USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 800 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 21 ASN : amide:sc= -2.47! C(o=-8.4!,f=-10!) USER MOD Set 1.2: B 52 ASN : amide:sc= -5.96! C(o=-8.4!,f=-14!) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.16 K(o=-7.3,f=-19!) USER MOD Set 2.2: B 26 GLN : amide:sc= -3.69! C(o=-7.3!,f=-8.7!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.43 K(o=-7.3,f=-8.3) USER MOD Set 3.1: A 28 ASN : amide:sc= -3.08! C(o=-3.7!,f=-7.9!) USER MOD Set 3.2: A 32 GLN : amide:sc= -0.621 K(o=-3.7,f=-6.1!) USER MOD Set 3.3: B 7 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.121) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.569 K(o=-1.5,f=-9.5!) USER MOD Set 4.2: A 55 GLN : amide:sc= -0.946 K(o=-1.5,f=-4.4!) USER MOD Set 5.1: A 14 TYR OH : rot -75:sc= -0.276 USER MOD Set 5.2: A 18 HIS :FLIP no HE2:sc= -24.1! C(o=-26!,f=-24!) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 174:sc= 0.00698 (180deg=0.0055) USER MOD Single : A 9 GLN : amide:sc= -2! C(o=-2!,f=-3.4!) USER MOD Single : A 10 GLN : amide:sc= -1.5 K(o=-1.5,f=-10!) USER MOD Single : A 11 ASN : amide:sc= -0.766 K(o=-0.77,f=-3.7) USER MOD Single : A 21 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.7) USER MOD Single : A 26 GLN : amide:sc= -0.9 K(o=-0.9,f=-3.5) USER MOD Single : A 33 SER OG : rot 29:sc= 0.72 USER MOD Single : A 35 LYS NZ :NH3+ -108:sc=-0.00685 (180deg=-1.55) USER MOD Single : A 39 SER OG : rot -40:sc= 1.31 USER MOD Single : A 40 GLN : amide:sc= -0.0402 X(o=-0.04,f=0) USER MOD Single : A 41 SER OG : rot -96:sc= 0.479 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.924 K(o=-0.92,f=-9.9!) USER MOD Single : B 6 ASN : amide:sc= -2.89! C(o=-2.9!,f=-7!) USER MOD Single : B 10 SER OG : rot -172:sc= 0.0889 USER MOD Single : B 18 THR OG1 : rot -47:sc= 0.562 USER MOD Single : B 27 LYS NZ :NH3+ -160:sc= 0.344 (180deg=0.168) USER MOD Single : B 28 LYS NZ :NH3+ -106:sc= 0.327 (180deg=-0.0478) USER MOD Single : B 33 SER OG : rot -22:sc= -0.0525 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.607 F(o=-1.2,f=-0.61) USER MOD Single : B 41 SER OG : rot -89:sc= 0.279 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.329 (180deg=-0.5) USER MOD Single : B 50 LYS NZ :NH3+ -148:sc= -0.264 (180deg=-0.438) USER MOD ----------------------------------------------------------------- ATOM 67 N PHE A 5 2.963 -14.320 6.640 1.00 0.00 N ATOM 68 CA PHE A 5 3.447 -13.469 5.502 1.00 0.00 C ATOM 69 C PHE A 5 2.305 -12.646 4.891 1.00 0.00 C ATOM 70 O PHE A 5 2.545 -11.567 4.401 1.00 0.00 O ATOM 71 CB PHE A 5 4.046 -14.425 4.453 1.00 0.00 C ATOM 72 CG PHE A 5 5.380 -15.012 4.916 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.027 -14.542 6.074 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.961 -16.047 4.175 1.00 0.00 C ATOM 75 CE1 PHE A 5 7.239 -15.104 6.478 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.174 -16.610 4.586 1.00 0.00 C ATOM 77 CZ PHE A 5 7.811 -16.138 5.736 1.00 0.00 C ATOM 0 HA PHE A 5 4.191 -12.754 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.342 -15.234 4.254 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.190 -13.890 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 5 5.584 -13.744 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.472 -16.412 3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.734 -14.738 7.365 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.618 -17.411 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.747 -16.574 6.051 1.00 0.00 H new ATOM 87 N ASN A 6 1.070 -13.138 4.916 1.00 0.00 N ATOM 88 CA ASN A 6 -0.072 -12.346 4.324 1.00 0.00 C ATOM 89 C ASN A 6 -0.139 -10.951 4.973 1.00 0.00 C ATOM 90 O ASN A 6 0.016 -9.956 4.291 1.00 0.00 O ATOM 91 CB ASN A 6 -1.352 -13.149 4.624 1.00 0.00 C ATOM 92 CG ASN A 6 -1.379 -14.433 3.782 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.361 -15.520 4.319 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.431 -14.352 2.477 1.00 0.00 N ATOM 0 H ASN A 6 0.811 -14.040 5.315 1.00 0.00 H new ATOM 0 HA ASN A 6 0.054 -12.197 3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -1.394 -13.399 5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.231 -12.543 4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.456 -15.202 1.914 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.446 -13.439 2.023 1.00 0.00 H new ATOM 101 N LYS A 7 -0.324 -10.879 6.286 1.00 0.00 N ATOM 102 CA LYS A 7 -0.359 -9.545 6.997 1.00 0.00 C ATOM 103 C LYS A 7 1.005 -8.845 6.923 1.00 0.00 C ATOM 104 O LYS A 7 1.064 -7.644 6.833 1.00 0.00 O ATOM 105 CB LYS A 7 -0.752 -9.851 8.443 1.00 0.00 C ATOM 106 CG LYS A 7 -0.773 -8.581 9.286 1.00 0.00 C ATOM 107 CD LYS A 7 -2.088 -7.878 9.027 1.00 0.00 C ATOM 108 CE LYS A 7 -2.291 -6.748 10.050 1.00 0.00 C ATOM 109 NZ LYS A 7 -3.743 -6.404 9.985 1.00 0.00 N ATOM 0 H LYS A 7 -0.452 -11.689 6.893 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.072 -8.864 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.735 -10.322 8.464 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.048 -10.564 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.670 -8.823 10.344 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.064 -7.934 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.099 -7.471 8.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.910 -8.591 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.009 -7.071 11.052 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.672 -5.884 9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.969 -5.712 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.962 -5.996 9.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.310 -7.264 10.128 1.00 0.00 H new ATOM 123 N GLU A 8 2.085 -9.597 6.935 1.00 0.00 N ATOM 124 CA GLU A 8 3.465 -8.996 6.826 1.00 0.00 C ATOM 125 C GLU A 8 3.589 -8.275 5.487 1.00 0.00 C ATOM 126 O GLU A 8 4.104 -7.178 5.415 1.00 0.00 O ATOM 127 CB GLU A 8 4.448 -10.176 6.870 1.00 0.00 C ATOM 128 CG GLU A 8 4.990 -10.358 8.285 1.00 0.00 C ATOM 129 CD GLU A 8 5.696 -11.716 8.401 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.801 -11.838 7.895 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.124 -12.609 8.999 1.00 0.00 O ATOM 0 H GLU A 8 2.072 -10.614 7.017 1.00 0.00 H new ATOM 0 HA GLU A 8 3.664 -8.282 7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.948 -11.088 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.271 -9.999 6.177 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.687 -9.554 8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.175 -10.299 9.007 1.00 0.00 H new ATOM 138 N GLN A 9 3.085 -8.890 4.435 1.00 0.00 N ATOM 139 CA GLN A 9 3.117 -8.264 3.094 1.00 0.00 C ATOM 140 C GLN A 9 2.219 -7.028 3.096 1.00 0.00 C ATOM 141 O GLN A 9 2.645 -6.001 2.663 1.00 0.00 O ATOM 142 CB GLN A 9 2.598 -9.299 2.103 1.00 0.00 C ATOM 143 CG GLN A 9 3.616 -10.416 1.878 1.00 0.00 C ATOM 144 CD GLN A 9 2.961 -11.501 1.017 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.341 -12.409 1.533 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.066 -11.443 -0.287 1.00 0.00 N ATOM 0 H GLN A 9 2.650 -9.812 4.464 1.00 0.00 H new ATOM 0 HA GLN A 9 4.125 -7.953 2.821 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.665 -9.724 2.474 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.372 -8.814 1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.505 -10.025 1.384 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.939 -10.833 2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.586 -10.682 -0.723 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.628 -12.159 -0.866 1.00 0.00 H new ATOM 155 N GLN A 10 1.000 -7.104 3.630 1.00 0.00 N ATOM 156 CA GLN A 10 0.136 -5.852 3.697 1.00 0.00 C ATOM 157 C GLN A 10 0.765 -4.852 4.665 1.00 0.00 C ATOM 158 O GLN A 10 0.693 -3.674 4.431 1.00 0.00 O ATOM 159 CB GLN A 10 -1.328 -6.139 4.105 1.00 0.00 C ATOM 160 CG GLN A 10 -1.584 -7.477 4.824 1.00 0.00 C ATOM 161 CD GLN A 10 -2.549 -8.368 4.018 1.00 0.00 C ATOM 162 OE1 GLN A 10 -2.952 -8.032 2.925 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.957 -9.497 4.532 1.00 0.00 N ATOM 0 H GLN A 10 0.577 -7.951 4.011 1.00 0.00 H new ATOM 0 HA GLN A 10 0.097 -5.436 2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.668 -5.331 4.753 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.946 -6.109 3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.639 -8.000 4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.001 -7.287 5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.624 -9.789 5.451 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.609 -10.087 4.015 1.00 0.00 H new ATOM 172 N ASN A 11 1.415 -5.307 5.722 1.00 0.00 N ATOM 173 CA ASN A 11 2.093 -4.350 6.659 1.00 0.00 C ATOM 174 C ASN A 11 3.213 -3.641 5.884 1.00 0.00 C ATOM 175 O ASN A 11 3.336 -2.432 5.922 1.00 0.00 O ATOM 176 CB ASN A 11 2.699 -5.203 7.793 1.00 0.00 C ATOM 177 CG ASN A 11 1.805 -5.163 9.035 1.00 0.00 C ATOM 178 OD1 ASN A 11 0.708 -5.674 9.029 1.00 0.00 O ATOM 179 ND2 ASN A 11 2.242 -4.583 10.118 1.00 0.00 N ATOM 0 H ASN A 11 1.502 -6.292 5.971 1.00 0.00 H new ATOM 0 HA ASN A 11 1.407 -3.605 7.062 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.817 -6.233 7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.693 -4.833 8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.660 -4.561 10.955 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.166 -4.151 10.128 1.00 0.00 H new ATOM 186 N ALA A 12 3.997 -4.412 5.150 1.00 0.00 N ATOM 187 CA ALA A 12 5.100 -3.844 4.310 1.00 0.00 C ATOM 188 C ALA A 12 4.505 -3.067 3.131 1.00 0.00 C ATOM 189 O ALA A 12 4.939 -1.977 2.830 1.00 0.00 O ATOM 190 CB ALA A 12 5.881 -5.056 3.800 1.00 0.00 C ATOM 0 H ALA A 12 3.912 -5.427 5.102 1.00 0.00 H new ATOM 0 HA ALA A 12 5.734 -3.157 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.708 -4.719 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.272 -5.619 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.220 -5.695 3.214 1.00 0.00 H new ATOM 196 N PHE A 13 3.491 -3.628 2.491 1.00 0.00 N ATOM 197 CA PHE A 13 2.793 -2.960 1.342 1.00 0.00 C ATOM 198 C PHE A 13 2.282 -1.609 1.824 1.00 0.00 C ATOM 199 O PHE A 13 2.627 -0.577 1.286 1.00 0.00 O ATOM 200 CB PHE A 13 1.601 -3.898 0.991 1.00 0.00 C ATOM 201 CG PHE A 13 0.648 -3.230 0.041 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.128 -2.650 -1.129 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.725 -3.229 0.309 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.246 -2.066 -2.021 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.609 -2.653 -0.593 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.124 -2.074 -1.755 1.00 0.00 C ATOM 0 H PHE A 13 3.114 -4.545 2.729 1.00 0.00 H new ATOM 0 HA PHE A 13 3.436 -2.798 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.978 -4.819 0.545 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.074 -4.178 1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.187 -2.656 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.098 -3.677 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.618 -1.604 -2.923 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.670 -2.656 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.810 -1.626 -2.459 1.00 0.00 H new ATOM 216 N TYR A 14 1.492 -1.643 2.870 1.00 0.00 N ATOM 217 CA TYR A 14 0.936 -0.410 3.480 1.00 0.00 C ATOM 218 C TYR A 14 2.065 0.568 3.809 1.00 0.00 C ATOM 219 O TYR A 14 2.040 1.699 3.385 1.00 0.00 O ATOM 220 CB TYR A 14 0.289 -0.891 4.764 1.00 0.00 C ATOM 221 CG TYR A 14 -0.395 0.250 5.436 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.669 0.622 5.025 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.238 0.930 6.483 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.313 1.649 5.646 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.415 1.981 7.115 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.698 2.346 6.702 1.00 0.00 C ATOM 227 OH TYR A 14 -2.360 3.393 7.323 1.00 0.00 O ATOM 0 H TYR A 14 1.205 -2.505 3.335 1.00 0.00 H new ATOM 0 HA TYR A 14 0.240 0.106 2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.429 -1.682 4.547 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.043 -1.317 5.426 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.149 0.097 4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.229 0.639 6.798 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.305 1.931 5.325 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.067 2.513 7.922 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.345 4.181 6.741 1.00 0.00 H new ATOM 237 N GLU A 15 3.069 0.124 4.543 1.00 0.00 N ATOM 238 CA GLU A 15 4.209 1.032 4.886 1.00 0.00 C ATOM 239 C GLU A 15 4.855 1.567 3.604 1.00 0.00 C ATOM 240 O GLU A 15 5.102 2.741 3.512 1.00 0.00 O ATOM 241 CB GLU A 15 5.191 0.192 5.696 1.00 0.00 C ATOM 242 CG GLU A 15 4.656 -0.015 7.122 1.00 0.00 C ATOM 243 CD GLU A 15 5.014 1.196 7.989 1.00 0.00 C ATOM 244 OE1 GLU A 15 6.147 1.262 