USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 921 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 2 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B -4 MET CE :methyl 176:sc= 0 (180deg=-0.0181) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.995 K(o=2.2,f=-1) USER MOD Set 2.2: A 67 TYR OH : rot -170:sc= 1.24 USER MOD Set 3.1: A 12 ASN : amide:sc= 0.298! K(o=1.3!,f=-5.6) USER MOD Set 3.2: A 16 LYS NZ :NH3+ -176:sc= 0.998 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= -0.0518 (180deg=-0.237) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.631 K(o=0.63,f=-1.1) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 2.42 (180deg=2.38) USER MOD Single : A 10 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.33) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.033) USER MOD Single : A 26 CYS SG : rot 68:sc= 0.481 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 29 GLN : amide:sc= 0.535 K(o=0.53,f=-0.072) USER MOD Single : A 32 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 34 GLN : amide:sc= 0.177 X(o=0.18,f=-0.083) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot -167:sc= 1.21 USER MOD Single : A 42 SER OG : rot 14:sc= -0.0737 USER MOD Single : A 43 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 156:sc= -0.0218 (180deg=-0.887) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.901) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 59 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.4) USER MOD Single : A 60 MET CE :methyl -123:sc= 0 (180deg=-0.041) USER MOD Single : A 61 CYS SG : rot 74:sc= 0.472 USER MOD Single : A 62 GLN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.0134 F(o=-1.2!,f=-0.013) USER MOD Single : A 68 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00409 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.0016) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -139:sc= 1.25 (180deg=0.558) USER MOD Single : A 81 GLN : amide:sc= 0.761 K(o=0.76,f=0) USER MOD Single : A 82 TYR OH : rot 110:sc= 0.869 USER MOD Single : A 88 GLN : amide:sc= 0.968 K(o=0.97,f=-0.031) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 1.2 K(o=1.2,f=-2.1!) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B -4 MET N :NH3+ -166:sc= 1.1 (180deg=0.638) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.574 11.548 -15.607 1.00 0.00 N ATOM 2 CA MET A 1 12.962 11.733 -14.270 1.00 0.00 C ATOM 3 C MET A 1 12.958 10.414 -13.478 1.00 0.00 C ATOM 4 O MET A 1 11.958 10.042 -12.860 1.00 0.00 O ATOM 5 CB MET A 1 11.538 12.315 -14.391 1.00 0.00 C ATOM 6 CG MET A 1 11.467 13.653 -15.136 1.00 0.00 C ATOM 7 SD MET A 1 9.784 14.315 -15.257 1.00 0.00 S ATOM 8 CE MET A 1 10.100 15.786 -16.270 1.00 0.00 C ATOM 0 H1 MET A 1 13.735 12.477 -16.046 1.00 0.00 H new ATOM 0 H2 MET A 1 14.481 11.050 -15.507 1.00 0.00 H new ATOM 0 H3 MET A 1 12.935 10.988 -16.207 1.00 0.00 H new ATOM 0 HA MET A 1 13.569 12.450 -13.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.905 11.592 -14.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.125 12.447 -13.391 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.100 14.379 -14.626 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.873 13.525 -16.139 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.164 16.317 -16.443 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.799 16.442 -15.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.528 15.484 -17.226 1.00 0.00 H new ATOM 19 N SER A 2 14.071 9.675 -13.503 1.00 0.00 N ATOM 20 CA SER A 2 14.183 8.307 -12.969 1.00 0.00 C ATOM 21 C SER A 2 14.697 8.284 -11.525 1.00 0.00 C ATOM 22 O SER A 2 14.387 7.355 -10.774 1.00 0.00 O ATOM 23 CB SER A 2 15.131 7.491 -13.862 1.00 0.00 C ATOM 24 OG SER A 2 14.690 7.482 -15.207 1.00 0.00 O ATOM 0 H SER A 2 14.944 10.017 -13.905 1.00 0.00 H new ATOM 0 HA SER A 2 13.184 7.870 -12.967 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.135 7.911 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.193 6.468 -13.491 1.00 0.00 H new ATOM 0 HG SER A 2 15.313 6.957 -15.752 1.00 0.00 H new ATOM 30 N GLN A 3 15.447 9.319 -11.126 1.00 0.00 N ATOM 31 CA GLN A 3 16.087 9.447 -9.812 1.00 0.00 C ATOM 32 C GLN A 3 15.060 9.477 -8.672 1.00 0.00 C ATOM 33 O GLN A 3 15.194 8.730 -7.699 1.00 0.00 O ATOM 34 CB GLN A 3 16.967 10.711 -9.823 1.00 0.00 C ATOM 35 CG GLN A 3 17.636 11.009 -8.472 1.00 0.00 C ATOM 36 CD GLN A 3 18.614 12.179 -8.557 1.00 0.00 C ATOM 37 OE1 GLN A 3 18.324 13.306 -8.167 1.00 0.00 O ATOM 38 NE2 GLN A 3 19.799 11.949 -9.073 1.00 0.00 N ATOM 0 H GLN A 3 15.631 10.119 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 3 16.708 8.571 -9.626 1.00 0.00 H new ATOM 0 HB2 GLN A 3 17.739 10.599 -10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 3 16.356 11.566 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 3 16.869 11.232 -7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 3 18.165 10.120 -8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 3 20.041 11.013 -9.397 1.00 0.00 H new ATOM 0 HE22 GLN A 3 20.478 12.707 -9.149 1.00 0.00 H new ATOM 47 N PHE A 4 14.001 10.285 -8.803 1.00 0.00 N ATOM 48 CA PHE A 4 12.985 10.398 -7.753 1.00 0.00 C ATOM 49 C PHE A 4 11.990 9.217 -7.722 1.00 0.00 C ATOM 50 O PHE A 4 11.212 9.079 -6.778 1.00 0.00 O ATOM 51 CB PHE A 4 12.354 11.801 -7.754 1.00 0.00 C ATOM 52 CG PHE A 4 10.937 11.927 -8.284 1.00 0.00 C ATOM 53 CD1 PHE A 4 10.567 11.389 -9.534 1.00 0.00 C ATOM 54 CD2 PHE A 4 9.978 12.605 -7.510 1.00 0.00 C ATOM 55 CE1 PHE A 4 9.236 11.489 -9.976 1.00 0.00 C ATOM 56 CE2 PHE A 4 8.645 12.700 -7.946 1.00 0.00 C ATOM 57 CZ PHE A 4 8.276 12.139 -9.178 1.00 0.00 C ATOM 0 H PHE A 4 13.827 10.867 -9.622 1.00 0.00 H new ATOM 0 HA PHE A 4 13.484 10.301 -6.789 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.366 12.177 -6.731 1.00 0.00 H new ATOM 0 HB3 PHE A 4 12.994 12.458 -8.343 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.306 10.900 -10.152 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.268 13.056 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.950 11.067 -10.928 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.909 13.202 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.252 12.206 -9.515 1.00 0.00 H new ATOM 67 N GLU A 5 12.043 8.319 -8.714 1.00 0.00 N ATOM 68 CA GLU A 5 11.317 7.044 -8.733 1.00 0.00 C ATOM 69 C GLU A 5 12.128 5.937 -8.047 1.00 0.00 C ATOM 70 O GLU A 5 11.634 5.269 -7.137 1.00 0.00 O ATOM 71 CB GLU A 5 10.970 6.667 -10.184 1.00 0.00 C ATOM 72 CG GLU A 5 10.028 7.660 -10.880 1.00 0.00 C ATOM 73 CD GLU A 5 8.609 7.604 -10.310 1.00 0.00 C ATOM 74 OE1 GLU A 5 8.385 8.101 -9.186 1.00 0.00 O ATOM 75 OE2 GLU A 5 7.680 7.067 -10.961 1.00 0.00 O ATOM 0 H GLU A 5 12.609 8.465 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 5 10.390 7.157 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 5 11.893 6.593 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 5 10.509 5.679 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 5 10.422 8.670 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 5 9.998 7.443 -11.948 1.00 0.00 H new ATOM 83 N LYS A 6 13.418 5.794 -8.380 1.00 0.00 N ATOM 84 CA LYS A 6 14.263 4.773 -7.743 1.00 0.00 C ATOM 85 C LYS A 6 14.499 5.049 -6.251 1.00 0.00 C ATOM 86 O LYS A 6 14.623 4.091 -5.489 1.00 0.00 O ATOM 87 CB LYS A 6 15.527 4.499 -8.583 1.00 0.00 C ATOM 88 CG LYS A 6 16.511 5.671 -8.730 1.00 0.00 C ATOM 89 CD LYS A 6 17.548 5.731 -7.604 1.00 0.00 C ATOM 90 CE LYS A 6 18.277 7.077 -7.617 1.00 0.00 C ATOM 91 NZ LYS A 6 19.374 7.089 -6.629 1.00 0.00 N ATOM 0 H LYS A 6 13.895 6.364 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 6 13.722 3.827 -7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.059 3.659 -8.137 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.215 4.186 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.027 5.587 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 6 15.952 6.606 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 6 17.057 5.586 -6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 6 18.267 4.920 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.676 7.270 -8.613 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.573 7.879 -7.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.855 8.011 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.986 6.927 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 20.055 6.337 -6.857 1.00 0.00 H new ATOM 105 N GLN A 7 14.469 6.306 -5.787 1.00 0.00 N ATOM 106 CA GLN A 7 14.593 6.630 -4.362 1.00 0.00 C ATOM 107 C GLN A 7 13.353 6.252 -3.520 1.00 0.00 C ATOM 108 O GLN A 7 13.499 5.882 -2.355 1.00 0.00 O ATOM 109 CB GLN A 7 15.021 8.094 -4.205 1.00 0.00 C ATOM 110 CG GLN A 7 13.927 9.150 -4.412 1.00 0.00 C ATOM 111 CD GLN A 7 13.096 9.448 -3.167 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.946 9.059 -3.053 1.00 0.00 O ATOM 113 NE2 GLN A 7 13.636 10.153 -2.203 1.00 0.00 N ATOM 0 H GLN A 7 14.358 7.123 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 7 15.377 5.999 -3.943 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.436 8.223 -3.205 1.00 0.00 H new ATOM 0 HB3 GLN A 7 15.826 8.293 -4.913 1.00 0.00 H new ATOM 0 HG2 GLN A 7 14.392 10.075 -4.754 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.261 8.815 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 7 14.597 10.483 -2.289 1.00 0.00 H new ATOM 0 HE22 GLN A 7 13.095 10.372 -1.367 1.00 0.00 H new ATOM 122 N LYS A 8 12.141 6.227 -4.101 1.00 0.00 N ATOM 123 CA LYS A 8 10.960 5.694 -3.392 1.00 0.00 C ATOM 124 C LYS A 8 10.977 4.161 -3.352 1.00 0.00 C ATOM 125 O LYS A 8 10.567 3.570 -2.358 1.00 0.00 O ATOM 126 CB LYS A 8 9.640 6.332 -3.880 1.00 0.00 C ATOM 127 CG LYS A 8 9.354 6.219 -5.384 1.00 0.00 C ATOM 128 CD LYS A 8 7.956 6.703 -5.807 1.00 0.00 C ATOM 129 CE LYS A 8 7.683 8.207 -5.643 1.00 0.00 C ATOM 130 NZ LYS A 8 8.454 9.019 -6.615 1.00 0.00 N ATOM 0 H LYS A 8 11.952 6.564 -5.045 1.00 0.00 H new ATOM 0 HA LYS A 8 11.019 6.000 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 8 8.814 5.871 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 9.648 7.388 -3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.103 6.794 -5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.471 5.178 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.803 6.439 -6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.213 6.154 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.618 8.399 -5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.940 8.514 -4.