 772 N TYR A 50 3.995 13.054 -20.876 1.00 0.00 N ATOM 773 CA TYR A 50 4.840 14.227 -20.665 1.00 0.00 C ATOM 774 C TYR A 50 5.228 14.348 -19.199 1.00 0.00 C ATOM 775 O TYR A 50 4.443 14.004 -18.316 1.00 0.00 O ATOM 776 CB TYR A 50 4.105 15.503 -21.081 1.00 0.00 C ATOM 777 CG TYR A 50 3.597 15.520 -22.508 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.942 14.524 -23.410 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.770 16.543 -22.948 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.480 14.550 -24.710 1.00 0.00 C ATOM 781 CE2 TYR A 50 2.302 16.574 -24.246 1.00 0.00 C ATOM 782 CZ TYR A 50 2.660 15.574 -25.122 1.00 0.00 C ATOM 783 OH TYR A 50 2.202 15.600 -26.417 1.00 0.00 O ATOM 0 H TYR A 50 3.063 13.272 -21.230 1.00 0.00 H new ATOM 0 HA TYR A 50 5.735 14.104 -21.275 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.259 15.651 -20.410 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.775 16.351 -20.941 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.582 13.715 -23.090 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.487 17.329 -22.263 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.761 13.769 -25.401 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.659 17.378 -24.573 1.00 0.00 H new ATOM 0 HH TYR A 50 1.277 15.278 -26.443 1.00 0.00 H new ATOM 793 N CYS A 51 6.433 14.838 -18.948 1.00 0.00 N ATOM 794 CA CYS A 51 6.903 15.070 -17.588 1.00 0.00 C ATOM 795 C CYS A 51 6.065 16.129 -16.878 1.00 0.00 C ATOM 796 O CYS A 51 6.385 17.320 -16.910 1.00 0.00 O ATOM 797 CB CYS A 51 8.355 15.518 -17.604 1.00 0.00 C ATOM 798 SG CYS A 51 9.530 14.269 -18.200 1.00 0.00 S ATOM 0 H CYS A 51 7.108 15.084 -19.672 1.00 0.00 H new ATOM 0 HA CYS A 51 6.808 14.129 -17.046 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.440 16.405 -18.231 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.641 15.813 -16.594 1.00 0.00 H new ATOM 803 N ARG A 52 4.991 15.693 -16.251 1.00 0.00 N ATOM 804 CA ARG A 52 4.142 16.581 -15.478 1.00 0.00 C ATOM 805 C ARG A 52 4.514 16.525 -14.009 1.00 0.00 C ATOM 806 O ARG A 52 5.446 15.826 -13.620 1.00 0.00 O ATOM 807 CB ARG A 52 2.676 16.206 -15.663 1.00 0.00 C ATOM 808 CG ARG A 52 2.165 16.458 -17.070 1.00 0.00 C ATOM 809 CD ARG A 52 2.352 17.914 -17.482 1.00 0.00 C ATOM 810 NE ARG A 52 1.647 18.213 -18.726 1.00 0.00 N ATOM 811 CZ ARG A 52 1.443 19.441 -19.196 1.00 0.00 C ATOM 812 NH1 ARG A 52 1.955 20.490 -18.573 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.707 19.620 -20.285 1.00 0.00 N ATOM 0 H ARG A 52 4.683 14.721 -16.261 1.00 0.00 H new ATOM 0 HA ARG A 52 4.292 17.599 -15.836 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.544 15.152 -15.419 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.071 16.774 -14.957 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.692 15.810 -17.771 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.108 16.196 -17.127 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.987 18.567 -16.690 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.414 18.125 -17.605 1.00 0.00 H new ATOM 0 HE ARG A 52 1.287 17.429 -19.270 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.510 20.360 -17.727 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.795 21.429 -18.939 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.298 18.816 -20.762 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.550 20.561 -20.646 1.00 0.00 H new ATOM 827 N ASN A 53 3.787 17.265 -13.196 1.00 0.00 N ATOM 828 CA ASN A 53 3.983 17.223 -11.757 1.00 0.00 C ATOM 829 C ASN A 53 2.626 17.150 -11.055 1.00 0.00 C ATOM 830 O ASN A 53 2.193 18.103 -10.411 1.00 0.00 O ATOM 831 CB ASN A 53 4.767 18.455 -11.293 1.00 0.00 C ATOM 832 CG ASN A 53 5.230 18.349 -9.853 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.795 17.467 -9.110 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.103 19.259 -9.447 1.00 0.00 N ATOM 0 H ASN A 53 3.054 17.904 -13.505 1.00 0.00 H new ATOM 0 HA ASN A 53 4.560 16.335 -11.498 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.634 18.593 -11.939 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.142 