8.445 1.00 0.00 O ATOM 245 OE2 GLU A 15 4.150 2.038 8.180 1.00 0.00 O ATOM 0 H GLU A 15 3.143 -0.823 4.915 1.00 0.00 H new ATOM 0 HA GLU A 15 3.883 1.899 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.342 -0.773 5.212 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.162 0.686 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.575 -0.151 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.082 -0.921 7.553 1.00 0.00 H new ATOM 252 N ILE A 16 5.066 0.732 2.596 1.00 0.00 N ATOM 253 CA ILE A 16 5.636 1.240 1.290 1.00 0.00 C ATOM 254 C ILE A 16 4.740 2.377 0.749 1.00 0.00 C ATOM 255 O ILE A 16 5.230 3.425 0.359 1.00 0.00 O ATOM 256 CB ILE A 16 5.671 0.002 0.361 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.008 -0.703 0.579 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.531 0.386 -1.123 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.827 -2.212 0.472 1.00 0.00 C ATOM 0 H ILE A 16 4.870 -0.269 2.621 1.00 0.00 H new ATOM 0 HA ILE A 16 6.634 1.667 1.383 1.00 0.00 H new ATOM 0 HB ILE A 16 4.830 -0.647 0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.733 -0.362 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.408 -0.445 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.561 -0.515 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.582 0.899 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.351 1.046 -1.407 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.786 -2.706 0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.118 -2.548 1.229 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.447 -2.464 -0.518 1.00 0.00 H new ATOM 271 N LEU A 17 3.434 2.179 0.762 1.00 0.00 N ATOM 272 CA LEU A 17 2.478 3.257 0.291 1.00 0.00 C ATOM 273 C LEU A 17 2.467 4.456 1.268 1.00 0.00 C ATOM 274 O LEU A 17 2.325 5.592 0.852 1.00 0.00 O ATOM 275 CB LEU A 17 1.079 2.615 0.257 1.00 0.00 C ATOM 276 CG LEU A 17 1.051 1.443 -0.728 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.362 0.249 -0.111 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.262 1.788 -1.966 1.00 0.00 C ATOM 0 H LEU A 17 2.986 1.319 1.078 1.00 0.00 H new ATOM 0 HA LEU A 17 2.781 3.632 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.808 2.267 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.338 3.359 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 17 2.089 1.223 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.351 -0.574 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.899 -0.057 0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.662 0.515 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.261 0.936 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.763 2.032 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.718 2.646 -2.461 1.00 0.00 H new ATOM 290 N HIS A 18 2.597 4.198 2.562 1.00 0.00 N ATOM 291 CA HIS A 18 2.577 5.300 3.592 1.00 0.00 C ATOM 292 C HIS A 18 3.991 5.882 3.871 1.00 0.00 C ATOM 293 O HIS A 18 4.111 6.827 4.633 1.00 0.00 O ATOM 294 CB HIS A 18 1.990 4.655 4.870 1.00 0.00 C ATOM 295 CG HIS A 18 0.500 4.414 4.703 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.210 3.383 4.143 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.462 5.331 5.114 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.550 3.666 4.180 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.664 4.816 4.777 1.00 0.00 N flip ATOM 0 H HIS A 18 2.717 3.261 2.948 1.00 0.00 H new ATOM 0 HA HIS A 18 1.984 6.144 3.240 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.497 3.712 5.075 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.166 5.305 5.727 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.199 2.532 3.756 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.282 6.274 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.352 3.056 3.791 1.00 0.00 H new ATOM 307 N LEU A 19 5.057 5.351 3.267 1.00 0.00 N ATOM 308 CA LEU A 19 6.436 5.915 3.519 1.00 0.00 C ATOM 309 C LEU A 19 6.504 7.333 2.911 1.00 0.00 C ATOM 310 O LEU A 19 6.181 7.513 1.748 1.00 0.00 O ATOM 311 CB LEU A 19 7.448 4.980 2.812 1.00 0.00 C ATOM 312 CG LEU A 19 7.914 3.833 3.744 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.783 2.858 2.936 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.740 4.380 4.923 1.00 0.00 C ATOM 0 H LEU A 19 5.024 4.563 2.621 1.00 0.00 H new ATOM 0 HA LEU A 19 6.661 5.977 4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.991 4.559 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.312 5.559 2.486 1.00 0.00 H new ATOM 0 HG LEU A 19 7.034 3.327 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.117 2.046 3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.200 2.449 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.650 3.386 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.054 3.554 5.561 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.619 4.899 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.132 5.075 5.502 1.00 0.00 H new ATOM 326 N PRO A 20 6.893 8.304 3.726 1.00 0.00 N ATOM 327 CA PRO A 20 6.963 9.728 3.265 1.00 0.00 C ATOM 328 C PRO A 20 8.000 9.990 2.146 1.00 0.00 C ATOM 329 O PRO A 20 7.956 11.044 1.534 1.00 0.00 O ATOM 330 CB PRO A 20 7.320 10.500 4.539 1.00 0.00 C ATOM 331 CG PRO A 20 7.983 9.496 5.418 1.00 0.00 C ATOM 332 CD PRO A 20 7.305 8.185 5.138 1.00 0.00 C ATOM 0 HA PRO A 20 6.022 10.033 2.807 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.985 11.336 4.322 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.430 10.915 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.050 9.436 5.205 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.882 9.770 6.468 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.981 7.343 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.449 8.028 5.794 1.00 0.00 H new ATOM 340 N ASN A 21 8.929 9.079 1.864 1.00 0.00 N ATOM 341 CA ASN A 21 9.930 9.356 0.777 1.00 0.00 C ATOM 342 C ASN A 21 9.902 8.293 -0.342 1.00 0.00 C ATOM 343 O ASN A 21 10.730 8.338 -1.239 1.00 0.00 O ATOM 344 CB ASN A 21 11.286 9.407 1.488 1.00 0.00 C ATOM 345 CG ASN A 21 11.398 10.715 2.281 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.389 11.785 1.707 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.497 10.677 3.583 1.00 0.00 N ATOM 0 H ASN A 21 9.029 8.179 2.333 1.00 0.00 H new ATOM 0 HA ASN A 21 9.706 10.290 0.263 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.390 8.553 2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.094 9.341 0.759 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.566 11.545 4.115 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.505 9.780 4.068 1.00 0.00 H new ATOM 354 N LEU A 22 8.938 7.377 -0.346 1.00 0.00 N ATOM 355 CA LEU A 22 8.864 6.383 -1.469 1.00 0.00 C ATOM 356 C LEU A 22 8.065 7.013 -2.612 1.00 0.00 C ATOM 357 O LEU A 22 7.051 7.659 -2.393 1.00 0.00 O ATOM 358 CB LEU A 22 8.146 5.118 -0.944 1.00 0.00 C ATOM 359 CG LEU A 22 9.119 4.127 -0.246 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.639 2.695 -0.487 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.544 4.235 -0.792 1.00 0.00 C ATOM 0 H LEU A 22 8.217 7.283 0.369 1.00 0.00 H new ATOM 0 HA LEU A 22 9.856 6.112 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.366 5.412 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.653 4.613 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 22 9.128 4.378 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.319 1.996 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.637 2.573 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.619 2.493 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.187 3.524 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.543 4.013 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.919 5.246 -0.633 1.00 0.00 H new ATOM 373 N ASN A 23 8.522 6.836 -3.826 1.00 0.00 N ATOM 374 CA ASN A 23 7.807 7.430 -5.011 1.00 0.00 C ATOM 375 C ASN A 23 7.111 6.342 -5.830 1.00 0.00 C ATOM 376 O ASN A 23 7.098 5.188 -5.458 1.00 0.00 O ATOM 377 CB ASN A 23 8.864 8.178 -5.857 1.00 0.00 C ATOM 378 CG ASN A 23 10.121 7.321 -6.088 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.118 6.437 -6.917 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.196 7.546 -5.381 1.00 0.00 N ATOM 0 H ASN A 23 9.362 6.305 -4.054 1.00 0.00 H new ATOM 0 HA ASN A 23 7.028 8.119 -4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.431 8.455 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.143 9.104 -5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.031 6.978 -5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.201 8.290 -4.683 1.00 0.00 H new ATOM 387 N GLU A 24 6.519 6.721 -6.941 1.00 0.00 N ATOM 388 CA GLU A 24 5.800 5.728 -7.808 1.00 0.00 C ATOM 389 C GLU A 24 6.762 4.639 -8.289 1.00 0.00 C ATOM 390 O GLU A 24 6.398 3.490 -8.332 1.00 0.00 O ATOM 391 CB GLU A 24 5.232 6.535 -8.991 1.00 0.00 C ATOM 392 CG GLU A 24 4.431 5.616 -9.939 1.00 0.00 C ATOM 393 CD GLU A 24 3.198 5.010 -9.235 1.00 0.00 C ATOM 394 OE1 GLU A 24 2.557 5.702 -8.452 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.903 3.858 -9.506 1.00 0.00 O ATOM 0 H GLU A 24 6.503 7.681 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 24 5.005 5.218 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.589 7.333 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.046 7.011 -9.538 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.110 6.184 -10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.075 4.814 -10.300 1.00 0.00 H new ATOM 402 N GLU A 25 7.987 4.986 -8.622 1.00 0.00 N ATOM 403 CA GLU A 25 8.963 3.941 -9.076 1.00 0.00 C ATOM 404 C GLU A 25 9.350 3.012 -7.908 1.00 0.00 C ATOM 405 O GLU A 25 9.378 1.806 -8.066 1.00 0.00 O ATOM 406 CB GLU A 25 10.186 4.714 -9.602 1.00 0.00 C ATOM 407 CG GLU A 25 11.225 3.736 -10.182 1.00 0.00 C ATOM 408 CD GLU A 25 10.629 2.964 -11.369 1.00 0.00 C ATOM 409 OE1 GLU A 25 10.471 3.558 -12.424 1.00 0.00 O ATOM 410 OE2 GLU A 25 10.344 1.789 -11.201 1.00 0.00 O ATOM 0 H GLU A 25 8.349 5.939 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 25 8.538 3.300 -9.849 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.875 5.423 -10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.633 5.294 -8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.110 4.285 -10.504 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.547 3.037 -9.410 1.00 0.00 H new ATOM 417 N GLN A 26 9.643 3.562 -6.741 1.00 0.00 N ATOM 418 CA GLN A 26 10.035 2.703 -5.566 1.00 0.00 C ATOM 419 C GLN A 26 8.827 1.978 -4.959 1.00 0.00 C ATOM 420 O GLN A 26 8.842 0.777 -4.836 1.00 0.00 O ATOM 421 CB GLN A 26 10.670 3.650 -4.534 1.00 0.00 C ATOM 422 CG GLN A 26 11.980 4.248 -5.080 1.00 0.00 C ATOM 423 CD GLN A 26 12.958 3.139 -5.514 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.066 2.112 -4.873 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.683 3.307 -6.582 1.00 0.00 N ATOM 0 H GLN A 26 9.627 4.565 -6.554 1.00 0.00 H new ATOM 0 HA GLN A 26 10.729 1.923 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.972 4.451 -4.290 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.869 3.108 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.761 4.897 -5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.446 4.869 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.599 4.166 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.335 2.580 -6.875 1.00 0.00 H new ATOM 434 N ARG A 27 7.794 2.697 -4.574 1.00 0.00 N ATOM 435 CA ARG A 27 6.583 2.052 -3.945 1.00 0.00 C ATOM 436 C ARG A 27 5.962 0.947 -4.849 1.00 0.00 C ATOM 437 O ARG A 27 5.683 -0.134 -4.375 1.00 0.00 O ATOM 438 CB ARG A 27 5.589 3.212 -3.756 1.00 0.00 C ATOM 439 CG ARG A 27 4.220 2.704 -3.283 1.00 0.00 C ATOM 440 CD ARG A 27 3.304 3.891 -2.953 1.00 0.00 C ATOM 441 NE ARG A 27 3.139 4.648 -4.240 1.00 0.00 N ATOM 442 CZ ARG A 27 3.845 5.740 -4.519 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.728 6.240 -3.671 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.654 6.347 -5.667 1.00 0.00 N ATOM 0 H ARG A 27 7.735 3.711 -4.668 1.00 0.00 H new ATOM 0 HA ARG A 27 6.841 1.550 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.987 3.920 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.474 3.751 -4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.765 2.087 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.342 2.072 -2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.341 3.549 -2.574 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.744 4.522 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 27 2.461 4.312 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.884 5.786 -2.771 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.253 7.079 -3.917 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.972 5.980 -6.331 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.188 7.186 -5.895 1.00 0.00 H new ATOM 458 N ASN A 28 5.746 1.209 -6.138 1.00 0.00 N ATOM 459 CA ASN A 28 5.135 0.157 -7.053 1.00 0.00 C ATOM 460 C ASN A 28 6.099 -1.007 -7.242 1.00 0.00 C ATOM 