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.335 10.029 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 9.462 8.768 -6.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.107 8.830 -7.577 1.00 0.00 H new ATOM 144 N GLU A 9 11.560 3.509 -4.358 1.00 0.00 N ATOM 145 CA GLU A 9 11.834 2.062 -4.342 1.00 0.00 C ATOM 146 C GLU A 9 12.971 1.661 -3.373 1.00 0.00 C ATOM 147 O GLU A 9 12.894 0.591 -2.763 1.00 0.00 O ATOM 148 CB GLU A 9 12.106 1.590 -5.781 1.00 0.00 C ATOM 149 CG GLU A 9 10.816 1.521 -6.615 1.00 0.00 C ATOM 150 CD GLU A 9 10.065 0.215 -6.343 1.00 0.00 C ATOM 151 OE1 GLU A 9 10.208 -0.744 -7.139 1.00 0.00 O ATOM 152 OE2 GLU A 9 9.379 0.095 -5.305 1.00 0.00 O ATOM 0 H GLU A 9 11.860 3.970 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 9 10.951 1.555 -3.953 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.811 2.270 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.576 0.607 -5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.176 2.371 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.058 1.593 -7.675 1.00 0.00 H new ATOM 160 N GLN A 10 13.964 2.531 -3.141 1.00 0.00 N ATOM 161 CA GLN A 10 14.899 2.438 -2.003 1.00 0.00 C ATOM 162 C GLN A 10 14.116 2.512 -0.679 1.00 0.00 C ATOM 163 O GLN A 10 14.277 1.650 0.186 1.00 0.00 O ATOM 164 CB GLN A 10 15.961 3.557 -2.119 1.00 0.00 C ATOM 165 CG GLN A 10 16.836 3.815 -0.870 1.00 0.00 C ATOM 166 CD GLN A 10 17.569 5.161 -0.909 1.00 0.00 C ATOM 167 OE1 GLN A 10 17.714 5.814 -1.937 1.00 0.00 O ATOM 168 NE2 GLN A 10 18.045 5.652 0.214 1.00 0.00 N ATOM 0 H GLN A 10 14.146 3.332 -3.746 1.00 0.00 H new ATOM 0 HA GLN A 10 15.421 1.481 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.620 3.315 -2.953 1.00 0.00 H new ATOM 0 HB3 GLN A 10 15.451 4.486 -2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 10 16.207 3.778 0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 10 17.568 3.013 -0.776 1.00 0.00 H new ATOM 0 HE21 GLN A 10 17.939 5.131 1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 10 18.521 6.554 0.215 1.00 0.00 H new ATOM 177 N GLY A 11 13.214 3.493 -0.541 1.00 0.00 N ATOM 178 CA GLY A 11 12.321 3.627 0.616 1.00 0.00 C ATOM 179 C GLY A 11 11.514 2.358 0.924 1.00 0.00 C ATOM 180 O GLY A 11 11.391 1.983 2.091 1.00 0.00 O ATOM 0 H GLY A 11 13.083 4.225 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.913 3.892 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.631 4.451 0.437 1.00 0.00 H new ATOM 184 N ASN A 12 11.035 1.643 -0.101 1.00 0.00 N ATOM 185 CA ASN A 12 10.315 0.376 0.072 1.00 0.00 C ATOM 186 C ASN A 12 11.176 -0.696 0.767 1.00 0.00 C ATOM 187 O ASN A 12 10.735 -1.296 1.751 1.00 0.00 O ATOM 188 CB ASN A 12 9.813 -0.120 -1.298 1.00 0.00 C ATOM 189 CG ASN A 12 8.719 -1.169 -1.167 1.00 0.00 C ATOM 190 OD1 ASN A 12 7.994 -1.238 -0.186 1.00 0.00 O ATOM 191 ND2 ASN A 12 8.523 -1.996 -2.161 1.00 0.00 N ATOM 0 H ASN A 12 11.136 1.927 -1.075 1.00 0.00 H new ATOM 0 HA ASN A 12 9.463 0.558 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.435 0.726 -1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.649 -0.538 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 12 7.773 -2.686 -2.110 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.120 -1.951 -2.987 1.00 0.00 H new ATOM 198 N SER A 13 12.420 -0.884 0.308 1.00 0.00 N ATOM 199 CA SER A 13 13.381 -1.804 0.932 1.00 0.00 C ATOM 200 C SER A 13 13.802 -1.354 2.328 1.00 0.00 C ATOM 201 O SER A 13 13.968 -2.194 3.214 1.00 0.00 O ATOM 202 CB SER A 13 14.637 -1.958 0.064 1.00 0.00 C ATOM 203 OG SER A 13 14.401 -2.920 -0.940 1.00 0.00 O ATOM 0 H SER A 13 12.790 -0.400 -0.510 1.00 0.00 H new ATOM 0 HA SER A 13 12.867 -2.761 1.020 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.899 -1.001 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 13 15.483 -2.261 0.681 1.00 0.00 H new ATOM 0 HG SER A 13 15.203 -3.017 -1.495 1.00 0.00 H new ATOM 209 N LEU A 14 13.944 -0.048 2.575 1.00 0.00 N ATOM 210 CA LEU A 14 14.244 0.476 3.912 1.00 0.00 C ATOM 211 C LEU A 14 13.129 0.116 4.910 1.00 0.00 C ATOM 212 O LEU A 14 13.432 -0.429 5.973 1.00 0.00 O ATOM 213 CB LEU A 14 14.520 1.988 3.830 1.00 0.00 C ATOM 214 CG LEU A 14 15.848 2.370 3.148 1.00 0.00 C ATOM 215 CD1 LEU A 14 15.904 3.884 2.954 1.00 0.00 C ATOM 216 CD2 LEU A 14 17.062 1.967 3.982 1.00 0.00 C ATOM 0 H LEU A 14 13.855 0.672 1.858 1.00 0.00 H new ATOM 0 HA LEU A 14 15.149 0.004 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.701 2.463 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.516 2.398 4.840 1.00 0.00 H new ATOM 0 HG LEU A 14 15.881 1.840 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.843 4.155 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.070 4.202 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.839 4.378 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.974 2.257 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.022 2.469 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.058 0.887 4.133 1.00 0.00 H new ATOM 228 N PHE A 15 11.846 0.268 4.546 1.00 0.00 N ATOM 229 CA PHE A 15 10.734 -0.261 5.357 1.00 0.00 C ATOM 230 C PHE A 15 10.818 -1.783 5.556 1.00 0.00 C ATOM 231 O PHE A 15 10.577 -2.270 6.662 1.00 0.00 O ATOM 232 CB PHE A 15 9.371 0.122 4.753 1.00 0.00 C ATOM 233 CG PHE A 15 8.933 1.540 5.064 1.00 0.00 C ATOM 234 CD1 PHE A 15 8.600 1.881 6.388 1.00 0.00 C ATOM 235 CD2 PHE A 15 8.842 2.514 4.054 1.00 0.00 C ATOM 236 CE1 PHE A 15 8.271 3.205 6.718 1.00 0.00 C ATOM 237 CE2 PHE A 15 8.484 3.836 4.378 1.00 0.00 C ATOM 238 CZ PHE A 15 8.224 4.184 5.715 1.00 0.00 C ATOM 0 H PHE A 15 11.552 0.752 3.698 1.00 0.00 H new ATOM 0 HA PHE A 15 10.827 0.201 6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.417 -0.004 3.671 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.614 -0.570 5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 15 8.598 1.120 7.154 1.00 0.00 H new ATOM 0 HD2 PHE A 15 9.047 2.247 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.054 3.469 7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 15 8.409 4.582 3.601 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.988 5.207 5.970 1.00 0.00 H new ATOM 248 N LYS A 16 11.208 -2.532 4.518 1.00 0.00 N ATOM 249 CA LYS A 16 11.313 -4.005 4.536 1.00 0.00 C ATOM 250 C LYS A 16 12.446 -4.564 5.412 1.00 0.00 C ATOM 251 O LYS A 16 12.306 -5.667 5.945 1.00 0.00 O ATOM 252 CB LYS A 16 11.414 -4.512 3.081 1.00 0.00 C ATOM 253 CG LYS A 16 10.374 -5.574 2.696 1.00 0.00 C ATOM 254 CD LYS A 16 8.904 -5.240 3.019 1.00 0.00 C ATOM 255 CE LYS A 16 8.465 -3.801 2.717 1.00 0.00 C ATOM 256 NZ LYS A 16 8.480 -3.514 1.271 1.00 0.00 N ATOM 0 H LYS A 16 11.467 -2.126 3.619 1.00 0.00 H new ATOM 0 HA LYS A 16 10.408 -4.383 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.311 -3.662 2.407 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.410 -4.925 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.455 -5.760 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.632 -6.505 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.264 -5.921 2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.730 -5.439 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.461 -3.638 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.126 -3.104 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.243 -2.514 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.427 -3.710 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.781 -4.115 0.790 1.00 0.00 H new ATOM 270 N GLN A 17 13.527 -3.802 5.599 1.00 0.00 N ATOM 271 CA GLN A 17 14.620 -4.085 6.550 1.00 0.00 C ATOM 272 C GLN A 17 14.323 -3.585 7.978 1.00 0.00 C ATOM 273 O GLN A 17 14.951 -4.039 8.936 1.00 0.00 O ATOM 274 CB GLN A 17 15.908 -3.425 6.047 1.00 0.00 C ATOM 275 CG GLN A 17 16.513 -4.121 4.815 1.00 0.00 C ATOM 276 CD GLN A 17 17.401 -3.156 4.046 1.00 0.00 C ATOM 277 OE1 GLN A 17 18.625 -3.241 4.005 1.00 0.00 O ATOM 278 NE2 GLN A 17 16.790 -2.177 3.428 1.00 0.00 N ATOM 0 H GLN A 17 13.676 -2.939 5.077 1.00 0.00 H new ATOM 0 HA GLN A 17 14.726 -5.169 6.603 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.701 -2.383 5.801 1.00 0.00 H new ATOM 0 HB3 GLN A 17 16.644 -3.423 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 17 17.093 -4.989 5.128 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.716 -4.487 4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.773 -2.108 3.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 17.331 -1.483 2.911 1.00 0.00 H new ATOM 287 N GLY A 18 13.383 -2.646 8.121 1.00 0.00 N ATOM 288 CA GLY A 18 12.947 -2.065 9.407 1.00 0.00 C ATOM 289 C GLY A 18 13.500 -0.660 9.687 1.00 0.00 C ATOM 290 O GLY A 18 13.350 -0.118 10.783 1.00 0.00 O ATOM 0 H GLY A 18 12.885 -2.253 7.323 1.00 0.00 H new ATOM 0 HA2 GLY A 18 11.858 -2.024 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.252 -2.730 10.215 1.00 0.00 H new ATOM 294 N LEU A 19 14.128 -0.050 8.683 1.00 0.00 N ATOM 295 CA LEU A 19 14.797 1.250 8.704 1.00 0.00 C ATOM 296 C LEU A 19 13.791 2.363 8.393 1.00 0.00 C ATOM 297 O LEU A 19 13.933 3.126 7.440 1.00 0.00 O ATOM 298 CB LEU A 19 16.024 1.199 7.770 1.00 0.00 C ATOM 299 CG LEU A 19 16.993 0.023 8.020 1.00 0.00 C ATOM 300 CD1 LEU A 19 18.181 0.127 7.069 1.00 0.00 C ATOM 301 CD2 LEU A 19 17.531 -0.022 9.450 1.00 0.00 C ATOM 0 H LEU A 19 14.187 -0.486 7.763 1.00 0.00 H new ATOM 0 HA LEU A 19 15.182 1.486 9.696 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.674 1.147 6.739 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.577 2.133 7.872 1.00 0.00 H new ATOM 0 HG LEU A 19 16.420 -0.888 7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.864 -0.704 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 19 17.827 0.091 6.039 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.703 1.068 7.240 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.205 -0.871 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 19 18.071 0.900 9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.700 -0.127 10.148 1.00 