19.341 -11.405 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.442 19.247 -8.485 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.436 19.971 -10.096 1.00 0.00 H new ATOM 841 N PRO A 54 1.923 16.009 -11.192 1.00 0.00 N ATOM 842 CA PRO A 54 0.599 15.827 -10.591 1.00 0.00 C ATOM 843 C PRO A 54 0.649 15.680 -9.071 1.00 0.00 C ATOM 844 O PRO A 54 -0.130 16.308 -8.356 1.00 0.00 O ATOM 845 CB PRO A 54 0.086 14.540 -11.236 1.00 0.00 C ATOM 846 CG PRO A 54 1.309 13.791 -11.645 1.00 0.00 C ATOM 847 CD PRO A 54 2.350 14.826 -11.966 1.00 0.00 C ATOM 0 HA PRO A 54 -0.040 16.693 -10.764 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.514 13.960 -10.534 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.549 14.756 -12.095 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.648 13.134 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.107 13.161 -12.511 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.346 14.495 -11.673 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.386 15.039 -13.034 1.00 0.00 H new ATOM 855 N ASP A 55 1.563 14.842 -8.584 1.00 0.00 N ATOM 856 CA ASP A 55 1.689 14.586 -7.150 1.00 0.00 C ATOM 857 C ASP A 55 2.086 15.844 -6.386 1.00 0.00 C ATOM 858 O ASP A 55 1.640 16.066 -5.262 1.00 0.00 O ATOM 859 CB ASP A 55 2.717 13.484 -6.887 1.00 0.00 C ATOM 860 CG ASP A 55 2.784 13.091 -5.424 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.863 12.392 -4.956 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.767 13.455 -4.747 1.00 0.00 O1- ATOM 0 H ASP A 55 2.228 14.328 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 55 0.711 14.262 -6.794 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.466 12.607 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.700 13.823 -7.215 1.00 0.00 H new ATOM 867 N GLY A 56 2.914 16.666 -7.016 1.00 0.00 N ATOM 868 CA GLY A 56 3.391 17.876 -6.382 1.00 0.00 C ATOM 869 C GLY A 56 4.771 17.704 -5.788 1.00 0.00 C ATOM 870 O GLY A 56 4.962 17.839 -4.579 1.00 0.00 O ATOM 0 H GLY A 56 3.265 16.514 -7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.410 18.684 -7.113 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.694 18.172 -5.598 1.00 0.00 H new ATOM 874 N LYS A 57 5.733 17.390 -6.642 1.00 0.00 N ATOM 875 CA LYS A 57 7.119 17.274 -6.226 1.00 0.00 C ATOM 876 C LYS A 57 7.829 18.597 -6.481 1.00 0.00 C ATOM 877 O LYS A 57 7.181 19.594 -6.803 1.00 0.00 O ATOM 878 CB LYS A 57 7.833 16.139 -6.980 1.00 0.00 C ATOM 879 CG LYS A 57 7.027 14.848 -7.076 1.00 0.00 C ATOM 880 CD LYS A 57 6.609 14.318 -5.713 1.00 0.00 C ATOM 881 CE LYS A 57 7.785 13.786 -4.911 1.00 0.00 C ATOM 882 NZ LYS A 57 7.356 13.291 -3.574 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.576 17.210 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 57 7.146 17.037 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.071 16.481 -7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.780 15.927 -6.483 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.138 15.023 -7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.620 14.091 -7.590 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.120 15.114 -5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.874 13.524 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.266 12.978 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.528 14.574 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.183 12.935 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.919 14.069 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.666 12.522 -3.693 1.00 0.00 H new ATOM 896 N ARG A 59 9.143 18.614 -6.348 1.00 0.00 N ATOM 897 CA ARG A 59 9.907 19.832 -6.581 1.00 0.00 C ATOM 898 C ARG A 59 10.055 20.124 -8.073 1.00 0.00 C ATOM 899 O ARG A 59 10.288 21.264 -8.471 1.00 0.00 O ATOM 900 CB ARG A 59 11.292 19.702 -5.958 1.00 0.00 C ATOM 901 CG ARG A 59 12.130 18.611 -6.603 1.00 0.00 C ATOM 902 CD ARG A 59 13.496 18.500 -5.950 1.00 0.00 C ATOM 903 NE ARG A 59 14.281 19.723 -6.124 1.00 0.00 N ATOM 904 CZ ARG A 59 15.386 20.006 -5.436 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.850 19.155 -4.531 