461 O ASN A 28 5.726 -2.145 -7.055 1.00 0.00 O ATOM 462 CB ASN A 28 4.863 0.875 -8.390 1.00 0.00 C ATOM 463 CG ASN A 28 5.076 -0.041 -9.614 1.00 0.00 C ATOM 464 OD1 ASN A 28 4.646 -1.178 -9.629 1.00 0.00 O ATOM 465 ND2 ASN A 28 5.732 0.414 -10.647 1.00 0.00 N ATOM 0 H ASN A 28 5.964 2.097 -6.591 1.00 0.00 H new ATOM 0 HA ASN A 28 4.219 -0.262 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.839 1.248 -8.395 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.519 1.742 -8.472 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.881 -0.184 -11.460 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.095 1.367 -10.641 1.00 0.00 H new ATOM 472 N ALA A 29 7.330 -0.722 -7.608 1.00 0.00 N ATOM 473 CA ALA A 29 8.342 -1.813 -7.802 1.00 0.00 C ATOM 474 C ALA A 29 8.459 -2.631 -6.509 1.00 0.00 C ATOM 475 O ALA A 29 8.639 -3.833 -6.542 1.00 0.00 O ATOM 476 CB ALA A 29 9.622 -1.073 -8.118 1.00 0.00 C ATOM 0 H ALA A 29 7.677 0.221 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 29 8.085 -2.520 -8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.427 -1.790 -8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.484 -0.476 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.879 -0.418 -7.285 1.00 0.00 H new ATOM 482 N PHE A 30 8.286 -1.976 -5.377 1.00 0.00 N ATOM 483 CA PHE A 30 8.295 -2.678 -4.059 1.00 0.00 C ATOM 484 C PHE A 30 7.076 -3.578 -3.975 1.00 0.00 C ATOM 485 O PHE A 30 7.173 -4.727 -3.627 1.00 0.00 O ATOM 486 CB PHE A 30 8.194 -1.569 -3.030 1.00 0.00 C ATOM 487 CG PHE A 30 9.574 -1.216 -2.586 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.610 -0.961 -3.507 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.822 -1.173 -1.243 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.889 -0.674 -3.038 1.00 0.00 C ATOM 491 CE2 PHE A 30 11.073 -0.878 -0.792 1.00 0.00 C ATOM 492 CZ PHE A 30 12.110 -0.632 -1.673 1.00 0.00 C ATOM 0 H PHE A 30 8.137 -0.969 -5.318 1.00 0.00 H new ATOM 0 HA PHE A 30 9.182 -3.294 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.698 -0.698 -3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.593 -1.893 -2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.413 -0.988 -4.569 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.027 -1.373 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.697 -0.487 -3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.258 -0.836 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 30 13.096 -0.406 -1.294 1.00 0.00 H new ATOM 502 N ILE A 31 5.936 -3.052 -4.353 1.00 0.00 N ATOM 503 CA ILE A 31 4.681 -3.858 -4.385 1.00 0.00 C ATOM 504 C ILE A 31 4.846 -4.992 -5.417 1.00 0.00 C ATOM 505 O ILE A 31 4.274 -6.036 -5.246 1.00 0.00 O ATOM 506 CB ILE A 31 3.587 -2.848 -4.743 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.420 -1.894 -3.557 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.288 -3.579 -4.988 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.740 -0.612 -4.008 1.00 0.00 C ATOM 0 H ILE A 31 5.823 -2.081 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 31 4.432 -4.353 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 31 3.858 -2.295 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.829 -2.373 -2.776 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.394 -1.665 -3.125 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.509 -2.861 -5.243 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.416 -4.283 -5.811 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.001 -4.122 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.627 0.059 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.347 -0.128 -4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.758 -0.846 -4.419 1.00 0.00 H new ATOM 521 N GLN A 32 5.678 -4.821 -6.449 1.00 0.00 N ATOM 522 CA GLN A 32 5.918 -5.947 -7.420 1.00 0.00 C ATOM 523 C GLN A 32 6.772 -7.029 -6.721 1.00 0.00 C ATOM 524 O GLN A 32 6.427 -8.196 -6.734 1.00 0.00 O ATOM 525 CB GLN A 32 6.656 -5.336 -8.625 1.00 0.00 C ATOM 526 CG GLN A 32 5.705 -4.407 -9.393 1.00 0.00 C ATOM 527 CD GLN A 32 6.398 -3.852 -10.642 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.994 -2.795 -10.602 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.339 -4.520 -11.762 1.00 0.00 N ATOM 0 H GLN A 32 6.188 -3.960 -6.648 1.00 0.00 H new ATOM 0 HA GLN A 32 4.993 -6.418 -7.753 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.529 -4.779 -8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.018 -6.127 -9.282 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.806 -4.952 -9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.389 -3.586 -8.749 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.839 -5.408 -11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.793 -4.154 -12.599 1.00 0.00 H new ATOM 538 N SER A 33 7.853 -6.630 -6.053 1.00 0.00 N ATOM 539 CA SER A 33 8.710 -7.611 -5.281 1.00 0.00 C ATOM 540 C SER A 33 7.936 -8.161 -4.061 1.00 0.00 C ATOM 541 O SER A 33 8.154 -9.278 -3.634 1.00 0.00 O ATOM 542 CB SER A 33 9.968 -6.836 -4.839 1.00 0.00 C ATOM 543 OG SER A 33 9.622 -5.546 -4.346 1.00 0.00 O ATOM 0 H SER A 33 8.175 -5.663 -6.012 1.00 0.00 H new ATOM 0 HA SER A 33 8.982 -8.471 -5.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.493 -7.397 -4.065 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.653 -6.736 -5.681 1.00 0.00 H new ATOM 0 HG SER A 33 8.718 -5.572 -3.969 1.00 0.00 H new ATOM 549 N LEU A 34 7.036 -7.369 -3.514 1.00 0.00 N ATOM 550 CA LEU A 34 6.216 -7.783 -2.331 1.00 0.00 C ATOM 551 C LEU A 34 5.040 -8.688 -2.768 1.00 0.00 C ATOM 552 O LEU A 34 4.779 -9.699 -2.142 1.00 0.00 O ATOM 553 CB LEU A 34 5.737 -6.436 -1.756 1.00 0.00 C ATOM 554 CG LEU A 34 5.002 -6.608 -0.427 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.982 -6.937 0.683 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.304 -5.302 -0.083 1.00 0.00 C ATOM 0 H LEU A 34 6.834 -6.428 -3.851 1.00 0.00 H new ATOM 0 HA LEU A 34 6.764 -8.375 -1.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.594 -5.778 -1.613 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.077 -5.949 -2.474 1.00 0.00 H new ATOM 0 HG LEU A 34 4.282 -7.421 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.442 -7.056 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.504 -7.864 0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.706 -6.128 0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.775 -5.411 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.044 -4.506 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.592 -5.052 -0.870 1.00 0.00 H new ATOM 568 N LYS A 35 4.339 -8.329 -3.840 1.00 0.00 N ATOM 569 CA LYS A 35 3.179 -9.164 -4.336 1.00 0.00 C ATOM 570 C LYS A 35 3.682 -10.537 -4.831 1.00 0.00 C ATOM 571 O LYS A 35 2.981 -11.527 -4.716 1.00 0.00 O ATOM 572 CB LYS A 35 2.488 -8.354 -5.479 1.00 0.00 C ATOM 573 CG LYS A 35 1.327 -7.517 -4.946 1.00 0.00 C ATOM 574 CD LYS A 35 0.340 -8.429 -4.198 1.00 0.00 C ATOM 575 CE LYS A 35 -1.093 -7.915 -4.359 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.936 -9.135 -4.578 1.00 0.00 N ATOM 0 H LYS A 35 4.525 -7.491 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 35 2.463 -9.363 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.219 -7.702 -5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.123 -9.040 -6.244 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.700 -6.741 -4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.821 -7.012 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.413 -9.446 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.602 -8.468 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.416 -7.369 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.171 -7.228 -5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.248 -9.168 -5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.378 -9.986 -4.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.768 -9.099 -3.955 1.00 0.00 H new ATOM 590 N ASP A 36 4.894 -10.602 -5.361 1.00 0.00 N ATOM 591 CA ASP A 36 5.457 -11.909 -5.845 1.00 0.00 C ATOM 592 C ASP A 36 6.256 -12.636 -4.735 1.00 0.00 C ATOM 593 O ASP A 36 6.280 -13.855 -4.705 1.00 0.00 O ATOM 594 CB ASP A 36 6.368 -11.548 -7.027 1.00 0.00 C ATOM 595 CG ASP A 36 5.516 -11.260 -8.272 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.116 -10.120 -8.449 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.274 -12.189 -9.026 1.00 0.00 O ATOM 0 H ASP A 36 5.515 -9.801 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 36 4.662 -12.596 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.972 -10.675 -6.779 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.058 -12.367 -7.229 1.00 0.00 H new ATOM 602 N ASP A 37 6.909 -11.909 -3.831 1.00 0.00 N ATOM 603 CA ASP A 37 7.703 -12.580 -2.739 1.00 0.00 C ATOM 604 C ASP A 37 7.133 -12.244 -1.341 1.00 0.00 C ATOM 605 O ASP A 37 7.368 -11.164 -0.821 1.00 0.00 O ATOM 606 CB ASP A 37 9.142 -12.053 -2.876 1.00 0.00 C ATOM 607 CG ASP A 37 10.130 -13.090 -2.319 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.056 -13.384 -1.133 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.944 -13.571 -3.087 1.00 0.00 O ATOM 0 H ASP A 37 6.922 -10.889 -3.808 1.00 0.00 H new ATOM 0 HA ASP A 37 7.660 -13.665 -2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.366 -11.849 -3.923 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.247 -11.111 -2.338 1.00 0.00 H new ATOM 614 N PRO A 38 6.403 -13.196 -0.769 1.00 0.00 N ATOM 615 CA PRO A 38 5.807 -13.006 0.589 1.00 0.00 C ATOM 616 C PRO A 38 6.883 -12.989 1.698 1.00 0.00 C ATOM 617 O PRO A 38 6.785 -12.221 2.638 1.00 0.00 O ATOM 618 CB PRO A 38 4.890 -14.222 0.742 1.00 0.00 C ATOM 619 CG PRO A 38 5.471 -15.257 -0.158 1.00 0.00 C ATOM 620 CD PRO A 38 6.055 -14.517 -1.326 1.00 0.00 C ATOM 0 HA PRO A 38 5.288 -12.052 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.862 -14.568 1.775 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.865 -13.982 0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.237 -15.836 0.358 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.706 -15.961 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.932 -15.027 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.339 -14.430 -2.143 1.00 0.00 H new ATOM 628 N SER A 39 7.893 -13.838 1.599 1.00 0.00 N ATOM 629 CA SER A 39 8.979 -13.893 2.648 1.00 0.00 C ATOM 630 C SER A 39 9.812 -12.601 2.684 1.00 0.00 C ATOM 631 O SER A 39 10.247 -12.181 3.743 1.00 0.00 O ATOM 632 CB SER A 39 9.871 -15.081 2.260 1.00 0.00 C ATOM 633 OG SER A 39 9.092 -16.271 2.205 1.00 0.00 O ATOM 0 H SER A 39 8.011 -14.499 0.831 1.00 0.00 H new ATOM 0 HA SER A 39 8.545 -14.004 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.338 -14.896 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.676 -15.196 2.986 1.00 0.00 H new ATOM 0 HG SER A 39 8.452 -16.277 2.947 1.00 0.00 H new ATOM 639 N GLN A 40 10.041 -11.968 1.546 1.00 0.00 N ATOM 640 CA GLN A 40 10.853 -10.704 1.528 1.00 0.00 C ATOM 641 C GLN A 40 10.013 -9.476 1.931 1.00 0.00 C ATOM 642 O GLN A 40 10.522 -8.383 1.920 1.00 0.00 O ATOM 643 CB GLN A 40 11.336 -10.542 0.076 1.00 0.00 C ATOM 644 CG GLN A 40 12.681 -9.808 0.058 1.00 0.00 C ATOM 645 CD GLN A 40 12.968 -9.279 -1.352 1.00 0.00 C ATOM 646 OE1 GLN A 40 13.017 -10.035 -2.302 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.165 -8.000 -1.528 1.00 0.00 N ATOM 0 H GLN A 40 9.700 -12.274 0.635 1.00 0.00 H new ATOM 0 HA GLN A 40 11.674 -10.769 2.242 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.438 -11.520 -0.395 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.599 -9.985 -0.503 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.664 -8.982 0.769 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.478 -10.483 0.372 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.124 -7.363 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.359 -7.638 -2.461 1.00 0.00 H new ATOM 656 N SER A 41 8.734 -9.632 2.254 1.00 0.00 N ATOM 657 CA SER A 41 7.883 -8.438 2.605 1.00 0.00 C ATOM 658 C SER A 41 8.479 -7.587 3.737 1.00 0.00 C ATOM 659 O SER A 41 8.567 -6.382 3.588 1.00 0.00 O ATOM 660 CB SER A 41 6.510 -8.995 3.005 1.00 0.00 C ATOM 661 OG SER A 41 6.629 -9.811 4.168 1.00 0.00 O ATOM 0 H SER A 41 8.251 -10.530 2.288 1.00 0.00 H new ATOM 0 HA SER A 41 7.818 -7.766 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.819 -8.175 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.093 -9.578 2.184 1.00 0.00 H new ATOM 0 HG SER A 41 6.701 -10.751 3.902 1.00 0.00 H new ATOM 667 N ALA A 42 8.912 -8.169 4.841 1.00 0.00 N ATOM 668 CA ALA A 42 9.528 -7.314 5.921 1.00 0.00 C ATOM 669 C ALA A 42 10.778 -6.629 5.370 1.00 0.00 C ATOM 670 O ALA A 42 10.947 -5.439 5.523 1.00 0.00 O ATOM 671 CB ALA A 42 9.943 -8.247 7.028 1.00 0.00 C ATOM 0 H ALA A 42 8.868 -9.169 5.038 1.00 0.00 H new ATOM 0 HA ALA A 42 8.825 -6.558 6.271 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.396 -7.673 7.837 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.068 -8.776 