0.00 H new ATOM 313 N TYR A 20 12.718 2.407 9.187 1.00 0.00 N ATOM 314 CA TYR A 20 11.586 3.318 9.000 1.00 0.00 C ATOM 315 C TYR A 20 12.010 4.792 9.003 1.00 0.00 C ATOM 316 O TYR A 20 11.519 5.559 8.182 1.00 0.00 O ATOM 317 CB TYR A 20 10.534 3.106 10.104 1.00 0.00 C ATOM 318 CG TYR A 20 10.004 1.700 10.356 1.00 0.00 C ATOM 319 CD1 TYR A 20 10.046 0.692 9.370 1.00 0.00 C ATOM 320 CD2 TYR A 20 9.422 1.421 11.609 1.00 0.00 C ATOM 321 CE1 TYR A 20 9.500 -0.581 9.629 1.00 0.00 C ATOM 322 CE2 TYR A 20 8.895 0.147 11.879 1.00 0.00 C ATOM 323 CZ TYR A 20 8.933 -0.857 10.890 1.00 0.00 C ATOM 324 OH TYR A 20 8.445 -2.091 11.182 1.00 0.00 O ATOM 0 H TYR A 20 12.610 1.796 9.997 1.00 0.00 H new ATOM 0 HA TYR A 20 11.164 3.085 8.022 1.00 0.00 H new ATOM 0 HB2 TYR A 20 10.960 3.470 11.039 1.00 0.00 H new ATOM 0 HB3 TYR A 20 9.681 3.743 9.873 1.00 0.00 H new ATOM 0 HD1 TYR A 20 10.499 0.897 8.411 1.00 0.00 H new ATOM 0 HD2 TYR A 20 9.381 2.191 12.366 1.00 0.00 H new ATOM 0 HE1 TYR A 20 9.516 -1.343 8.864 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.460 -0.063 12.845 1.00 0.00 H new ATOM 0 HH TYR A 20 8.094 -2.096 12.097 1.00 0.00 H new ATOM 334 N ARG A 21 12.940 5.202 9.877 1.00 0.00 N ATOM 335 CA ARG A 21 13.384 6.605 9.978 1.00 0.00 C ATOM 336 C ARG A 21 14.158 7.024 8.722 1.00 0.00 C ATOM 337 O ARG A 21 13.941 8.117 8.194 1.00 0.00 O ATOM 338 CB ARG A 21 14.209 6.840 11.263 1.00 0.00 C ATOM 339 CG ARG A 21 13.405 6.831 12.580 1.00 0.00 C ATOM 340 CD ARG A 21 12.888 5.452 13.013 1.00 0.00 C ATOM 341 NE ARG A 21 12.285 5.501 14.357 1.00 0.00 N ATOM 342 CZ ARG A 21 11.815 4.494 15.067 1.00 0.00 C ATOM 343 NH1 ARG A 21 11.821 3.254 14.668 1.00 0.00 N ATOM 344 NH2 ARG A 21 11.311 4.731 16.237 1.00 0.00 N ATOM 0 H ARG A 21 13.406 4.575 10.533 1.00 0.00 H new ATOM 0 HA ARG A 21 12.498 7.237 10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 21 14.981 6.073 11.324 1.00 0.00 H new ATOM 0 HB3 ARG A 21 14.719 7.799 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.033 7.233 13.375 1.00 0.00 H new ATOM 0 HG3 ARG A 21 12.555 7.505 12.474 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.150 5.096 12.294 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.709 4.736 13.007 1.00 0.00 H new ATOM 0 HE ARG A 21 12.224 6.423 14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.206 3.014 13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.441 2.523 15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.282 5.685 16.596 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.943 3.963 16.799 1.00 0.00 H new ATOM 358 N GLU A 22 14.988 6.129 8.188 1.00 0.00 N ATOM 359 CA GLU A 22 15.666 6.298 6.897 1.00 0.00 C ATOM 360 C GLU A 22 14.716 6.208 5.694 1.00 0.00 C ATOM 361 O GLU A 22 14.922 6.923 4.711 1.00 0.00 O ATOM 362 CB GLU A 22 16.798 5.268 6.766 1.00 0.00 C ATOM 363 CG GLU A 22 18.004 5.590 7.662 1.00 0.00 C ATOM 364 CD GLU A 22 18.645 6.933 7.301 1.00 0.00 C ATOM 365 OE1 GLU A 22 18.827 7.793 8.195 1.00 0.00 O ATOM 366 OE2 GLU A 22 18.979 7.142 6.110 1.00 0.00 O ATOM 0 H GLU A 22 15.215 5.247 8.648 1.00 0.00 H new ATOM 0 HA GLU A 22 16.077 7.308 6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 16.415 4.280 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 17.125 5.224 5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.686 5.609 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 22 18.746 4.797 7.569 1.00 0.00 H new ATOM 374 N ALA A 23 13.662 5.395 5.759 1.00 0.00 N ATOM 375 CA ALA A 23 12.638 5.349 4.712 1.00 0.00 C ATOM 376 C ALA A 23 11.781 6.631 4.672 1.00 0.00 C ATOM 377 O ALA A 23 11.505 7.168 3.599 1.00 0.00 O ATOM 378 CB ALA A 23 11.776 4.105 4.928 1.00 0.00 C ATOM 0 H ALA A 23 13.493 4.753 6.533 1.00 0.00 H new ATOM 0 HA ALA A 23 13.130 5.292 3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 23 11.008 4.056 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 23 12.402 3.215 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.302 4.156 5.908 1.00 0.00 H new ATOM 384 N VAL A 24 11.423 7.169 5.840 1.00 0.00 N ATOM 385 CA VAL A 24 10.701 8.443 5.983 1.00 0.00 C ATOM 386 C VAL A 24 11.546 9.624 5.488 1.00 0.00 C ATOM 387 O VAL A 24 11.004 10.519 4.842 1.00 0.00 O ATOM 388 CB VAL A 24 10.221 8.615 7.441 1.00 0.00 C ATOM 389 CG1 VAL A 24 9.676 10.015 7.738 1.00 0.00 C ATOM 390 CG2 VAL A 24 9.098 7.618 7.766 1.00 0.00 C ATOM 0 H VAL A 24 11.630 6.724 6.734 1.00 0.00 H new ATOM 0 HA VAL A 24 9.815 8.425 5.348 1.00 0.00 H new ATOM 0 HB VAL A 24 11.105 8.440 8.054 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.356 10.068 8.779 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.457 10.755 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.827 10.220 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.775 7.757 8.798 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.255 7.788 7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.466 6.600 7.635 1.00 0.00 H new ATOM 400 N HIS A 25 12.874 9.601 5.668 1.00 0.00 N ATOM 401 CA HIS A 25 13.774 10.588 5.067 1.00 0.00 C ATOM 402 C HIS A 25 13.672 10.626 3.534 1.00 0.00 C ATOM 403 O HIS A 25 13.778 11.710 2.956 1.00 0.00 O ATOM 404 CB HIS A 25 15.220 10.282 5.487 1.00 0.00 C ATOM 405 CG HIS A 25 15.639 10.873 6.805 1.00 0.00 C ATOM 406 ND1 HIS A 25 15.581 12.202 7.153 1.00 0.00 N ATOM 407 CD2 HIS A 25 16.251 10.217 7.839 1.00 0.00 C ATOM 408 CE1 HIS A 25 16.149 12.352 8.357 1.00 0.00 C ATOM 409 NE2 HIS A 25 16.564 11.160 8.825 1.00 0.00 N ATOM 0 H HIS A 25 13.351 8.899 6.233 1.00 0.00 H new ATOM 0 HA HIS A 25 13.473 11.570 5.430 1.00 0.00 H new ATOM 0 HB2 HIS A 25 15.347 9.200 5.534 1.00 0.00 H new ATOM 0 HB3 HIS A 25 15.893 10.649 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 25 16.456 9.158 7.886 1.00 0.00 H new ATOM 0 HE1 HIS A 25 16.258 13.292 8.877 1.00 0.00 H new ATOM 0 HE2 HIS A 25 17.017 10.980 9.721 1.00 0.00 H new ATOM 418 N CYS A 26 13.422 9.486 2.875 1.00 0.00 N ATOM 419 CA CYS A 26 13.274 9.425 1.419 1.00 0.00 C ATOM 420 C CYS A 26 11.986 10.120 0.954 1.00 0.00 C ATOM 421 O CYS A 26 12.058 10.956 0.052 1.00 0.00 O ATOM 422 CB CYS A 26 13.358 7.968 0.927 1.00 0.00 C ATOM 423 SG CYS A 26 14.938 7.202 1.399 1.00 0.00 S ATOM 0 H CYS A 26 13.317 8.583 3.338 1.00 0.00 H new ATOM 0 HA CYS A 26 14.102 9.973 0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 26 12.533 7.392 1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 26 13.248 7.941 -0.157 1.00 0.00 H new ATOM 0 HG CYS A 26 14.978 7.051 2.690 1.00 0.00 H new ATOM 429 N TYR A 27 10.830 9.874 1.594 1.00 0.00 N ATOM 430 CA TYR A 27 9.613 10.627 1.235 1.00 0.00 C ATOM 431 C TYR A 27 9.731 12.120 1.590 1.00 0.00 C ATOM 432 O TYR A 27 9.217 12.971 0.865 1.00 0.00 O ATOM 433 CB TYR A 27 8.312 9.957 1.733 1.00 0.00 C ATOM 434 CG TYR A 27 7.767 10.309 3.115 1.00 0.00 C ATOM 435 CD1 TYR A 27 7.327 11.617 3.411 1.00 0.00 C ATOM 436 CD2 TYR A 27 7.562 9.290 4.062 1.00 0.00 C ATOM 437 CE1 TYR A 27 6.778 11.920 4.669 1.00 0.00 C ATOM 438 CE2 TYR A 27 6.937 9.573 5.293 1.00 0.00 C ATOM 439 CZ TYR A 27 6.581 10.898 5.618 1.00 0.00 C ATOM 440 OH TYR A 27 6.041 11.197 6.828 1.00 0.00 O ATOM 0 H TYR A 27 10.711 9.185 2.337 1.00 0.00 H new ATOM 0 HA TYR A 27 9.531 10.591 0.149 1.00 0.00 H new ATOM 0 HB2 TYR A 27 7.531 10.181 1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.470 8.879 1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.413 12.392 2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.886 8.283 3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.507 12.938 4.908 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.730 8.773 5.989 1.00 0.00 H new ATOM 0 HH TYR A 27 5.971 10.381 7.366 1.00 0.00 H new ATOM 450 N ASP A 28 10.467 12.467 2.651 1.00 0.00 N ATOM 451 CA ASP A 28 10.736 13.861 3.015 1.00 0.00 C ATOM 452 C ASP A 28 11.553 14.604 1.938 1.00 0.00 C ATOM 453 O ASP A 28 11.334 15.800 1.735 1.00 0.00 O ATOM 454 CB ASP A 28 11.418 13.893 4.392 1.00 0.00 C ATOM 455 CG ASP A 28 11.416 15.283 5.028 1.00 0.00 C ATOM 456 OD1 ASP A 28 12.500 15.913 5.100 1.00 0.00 O ATOM 457 OD2 ASP A 28 10.348 15.703 5.538 1.00 0.00 O ATOM 0 H ASP A 28 10.893 11.788 3.282 1.00 0.00 H new ATOM 0 HA ASP A 28 9.790 14.399 3.076 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.912 13.194 5.058 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.447 13.548 4.290 1.00 0.00 H new ATOM 463 N GLN A 29 12.412 13.914 1.169 1.00 0.00 N ATOM 464 CA GLN A 29 13.096 14.517 0.010 1.00 0.00 C ATOM 465 C GLN A 29 12.135 14.781 -1.163 1.00 0.00 C ATOM 466 O GLN A 29 12.323 15.759 -1.893 1.00 0.00 O ATOM 467 CB GLN A 29 14.291 13.677 -0.489 1.00 0.00 C ATOM 468 CG GLN A 29 15.408 13.343 0.514 1.00 0.00 C ATOM 469 CD GLN A 29 15.691 14.447 1.529 1.00 0.00 C ATOM 470 OE1 GLN A 29 16.299 15.474 1.226 1.00 0.00 O ATOM 471 NE2 GLN A 29 15.216 14.301 2.747 1.00 0.00 N ATOM 0 H GLN A 29 12.650 12.935 1.329 1.00 0.00 H new ATOM 0 HA GLN A 29 13.479 15.470 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 29 13.899 12.737 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 29 14.743 14.205 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.139 12.433 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.324 13.129 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.712 13.451 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.352 15.038 3.439 1.00 0.00 H new ATOM 480 N LEU A 30 11.077 13.972 -1.328 1.00 0.00 N ATOM 481 CA LEU A 30 10.017 14.275 -2.304 1.00 0.00 C ATOM 482 C LEU A 30 9.334 15.595 -1.942 1.00 0.00 C ATOM 483 O LEU A 30 9.282 16.499 -2.769 1.00 0.00 O ATOM 484 CB LEU A 30 8.943 13.168 -2.405 1.00 0.00 C ATOM 485 CG LEU A 30 9.454 11.754 -2.704 1.00 0.00 C ATOM 486 CD1 LEU A 30 8.291 10.763 -2.654 1.00 0.00 C ATOM 487 CD2 LEU A 30 10.078 11.668 -4.095 1.00 0.00 C ATOM 0 H LEU A 30 10.932 13.109 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 30 10.508 14.344 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.390 13.141 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.235 13.448 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 30 10.207 11.515 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.659 9.759 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.840 10.781 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.544 