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.035 21.144 -5.656 1.00 0.00 N ATOM 0 H ARG A 59 9.703 17.804 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 59 9.364 20.657 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.815 20.654 -6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.188 19.492 -4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.609 17.657 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.250 18.823 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.375 18.294 -4.887 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.037 17.656 -6.379 1.00 0.00 H new ATOM 0 HE ARG A 59 13.962 20.401 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.360 18.277 -4.358 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.697 19.378 -4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.687 21.803 -6.353 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.881 21.359 -5.128 1.00 0.00 H new ATOM 920 N ALA A 60 9.923 19.091 -8.889 1.00 0.00 N ATOM 921 CA ALA A 60 10.171 19.217 -10.319 1.00 0.00 C ATOM 922 C ALA A 60 9.322 18.223 -11.105 1.00 0.00 C ATOM 923 O ALA A 60 8.790 17.271 -10.528 1.00 0.00 O ATOM 924 CB ALA A 60 11.652 18.992 -10.604 1.00 0.00 C ATOM 0 H ALA A 60 9.646 18.157 -8.588 1.00 0.00 H new ATOM 0 HA ALA A 60 9.894 20.222 -10.636 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.835 19.087 -11.674 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.243 19.735 -10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.938 17.993 -10.274 1.00 0.00 H new ATOM 930 N PRO A 61 9.175 18.444 -12.426 1.00 0.00 N ATOM 931 CA PRO A 61 8.470 17.517 -13.321 1.00 0.00 C ATOM 932 C PRO A 61 9.012 16.103 -13.213 1.00 0.00 C ATOM 933 O PRO A 61 10.228 15.896 -13.152 1.00 0.00 O ATOM 934 CB PRO A 61 8.754 18.083 -14.713 1.00 0.00 C ATOM 935 CG PRO A 61 8.976 19.528 -14.479 1.00 0.00 C ATOM 936 CD PRO A 61 9.673 19.623 -13.153 1.00 0.00 C ATOM 0 HA PRO A 61 7.409 17.445 -13.083 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.629 17.613 -15.163 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.917 17.913 -15.390 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.583 19.964 -15.272 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.031 20.072 -14.465 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.757 19.599 -13.265 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.427 20.550 -12.634 1.00 0.00 H new ATOM 944 N TRP A 62 8.112 15.140 -13.194 1.00 0.00 N ATOM 945 CA TRP A 62 8.492 13.758 -13.011 1.00 0.00 C ATOM 946 C TRP A 62 7.539 12.840 -13.761 1.00 0.00 C ATOM 947 O TRP A 62 6.456 13.256 -14.171 1.00 0.00 O ATOM 948 CB TRP A 62 8.510 13.422 -11.521 1.00 0.00 C ATOM 949 CG TRP A 62 7.161 13.462 -10.871 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.495 14.556 -10.398 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.320 12.339 -10.615 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.288 14.177 -9.859 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.159 12.815 -9.980 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.445 10.974 -10.865 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.128 11.962 -9.590 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.425 10.132 -10.478 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.280 10.630 -9.845 1.00 0.00 C ATOM 0 H TRP A 62 7.109 15.293 -13.304 1.00 0.00 H new ATOM 0 HA TRP A 62 9.492 13.606 -13.416 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.936 12.428 -11.388 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.170 14.123 -11.009 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.862 15.571 -10.441 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.602 14.804 -9.439 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.325 10.583 -11.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.241 12.341 -9.