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.666 -8.967 6.645 1.00 0.00 H new ATOM 677 N ASN A 43 11.630 -7.386 4.688 1.00 0.00 N ATOM 678 CA ASN A 43 12.856 -6.799 4.052 1.00 0.00 C ATOM 679 C ASN A 43 12.432 -5.700 3.094 1.00 0.00 C ATOM 680 O ASN A 43 13.097 -4.707 2.973 1.00 0.00 O ATOM 681 CB ASN A 43 13.498 -7.910 3.234 1.00 0.00 C ATOM 682 CG ASN A 43 14.773 -8.415 3.921 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.818 -8.480 3.305 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.737 -8.780 5.177 1.00 0.00 N ATOM 0 H ASN A 43 11.519 -8.390 4.549 1.00 0.00 H new ATOM 0 HA ASN A 43 13.536 -6.398 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.794 -8.733 3.111 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.737 -7.543 2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.584 -9.117 5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.862 -8.727 5.699 1.00 0.00 H new ATOM 691 N LEU A 44 11.311 -5.897 2.421 1.00 0.00 N ATOM 692 CA LEU A 44 10.790 -4.879 1.469 1.00 0.00 C ATOM 693 C LEU A 44 10.391 -3.644 2.211 1.00 0.00 C ATOM 694 O LEU A 44 10.727 -2.560 1.800 1.00 0.00 O ATOM 695 CB LEU A 44 9.603 -5.511 0.778 1.00 0.00 C ATOM 696 CG LEU A 44 10.149 -6.438 -0.278 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.005 -7.228 -0.872 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.863 -5.587 -1.324 1.00 0.00 C ATOM 0 H LEU A 44 10.736 -6.736 2.501 1.00 0.00 H new ATOM 0 HA LEU A 44 11.544 -4.582 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.988 -6.059 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.967 -4.748 0.330 1.00 0.00 H new ATOM 0 HG LEU A 44 10.862 -7.150 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.388 -7.903 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.518 -7.808 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.284 -6.544 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.269 -6.233 -2.103 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.156 -4.885 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.675 -5.034 -0.851 1.00 0.00 H new ATOM 710 N LEU A 45 9.734 -3.783 3.334 1.00 0.00 N ATOM 711 CA LEU A 45 9.421 -2.559 4.107 1.00 0.00 C ATOM 712 C LEU A 45 10.742 -1.996 4.638 1.00 0.00 C ATOM 713 O LEU A 45 10.970 -0.821 4.555 1.00 0.00 O ATOM 714 CB LEU A 45 8.492 -2.959 5.230 1.00 0.00 C ATOM 715 CG LEU A 45 8.405 -1.816 6.244 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.116 -0.481 5.522 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.299 -2.141 7.234 1.00 0.00 C ATOM 0 H LEU A 45 9.412 -4.664 3.734 1.00 0.00 H new ATOM 0 HA LEU A 45 8.934 -1.792 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.502 -3.187 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.857 -3.864 5.715 1.00 0.00 H new ATOM 0 HG LEU A 45 9.352 -1.709 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.057 0.324 6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.918 -0.269 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.170 -0.554 4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.219 -1.338 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.353 -2.242 6.702 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.530 -3.076 7.744 1.00 0.00 H new ATOM 729 N ALA A 46 11.623 -2.836 5.147 1.00 0.00 N ATOM 730 CA ALA A 46 12.958 -2.342 5.638 1.00 0.00 C ATOM 731 C ALA A 46 13.688 -1.605 4.522 1.00 0.00 C ATOM 732 O ALA A 46 14.193 -0.533 4.744 1.00 0.00 O ATOM 733 CB ALA A 46 13.758 -3.588 5.965 1.00 0.00 C ATOM 0 H ALA A 46 11.475 -3.841 5.243 1.00 0.00 H new ATOM 0 HA ALA A 46 12.837 -1.670 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.745 -3.302 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.240 -4.162 6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.866 -4.197 5.068 1.00 0.00 H new ATOM 739 N GLU A 47 13.725 -2.164 3.321 1.00 0.00 N ATOM 740 CA GLU A 47 14.398 -1.466 2.187 1.00 0.00 C ATOM 741 C GLU A 47 13.562 -0.239 1.810 1.00 0.00 C ATOM 742 O GLU A 47 14.112 0.777 1.459 1.00 0.00 O ATOM 743 CB GLU A 47 14.571 -2.463 1.028 1.00 0.00 C ATOM 744 CG GLU A 47 13.254 -2.971 0.510 1.00 0.00 C ATOM 745 CD GLU A 47 13.511 -4.000 -0.592 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.884 -5.115 -0.257 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.335 -3.656 -1.749 1.00 0.00 O ATOM 0 H GLU A 47 13.317 -3.070 3.090 1.00 0.00 H new ATOM 0 HA GLU A 47 15.393 -1.112 2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.117 -1.982 0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.176 -3.305 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.681 -3.423 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.659 -2.145 0.121 1.00 0.00 H new ATOM 754 N ALA A 48 12.238 -0.308 1.917 1.00 0.00 N ATOM 755 CA ALA A 48 11.398 0.894 1.626 1.00 0.00 C ATOM 756 C ALA A 48 11.677 1.961 2.692 1.00 0.00 C ATOM 757 O ALA A 48 11.776 3.134 2.389 1.00 0.00 O ATOM 758 CB ALA A 48 9.959 0.391 1.730 1.00 0.00 C ATOM 0 H ALA A 48 11.720 -1.143 2.192 1.00 0.00 H new ATOM 0 HA ALA A 48 11.599 1.339 0.652 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.271 1.212 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.798 -0.403 1.001 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.780 0.004 2.733 1.00 0.00 H new ATOM 764 N LYS A 49 11.855 1.537 3.934 1.00 0.00 N ATOM 765 CA LYS A 49 12.185 2.474 5.042 1.00 0.00 C ATOM 766 C LYS A 49 13.642 2.926 4.870 1.00 0.00 C ATOM 767 O LYS A 49 13.991 4.068 5.105 1.00 0.00 O ATOM 768 CB LYS A 49 11.943 1.648 6.304 1.00 0.00 C ATOM 769 CG LYS A 49 10.522 1.958 6.769 1.00 0.00 C ATOM 770 CD LYS A 49 9.950 0.765 7.506 1.00 0.00 C ATOM 771 CE LYS A 49 10.402 0.827 8.952 1.00 0.00 C ATOM 772 NZ LYS A 49 9.525 -0.135 9.690 1.00 0.00 N ATOM 0 H LYS A 49 11.781 0.560 4.217 1.00 0.00 H new ATOM 0 HA LYS A 49 11.592 3.388 5.074 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.059 0.584 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.667 1.903 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.526 2.832 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.895 2.202 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.861 0.772 7.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.287 -0.163 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.452 0.551 9.046 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.300 1.836 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.786 -0.140 10.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.531 0.155 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.648 -1.089 9.296 1.00 0.00 H new ATOM 786 N LYS A 50 14.460 2.024 4.366 1.00 0.00 N ATOM 787 CA LYS A 50 15.886 2.326 4.033 1.00 0.00 C ATOM 788 C LYS A 50 15.873 3.372 2.898 1.00 0.00 C ATOM 789 O LYS A 50 16.640 4.317 2.906 1.00 0.00 O ATOM 790 CB LYS A 50 16.426 0.954 3.576 1.00 0.00 C ATOM 791 CG LYS A 50 17.665 1.063 2.681 1.00 0.00 C ATOM 792 CD LYS A 50 17.680 -0.142 1.724 1.00 0.00 C ATOM 793 CE LYS A 50 18.093 -1.411 2.488 1.00 0.00 C ATOM 794 NZ LYS A 50 18.223 -2.478 1.450 1.00 0.00 N ATOM 0 H LYS A 50 14.183 1.062 4.168 1.00 0.00 H new ATOM 0 HA LYS A 50 16.495 2.737 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.671 0.356 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.642 0.423 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.644 1.995 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.571 1.077 3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.693 -0.278 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.375 0.042 0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.034 -1.262 3.017 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.346 -1.680 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.503 -3.371 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.311 -2.606 0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.946 -2.201 0.756 1.00 0.00 H new ATOM 808 N LEU A 51 14.945 3.218 1.959 1.00 0.00 N ATOM 809 CA LEU A 51 14.786 4.201 0.838 1.00 0.00 C ATOM 810 C LEU A 51 14.210 5.502 1.391 1.00 0.00 C ATOM 811 O LEU A 51 14.533 6.570 0.930 1.00 0.00 O ATOM 812 CB LEU A 51 13.756 3.577 -0.117 1.00 0.00 C ATOM 813 CG LEU A 51 14.415 2.954 -1.352 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.742 2.280 -1.001 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.464 1.920 -1.921 1.00 0.00 C ATOM 0 H LEU A 51 14.288 2.439 1.931 1.00 0.00 H new ATOM 0 HA LEU A 51 15.735 4.412 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.187 2.813 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.046 4.341 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 51 14.623 3.741 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.181 1.849 -1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.425 3.018 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.567 1.491 -0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.911 1.461 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.270 1.153 -1.172 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.526 2.402 -2.198 1.00 0.00 H new ATOM 827 N ASN A 52 13.341 5.395 2.374 1.00 0.00 N ATOM 828 CA ASN A 52 12.707 6.594 2.986 1.00 0.00 C ATOM 829 C ASN A 52 13.787 7.548 3.530 1.00 0.00 C ATOM 830 O ASN A 52 13.707 8.742 3.339 1.00 0.00 O ATOM 831 CB ASN A 52 11.836 6.045 4.118 1.00 0.00 C ATOM 832 CG ASN A 52 10.907 7.140 4.628 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.960 7.498 3.968 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.155 7.693 5.781 1.00 0.00 N ATOM 0 H ASN A 52 13.045 4.507 2.779 1.00 0.00 H new ATOM 0 HA ASN A 52 12.120 7.168 2.269 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.252 5.196 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.465 5.681 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.548 8.434 6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.956 7.385 6.332 1.00 0.00 H new ATOM 841 N ASP A 53 14.802 7.007 4.181 1.00 0.00 N ATOM 842 CA ASP A 53 15.918 7.860 4.723 1.00 0.00 C ATOM 843 C ASP A 53 16.939 8.191 3.617 1.00 0.00 C ATOM 844 O ASP A 53 17.415 9.309 3.529 1.00 0.00 O ATOM 845 CB ASP A 53 16.569 7.019 5.823 1.00 0.00 C ATOM 846 CG ASP A 53 17.606 7.856 6.580 1.00 0.00 C ATOM 847 OD1 ASP A 53 17.215 8.576 7.485 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.775 7.761 6.243 1.00 0.00 O ATOM 0 H ASP A 53 14.903 6.008 4.359 1.00 0.00 H new ATOM 0 HA ASP A 53 15.551 8.814 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.808 6.657 6.514 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.046 6.142 5.387 1.00 0.00 H new ATOM 853 N ALA A 54 17.270 7.226 2.771 1.00 0.00 N ATOM 854 CA ALA A 54 18.252 7.476 1.656 1.00 0.00 C ATOM 855 C ALA A 54 17.678 8.509 0.669 1.00 0.00 C ATOM 856 O ALA A 54 18.370 9.416 0.238 1.00 0.00 O ATOM 857 CB ALA A 54 18.444 6.119 0.971 1.00 0.00 C ATOM 0 H ALA A 54 16.899 6.276 2.809 1.00 0.00 H new ATOM 0 HA ALA A 54 19.197 7.876 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.149 6.224 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.833 5.400 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.487 5.766 0.587 1.00 0.00 H new ATOM 863 N GLN A 55 16.403 8.389 0.344 1.00 0.00 N ATOM 864 CA GLN A 55 15.733 9.367 -0.576 1.00 0.00 C ATOM 865 C GLN A 55 15.126 10.548 0.230 1.00 0.00 C ATOM 866 O GLN A 55 14.471 11.406 -0.339 1.00 0.00 O ATOM 867 CB GLN A 55 14.607 8.587 -1.271 1.00 0.00 C ATOM 868 CG GLN A 55 15.170 7.379 -2.047 1.00 0.00 C ATOM 869 CD GLN A 55 14.025 6.683 -2.785 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.088 6.490 -3.983 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.970 6.301 -2.116 1.00 0.00 N ATOM 0 H GLN A 55 15.795 7.644 0.684 1.00 0.00 H new ATOM 0 HA GLN A 55 16.443 9.786 -1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.886 8.243 -0.529 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.072 9.246 -1.955 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.930 7.708 -2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.654 6.683 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.918 6.463 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.199 5.841 -2.599 1.00 0.00 H new ATOM 880 N ALA A 56 15.328 10.593 1.546 1.00 0.00 N ATOM 881 CA ALA A 56 14.753 11.703 2.383 1.00 0.00 C ATOM 882 C ALA A 56 15.436 13.041 2.094 1.00 0.00 C ATOM 883 O ALA A 56 16.593 13.080 1.709 1.00 0.00 O ATOM 884 CB ALA A 56 15.005 11.327 3.847 1.00 0.00 C ATOM 0 H ALA A 56 15.869 9.903 2.067 1.00 0.00 H new ATOM 0 HA ALA A 56 13.693 11.819 2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.604 12.105 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.514 10.380 4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.077 11.228 4.018 1.00 0.00 H new ATOM 1014 N ASN B 6 0.193 -5.185 -9.011 1.00 0.00 N ATOM 1015 CA ASN B 6 1.276 -4.541 -8.193 1.00 0.00 C ATOM 1016 C ASN B 6 1.483 -3.057 -8.542 1.00 0.00 C ATOM 1017 O ASN B 6 1.597 -2.224 -7.660 1.00 0.00 O ATOM 1018 CB ASN B 6 2.550 -5.369 -8.460 1.00 0.00 C ATOM 1019 CG ASN B 6 2.636 -5.854 -9.924 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.849 -5.073 -10.828 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.471 -7.123 -10.191 1.00 0.00 N ATOM 0 HA ASN B 6 1.008 -4.540 -7.136 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.428 -4.767 -8.227 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.568 -6.230 -7.792 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.522 -7.452 -11.155 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.292 -7.784 -9.435 1.00 0.00 H new ATOM 1028 N LYS B 7 1.498 -2.717 -9.805 1.00 0.00 N ATOM 1029 CA LYS B 7 1.658 -1.271 -10.212 1.00 0.00 C ATOM 1030 C LYS B 7 0.430 -0.500 -9.778 1.00 0.00 C ATOM 1031 O LYS B 7 0.509 0.610 -9.279 1.00 0.00 O ATOM 1032 CB LYS B 7 1.763 -1.280 -11.742 1.00 0.00 C ATOM 1033 CG LYS B 7 3.060 -1.974 -12.182 1.00 0.00 C ATOM 1034 CD LYS B 7 3.214 -1.876 -13.702 1.00 0.00 C ATOM 1035 CE LYS B 7 4.428 -2.707 -14.155 1.00 0.00 C ATOM 1036 NZ LYS B 7 5.639 -1.911 -13.780 1.00 0.00 N ATOM 0 H LYS B 7 1.407 -3.373 -10.580 1.00 0.00 H new ATOM 0 HA LYS B 7 2.532 -0.804 -9.758 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.903 -1.796 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS B 7 1.742 -0.258 -12.121 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.915 -1.511 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.045 -3.020 -11.876 1.00 0.00 H new ATOM 0 HD2 LYS B 7 2.310 -2.237 -14.193 1.00 0.00 H new ATOM 0 HD3 LYS B 7 3.343 -0.835 -13.998 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.436 -3.682 -13.668 1.00 0.00 H new ATOM 0 HE3 LYS B 7 4.398 -2.888 -15.