11.041 -3.397 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.430 10.652 -4.274 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.332 11.931 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.918 12.359 -4.160 1.00 0.00 H new ATOM 499 N ILE A 31 8.847 15.712 -0.702 1.00 0.00 N ATOM 500 CA ILE A 31 8.004 16.832 -0.247 1.00 0.00 C ATOM 501 C ILE A 31 8.822 18.124 -0.054 1.00 0.00 C ATOM 502 O ILE A 31 8.314 19.220 -0.290 1.00 0.00 O ATOM 503 CB ILE A 31 7.201 16.413 1.009 1.00 0.00 C ATOM 504 CG1 ILE A 31 6.347 15.151 0.706 1.00 0.00 C ATOM 505 CG2 ILE A 31 6.300 17.563 1.496 1.00 0.00 C ATOM 506 CD1 ILE A 31 5.514 14.636 1.886 1.00 0.00 C ATOM 0 H ILE A 31 9.028 15.023 0.028 1.00 0.00 H new ATOM 0 HA ILE A 31 7.279 17.071 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 31 7.910 16.177 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.676 15.375 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.010 14.353 0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.747 17.243 2.379 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.916 18.427 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.598 17.835 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.953 13.754 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.176 14.375 2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.821 15.413 2.208 1.00 0.00 H new ATOM 518 N THR A 32 10.115 18.022 0.273 1.00 0.00 N ATOM 519 CA THR A 32 11.021 19.187 0.347 1.00 0.00 C ATOM 520 C THR A 32 11.346 19.763 -1.043 1.00 0.00 C ATOM 521 O THR A 32 11.570 20.969 -1.177 1.00 0.00 O ATOM 522 CB THR A 32 12.306 18.836 1.119 1.00 0.00 C ATOM 523 OG1 THR A 32 11.985 18.271 2.374 1.00 0.00 O ATOM 524 CG2 THR A 32 13.162 20.059 1.428 1.00 0.00 C ATOM 0 H THR A 32 10.567 17.135 0.494 1.00 0.00 H new ATOM 0 HA THR A 32 10.495 19.968 0.896 1.00 0.00 H new ATOM 0 HB THR A 32 12.853 18.147 0.475 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.003 17.293 2.307 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.054 19.750 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.455 20.543 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.590 20.760 2.036 1.00 0.00 H new ATOM 532 N ALA A 33 11.301 18.937 -2.097 1.00 0.00 N ATOM 533 CA ALA A 33 11.346 19.398 -3.490 1.00 0.00 C ATOM 534 C ALA A 33 9.958 19.804 -4.045 1.00 0.00 C ATOM 535 O ALA A 33 9.875 20.599 -4.986 1.00 0.00 O ATOM 536 CB ALA A 33 11.992 18.286 -4.329 1.00 0.00 C ATOM 0 H ALA A 33 11.232 17.923 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 33 11.941 20.310 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.040 18.599 -5.372 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.000 18.092 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.395 17.377 -4.250 1.00 0.00 H new ATOM 542 N GLN A 34 8.873 19.243 -3.496 1.00 0.00 N ATOM 543 CA GLN A 34 7.514 19.274 -4.056 1.00 0.00 C ATOM 544 C GLN A 34 6.427 19.390 -2.953 1.00 0.00 C ATOM 545 O GLN A 34 5.778 18.394 -2.621 1.00 0.00 O ATOM 546 CB GLN A 34 7.291 17.982 -4.866 1.00 0.00 C ATOM 547 CG GLN A 34 8.246 17.719 -6.041 1.00 0.00 C ATOM 548 CD GLN A 34 8.217 16.249 -6.431 1.00 0.00 C ATOM 549 OE1 GLN A 34 7.625 15.846 -7.422 1.00 0.00 O ATOM 550 NE2 GLN A 34 8.817 15.396 -5.628 1.00 0.00 N ATOM 0 H GLN A 34 8.919 18.734 -2.613 1.00 0.00 H new ATOM 0 HA GLN A 34 7.424 20.155 -4.691 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.357 17.137 -4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.273 17.998 -5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.960 18.334 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.260 18.008 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 34 9.310 15.734 -4.802 1.00 0.00 H new ATOM 0 HE22 GLN A 34 8.789 14.397 -5.832 1.00 0.00 H new ATOM 559 N PRO A 35 6.180 20.580 -2.372 1.00 0.00 N ATOM 560 CA PRO A 35 5.204 20.747 -1.286 1.00 0.00 C ATOM 561 C PRO A 35 3.738 20.525 -1.674 1.00 0.00 C ATOM 562 O PRO A 35 2.895 20.324 -0.793 1.00 0.00 O ATOM 563 CB PRO A 35 5.342 22.204 -0.838 1.00 0.00 C ATOM 564 CG PRO A 35 6.745 22.602 -1.279 1.00 0.00 C ATOM 565 CD PRO A 35 6.923 21.810 -2.571 1.00 0.00 C ATOM 0 HA PRO A 35 5.423 19.995 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.585 22.836 -1.302 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.221 22.302 0.241 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.828 23.676 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 35 7.495 22.337 -0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 35 6.542 22.365 -3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.976 21.606 -2.765 1.00 0.00 H new ATOM 573 N GLN A 36 3.413 20.654 -2.965 1.00 0.00 N ATOM 574 CA GLN A 36 2.041 20.827 -3.447 1.00 0.00 C ATOM 575 C GLN A 36 1.688 19.927 -4.651 1.00 0.00 C ATOM 576 O GLN A 36 0.514 19.789 -4.986 1.00 0.00 O ATOM 577 CB GLN A 36 1.838 22.319 -3.768 1.00 0.00 C ATOM 578 CG GLN A 36 0.379 22.800 -3.675 1.00 0.00 C ATOM 579 CD GLN A 36 -0.167 22.836 -2.249 1.00 0.00 C ATOM 580 OE1 GLN A 36 -0.927 21.981 -1.806 1.00 0.00 O ATOM 581 NE2 GLN A 36 0.206 23.808 -1.450 1.00 0.00 N ATOM 0 H GLN A 36 4.106 20.641 -3.713 1.00 0.00 H new ATOM 0 HA GLN A 36 1.355 20.508 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.446 22.911 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.208 22.515 -4.774 1.00 0.00 H new ATOM 0 HG2 GLN A 36 0.307 23.798 -4.107 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.249 22.145 -4.279 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.837 24.534 -1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.135 23.838 -0.489 1.00 0.00 H new ATOM 590 N ASN A 37 2.663 19.272 -5.296 1.00 0.00 N ATOM 591 CA ASN A 37 2.384 18.157 -6.208 1.00 0.00 C ATOM 592 C ASN A 37 1.802 16.981 -5.388 1.00 0.00 C ATOM 593 O ASN A 37 2.432 16.555 -4.415 1.00 0.00 O ATOM 594 CB ASN A 37 3.662 17.718 -6.954 1.00 0.00 C ATOM 595 CG ASN A 37 3.831 18.309 -8.340 1.00 0.00 C ATOM 596 OD1 ASN A 37 4.569 19.267 -8.563 1.00 0.00 O ATOM 597 ND2 ASN A 37 3.176 17.715 -9.310 1.00 0.00 N ATOM 0 H ASN A 37 3.654 19.497 -5.202 1.00 0.00 H new ATOM 0 HA ASN A 37 1.662 18.477 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.528 17.991 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.661 16.631 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.274 18.047 -10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.569 16.922 -9.104 1.00 0.00 H new ATOM 604 N PRO A 38 0.655 16.392 -5.777 1.00 0.00 N ATOM 605 CA PRO A 38 0.030 15.298 -5.025 1.00 0.00 C ATOM 606 C PRO A 38 0.910 14.046 -4.893 1.00 0.00 C ATOM 607 O PRO A 38 0.737 13.279 -3.946 1.00 0.00 O ATOM 608 CB PRO A 38 -1.267 14.982 -5.771 1.00 0.00 C ATOM 609 CG PRO A 38 -1.023 15.510 -7.186 1.00 0.00 C ATOM 610 CD PRO A 38 -0.142 16.727 -6.948 1.00 0.00 C ATOM 0 HA PRO A 38 -0.140 15.609 -3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.474 13.912 -5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.123 15.470 -5.306 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.528 14.769 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.955 15.777 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.491 16.931 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.742 17.621 -6.775 1.00 0.00 H new ATOM 618 N VAL A 39 1.883 13.869 -5.795 1.00 0.00 N ATOM 619 CA VAL A 39 2.810 12.725 -5.849 1.00 0.00 C ATOM 620 C VAL A 39 3.589 12.481 -4.544 1.00 0.00 C ATOM 621 O VAL A 39 3.892 11.339 -4.197 1.00 0.00 O ATOM 622 CB VAL A 39 3.760 12.915 -7.049 1.00 0.00 C ATOM 623 CG1 VAL A 39 4.987 13.785 -6.751 1.00 0.00 C ATOM 624 CG2 VAL A 39 4.226 11.565 -7.586 1.00 0.00 C ATOM 0 H VAL A 39 2.056 14.545 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 39 2.211 11.824 -5.978 1.00 0.00 H new ATOM 0 HB VAL A 39 3.170 13.446 -7.796 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.601 13.867 -7.648 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.662 14.778 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.571 13.329 -5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.895 11.721 -8.432 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.754 11.024 -6.801 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.362 10.984 -7.909 1.00 0.00 H new ATOM 634 N GLY A 40 3.895 13.540 -3.784 1.00 0.00 N ATOM 635 CA GLY A 40 4.550 13.409 -2.479 1.00 0.00 C ATOM 636 C GLY A 40 3.610 12.833 -1.414 1.00 0.00 C ATOM 637 O GLY A 40 4.025 12.024 -0.585 1.00 0.00 O ATOM 0 H GLY A 40 3.697 14.503 -4.054 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.424 12.765 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.908 14.386 -2.155 1.00 0.00 H new ATOM 641 N TYR A 41 2.321 13.176 -1.481 1.00 0.00 N ATOM 642 CA TYR A 41 1.303 12.739 -0.525 1.00 0.00 C ATOM 643 C TYR A 41 0.829 11.306 -0.795 1.00 0.00 C ATOM 644 O TYR A 41 0.641 10.534 0.145 1.00 0.00 O ATOM 645 CB TYR A 41 0.123 13.724 -0.542 1.00 0.00 C ATOM 646 CG TYR A 41 0.526 15.105 -0.075 1.00 0.00 C ATOM 647 CD1 TYR A 41 0.544 15.393 1.303 1.00 0.00 C ATOM 648 CD2 TYR A 41 0.984 16.063 -1.001 1.00 0.00 C ATOM 649 CE1 TYR A 41 1.075 16.612 1.759 1.00 0.00 C ATOM 650 CE2 TYR A 41 1.520 17.283 -0.547 1.00 0.00 C ATOM 651 CZ TYR A 41 1.599 17.544 0.838 1.00 0.00 C ATOM 652 OH TYR A 41 2.206 18.671 1.295 1.00 0.00 O ATOM 0 H TYR A 41 1.950 13.777 -2.216 1.00 0.00 H new ATOM 0 HA TYR A 41 1.753 12.733 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -0.281 13.787 -1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.674 13.344 0.097 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.150 14.678 2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.924 15.861 -2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.082 16.836 2.816 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.870 18.018 -1.257 1.00 0.00 H new ATOM 0 HH TYR A 41 2.327 19.301 0.554 1.00 0.00 H new ATOM 662 N SER A 42 0.706 10.904 -2.065 1.00 0.00 N ATOM 663 CA SER A 42 0.425 9.508 -2.429 1.00 0.00 C ATOM 664 C SER A 42 1.552 8.553 -2.033 1.00 0.00 C ATOM 665 O SER A 42 1.276 7.398 -1.685 1.00 0.00 O ATOM 666 CB SER A 42 0.136 9.388 -3.926 1.00 0.00 C ATOM 667 OG SER A 42 1.113 10.027 -4.718 1.00 0.00 O ATOM 0 H SER A 42 0.797 11.530 -2.865 1.00 0.00 H new