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.510 9.072 -10.666 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.499 9.944 -9.552 1.00 0.00 H new ATOM 968 N CYS A 63 7.945 11.595 -13.948 1.00 0.00 N ATOM 969 CA CYS A 63 7.113 10.627 -14.636 1.00 0.00 C ATOM 970 C CYS A 63 7.454 9.217 -14.168 1.00 0.00 C ATOM 971 O CYS A 63 8.302 9.030 -13.296 1.00 0.00 O ATOM 972 CB CYS A 63 7.308 10.751 -16.151 1.00 0.00 C ATOM 973 SG CYS A 63 8.831 9.968 -16.772 1.00 0.00 S ATOM 0 H CYS A 63 8.845 11.233 -13.633 1.00 0.00 H new ATOM 0 HA CYS A 63 6.067 10.827 -14.402 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.451 10.304 -16.655 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.320 11.807 -16.420 1.00 0.00 H new ATOM 978 N HIS A 64 6.776 8.228 -14.732 1.00 0.00 N ATOM 979 CA HIS A 64 7.033 6.836 -14.391 1.00 0.00 C ATOM 980 C HIS A 64 7.794 6.185 -15.528 1.00 0.00 C ATOM 981 O HIS A 64 7.463 6.401 -16.684 1.00 0.00 O ATOM 982 CB HIS A 64 5.717 6.086 -14.118 1.00 0.00 C ATOM 983 CG HIS A 64 4.934 6.691 -13.001 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.965 7.653 -13.197 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.993 6.483 -11.667 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.465 8.010 -12.031 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.071 7.314 -11.087 1.00 0.00 N ATOM 0 H HIS A 64 6.043 8.364 -15.428 1.00 0.00 H new ATOM 0 HA HIS A 64 7.630 6.792 -13.480 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.110 6.084 -15.023 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.938 5.046 -13.880 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.645 5.791 -11.154 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.691 8.747 -11.874 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.883 7.384 -10.087 1.00 0.00 H new ATOM 996 N THR A 65 8.814 5.414 -15.211 1.00 0.00 N ATOM 997 CA THR A 65 9.645 4.823 -16.245 1.00 0.00 C ATOM 998 C THR A 65 8.986 3.570 -16.802 1.00 0.00 C ATOM 999 O THR A 65 8.310 2.832 -16.075 1.00 0.00 O ATOM 1000 CB THR A 65 11.050 4.472 -15.708 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.994 3.264 -14.950 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.588 5.594 -14.829 1.00 0.00 C ATOM 0 H THR A 65 9.087 5.182 -14.256 1.00 0.00 H new ATOM 0 HA THR A 65 9.755 5.561 -17.040 1.00 0.00 H new ATOM 0 HB THR A 65 11.717 4.341 -16.560 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.842 3.477 -14.006 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.578 5.325 -14.462 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.654 6.513 -15.412 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.917 5.748 -13.984 1.00 0.00 H new ATOM 1010 N THR A 66 9.152 3.350 -18.097 1.00 0.00 N ATOM 1011 CA THR A 66 8.704 2.123 -18.731 1.00 0.00 C ATOM 1012 C THR A 66 9.675 0.973 -18.472 1.00 0.00 C ATOM 1013 O THR A 66 9.728 0.007 -19.233 1.00 0.00 O ATOM 1014 CB THR A 66 8.553 2.322 -20.245 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.714 2.985 -20.756 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.311 3.137 -20.555 1.00 0.00 C ATOM 0 H THR A 66 9.597 4.012 -18.732 1.00 0.00 H new ATOM 0 HA THR A 66 7.737 1.870 -18.296 1.00 0.00 H new ATOM 0 HB THR A 66 8.451 1.347 -20.721 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.085 2.468 -21.501 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.221 3.267 -21.633 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.431 2.616 -20.178 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.388 4.113 -20.077 1.00 0.00 H new ATOM 1024 N ASN A 67 10.445 1.083 -17.399 1.00 0.00 N ATOM 1025 CA ASN A 67 11.409 0.051 -17.048 1.00 0.00 C ATOM 1026 C ASN A 67 11.148 -0.447 -15.639 1.00 0.00 C ATOM 1027 O ASN A 67 10.900 0.340 -14.736 1.00 0.00 O ATOM 1028 CB ASN A 67 12.841 0.587 -17.143 1.00 0.00 C ATOM 1029 CG ASN A 67 13.195 1.065 -18.539 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.688 0.297 -19.365 1.00 0.00 O ATOM 1031 ND2 ASN A 67 12.940 2.335 -18.813 1.00 0.00 N ATOM 0 H ASN A 67 10.421 1.876 -16.757 1.00 0.00 H new ATOM 0 HA ASN A 67 11.296 -0.773 -17.