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 6.479 -2.320 -14.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 5.518 -0.927 -14.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 5.763 -1.933 -12.748 1.00 0.00 H new ATOM 1050 N GLU B 8 -0.697 -1.124 -9.945 1.00 0.00 N ATOM 1051 CA GLU B 8 -1.990 -0.522 -9.536 1.00 0.00 C ATOM 1052 C GLU B 8 -2.050 -0.343 -8.018 1.00 0.00 C ATOM 1053 O GLU B 8 -2.662 0.585 -7.563 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.078 -1.475 -10.057 1.00 0.00 C ATOM 1055 CG GLU B 8 -2.824 -2.912 -9.590 1.00 0.00 C ATOM 1056 CD GLU B 8 -2.548 -3.790 -10.818 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -3.495 -4.287 -11.398 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -1.385 -3.932 -11.168 1.00 0.00 O ATOM 0 H GLU B 8 -0.777 -2.052 -10.360 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.127 0.477 -9.951 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.055 -1.143 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.103 -1.443 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -1.976 -2.942 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.688 -3.289 -9.043 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.391 -1.180 -7.232 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.418 -0.956 -5.740 1.00 0.00 C ATOM 1067 C LEU B 9 -0.656 0.318 -5.388 1.00 0.00 C ATOM 1068 O LEU B 9 -1.009 0.997 -4.450 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.736 -2.112 -5.009 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.357 -3.474 -5.326 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.415 -4.585 -4.791 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.727 -3.562 -4.618 1.00 0.00 C ATOM 0 H LEU B 9 -0.851 -1.985 -7.549 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.462 -0.880 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.320 -2.130 -5.277 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.790 -1.936 -3.935 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.491 -3.599 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.845 -5.563 -5.010 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.559 -4.500 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.296 -4.474 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.186 -4.527 -4.832 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.588 -3.457 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.375 -2.764 -4.979 1.00 0.00 H new ATOM 1084 N SER B 10 0.380 0.651 -6.136 1.00 0.00 N ATOM 1085 CA SER B 10 1.145 1.903 -5.831 1.00 0.00 C ATOM 1086 C SER B 10 0.208 3.117 -5.981 1.00 0.00 C ATOM 1087 O SER B 10 0.209 4.015 -5.155 1.00 0.00 O ATOM 1088 CB SER B 10 2.284 1.929 -6.849 1.00 0.00 C ATOM 1089 OG SER B 10 3.107 3.066 -6.618 1.00 0.00 O ATOM 0 H SER B 10 0.721 0.114 -6.933 1.00 0.00 H new ATOM 0 HA SER B 10 1.537 1.935 -4.814 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.876 1.017 -6.770 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.880 1.960 -7.861 1.00 0.00 H new ATOM 0 HG SER B 10 3.759 3.151 -7.345 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.613 3.114 -7.016 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.584 4.239 -7.250 1.00 0.00 C ATOM 1097 C VAL B 11 -2.882 3.997 -6.445 1.00 0.00 C ATOM 1098 O VAL B 11 -3.286 4.829 -5.657 1.00 0.00 O ATOM 1099 CB VAL B 11 -1.868 4.229 -8.770 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -2.641 5.492 -9.160 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -0.545 4.177 -9.558 1.00 0.00 C ATOM 0 H VAL B 11 -0.650 2.371 -7.714 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.185 5.200 -6.926 1.00 0.00 H new ATOM 0 HB VAL B 11 -2.462 3.347 -9.010 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -2.839 5.481 -10.232 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -3.585 5.523 -8.617 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.049 6.373 -8.909 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -0.758 4.170 -10.627 1.00 0.00 H new ATOM 0 HG22 VAL B 11 0.059 5.051 -9.314 1.00 0.00 H new ATOM 0 HG23 VAL B 11 0.002 3.273 -9.292 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.519 2.852 -6.639 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.791 2.507 -5.899 1.00 0.00 C ATOM 1113 C ALA B 12 -4.559 2.509 -4.389 1.00 0.00 C ATOM 1114 O ALA B 12 -5.315 3.095 -3.634 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.176 1.083 -6.371 1.00 0.00 C ATOM 0 H ALA B 12 -3.205 2.132 -7.289 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.576 3.234 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.093 0.770 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.333 1.087 -7.450 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.373 0.388 -6.124 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.513 1.857 -3.968 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.173 1.759 -2.526 1.00 0.00 C ATOM 1123 C GLY B 13 -2.790 3.107 -1.945 1.00 0.00 C ATOM 1124 O GLY B 13 -3.306 3.480 -0.912 1.00 0.00 O ATOM 0 H GLY B 13 -2.861 1.374 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -4.025 1.356 -1.978 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.348 1.059 -2.394 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.873 3.831 -2.567 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.465 5.142 -1.963 1.00 0.00 C ATOM 1130 C ARG B 14 -2.606 6.179 -1.958 1.00 0.00 C ATOM 1131 O ARG B 14 -2.701 6.968 -1.034 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.263 5.664 -2.714 1.00 0.00 C ATOM 1133 CG ARG B 14 0.269 6.875 -1.935 1.00 0.00 C ATOM 1134 CD ARG B 14 1.693 7.179 -2.357 1.00 0.00 C ATOM 1135 NE ARG B 14 1.588 7.463 -3.816 1.00 0.00 N ATOM 1136 CZ ARG B 14 1.672 8.688 -4.265 1.00 0.00 C ATOM 1137 NH1 ARG B 14 0.582 9.334 -4.606 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.844 9.270 -4.371 1.00 0.00 N ATOM 0 H ARG B 14 -1.406 3.577 -3.438 1.00 0.00 H new ATOM 0 HA ARG B 14 -1.213 4.974 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.503 4.893 -2.797 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.538 5.950 -3.729 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -0.366 7.742 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.234 6.673 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG B 14 2.096 8.033 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.355 6.335 -2.162 1.00 0.00 H new ATOM 0 HE ARG B 14 1.449 6.694 -4.471 1.00 0.00 H new ATOM 0 HH11 ARG B 14 -0.328 8.880 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG B 14 0.644 10.290 -4.957 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.690 8.766 -4.103 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.909 10.226 -4.721 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.488 6.184 -2.941 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.631 7.166 -2.887 1.00 0.00 C ATOM 1154 C GLU B 15 -5.493 6.808 -1.657 1.00 0.00 C ATOM 1155 O GLU B 15 -5.905 7.672 -0.908 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.408 7.012 -4.197 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.603 7.599 -5.372 1.00 0.00 C ATOM 1158 CD GLU B 15 -4.282 9.081 -5.122 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.215 9.864 -4.998 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -3.108 9.410 -5.069 1.00 0.00 O ATOM 0 H GLU B 15 -3.469 5.570 -3.755 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.307 8.202 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.617 5.958 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.370 7.518 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -3.678 7.038 -5.502 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -5.171 7.495 -6.297 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.671 5.516 -1.411 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.400 5.029 -0.187 1.00 0.00 C ATOM 1169 C ILE B 16 -5.526 5.324 1.075 1.00 0.00 C ATOM 1170 O ILE B 16 -6.037 5.517 2.162 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.582 3.511 -0.421 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.510 3.287 -1.630 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.204 2.855 0.811 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.418 1.840 -2.119 1.00 0.00 C ATOM 0 H ILE B 16 -5.334 4.771 -2.021 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.361 5.516 -0.024 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.605 3.066 -0.610 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.539 3.518 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.236 3.967 -2.436 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.326 1.787 0.632 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.553 3.006 1.672 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.178 3.303 1.009 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.081 1.702 -2.973 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.392 1.621 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.715 1.165 -1.316 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.212 5.374 0.898 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.243 5.678 2.018 1.00 0.00 C ATOM 1188 C VAL B 17 -3.376 7.141 2.478 1.00 0.00 C ATOM 1189 O VAL B 17 -3.241 7.428 3.655 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.824 5.442 1.403 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.713 6.237 2.110 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.466 3.969 1.450 1.00 0.00 C ATOM 0 H VAL B 17 -3.762 5.212 -0.003 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.431 5.053 2.891 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.884 5.796 0.374 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.244 6.027 1.633 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.927 7.303 2.039 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.668 5.945 3.159 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.476 3.821 1.018 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.465 3.628 2.485 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.199 3.398 0.880 1.00 0.00 H new ATOM 1202 N THR B 18 -3.570 8.069 1.556 1.00 0.00 N ATOM 1203 CA THR B 18 -3.622 9.511 1.957 1.00 0.00 C ATOM 1204 C THR B 18 -4.734 10.330 1.255 1.00 0.00 C ATOM 1205 O THR B 18 -4.530 11.504 0.979 1.00 0.00 O ATOM 1206 CB THR B 18 -2.207 10.036 1.613 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.038 11.346 2.139 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.985 10.058 0.088 1.00 0.00 C ATOM 0 H THR B 18 -3.692 7.887 0.560 1.00 0.00 H new ATOM 0 HA THR B 18 -3.880 9.617 3.011 1.00 0.00 H new ATOM 0 HB THR B 18 -1.474 9.365 2.060 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.823 11.890 1.920 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.984 10.431 -0.129 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.090 9.049 -0.310 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.724 10.710 -0.378 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.918 9.771 1.001 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.004 10.623 0.371 1.00 0.00 C ATOM 1218 C LEU B 19 -7.345 11.813 1.326 1.00 0.00 C ATOM 1219 O LEU B 19 -6.911 11.824 2.470 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.205 9.705 0.090 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.576 8.871 1.310 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.065 