ATOM 0 HA SER A 42 -0.459 9.213 -1.864 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.084 8.334 -4.199 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.841 9.821 -4.140 1.00 0.00 H new ATOM 0 HG SER A 42 1.897 10.234 -4.167 1.00 0.00 H new ATOM 673 N ASN A 43 2.801 9.032 -2.018 1.00 0.00 N ATOM 674 CA ASN A 43 3.936 8.269 -1.511 1.00 0.00 C ATOM 675 C ASN A 43 4.026 8.282 0.028 1.00 0.00 C ATOM 676 O ASN A 43 4.230 7.224 0.623 1.00 0.00 O ATOM 677 CB ASN A 43 5.220 8.756 -2.193 1.00 0.00 C ATOM 678 CG ASN A 43 6.329 7.751 -1.971 1.00 0.00 C ATOM 679 OD1 ASN A 43 7.256 7.956 -1.210 1.00 0.00 O ATOM 680 ND2 ASN A 43 6.248 6.608 -2.609 1.00 0.00 N ATOM 0 H ASN A 43 3.049 9.961 -2.358 1.00 0.00 H new ATOM 0 HA ASN A 43 3.791 7.219 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.047 8.891 -3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.510 9.727 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.961 5.893 -2.467 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.472 6.434 -3.247 1.00 0.00 H new ATOM 687 N LYS A 44 3.761 9.422 0.690 1.00 0.00 N ATOM 688 CA LYS A 44 3.633 9.508 2.161 1.00 0.00 C ATOM 689 C LYS A 44 2.542 8.568 2.695 1.00 0.00 C ATOM 690 O LYS A 44 2.775 7.865 3.674 1.00 0.00 O ATOM 691 CB LYS A 44 3.409 10.976 2.576 1.00 0.00 C ATOM 692 CG LYS A 44 3.258 11.169 4.095 1.00 0.00 C ATOM 693 CD LYS A 44 3.256 12.656 4.497 1.00 0.00 C ATOM 694 CE LYS A 44 3.067 12.801 6.014 1.00 0.00 C ATOM 695 NZ LYS A 44 3.044 14.219 6.448 1.00 0.00 N ATOM 0 H LYS A 44 3.628 10.317 0.219 1.00 0.00 H new ATOM 0 HA LYS A 44 4.562 9.167 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.247 11.577 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.515 11.353 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.330 10.703 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.073 10.657 4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.194 13.122 4.195 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.457 13.180 3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.135 12.318 6.309 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.873 12.279 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.914 14.264 7.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.943 14.675 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.259 14.713 5.978 1.00 0.00 H new ATOM 709 N ALA A 45 1.402 8.455 2.012 1.00 0.00 N ATOM 710 CA ALA A 45 0.369 7.468 2.339 1.00 0.00 C ATOM 711 C ALA A 45 0.865 6.008 2.218 1.00 0.00 C ATOM 712 O ALA A 45 0.514 5.172 3.049 1.00 0.00 O ATOM 713 CB ALA A 45 -0.850 7.732 1.450 1.00 0.00 C ATOM 0 H ALA A 45 1.167 9.046 1.215 1.00 0.00 H new ATOM 0 HA ALA A 45 0.096 7.585 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.631 7.007 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.224 8.739 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.563 7.639 0.402 1.00 0.00 H new ATOM 719 N MET A 46 1.728 5.707 1.236 1.00 0.00 N ATOM 720 CA MET A 46 2.389 4.400 1.111 1.00 0.00 C ATOM 721 C MET A 46 3.363 4.137 2.268 1.00 0.00 C ATOM 722 O MET A 46 3.321 3.069 2.875 1.00 0.00 O ATOM 723 CB MET A 46 3.119 4.282 -0.240 1.00 0.00 C ATOM 724 CG MET A 46 2.554 3.139 -1.082 1.00 0.00 C ATOM 725 SD MET A 46 2.593 1.482 -0.357 1.00 0.00 S ATOM 726 CE MET A 46 1.609 0.632 -1.624 1.00 0.00 C ATOM 0 H MET A 46 1.988 6.367 0.503 1.00 0.00 H new ATOM 0 HA MET A 46 1.609 3.640 1.157 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.027 5.220 -0.788 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.183 4.117 -0.067 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.518 3.378 -1.324 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.103 3.109 -2.023 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.852 -0.431 -1.621 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.548 0.763 -1.409 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.835 1.053 -2.604 1.00 0.00 H new ATOM 736 N ALA A 47 4.196 5.122 2.618 1.00 0.00 N ATOM 737 CA ALA A 47 5.098 5.043 3.768 1.00 0.00 C ATOM 738 C ALA A 47 4.326 4.788 5.074 1.00 0.00 C ATOM 739 O ALA A 47 4.710 3.920 5.854 1.00 0.00 O ATOM 740 CB ALA A 47 5.919 6.340 3.830 1.00 0.00 C ATOM 0 H ALA A 47 4.263 6.002 2.107 1.00 0.00 H new ATOM 0 HA ALA A 47 5.773 4.196 3.648 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.598 6.300 4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.495 6.450 2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.247 7.191 3.941 1.00 0.00 H new ATOM 746 N LEU A 48 3.193 5.468 5.275 1.00 0.00 N ATOM 747 CA LEU A 48 2.326 5.269 6.436 1.00 0.00 C ATOM 748 C LEU A 48 1.776 3.832 6.516 1.00 0.00 C ATOM 749 O LEU A 48 1.856 3.234 7.587 1.00 0.00 O ATOM 750 CB LEU A 48 1.217 6.340 6.437 1.00 0.00 C ATOM 751 CG LEU A 48 1.724 7.756 6.795 1.00 0.00 C ATOM 752 CD1 LEU A 48 0.685 8.807 6.397 1.00 0.00 C ATOM 753 CD2 LEU A 48 2.019 7.907 8.289 1.00 0.00 C ATOM 0 H LEU A 48 2.850 6.179 4.629 1.00 0.00 H new ATOM 0 HA LEU A 48 2.918 5.394 7.343 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.750 6.369 5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.444 6.050 7.148 1.00 0.00 H new ATOM 0 HG LEU A 48 2.652 7.905 6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.054 9.800 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.506 8.754 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.247 8.617 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.372 8.918 8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.110 7.720 8.860 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.786 7.190 8.583 1.00 0.00 H new ATOM 765 N ILE A 49 1.313 3.211 5.418 1.00 0.00 N ATOM 766 CA ILE A 49 0.882 1.793 5.466 1.00 0.00 C ATOM 767 C ILE A 49 2.049 0.799 5.593 1.00 0.00 C ATOM 768 O ILE A 49 1.875 -0.261 6.195 1.00 0.00 O ATOM 769 CB ILE A 49 -0.086 1.394 4.329 1.00 0.00 C ATOM 770 CG1 ILE A 49 0.538 1.379 2.919 1.00 0.00 C ATOM 771 CG2 ILE A 49 -1.325 2.303 4.365 1.00 0.00 C ATOM 772 CD1 ILE A 49 -0.396 0.782 1.855 1.00 0.00 C ATOM 0 H ILE A 49 1.226 3.652 4.502 1.00 0.00 H new ATOM 0 HA ILE A 49 0.311 1.723 6.392 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.364 0.358 4.521 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.801 2.397 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.465 0.806 2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.007 2.021 3.563 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.829 2.193 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.019 3.341 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 49 0.100 0.799 0.884 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.639 -0.247 2.120 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.313 1.370 1.805 1.00 0.00 H new ATOM 784 N LYS A 50 3.252 1.146 5.112 1.00 0.00 N ATOM 785 CA LYS A 50 4.470 0.323 5.265 1.00 0.00 C ATOM 786 C LYS A 50 5.113 0.442 6.668 1.00 0.00 C ATOM 787 O LYS A 50 5.829 -0.467 7.092 1.00 0.00 O ATOM 788 CB LYS A 50 5.430 0.602 4.076 1.00 0.00 C ATOM 789 CG LYS A 50 5.987 -0.660 3.390 1.00 0.00 C ATOM 790 CD LYS A 50 4.950 -1.592 2.737 1.00 0.00 C ATOM 791 CE LYS A 50 4.145 -0.948 1.600 1.00 0.00 C ATOM 792 NZ LYS A 50 3.146 -1.906 1.069 1.00 0.00 N ATOM 0 H LYS A 50 3.413 2.014 4.600 1.00 0.00 H new ATOM 0 HA LYS A 50 4.199 -0.732 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.902 1.200 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.266 1.203 4.434 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.698 -0.349 2.625 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.546 -1.234 4.129 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.464 -2.472 2.349 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.258 -1.939 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.642 -0.052 1.964 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.818 -0.634 0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.411 -1.387 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.616 -2.578 0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.710 -2.425 1.857 1.00 0.00 H new ATOM 806 N LEU A 51 4.767 1.481 7.440 1.00 0.00 N ATOM 807 CA LEU A 51 5.032 1.637 8.887 1.00 0.00 C ATOM 808 C LEU A 51 3.870 1.088 9.753 1.00 0.00 C ATOM 809 O LEU A 51 4.031 0.811 10.945 1.00 0.00 O ATOM 810 CB LEU A 51 5.304 3.137 9.163 1.00 0.00 C ATOM 811 CG LEU A 51 6.418 3.454 10.181 1.00 0.00 C ATOM 812 CD1 LEU A 51 6.673 4.964 10.194 1.00 0.00 C ATOM 813 CD2 LEU A 51 6.111 3.028 11.614 1.00 0.00 C ATOM 0 H LEU A 51 4.267 2.283 7.056 1.00 0.00 H new ATOM 0 HA LEU A 51 5.905 1.048 9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.557 3.618 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.379 3.593 9.515 1.00 0.00 H new ATOM 0 HG LEU A 51 7.284 2.880 9.852 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.460 5.194 10.912 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.982 5.289 9.201 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.759 5.485 10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.949 3.290 12.259 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.213 3.539 11.961 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.951 1.950 11.647 1.00 0.00 H new ATOM 825 N GLY A 52 2.688 0.896 9.159 1.00 0.00 N ATOM 826 CA GLY A 52 1.497 0.352 9.814 1.00 0.00 C ATOM 827 C GLY A 52 0.617 1.389 10.529 1.00 0.00 C ATOM 828 O GLY A 52 -0.019 1.063 11.531 1.00 0.00 O ATOM 0 H GLY A 52 2.530 1.123 8.177 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.892 -0.161 9.066 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.811 -0.398 10.540 1.00 0.00 H new ATOM 832 N GLU A 53 0.596 2.631 10.040 1.00 0.00 N ATOM 833 CA GLU A 53 -0.247 3.762 10.471 1.00 0.00 C ATOM 834 C GLU A 53 -1.417 3.944 9.480 1.00 0.00 C ATOM 835 O GLU A 53 -1.633 5.018 8.910 1.00 0.00 O ATOM 836 CB GLU A 53 0.605 5.044 10.613 1.00 0.00 C ATOM 837 CG GLU A 53 1.865 4.949 11.492 1.00 0.00 C ATOM 838 CD GLU A 53 1.563 5.228 12.965 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.802 4.445 13.590 1.00 0.00 O ATOM 840 OE2 GLU A 53 2.098 6.226 13.510 1.00 0.00 O ATOM 0 H GLU A 53 1.213 2.899 9.273 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.672 3.552 11.