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.964 1.410 -16.439 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.538 -0.195 -16.843 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.153 2.710 -19.737 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.531 2.938 -18.100 1.00 0.00 H new ATOM 1038 N SER A 68 11.218 -1.753 -15.451 1.00 0.00 N ATOM 1039 CA SER A 68 10.982 -2.349 -14.141 1.00 0.00 C ATOM 1040 C SER A 68 12.210 -2.183 -13.244 1.00 0.00 C ATOM 1041 O SER A 68 12.250 -2.685 -12.122 1.00 0.00 O ATOM 1042 CB SER A 68 10.648 -3.830 -14.309 1.00 0.00 C ATOM 1043 OG SER A 68 9.613 -4.014 -15.265 1.00 0.00 O ATOM 0 H SER A 68 11.436 -2.424 -16.187 1.00 0.00 H new ATOM 0 HA SER A 68 10.143 -1.840 -13.666 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.539 -4.374 -14.623 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.341 -4.248 -13.350 1.00 0.00 H new ATOM 0 HG SER A 68 9.418 -4.970 -15.356 1.00 0.00 H new ATOM 1049 N GLN A 69 13.205 -1.468 -13.751 1.00 0.00 N ATOM 1050 CA GLN A 69 14.461 -1.278 -13.040 1.00 0.00 C ATOM 1051 C GLN A 69 14.342 -0.144 -12.026 1.00 0.00 C ATOM 1052 O GLN A 69 15.038 -0.128 -11.010 1.00 0.00 O ATOM 1053 CB GLN A 69 15.572 -0.968 -14.040 1.00 0.00 C ATOM 1054 CG GLN A 69 15.603 -1.925 -15.219 1.00 0.00 C ATOM 1055 CD GLN A 69 16.717 -1.612 -16.197 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.767 -1.093 -15.818 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.496 -1.925 -17.464 1.00 0.00 N ATOM 0 H GLN A 69 13.165 -1.007 -14.660 1.00 0.00 H new ATOM 0 HA GLN A 69 14.700 -2.195 -12.502 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.445 0.049 -14.410 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.533 -1.003 -13.527 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.723 -2.944 -14.851 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.646 -1.885 -15.740 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.612 -2.354 -17.737 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.210 -1.737 -18.168 1.00 0.00 H new ATOM 1066 N VAL A 70 13.457 0.802 -12.318 1.00 0.00 N ATOM 1067 CA VAL A 70 13.241 1.957 -11.467 1.00 0.00 C ATOM 1068 C VAL A 70 11.770 2.368 -11.512 1.00 0.00 C ATOM 1069 O VAL A 70 11.092 2.129 -12.507 1.00 0.00 O ATOM 1070 CB VAL A 70 14.147 3.123 -11.919 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.914 3.462 -13.377 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.965 4.355 -11.046 1.00 0.00 C ATOM 0 H VAL A 70 12.871 0.786 -13.153 1.00 0.00 H new ATOM 0 HA VAL A 70 13.498 1.699 -10.440 1.00 0.00 H new ATOM 0 HB VAL A 70 15.178 2.789 -11.804 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.565 4.286 -13.667 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.135 2.590 -13.993 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.874 3.754 -13.521 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.621 5.151 -11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.929 4.689 -11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.215 4.110 -10.014 1.00 0.00 H new ATOM 1082 N ARG A 71 11.269 2.961 -10.439 1.00 0.00 N ATOM 1083 CA ARG A 71 9.869 3.349 -10.374 1.00 0.00 C ATOM 1084 C ARG A 71 9.641 4.660 -11.139 1.00 0.00 C ATOM 1085 O ARG A 71 9.506 4.656 -12.368 1.00 0.00 O ATOM 1086 CB ARG A 71 9.426 3.472 -8.909 1.00 0.00 C ATOM 1087 CG ARG A 71 7.931 3.674 -8.716 1.00 0.00 C ATOM 1088 CD ARG A 71 7.536 3.512 -7.254 1.00 0.00 C ATOM 1089 NE ARG A 71 8.233 4.457 -6.374 1.00 0.00 N ATOM 1090 CZ ARG A 71 9.104 4.094 -5.428 1.00 0.00 C ATOM 1091 NH1 ARG A 71 9.481 2.823 -5.315 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 9.622 5.012 -4.618 1.00 0.00 N ATOM 0 H ARG A 71 11.810 3.183 -9.603 1.00 0.00 H new ATOM 0 HA ARG A 71 9.262 2.578 -10.849 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.730 2.572 -8.374 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.955 4.309 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.648 4.668 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.383 2.955 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.460 3.654 -7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.754 2.493 -6.933 1.00 0.00 H new ATOM 0 HE ARG A 71 8.041 5.452 -6.492 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.105 2.121 -5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.146 