9.022 1.550 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.230 7.400 1.046 1.00 0.00 C ATOM 0 H LEU B 19 -6.169 8.802 1.195 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.687 11.068 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.061 10.308 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.970 9.044 -0.745 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.023 9.207 2.187 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.355 8.433 2.420 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.300 10.071 1.728 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.612 8.670 0.675 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.495 6.802 1.918 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.788 7.045 0.179 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.161 7.307 0.853 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.023 12.822 0.804 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.297 14.082 1.584 1.00 0.00 C ATOM 1237 C PRO B 20 -9.043 13.933 2.931 1.00 0.00 C ATOM 1238 O PRO B 20 -8.830 14.761 3.802 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.095 14.939 0.596 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.678 13.963 -0.362 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.627 12.901 -0.538 1.00 0.00 C ATOM 0 HA PRO B 20 -7.353 14.511 1.919 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.873 15.509 1.104 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.453 15.659 0.087 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.605 13.539 0.024 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.918 14.440 -1.312 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.060 11.949 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.895 13.177 -1.297 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.916 12.959 3.133 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.653 12.900 4.464 1.00 0.00 C ATOM 1251 C ASN B 21 -10.666 11.509 5.136 1.00 0.00 C ATOM 1252 O ASN B 21 -11.544 11.247 5.946 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.092 13.300 4.134 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.187 14.763 3.675 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.484 15.624 4.165 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.053 15.081 2.757 1.00 0.00 N ATOM 0 H ASN B 21 -10.148 12.225 2.464 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.147 13.552 5.176 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.480 12.648 3.352 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.721 13.153 5.012 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.140 16.050 2.451 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.645 14.361 2.343 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.738 10.621 4.851 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.783 9.278 5.533 1.00 0.00 C ATOM 1265 C LEU B 22 -8.945 9.273 6.810 1.00 0.00 C ATOM 1266 O LEU B 22 -7.986 10.016 6.951 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.193 8.263 4.569 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.788 6.872 4.825 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -11.049 6.673 3.979 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.747 5.812 4.458 1.00 0.00 C ATOM 0 H LEU B 22 -8.970 10.759 4.194 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.813 9.044 5.801 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.394 8.568 3.542 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.110 8.229 4.685 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.056 6.780 5.877 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.462 5.682 4.169 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.787 7.431 4.242 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.797 6.764 2.923 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.160 4.819 4.636 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.482 5.911 3.405 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.856 5.950 5.071 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.293 8.394 7.708 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.515 8.251 8.991 1.00 0.00 C ATOM 1284 C ASN B 23 -7.525 7.068 8.879 1.00 0.00 C ATOM 1285 O ASN B 23 -7.666 6.216 8.014 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.551 8.058 10.129 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.432 6.810 9.923 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.033 5.854 9.299 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -11.630 6.781 10.439 1.00 0.00 N ATOM 0 H ASN B 23 -10.087 7.760 7.616 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.911 9.133 9.202 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -9.028 7.976 11.082 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -10.187 8.941 10.190 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -12.219 5.958 10.314 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.977 7.581 10.967 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.508 7.035 9.721 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.466 5.943 9.650 1.00 0.00 C ATOM 1298 C ASP B 24 -6.013 4.487 9.788 1.00 0.00 C ATOM 1299 O ASP B 24 -5.475 3.611 9.125 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.397 6.268 10.725 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.967 6.192 12.148 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.515 7.184 12.600 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.831 5.147 12.765 1.00 0.00 O ATOM 0 H ASP B 24 -6.354 7.722 10.459 1.00 0.00 H new ATOM 0 HA ASP B 24 -5.041 5.943 8.646 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.565 5.570 10.631 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.997 7.267 10.548 1.00 0.00 H new ATOM 1308 N PRO B 25 -7.031 4.227 10.620 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.536 2.825 10.755 1.00 0.00 C ATOM 1310 C PRO B 25 -8.228 2.325 9.466 1.00 0.00 C ATOM 1311 O PRO B 25 -8.060 1.170 9.087 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.526 2.902 11.917 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.966 4.324 11.954 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.798 5.149 11.486 1.00 0.00 C ATOM 0 HA PRO B 25 -6.727 2.116 10.930 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.371 2.231 11.761 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.056 2.610 12.856 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.832 4.478 11.310 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.264 4.611 12.963 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.127 6.031 10.937 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.197 5.501 12.324 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.999 3.169 8.789 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.692 2.718 7.537 1.00 0.00 C ATOM 1324 C GLN B 26 -8.678 2.451 6.422 1.00 0.00 C ATOM 1325 O GLN B 26 -8.744 1.412 5.802 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.683 3.828 7.156 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.835 3.842 8.176 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.915 4.852 7.770 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.090 4.566 7.870 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.576 6.034 7.335 1.00 0.00 N ATOM 0 H GLN B 26 -9.171 4.139 9.054 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.222 1.779 7.694 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.179 4.795 7.144 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.071 3.658 6.152 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.272 2.846 8.250 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.448 4.094 9.163 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.590 6.282 7.248 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.296 6.710 7.082 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.733 3.355 6.179 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.705 3.106 5.096 1.00 0.00 C ATOM 1341 C LYS B 27 -5.922 1.822 5.364 1.00 0.00 C ATOM 1342 O LYS B 27 -5.622 1.096 4.438 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.731 4.296 5.020 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.279 4.818 6.393 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.630 6.199 6.214 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.698 7.249 5.859 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.334 8.476 6.628 1.00 0.00 N ATOM 0 H LYS B 27 -7.633 4.240 6.677 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.230 2.997 4.147 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.852 3.998 4.448 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.208 5.109 4.472 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.131 4.887 7.069 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.570 4.124 6.845 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.116 6.488 7.131 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.877 6.155 5.427 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.709 7.448 4.787 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.695 6.900 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -6.166 9.095 6.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -5.010 8.206 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.572 8.982 6.133 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.594 1.537 6.610 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.837 0.272 6.908 1.00 0.00 C ATOM 1363 C LYS B 28 -5.669 -0.935 6.442 1.00 0.00 C ATOM 1364 O LYS B 28 -5.241 -1.684 5.595 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.665 0.197 8.441 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.452 1.007 8.872 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.396 0.099 9.508 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.709 -0.728 8.418 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.357 -1.069 8.958 1.00 0.00 N ATOM 0 H LYS B 28 -5.814 2.116 7.420 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.873 0.264 6.400 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.560 0.577 8.934 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.547 -0.841 8.751 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.026 1.521 8.010 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.755 1.775 9.583 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.659 0.699 10.042 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.862 -0.560 10.240 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.279 -1.629 8.193 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.628 -0.162 7.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.364 -0.493 8.478 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.332 -0.874 9.979 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.161 -2.077 8.793 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.877 -1.098 6.970 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.757 -2.246 6.532 1.00 0.00 C ATOM 1385 C ALA B 29 -8.016 -2.168 5.012 1.00 0.00 C ATOM 1386 O ALA B 29 -8.124 -3.180 4.344 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.069 -2.076 7.308 1.00 0.00 C ATOM 0 H ALA B 29 -7.285 -0.489 7.679 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.294 -3.213 6.730 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.757 -2.877 7.039 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.866 -2.116 8.378 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.517 -1.114 7.059 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.095 -0.962 4.481 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.322 -0.754 3.011 1.00 0.00 C ATOM 1395 C PHE B 30 -7.146 -1.282 2.194 1.00 0.00 C ATOM 1396 O PHE B 30 -7.319 -2.048 1.270 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.383 0.767 2.839 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.720 1.194 2.329 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.040 0.978 0.993 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.631 1.816 3.185 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.279 1.382 0.509 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.869 2.224 2.699 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.196 2.005 1.363 1.00 0.00 C ATOM 0 H PHE B 30 -8.010 -0.099 5.018 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.220 -1.272 2.674 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.182 1.253 3.794 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.605 1.090 2.147 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.330 0.499 0.335 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.375 1.980 4.221 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.534 1.215 -0.527 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.575 2.710 3.356 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.159 2.316 0.986 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.955 -0.862 2.530 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.749 -1.326 1.791 1.00 0.00 C