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.910 5.361 9.616 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.032 5.831 11.017 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.300 3.955 11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.610 5.660 11.134 1.00 0.00 H new ATOM 848 N TYR A 54 -2.162 2.863 9.217 1.00 0.00 N ATOM 849 CA TYR A 54 -3.177 2.804 8.156 1.00 0.00 C ATOM 850 C TYR A 54 -4.276 3.866 8.335 1.00 0.00 C ATOM 851 O TYR A 54 -4.686 4.498 7.361 1.00 0.00 O ATOM 852 CB TYR A 54 -3.782 1.389 8.066 1.00 0.00 C ATOM 853 CG TYR A 54 -2.805 0.231 8.197 1.00 0.00 C ATOM 854 CD1 TYR A 54 -2.090 -0.241 7.080 1.00 0.00 C ATOM 855 CD2 TYR A 54 -2.632 -0.393 9.448 1.00 0.00 C ATOM 856 CE1 TYR A 54 -1.167 -1.296 7.227 1.00 0.00 C ATOM 857 CE2 TYR A 54 -1.724 -1.456 9.594 1.00 0.00 C ATOM 858 CZ TYR A 54 -0.973 -1.900 8.486 1.00 0.00 C ATOM 859 OH TYR A 54 -0.046 -2.878 8.644 1.00 0.00 O ATOM 0 H TYR A 54 -2.076 1.993 9.742 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.675 3.030 7.215 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.538 1.289 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -4.296 1.297 7.109 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.249 0.206 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.201 -0.052 10.301 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.606 -1.643 6.372 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.601 -1.933 10.555 1.00 0.00 H new ATOM 0 HH TYR A 54 -0.045 -3.181 9.576 1.00 0.00 H new ATOM 869 N THR A 55 -4.676 4.151 9.583 1.00 0.00 N ATOM 870 CA THR A 55 -5.641 5.216 9.920 1.00 0.00 C ATOM 871 C THR A 55 -5.157 6.624 9.533 1.00 0.00 C ATOM 872 O THR A 55 -5.980 7.511 9.301 1.00 0.00 O ATOM 873 CB THR A 55 -6.000 5.172 11.414 1.00 0.00 C ATOM 874 OG1 THR A 55 -6.315 3.850 11.786 1.00 0.00 O ATOM 875 CG2 THR A 55 -7.231 6.007 11.769 1.00 0.00 C ATOM 0 H THR A 55 -4.336 3.643 10.400 1.00 0.00 H new ATOM 0 HA THR A 55 -6.531 5.016 9.324 1.00 0.00 H new ATOM 0 HB THR A 55 -5.129 5.570 11.935 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.542 3.824 12.739 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.427 5.930 12.839 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.051 7.050 11.507 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.094 5.637 11.215 1.00 0.00 H new ATOM 883 N GLN A 56 -3.844 6.847 9.388 1.00 0.00 N ATOM 884 CA GLN A 56 -3.309 8.109 8.849 1.00 0.00 C ATOM 885 C GLN A 56 -3.357 8.137 7.311 1.00 0.00 C ATOM 886 O GLN A 56 -3.621 9.181 6.710 1.00 0.00 O ATOM 887 CB GLN A 56 -1.868 8.344 9.325 1.00 0.00 C ATOM 888 CG GLN A 56 -1.620 8.075 10.809 1.00 0.00 C ATOM 889 CD GLN A 56 -2.537 8.784 11.790 1.00 0.00 C ATOM 890 OE1 GLN A 56 -3.031 9.890 11.588 1.00 0.00 O ATOM 891 NE2 GLN A 56 -2.772 8.133 12.903 1.00 0.00 N ATOM 0 H GLN A 56 -3.127 6.166 9.638 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.944 8.910 9.227 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.202 7.709 8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.595 9.377 9.109 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.703 7.002 10.979 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.592 8.356 11.039 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.354 7.215 13.055 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -3.373 8.544 13.617 1.00 0.00 H new ATOM 900 N ALA A 57 -3.120 6.995 6.658 1.00 0.00 N ATOM 901 CA ALA A 57 -3.089 6.895 5.198 1.00 0.00 C ATOM 902 C ALA A 57 -4.474 7.083 4.550 1.00 0.00 C ATOM 903 O ALA A 57 -4.583 7.749 3.516 1.00 0.00 O ATOM 904 CB ALA A 57 -2.473 5.545 4.821 1.00 0.00 C ATOM 0 H ALA A 57 -2.943 6.109 7.132 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.479 7.710 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.441 5.450 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.461 5.482 5.221 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.078 4.740 5.238 1.00 0.00 H new ATOM 910 N ILE A 58 -5.539 6.555 5.164 1.00 0.00 N ATOM 911 CA ILE A 58 -6.923 6.689 4.665 1.00 0.00 C ATOM 912 C ILE A 58 -7.446 8.135 4.723 1.00 0.00 C ATOM 913 O ILE A 58 -8.191 8.546 3.833 1.00 0.00 O ATOM 914 CB ILE A 58 -7.868 5.689 5.372 1.00 0.00 C ATOM 915 CG1 ILE A 58 -7.994 5.950 6.890 1.00 0.00 C ATOM 916 CG2 ILE A 58 -7.414 4.249 5.063 1.00 0.00 C ATOM 917 CD1 ILE A 58 -8.794 4.880 7.645 1.00 0.00 C ATOM 0 H ILE A 58 -5.470 6.018 6.028 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.905 6.431 3.606 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.873 5.834 4.976 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.995 6.013 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.469 6.919 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.079 3.543 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.446 4.081 3.987 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.396 4.103 5.423 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.836 5.137 8.704 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -9.806 4.831 7.243 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.309 3.911 7.525 1.00 0.00 H new ATOM 929 N GLN A 59 -6.991 8.941 5.691 1.00 0.00 N ATOM 930 CA GLN A 59 -7.190 10.400 5.688 1.00 0.00 C ATOM 931 C GLN A 59 -6.427 11.052 4.525 1.00 0.00 C ATOM 932 O GLN A 59 -7.011 11.791 3.728 1.00 0.00 O ATOM 933 CB GLN A 59 -6.797 10.973 7.060 1.00 0.00 C ATOM 934 CG GLN A 59 -6.852 12.513 7.168 1.00 0.00 C ATOM 935 CD GLN A 59 -5.600 13.251 6.682 1.00 0.00 C ATOM 936 OE1 GLN A 59 -4.513 12.706 6.554 1.00 0.00 O ATOM 937 NE2 GLN A 59 -5.691 14.529 6.405 1.00 0.00 N ATOM 0 H GLN A 59 -6.473 8.601 6.501 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.243 10.630 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.457 10.548 7.816 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.785 10.644 7.298 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.708 12.870 6.596 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.030 12.781 8.209 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.585 15.010 6.503 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.867 15.043 6.092 1.00 0.00 H new ATOM 946 N MET A 60 -5.140 10.727 4.368 1.00 0.00 N ATOM 947 CA MET A 60 -4.278 11.391 3.387 1.00 0.00 C ATOM 948 C MET A 60 -4.692 11.117 1.934 1.00 0.00 C ATOM 949 O MET A 60 -4.564 11.998 1.086 1.00 0.00 O ATOM 950 CB MET A 60 -2.815 11.022 3.663 1.00 0.00 C ATOM 951 CG MET A 60 -1.861 11.848 2.790 1.00 0.00 C ATOM 952 SD MET A 60 -0.206 12.068 3.490 1.00 0.00 S ATOM 953 CE MET A 60 -0.582 13.318 4.756 1.00 0.00 C ATOM 0 H MET A 60 -4.670 10.003 4.912 1.00 0.00 H new ATOM 0 HA MET A 60 -4.396 12.468 3.506 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.587 11.190 4.716 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.662 9.960 3.470 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.769 11.366 1.817 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.303 12.830 2.619 1.00 0.00 H new ATOM 0 HE1 MET A 60 0.039 14.199 4.593 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.633 13.598 4.690 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.377 12.908 5.745 1.00 0.00 H new ATOM 963 N CYS A 61 -5.265 9.947 1.632 1.00 0.00 N ATOM 964 CA CYS A 61 -5.754 9.656 0.280 1.00 0.00 C ATOM 965 C CYS A 61 -7.030 10.452 -0.072 1.00 0.00 C ATOM 966 O CYS A 61 -7.153 10.931 -1.198 1.00 0.00 O ATOM 967 CB CYS A 61 -5.897 8.140 0.077 1.00 0.00 C ATOM 968 SG CYS A 61 -4.311 7.307 0.365 1.00 0.00 S ATOM 0 H CYS A 61 -5.401 9.190 2.302 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.008 10.004 -0.435 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.651 7.746 0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.244 7.934 -0.936 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.055 7.290 1.639 1.00 0.00 H new ATOM 974 N GLN A 62 -7.930 10.702 0.888 1.00 0.00 N ATOM 975 CA GLN A 62 -9.087 11.596 0.694 1.00 0.00 C ATOM 976 C GLN A 62 -8.674 13.070 0.588 1.00 0.00 C ATOM 977 O GLN A 62 -9.255 13.813 -0.206 1.00 0.00 O ATOM 978 CB GLN A 62 -10.085 11.407 1.847 1.00 0.00 C ATOM 979 CG GLN A 62 -10.731 10.015 1.870 1.00 0.00 C ATOM 980 CD GLN A 62 -11.547 9.822 3.142 1.00 0.00 C ATOM 981 OE1 GLN A 62 -12.699 10.223 3.242 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.968 9.248 4.168 1.00 0.00 N ATOM 0 H GLN A 62 -7.880 10.293 1.821 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.557 11.327 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.572 11.577 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.868 12.162 1.768 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.373 9.892 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -9.958 9.249 1.808 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.008 8.912 4.090 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.477 9.137 5.045 1.00 0.00 H new ATOM 991 N GLN A 63 -7.619 13.471 1.302 1.00 0.00 N ATOM 992 CA GLN A 63 -6.964 14.766 1.117 1.00 0.00 C ATOM 993 C GLN A 63 -6.245 14.866 -0.244 1.00 0.00 C ATOM 994 O GLN A 63 -6.106 15.965 -0.771 1.00 0.00 O ATOM 995 CB GLN A 63 -6.044 15.020 2.327 1.00 0.00 C ATOM 996 CG GLN A 63 -5.246 16.339 2.293 1.00 0.00 C ATOM 997 CD GLN A 63 -3.788 16.121 1.892 1.00 0.00 C ATOM 998 OE1 GLN A 63 -3.497 15.918 0.623 1.00 0.00 O flip ATOM 999 NE2 GLN A 63 -2.892 16.112 2.728 1.00 0.00 N flip ATOM 0 H GLN A 63 -7.192 12.900 2.031 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.710 15.560 1.082 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.652 15.007 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.339 14.192 2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -5.715 17.028 1.590 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.284 16.810 3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.111 16.269 3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.927 15.948 2.440 1.00 0.00 H new ATOM 1008 N GLY A 64 -5.788 13.764 -0.850 1.00 0.00 N ATOM 1009 CA GLY A 64 -5.162 13.769 -2.182 1.00 0.00 C ATOM 1010 C GLY A 64 -6.150 13.697 -3.359 1.00 0.00 C ATOM 1011 O GLY A 64 -5.847 14.219 -4.427 1.00 0.00 O ATOM 0 H GLY A 64 -5.841 12.836 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.563 14.674 -2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.476 12.924 -2.249 1.00 0.00 H new ATOM 1015 N LEU A 65 -7.371 