2.551 -4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.354 5.991 -4.719 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.287 4.737 -3.895 1.00 0.00 H new ATOM 1106 N TRP A 72 9.561 5.769 -10.417 1.00 0.00 N ATOM 1107 CA TRP A 72 9.424 7.074 -11.048 1.00 0.00 C ATOM 1108 C TRP A 72 10.783 7.756 -11.179 1.00 0.00 C ATOM 1109 O TRP A 72 11.746 7.359 -10.524 1.00 0.00 O ATOM 1110 CB TRP A 72 8.430 7.955 -10.279 1.00 0.00 C ATOM 1111 CG TRP A 72 8.893 8.384 -8.920 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.961 7.619 -7.795 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.330 9.693 -8.541 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.423 8.368 -6.745 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.654 9.645 -7.175 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.481 10.898 -9.225 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.119 10.757 -6.478 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 9.942 12.003 -8.535 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.257 11.925 -7.174 1.00 0.00 C ATOM 0 H TRP A 72 9.588 5.791 -9.398 1.00 0.00 H new ATOM 0 HA TRP A 72 9.025 6.927 -12.052 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.219 8.844 -10.873 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.491 7.412 -10.173 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.690 6.575 -7.739 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.571 8.028 -5.795 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.242 10.967 -10.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.361 10.699 -5.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.061 12.942 -9.055 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.617 12.806 -6.663 1.00 0.00 H new ATOM 1130 N GLU A 73 10.851 8.786 -12.009 1.00 0.00 N ATOM 1131 CA GLU A 73 12.066 9.573 -12.164 1.00 0.00 C ATOM 1132 C GLU A 73 11.718 11.021 -12.453 1.00 0.00 C ATOM 1133 O GLU A 73 10.644 11.318 -12.981 1.00 0.00 O ATOM 1134 CB GLU A 73 12.951 9.032 -13.289 1.00 0.00 C ATOM 1135 CG GLU A 73 13.970 8.008 -12.834 1.00 0.00 C ATOM 1136 CD GLU A 73 15.047 7.759 -13.869 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.840 8.689 -14.148 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.136 6.628 -14.383 1.00 0.00 O1- ATOM 0 H GLU A 73 10.073 9.098 -12.590 1.00 0.00 H new ATOM 0 HA GLU A 73 12.621 9.504 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.316 8.583 -14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.474 9.865 -13.759 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.433 8.348 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.462 7.070 -12.611 1.00 0.00 H new ATOM 1145 N TYR A 74 12.627 11.912 -12.089 1.00 0.00 N ATOM 1146 CA TYR A 74 12.486 13.326 -12.389 1.00 0.00 C ATOM 1147 C TYR A 74 12.838 13.603 -13.839 1.00 0.00 C ATOM 1148 O TYR A 74 13.342 12.730 -14.544 1.00 0.00 O ATOM 1149 CB TYR A 74 13.405 14.160 -11.497 1.00 0.00 C ATOM 1150 CG TYR A 74 12.872 14.406 -10.107 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.688 15.102 -9.918 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.559 13.960 -8.985 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.199 15.346 -8.648 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.077 14.198 -7.712 1.00 0.00 C ATOM 1155 CZ TYR A 74 11.897 14.892 -7.549 1.00 0.00 C ATOM 1156 OH TYR A 74 11.414 15.136 -6.281 1.00 0.00 O ATOM 0 H TYR A 74 13.479 11.676 -11.580 1.00 0.00 H new ATOM 0 HA TYR A 74 11.447 13.600 -12.205 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.369 13.657 -11.419 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.584 15.121 -11.979 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.139 15.459 -10.777 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.485 13.418 -9.110 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.275 15.889 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.622 13.842 -6.850 1.00 0.00 H new ATOM 0 HH TYR A 74 12.024 14.749 -5.619 1.00 0.00 H new ATOM 1166 N CYS A 75 12.582 14.824 -14.273 1.00 0.00 N ATOM 1167 CA CYS A 75 