ATOM 1415 C ILE B 31 -4.550 -2.818 2.031 1.00 0.00 C ATOM 1416 O ILE B 31 -4.207 -3.550 1.127 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.591 -0.512 2.373 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.578 0.863 1.673 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.240 -1.254 2.188 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.166 1.278 1.380 1.00 0.00 C ATOM 0 H ILE B 31 -5.767 -0.211 3.292 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.829 -1.185 0.713 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.728 -0.378 3.446 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.151 0.814 0.747 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.060 1.607 2.307 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.434 -0.654 2.610 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.281 -2.217 2.698 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.055 -1.414 1.126 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.167 2.250 0.886 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.606 1.346 2.313 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.698 0.540 0.728 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.773 -3.264 3.247 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.615 -4.710 3.553 1.00 0.00 C ATOM 1434 C PHE B 32 -5.633 -5.513 2.711 1.00 0.00 C ATOM 1435 O PHE B 32 -5.303 -6.580 2.227 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.808 -4.838 5.078 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.503 -4.481 5.796 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.873 -3.199 5.641 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.887 -5.439 6.634 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.693 -2.930 6.297 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.697 -5.137 7.273 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.106 -3.895 7.105 1.00 0.00 C ATOM 0 H PHE B 32 -5.057 -2.683 4.036 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.638 -5.117 3.292 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.609 -4.177 5.409 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.108 -5.855 5.332 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.325 -2.447 5.011 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.345 -6.407 6.775 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.222 -1.965 6.183 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.226 -5.874 7.907 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.177 -3.675 7.609 1.00 0.00 H new ATOM 1452 N SER B 33 -6.835 -4.974 2.436 1.00 0.00 N ATOM 1453 CA SER B 33 -7.783 -5.710 1.527 1.00 0.00 C ATOM 1454 C SER B 33 -7.325 -5.505 0.058 1.00 0.00 C ATOM 1455 O SER B 33 -7.449 -6.397 -0.755 1.00 0.00 O ATOM 1456 CB SER B 33 -9.191 -5.149 1.789 1.00 0.00 C ATOM 1457 OG SER B 33 -9.259 -3.784 1.424 1.00 0.00 O ATOM 0 H SER B 33 -7.176 -4.083 2.798 1.00 0.00 H new ATOM 0 HA SER B 33 -7.793 -6.784 1.715 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.927 -5.720 1.222 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.443 -5.262 2.843 1.00 0.00 H new ATOM 0 HG SER B 33 -8.358 -3.399 1.429 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.734 -4.346 -0.260 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.181 -4.089 -1.648 1.00 0.00 C ATOM 1465 C LEU B 34 -5.057 -5.099 -1.915 1.00 0.00 C ATOM 1466 O LEU B 34 -4.942 -5.641 -2.993 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.604 -2.654 -1.604 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.087 -2.211 -2.975 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.243 -1.682 -3.829 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.049 -1.095 -2.792 1.00 0.00 C ATOM 0 H LEU B 34 -6.615 -3.570 0.391 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.933 -4.190 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.375 -1.962 -1.264 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.793 -2.610 -0.877 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.632 -3.066 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.863 -1.370 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.985 -2.469 -3.964 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.704 -0.830 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.680 -0.778 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.511 -0.247 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.218 -1.466 -2.192 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.240 -5.351 -0.911 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.123 -6.330 -1.043 1.00 0.00 C ATOM 1484 C TRP B 35 -3.653 -7.766 -1.254 1.00 0.00 C ATOM 1485 O TRP B 35 -3.153 -8.491 -2.092 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.358 -6.252 0.275 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.125 -7.060 0.114 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.884 -8.242 0.709 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.014 -6.783 -0.738 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.338 -8.703 0.285 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.937 -7.831 -0.596 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.336 -5.728 -1.601 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.139 -7.828 -1.288 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.541 -5.729 -2.292 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.437 -6.771 -2.136 1.00 0.00 C ATOM 0 H TRP B 35 -4.308 -4.908 0.005 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.499 -6.096 -1.905 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.112 -5.218 0.516 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.965 -6.635 1.095 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.541 -8.744 1.404 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.752 -9.585 0.586 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.356 -4.909 -1.730 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.838 -8.642 -1.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.780 -4.911 -2.955 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.372 -6.762 -2.676 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.651 -8.178 -0.485 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.206 -9.568 -0.626 1.00 0.00 C ATOM 1508 C ASP B 36 -6.026 -9.697 -1.909 1.00 0.00 C ATOM 1509 O ASP B 36 -5.881 -10.664 -2.639 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.103 -9.805 0.607 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.261 -9.910 1.893 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.214 -10.548 1.865 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.688 -9.359 2.894 1.00 0.00 O ATOM 0 H ASP B 36 -5.100 -7.608 0.231 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.404 -10.304 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.818 -8.988 0.703 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.680 -10.720 0.471 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.883 -8.733 -2.189 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.711 -8.804 -3.424 1.00 0.00 C ATOM 1520 C ASP B 37 -7.660 -7.471 -4.192 1.00 0.00 C ATOM 1521 O ASP B 37 -8.631 -6.728 -4.212 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.147 -9.134 -2.965 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.166 -10.429 -2.141 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.119 -11.492 -2.739 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.223 -10.335 -0.925 1.00 0.00 O ATOM 0 H ASP B 37 -7.037 -7.907 -1.611 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.339 -9.567 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.542 -8.311 -2.369 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.797 -9.239 -3.834 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.530 -7.220 -4.845 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.379 -5.985 -5.665 1.00 0.00 C ATOM 1532 C PRO B 38 -7.279 -6.013 -6.915 1.00 0.00 C ATOM 1533 O PRO B 38 -7.361 -5.028 -7.621 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.919 -5.971 -6.052 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.499 -7.402 -5.979 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.303 -8.029 -4.878 1.00 0.00 C ATOM 0 HA PRO B 38 -6.678 -5.093 -5.114 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.778 -5.567 -7.054 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.334 -5.351 -5.373 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.680 -7.908 -6.927 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.432 -7.483 -5.774 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.519 -9.077 -5.086 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.774 -7.995 -3.925 1.00 0.00 H new ATOM 1544 N SER B 39 -7.997 -7.105 -7.173 1.00 0.00 N ATOM 1545 CA SER B 39 -8.945 -7.129 -8.340 1.00 0.00 C ATOM 1546 C SER B 39 -9.974 -6.001 -8.116 1.00 0.00 C ATOM 1547 O SER B 39 -10.421 -5.356 -9.045 1.00 0.00 O ATOM 1548 CB SER B 39 -9.624 -8.500 -8.299 1.00 0.00 C ATOM 1549 OG SER B 39 -9.744 -9.007 -9.623 1.00 0.00 O ATOM 0 H SER B 39 -7.961 -7.966 -6.627 1.00 0.00 H new ATOM 0 HA SER B 39 -8.457 -6.978 -9.303 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.042 -9.188 -7.686 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.609 -8.417 -7.839 1.00 0.00 H new ATOM 0 HG SER B 39 -10.177 -9.886 -9.599 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.293 -5.741 -6.851 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.231 -4.630 -6.483 1.00 0.00 C ATOM 1557 C GLN B 40 -10.429 -3.322 -6.242 1.00 0.00 C ATOM 1558 O GLN B 40 -10.922 -2.436 -5.583 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.901 -5.024 -5.135 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.194 -6.530 -5.005 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.983 -7.062 -6.212 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.686 -8.239 -6.692 1.00 0.00 O flip ATOM 1563 NE2 GLN B 40 -13.881 -6.411 -6.713 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.932 -6.266 -6.055 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.960 -4.474 -7.278 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.253 -4.717 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.834 -4.471 -5.028 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.255 -7.077 -4.914 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.759 -6.713 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.114 -5.491 -6.339 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.401 -6.785 -7.507 1.00 0.00 H new ATOM 1572 N SER B 41 -9.193 -3.206 -6.725 1.00 0.00 N ATOM 1573 CA SER B 41 -8.371 -1.963 -6.466 1.00 0.00 C ATOM 1574 C SER B 41 -9.073 -0.693 -6.963 1.00 0.00 C ATOM 1575 O SER B 41 -9.067 0.316 -6.279 1.00 0.00 O ATOM 1576 CB SER B 41 -7.043 -2.158 -7.190 1.00 0.00 C ATOM 1577 OG SER B 41 -7.259 -2.322 -8.589 1.00 0.00 O ATOM 0 H SER B 41 -8.725 -3.919 -7.285 1.00 0.00 H new ATOM 0 HA SER B 41 -8.227 -1.829 -5.394 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.396 -1.299 -7.014 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.528 -3.032 -6.790 1.00 0.00 H new ATOM 0 HG SER B 41 -7.388 -3.272 -8.791 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.711 -0.745 -8.124 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.459 0.458 -8.628 1.00 0.00 C ATOM 1585 C ALA B 42 -11.603 0.749 -7.646 1.00 0.00 C ATOM 1586 O ALA B 42 -11.820 1.884 -7.252 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.003 0.070 -10.009 1.00 0.00 C ATOM 0 H ALA B 42 -9.743 -1.562 -8.734 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.837 1.350 -8.705 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.559 0.908 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -10.173 -0.182 -10.669 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.664 -0.791 -9.911 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.296 -0.295 -7.215 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.392 -0.144 -6.218 1.00 0.00 C ATOM 1595 C ASN B 43 -12.825 0.306 -4.856 1.00 0.00 C ATOM 1596 O ASN B 43 -13.463 1.055 -4.160 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.037 -1.534 -6.100 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.312 -1.443 -5.254 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.358 -1.072 -5.748 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.266 -1.759 -3.987 1.00 0.00 N ATOM 0 H ASN B 43 -12.136 -1.254 -7.525 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.115 0.611 -6.525 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.274 -1.921 -7.091 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.336 -2.233 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.108 -1.694 -3.414 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.389 -2.071 -3.571 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.632 -0.152 -4.481 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.026 0.250 -3.160 1.00 0.00 C ATOM 1609 C LEU B 44 -10.673 1.731 -3.168 1.00 0.00 C ATOM 1610 O LEU B 44 -11.031 2.463 -2.273 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.761 -0.605 -3.028 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.100 -1.892 -2.285 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.232 -3.037 -2.811 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.839 -1.670 -0.793 1.00 0.00 C ATOM 0 H LEU B 44 -11.059 -0.786 -5.038 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.712 0.095 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.359 -0.836 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.989 -0.053 -2.491 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.146 -2.155 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.478 -3.955 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.419 -3.176 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.180 -2.797 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.076 -2.581 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.790 -1.417 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.465 -0.854 -0.431 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.002 2.160 -4.196 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.631 3.603 -4.342 1.00 0.00 C ATOM 1628 C LEU B 45 -10.908 4.458 -4.310 1.00 0.00 C ATOM 1629 O LEU B 45 -10.979 5.452 -3.607 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.923 3.693 -5.709 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.606 5.151 -6.082 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.171 5.938 -4.848 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.478 5.167 -7.117 1.00 0.00 C ATOM 0 H LEU B 45 -9.686 1.563 -4.960 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.986 3.967 -3.542 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.000 3.114 -5.681 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.555 3.248 -6.478 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.502 5.615 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.951 6.967 -5.132 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.972 5.929 -4.109 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.279 5.481 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.247 6.197 -7.387 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.591 4.695 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.792 4.621 -8.006 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.925 4.042 -5.032 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.223 4.786 -5.024 1.00 0.00 C ATOM 1647 C ALA B 46 -13.860 4.682 -3.631 1.00 0.00 C ATOM 1648 O ALA B 46 -14.311 5.665 -3.082 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.089 4.072 -6.058 1.00 0.00 C ATOM 0 H ALA B 46 -11.909 3.215 -5.628 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.105 5.845 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.063 4.558 -6.114 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.604 4.118 -7.033 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.219 3.030 -5.766 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.857 3.489 -3.053 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.418 3.277 -1.677 1.00 0.00 C ATOM 1657 C GLU B 47 -13.660 4.162 -0.669 1.00 0.00 C ATOM 1658 O GLU B 47 -14.233 4.648 0.285 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.182 1.785 -1.369 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.074 1.331 -0.207 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.768 -0.134 0.137 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -15.090 -0.994 -0.670 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.217 -0.371 1.200 1.00 0.00 O ATOM 0 H GLU B 47 -13.482 2.646 -3.489 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.474 3.538 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.395 1.186 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.134 1.620 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.903 1.963 0.664 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -16.124 1.440 -0.478 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.374 4.375 -0.900 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.547 5.234 0.012 1.00 0.00 C ATOM 1672 C ALA B 48 -11.984 6.699 -0.120 1.00 0.00 C ATOM 1673 O ALA B 48 -12.321 7.331 0.863 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.088 5.047 -0.453 1.00 0.00 C ATOM 0 H ALA B 48 -11.863 3.983 -1.691 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.663 4.959 1.060 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.427 5.648 0.172 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.811 3.996 -0.368 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.994 5.365 -1.491 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.005 7.228 -1.336 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.440 8.657 -1.551 1.00 0.00 C ATOM 1682 C LYS B 49 -13.900 8.846 -1.101 1.00 0.00 C ATOM 1683 O LYS B 49 -14.230 9.812 -0.441 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.329 8.925 -3.062 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.870 8.826 -3.526 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.760 9.333 -4.971 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.470 8.812 -5.633 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.325 9.391 -4.855 1.00 0.00 N ATOM 0 H LYS B 49 -11.739 6.729 -2.185 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.820 9.343 -0.974 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.939 8.206 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.722 9.916 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.228 9.416 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.526 7.794 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.627 9.005 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.765 10.423 -4.981 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.438 7.723 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.421 9.116 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.455 9.330 -5.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.524 10.387 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.201 8.858 -3.971 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.767 7.917 -1.452 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.214 8.011 -1.051 1.00 0.00 C ATOM 1704 C LYS B 50 -16.353 7.910 0.479 1.00 0.00 C ATOM 1705 O LYS B 50 -17.145 8.619 1.073 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.916 6.835 -1.760 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.334 7.215 -3.205 1.00 0.00 C ATOM 1708 CD LYS B 50 -16.258 8.052 -3.921 1.00 0.00 C ATOM 1709 CE LYS B 50 -16.584 8.147 -5.419 1.00 0.00 C ATOM 1710 NZ LYS B 50 -15.837 7.024 -6.065 1.00 0.00 N ATOM 0 H LYS B 50 -14.531 7.092 -2.003 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.659 8.964 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.249 5.974 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.797 6.538 -1.191 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.525 6.307 -3.777 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -18.268 7.776 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.211 9.050 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -15.277 7.597 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -17.656 8.056 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.275 9.109 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -15.553 7.303 -7.026 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -14.990 6.803 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -16.448 6.184 -6.115 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.559 7.064 1.120 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.610 6.953 2.621 1.00 0.00 C ATOM 1726 C LEU B 51 -15.133 8.272 3.252 1.00 0.00 C ATOM 1727 O LEU B 51 -15.701 8.731 4.228 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.691 5.773 2.984 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.626 5.565 4.509 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -16.036 5.559 5.120 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.951 4.221 4.792 1.00 0.00 C ATOM 0 H LEU B 51 -14.882 6.450 0.666 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.618 6.777 2.996 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.056 4.864 2.506 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.689 5.957 2.596 1.00 0.00 H new ATOM 0 HG LEU B 51 -14.059 6.382 4.955 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.965 5.411 6.198 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.525 6.512 4.916 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.620 4.750 4.680 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.898 4.060 5.869 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.530 3.419 4.333 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.944 4.225 4.376 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.121 8.904 2.669 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.635 10.227 3.191 1.00 0.00 C ATOM 1745 C ASN B 52 -14.789 11.238 3.154 1.00 0.00 C ATOM 1746 O ASN B 52 -14.913 12.070 4.030 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.446 10.613 2.261 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.734 11.721 1.199 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.491 12.648 1.399 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.094 11.690 0.068 1.00 0.00 N ATOM 0 H ASN B 52 -13.616 8.554 1.855 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.301 10.199 4.228 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.616 10.944 2.885 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.114 9.716 1.739 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.236 12.431 -0.619 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.450 10.925 -0.133 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.627 11.155 2.127 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.779 12.094 1.989 1.00 0.00 C ATOM 1759 C ASP B 53 -17.763 11.933 3.162 1.00 0.00 C ATOM 1760 O ASP B 53 -18.385 12.893 3.586 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.469 11.719 0.672 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.476 12.807 0.285 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.058 13.799 -0.294 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.648 12.632 0.570 1.00 0.00 O ATOM 0 H ASP B 53 -15.549 10.466 1.379 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.443 13.131 1.994 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.727 11.601 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -17.978 10.761 0.777 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.902 10.723 3.684 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.842 10.480 4.831 1.00 0.00 C ATOM 1771 C ALA B 54 -18.345 11.202 6.097 1.00 0.00 C ATOM 1772 O ALA B 54 -19.130 11.728 6.864 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.833 8.960 5.026 1.00 0.00 C ATOM 0 H ALA B 54 -17.401 9.896 3.360 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.845 10.860 4.635 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.497 8.695 5.849 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.175 8.474 4.112 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.820 8.629 5.256 1.00 0.00 H new ATOM 1779 N GLN B 55 -17.042 11.241 6.294 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.451 11.938 7.480 1.00 0.00 C ATOM 1781 C GLN B 55 -16.333 13.448 7.206 1.00 0.00 C ATOM 1782 O GLN B 55 -16.508 14.262 8.096 1.00 0.00 O ATOM 1783 CB GLN B 55 -15.064 11.300 7.636 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.210 9.853 8.125 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.845 9.173 8.071 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.368 8.651 9.056 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -13.190 9.164 6.945 1.00 0.00 N ATOM 0 H GLN B 55 -16.357 10.812 5.671 1.00 0.00 H new ATOM 0 HA GLN B 55 -17.058 11.835 8.380 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.535 11.320 6.683 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.467 11.874 8.344 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.599 9.837 9.143 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.924 9.315 7.502 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.593 9.604 6.117 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.275 8.717 6.891 1.00 0.00 H new ATOM 1796 N ALA B 56 -16.017 13.814 5.974 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.853 15.256 5.595 1.00 0.00 C ATOM 1798 C ALA B 56 -16.148 15.452 4.097 1.00 0.00 C ATOM 1799 O ALA B 56 -15.963 14.538 3.330 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.383 15.525 5.870 1.00 0.00 C ATOM 0 H ALA B 56 -15.865 13.158 5.208 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.525 15.919 6.139 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.151 16.561 5.625 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.171 15.345 6.924 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.771 14.862 5.259 1.00 0.00 H new