13.171 -3.169 1.00 0.00 N ATOM 1016 CA LEU A 65 -8.479 13.306 -4.141 1.00 0.00 C ATOM 1017 C LEU A 65 -8.775 14.780 -4.500 1.00 0.00 C ATOM 1018 O LEU A 65 -9.175 15.067 -5.632 1.00 0.00 O ATOM 1019 CB LEU A 65 -9.744 12.625 -3.577 1.00 0.00 C ATOM 1020 CG LEU A 65 -9.894 11.154 -4.001 1.00 0.00 C ATOM 1021 CD1 LEU A 65 -11.041 10.504 -3.227 1.00 0.00 C ATOM 1022 CD2 LEU A 65 -10.208 11.044 -5.498 1.00 0.00 C ATOM 0 H LEU A 65 -7.623 12.638 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.172 12.814 -5.064 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.721 12.680 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.622 13.180 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.952 10.649 -3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.142 9.462 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.831 10.550 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.969 11.035 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.309 9.994 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.140 11.567 -5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.398 11.493 -6.074 1.00 0.00 H new ATOM 1034 N ARG A 66 -8.485 15.709 -3.577 1.00 0.00 N ATOM 1035 CA ARG A 66 -8.582 17.180 -3.745 1.00 0.00 C ATOM 1036 C ARG A 66 -7.632 17.801 -4.791 1.00 0.00 C ATOM 1037 O ARG A 66 -7.656 19.017 -4.999 1.00 0.00 O ATOM 1038 CB ARG A 66 -8.329 17.878 -2.395 1.00 0.00 C ATOM 1039 CG ARG A 66 -9.158 17.352 -1.215 1.00 0.00 C ATOM 1040 CD ARG A 66 -8.716 18.085 0.051 1.00 0.00 C ATOM 1041 NE ARG A 66 -9.507 17.685 1.221 1.00 0.00 N ATOM 1042 CZ ARG A 66 -9.442 18.238 2.415 1.00 0.00 C ATOM 1043 NH1 ARG A 66 -8.539 19.122 2.734 1.00 0.00 N ATOM 1044 NH2 ARG A 66 -10.318 17.878 3.301 1.00 0.00 N ATOM 0 H ARG A 66 -8.160 15.450 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.593 17.343 -4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.272 17.779 -2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.531 18.943 -2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.221 17.515 -1.396 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.015 16.278 -1.100 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.662 17.881 0.239 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.811 19.160 -0.101 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.163 16.913 1.099 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.844 19.412 2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.527 19.524 3.672 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.029 17.186 3.064 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.296 18.287 4.235 1.00 0.00 H new ATOM 1058 N TYR A 67 -6.770 17.001 -5.419 1.00 0.00 N ATOM 1059 CA TYR A 67 -5.717 17.429 -6.351 1.00 0.00 C ATOM 1060 C TYR A 67 -5.922 16.846 -7.769 1.00 0.00 C ATOM 1061 O TYR A 67 -4.951 16.579 -8.473 1.00 0.00 O ATOM 1062 CB TYR A 67 -4.347 17.046 -5.757 1.00 0.00 C ATOM 1063 CG TYR A 67 -3.893 17.807 -4.519 1.00 0.00 C ATOM 1064 CD1 TYR A 67 -4.434 17.523 -3.248 1.00 0.00 C ATOM 1065 CD2 TYR A 67 -2.869 18.767 -4.636 1.00 0.00 C ATOM 1066 CE1 TYR A 67 -3.966 18.209 -2.108 1.00 0.00 C ATOM 1067 CE2 TYR A 67 -2.388 19.441 -3.500 1.00 0.00 C ATOM 1068 CZ TYR A 67 -2.935 19.163 -2.233 1.00 0.00 C ATOM 1069 OH TYR A 67 -2.456 19.812 -1.139 1.00 0.00 O ATOM 0 H TYR A 67 -6.784 15.990 -5.288 1.00 0.00 H new ATOM 0 HA TYR A 67 -5.764 18.511 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.369 15.984 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.592 17.179 -6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.209 16.778 -3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.450 18.987 -5.607 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.397 18.004 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.599 20.172 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.866 20.541 -1.423 1.00 0.00 H new ATOM 1079 N THR A 68 -7.163 16.558 -8.185 1.00 0.00 N ATOM 1080 CA THR A 68 -7.433 15.645 -9.320 1.00 0.00 C ATOM 1081 C THR A 68 -8.263 16.213 -10.473 1.00 0.00 C ATOM 1082 O THR A 68 -8.322 15.583 -11.528 1.00 0.00 O ATOM 1083 CB THR A 68 -8.086 14.343 -8.847 1.00 0.00 C ATOM 1084 OG1 THR A 68 -9.352 14.587 -8.274 1.00 0.00 O ATOM 1085 CG2 THR A 68 -7.234 13.563 -7.848 1.00 0.00 C ATOM 0 H THR A 68 -8.004 16.943 -7.754 1.00 0.00 H new ATOM 0 HA THR A 68 -6.437 15.471 -9.727 1.00 0.00 H new ATOM 0 HB THR A 68 -8.190 13.732 -9.743 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.253 14.724 -7.309 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.758 12.653 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.281 13.302 -8.308 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.054 14.177 -6.966 1.00 0.00 H new ATOM 1093 N SER A 69 -8.864 17.398 -10.334 1.00 0.00 N ATOM 1094 CA SER A 69 -9.769 18.019 -11.329 1.00 0.00 C ATOM 1095 C SER A 69 -9.068 18.642 -12.560 1.00 0.00 C ATOM 1096 O SER A 69 -9.515 19.648 -13.123 1.00 0.00 O ATOM 1097 CB SER A 69 -10.732 18.983 -10.621 1.00 0.00 C ATOM 1098 OG SER A 69 -10.036 19.927 -9.817 1.00 0.00 O ATOM 0 H SER A 69 -8.736 17.976 -9.504 1.00 0.00 H new ATOM 0 HA SER A 69 -10.347 17.210 -11.775 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.331 19.510 -11.364 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.423 18.415 -9.999 1.00 0.00 H new ATOM 0 HG SER A 69 -10.680 20.525 -9.383 1.00 0.00 H new ATOM 1104 N THR A 70 -7.950 18.044 -12.976 1.00 0.00 N ATOM 1105 CA THR A 70 -7.049 18.467 -14.061 1.00 0.00 C ATOM 1106 C THR A 70 -6.421 17.247 -14.748 1.00 0.00 C ATOM 1107 O THR A 70 -6.110 16.247 -14.089 1.00 0.00 O ATOM 1108 CB THR A 70 -5.962 19.427 -13.536 1.00 0.00 C ATOM 1109 OG1 THR A 70 -4.948 19.651 -14.495 1.00 0.00 O ATOM 1110 CG2 THR A 70 -5.246 18.904 -12.295 1.00 0.00 C ATOM 0 H THR A 70 -7.622 17.186 -12.532 1.00 0.00 H new ATOM 0 HA THR A 70 -7.639 19.008 -14.801 1.00 0.00 H new ATOM 0 HB THR A 70 -6.508 20.341 -13.304 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.279 20.265 -14.126 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.494 19.626 -11.977 1.00 0.00 H new ATOM 0 HG22 THR A 70 -5.969 18.756 -11.493 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.762 17.955 -12.527 1.00 0.00 H new ATOM 1118 N ALA A 71 -6.201 17.310 -16.064 1.00 0.00 N ATOM 1119 CA ALA A 71 -5.573 16.230 -16.836 1.00 0.00 C ATOM 1120 C ALA A 71 -4.128 15.911 -16.387 1.00 0.00 C ATOM 1121 O ALA A 71 -3.655 14.788 -16.568 1.00 0.00 O ATOM 1122 CB ALA A 71 -5.631 16.600 -18.323 1.00 0.00 C ATOM 0 H ALA A 71 -6.456 18.119 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.132 15.312 -16.653 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.169 15.809 -18.913 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.671 16.720 -18.628 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.095 17.535 -18.486 1.00 0.00 H new ATOM 1128 N GLU A 72 -3.449 16.852 -15.718 1.00 0.00 N ATOM 1129 CA GLU A 72 -2.120 16.651 -15.113 1.00 0.00 C ATOM 1130 C GLU A 72 -2.111 15.565 -14.017 1.00 0.00 C ATOM 1131 O GLU A 72 -1.075 14.948 -13.748 1.00 0.00 O ATOM 1132 CB GLU A 72 -1.624 18.008 -14.572 1.00 0.00 C ATOM 1133 CG GLU A 72 -0.099 18.107 -14.396 1.00 0.00 C ATOM 1134 CD GLU A 72 0.656 18.113 -15.734 1.00 0.00 C ATOM 1135 OE1 GLU A 72 1.441 17.171 -16.006 1.00 0.00 O ATOM 1136 OE2 GLU A 72 0.485 19.060 -16.542 1.00 0.00 O ATOM 0 H GLU A 72 -3.813 17.794 -15.578 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.441 16.282 -15.882 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.950 18.796 -15.250 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.101 18.197 -13.610 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.140 19.017 -13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.248 17.268 -13.792 1.00 0.00 H new ATOM 1144 N HIS A 73 -3.270 15.280 -13.414 1.00 0.00 N ATOM 1145 CA HIS A 73 -3.433 14.421 -12.238 1.00 0.00 C ATOM 1146 C HIS A 73 -4.517 13.336 -12.427 1.00 0.00 C ATOM 1147 O HIS A 73 -5.033 12.780 -11.456 1.00 0.00 O ATOM 1148 CB HIS A 73 -3.674 15.319 -11.014 1.00 0.00 C ATOM 1149 CG HIS A 73 -2.567 16.311 -10.737 1.00 0.00 C ATOM 1150 ND1 HIS A 73 -1.209 16.082 -10.724 1.00 0.00 N ATOM 1151 CD2 HIS A 73 -2.736 17.635 -10.453 1.00 0.00 C ATOM 1152 CE1 HIS A 73 -0.586 17.239 -10.453 1.00 0.00 C ATOM 1153 NE2 HIS A 73 -1.481 18.225 -10.265 1.00 0.00 N ATOM 0 H HIS A 73 -4.157 15.658 -13.747 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.519 13.848 -12.081 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.606 15.865 -11.158 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.807 14.687 -10.136 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.685 18.145 -10.384 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.485 17.361 -10.394 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -1.286 19.199 -10.034 1.00 0.00 H new ATOM 1162 N VAL A 74 -4.853 12.981 -13.672 1.00 0.00 N ATOM 1163 CA VAL A 74 -5.811 11.896 -13.972 1.00 0.00 C ATOM 1164 C VAL A 74 -5.279 10.507 -13.575 1.00 0.00 C ATOM 1165 O VAL A 74 -6.057 9.629 -13.202 1.00 0.00 O ATOM 1166 CB VAL A 74 -6.249 11.971 -15.450 1.00 0.00 C ATOM 1167 CG1 VAL A 74 -5.157 11.527 -16.433 1.00 0.00 C ATOM 1168 CG2 VAL A 74 -7.523 11.162 -15.704 1.00 0.00 C ATOM 0 H VAL A 74 -4.472 13.433 -14.503 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.696 12.045 -13.353 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.447 13.027 -15.634 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.532 11.605 -17.453 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.282 12.167 -16.318 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.880 10.493 -16.226 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.800 11.239 -16.755 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.347 10.117 -15.451 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -8.332 11.553 -15.086 1.00 0.00 H new ATOM 1178 N ALA A 75 -3.957 10.305 -13.556 1.00 0.00 N ATOM 1179 CA ALA A 75 -3.343 9.076 -13.033 1.00 0.00 C ATOM 1180 C ALA A 75 -3.231 9.095 -11.494 1.00 0.00 C ATOM 1181 O ALA A 75 -3.336 8.051 -10.842 1.00 0.00 O ATOM 1182 CB ALA A 75 -1.985 8.874 -13.712 1.00 0.00 C ATOM 0 H ALA A 75 -3.282 10.987 -13.902 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.985 