12.958 15.249 -15.615 1.00 0.00 C ATOM 1168 C CYS A 75 13.702 16.575 -15.565 1.00 0.00 C ATOM 1169 O CYS A 75 13.269 17.516 -14.898 1.00 0.00 O ATOM 1170 CB CYS A 75 11.728 15.392 -16.503 1.00 0.00 C ATOM 1171 SG CYS A 75 10.655 13.924 -16.554 1.00 0.00 S ATOM 0 H CYS A 75 12.115 15.541 -13.718 1.00 0.00 H new ATOM 0 HA CYS A 75 13.611 14.485 -16.036 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.142 16.242 -16.155 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.053 15.623 -17.517 1.00 0.00 H new ATOM 1176 N LYS A 76 14.812 16.657 -16.280 1.00 0.00 N ATOM 1177 CA LYS A 76 15.631 17.856 -16.269 1.00 0.00 C ATOM 1178 C LYS A 76 15.170 18.833 -17.346 1.00 0.00 C ATOM 1179 O LYS A 76 15.659 18.815 -18.477 1.00 0.00 O ATOM 1180 CB LYS A 76 17.109 17.493 -16.452 1.00 0.00 C ATOM 1181 CG LYS A 76 18.044 18.692 -16.457 1.00 0.00 C ATOM 1182 CD LYS A 76 19.500 18.261 -16.448 1.00 0.00 C ATOM 1183 CE LYS A 76 19.899 17.657 -15.110 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.858 18.659 -14.009 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.166 15.908 -16.875 1.00 0.00 H new ATOM 0 HA LYS A 76 15.517 18.346 -15.302 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.408 16.815 -15.652 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.226 16.950 -17.390 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.850 19.303 -17.339 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.842 19.316 -15.586 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.669 17.533 -17.241 1.00 0.00 H new ATOM 0 HD3 LYS A 76 20.135 19.120 -16.664 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.230 16.830 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.904 17.242 -15.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.384 18.295 -13.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 20.291 19.548 -14.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.870 18.835 -13.736 1.00 0.00 H new ATOM 1198 N ILE A 77 14.202 19.664 -16.994 1.00 0.00 N ATOM 1199 CA ILE A 77 13.734 20.715 -17.885 1.00 0.00 C ATOM 1200 C ILE A 77 14.639 21.941 -17.700 1.00 0.00 C ATOM 1201 O ILE A 77 15.168 22.139 -16.606 1.00 0.00 O ATOM 1202 CB ILE A 77 12.255 21.088 -17.574 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.391 19.830 -17.407 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.666 21.984 -18.654 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.463 18.852 -18.563 1.00 0.00 C ATOM 0 H ILE A 77 13.723 19.631 -16.094 1.00 0.00 H new ATOM 0 HA ILE A 77 13.777 20.365 -18.917 1.00 0.00 H new ATOM 0 HB ILE A 77 12.255 21.640 -16.634 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.695 19.316 -16.495 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.353 20.134 -17.271 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.633 22.224 -18.404 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.247 22.904 -18.720 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.696 21.466 -19.613 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.821 17.996 -18.356 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.129 19.343 -19.477 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.491 18.512 -18.689 1.00 0.00 H new ATOM 1217 N PRO A 78 14.871 22.761 -18.752 1.00 0.00 N ATOM 1218 CA PRO A 78 15.657 23.998 -18.629 1.00 0.00 C ATOM 1219 C PRO A 78 14.987 24.984 -17.680 1.00 0.00 C ATOM 1220 O PRO A 78 14.009 24.655 -17.038 1.00 0.00 O ATOM 1221 CB PRO A 78 15.679 24.560 -20.055 1.00 0.00 C ATOM 1222 CG PRO A 78 15.362 23.398 -20.924 1.00 0.00 C ATOM 1223 CD PRO A 78 14.404 22.565 -20.131 1.00 0.00 C ATOM 0 HA PRO A 78 16.653 23.819 -18.223 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.946 25.357 -20.178 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.654 24.983 -20.299 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.918 23.720 -21.866 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.262 22.835 -21.172 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.374 22.898 -20.261 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.440 21.516 -20.425 1.00 0.00 H new