8.227 -13.268 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.520 7.965 -13.332 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.126 8.786 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.341 9.727 -13.499 1.00 0.00 H new ATOM 1188 N ILE A 76 -3.095 10.287 -10.901 1.00 0.00 N ATOM 1189 CA ILE A 76 -3.164 10.519 -9.448 1.00 0.00 C ATOM 1190 C ILE A 76 -4.579 10.220 -8.908 1.00 0.00 C ATOM 1191 O ILE A 76 -4.727 9.717 -7.793 1.00 0.00 O ATOM 1192 CB ILE A 76 -2.708 11.966 -9.141 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -1.194 12.187 -9.364 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -3.123 12.475 -7.752 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -0.254 11.545 -8.330 1.00 0.00 C ATOM 0 H ILE A 76 -2.929 11.143 -11.431 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.489 9.834 -8.934 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.248 12.566 -9.873 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.933 11.802 -10.350 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.003 13.260 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.765 13.496 -7.617 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.210 12.457 -7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.689 11.834 -6.985 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.781 11.768 -8.591 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.473 11.946 -7.340 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.402 10.465 -8.325 1.00 0.00 H new ATOM 1207 N ARG A 77 -5.629 10.460 -9.706 1.00 0.00 N ATOM 1208 CA ARG A 77 -7.020 10.158 -9.326 1.00 0.00 C ATOM 1209 C ARG A 77 -7.269 8.660 -9.106 1.00 0.00 C ATOM 1210 O ARG A 77 -7.927 8.303 -8.127 1.00 0.00 O ATOM 1211 CB ARG A 77 -7.972 10.785 -10.359 1.00 0.00 C ATOM 1212 CG ARG A 77 -9.407 10.863 -9.816 1.00 0.00 C ATOM 1213 CD ARG A 77 -10.296 11.809 -10.628 1.00 0.00 C ATOM 1214 NE ARG A 77 -10.640 11.272 -11.950 1.00 0.00 N ATOM 1215 CZ ARG A 77 -11.499 11.800 -12.799 1.00 0.00 C ATOM 1216 NH1 ARG A 77 -12.088 12.943 -12.593 1.00 0.00 N ATOM 1217 NH2 ARG A 77 -11.805 11.185 -13.900 1.00 0.00 N ATOM 0 H ARG A 77 -5.539 10.870 -10.636 1.00 0.00 H new ATOM 0 HA ARG A 77 -7.222 10.608 -8.354 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -7.624 11.785 -10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.959 10.195 -11.275 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.847 9.866 -9.819 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -9.381 11.197 -8.779 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -11.212 12.006 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.785 12.764 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.172 10.413 -12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -11.892 13.472 -11.743 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.746 13.309 -13.281 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.379 10.283 -14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.471 11.603 -14.550 1.00 0.00 H new ATOM 1231 N SER A 78 -6.655 7.798 -9.922 1.00 0.00 N ATOM 1232 CA SER A 78 -6.561 6.355 -9.661 1.00 0.00 C ATOM 1233 C SER A 78 -5.674 6.040 -8.454 1.00 0.00 C ATOM 1234 O SER A 78 -6.080 5.264 -7.588 1.00 0.00 O ATOM 1235 CB SER A 78 -5.994 5.626 -10.880 1.00 0.00 C ATOM 1236 OG SER A 78 -6.906 5.627 -11.959 1.00 0.00 O ATOM 0 H SER A 78 -6.204 8.083 -10.791 1.00 0.00 H new ATOM 0 HA SER A 78 -7.574 6.013 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.064 6.103 -11.189 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.751 4.598 -10.609 1.00 0.00 H new ATOM 0 HG SER A 78 -6.511 5.155 -12.721 1.00 0.00 H new ATOM 1242 N LYS A 79 -4.489 6.668 -8.363 1.00 0.00 N ATOM 1243 CA LYS A 79 -3.503 6.442 -7.293 1.00 0.00 C ATOM 1244 C LYS A 79 -4.140 6.544 -5.906 1.00 0.00 C ATOM 1245 O LYS A 79 -4.076 5.581 -5.150 1.00 0.00 O ATOM 1246 CB LYS A 79 -2.319 7.416 -7.474 1.00 0.00 C ATOM 1247 CG LYS A 79 -1.179 7.331 -6.441 1.00 0.00 C ATOM 1248 CD LYS A 79 0.102 6.611 -6.884 1.00 0.00 C ATOM 1249 CE LYS A 79 0.833 7.351 -8.011 1.00 0.00 C ATOM 1250 NZ LYS A 79 2.119 6.697 -8.344 1.00 0.00 N ATOM 0 H LYS A 79 -4.184 7.361 -9.046 1.00 0.00 H new ATOM 0 HA LYS A 79 -3.121 5.424 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.893 7.251 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.712 8.433 -7.462 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.913 8.345 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.562 6.828 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.770 6.507 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.148 5.604 -7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.200 7.383 -8.897 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.015 8.383 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.846 7.423 -8.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.411 6.084 -7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.005 6.124 -9.204 1.00 0.00 H new ATOM 1264 N LEU A 80 -4.795 7.658 -5.560 1.00 0.00 N ATOM 1265 CA LEU A 80 -5.357 7.803 -4.207 1.00 0.00 C ATOM 1266 C LEU A 80 -6.570 6.891 -3.946 1.00 0.00 C ATOM 1267 O LEU A 80 -6.729 6.429 -2.817 1.00 0.00 O ATOM 1268 CB LEU A 80 -5.657 9.277 -3.858 1.00 0.00 C ATOM 1269 CG LEU A 80 -4.457 10.193 -3.520 1.00 0.00 C ATOM 1270 CD1 LEU A 80 -3.316 9.507 -2.765 1.00 0.00 C ATOM 1271 CD2 LEU A 80 -3.855 10.834 -4.767 1.00 0.00 C ATOM 0 H LEU A 80 -4.948 8.455 -6.178 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.577 7.460 -3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.190 9.719 -4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.338 9.289 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.898 10.943 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.521 10.228 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.689 9.117 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.924 8.686 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.016 11.468 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.506 10.055 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.612 11.438 -5.267 1.00 0.00 H new ATOM 1283 N GLN A 81 -7.386 6.567 -4.955 1.00 0.00 N ATOM 1284 CA GLN A 81 -8.528 5.659 -4.770 1.00 0.00 C ATOM 1285 C GLN A 81 -8.090 4.204 -4.550 1.00 0.00 C ATOM 1286 O GLN A 81 -8.600 3.559 -3.632 1.00 0.00 O ATOM 1287 CB GLN A 81 -9.544 5.832 -5.916 1.00 0.00 C ATOM 1288 CG GLN A 81 -10.412 7.062 -5.605 1.00 0.00 C ATOM 1289 CD GLN A 81 -11.341 7.501 -6.731 1.00 0.00 C ATOM 1290 OE1 GLN A 81 -12.554 7.296 -6.696 1.00 0.00 O ATOM 1291 NE2 GLN A 81 -10.815 8.185 -7.720 1.00 0.00 N ATOM 0 H GLN A 81 -7.279 6.918 -5.907 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.039 5.936 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.027 5.962 -6.867 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.166 4.942 -6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -11.014 6.849 -4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.756 7.895 -5.351 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.809 8.353 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.412 8.549 -8.463 1.00 0.00 H new ATOM 1300 N TYR A 82 -7.082 3.704 -5.277 1.00 0.00 N ATOM 1301 CA TYR A 82 -6.550 2.363 -5.001 1.00 0.00 C ATOM 1302 C TYR A 82 -5.732 2.326 -3.697 1.00 0.00 C ATOM 1303 O TYR A 82 -5.808 1.331 -2.982 1.00 0.00 O ATOM 1304 CB TYR A 82 -5.799 1.795 -6.223 1.00 0.00 C ATOM 1305 CG TYR A 82 -4.312 1.579 -6.011 1.00 0.00 C ATOM 1306 CD1 TYR A 82 -3.861 0.429 -5.336 1.00 0.00 C ATOM 1307 CD2 TYR A 82 -3.392 2.556 -6.428 1.00 0.00 C ATOM 1308 CE1 TYR A 82 -2.493 0.269 -5.049 1.00 0.00 C ATOM 1309 CE2 TYR A 82 -2.020 2.399 -6.150 1.00 0.00 C ATOM 1310 CZ TYR A 82 -1.570 1.254 -5.458 1.00 0.00 C ATOM 1311 OH TYR A 82 -0.253 1.131 -5.140 1.00 0.00 O ATOM 0 H TYR A 82 -6.626 4.196 -6.046 1.00 0.00 H new ATOM 0 HA TYR A 82 -7.393 1.694 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -6.254 0.845 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.937 2.474 -7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.567 -0.332 -5.038 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -3.737 3.429 -6.962 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -2.150 -0.606 -4.517 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -1.314 3.153 -6.466 1.00 0.00 H new ATOM 0 HH TYR A 82 0.262 0.937 -5.951 1.00 0.00 H new ATOM 1321 N ARG A 83 -5.014 3.398 -3.314 1.00 0.00 N ATOM 1322 CA ARG A 83 -4.322 3.471 -2.005 1.00 0.00 C ATOM 1323 C ARG A 83 -5.299 3.398 -0.829 1.00 0.00 C ATOM 1324 O ARG A 83 -4.995 2.729 0.155 1.00 0.00 O ATOM 1325 CB ARG A 83 -3.483 4.755 -1.884 1.00 0.00 C ATOM 1326 CG ARG A 83 -2.253 4.809 -2.794 1.00 0.00 C ATOM 1327 CD ARG A 83 -1.040 4.023 -2.276 1.00 0.00 C ATOM 1328 NE ARG A 83 -0.210 3.545 -3.398 1.00 0.00 N ATOM 1329 CZ ARG A 83 0.758 4.164 -4.048 1.00 0.00 C ATOM 1330 NH1 ARG A 83 1.272 5.303 -3.673 1.00 0.00 N ATOM 1331 NH2 ARG A 83 1.233 3.625 -5.129 1.00 0.00 N ATOM 0 H ARG A 83 -4.895 4.230 -3.892 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.664 2.603 -1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.120 5.611 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.157 4.862 -0.850 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.527 4.424 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.963 5.851 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.443 4.657 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.377 3.175 -1.680 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.414 2.598 -3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.926 5.766 -2.833 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.019 5.730 -4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.858 2.737 -5.463 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.981 4.089 -5.644 1.00 0.00 H new ATOM 1345 N LEU A 84 -6.464 4.040 -0.929 1.00 0.00 N ATOM 1346 CA LEU A 84 -7.513 3.994 0.099 1.00 0.00 C ATOM 1347 C LEU A 84 -8.101 2.584 0.267 1.00 0.00 C ATOM 1348 O LEU A 84 -8.351 2.143 1.389 1.00 0.00 O ATOM 1349 CB LEU A 84 -8.579 5.037 -0.283 1.00 0.00 C ATOM 1350 CG LEU A 84 -9.760 5.203 0.692 1.00 0.00 C ATOM 1351 CD1 LEU A 84 -9.333 5.407 2.143 1.00 0.00 C ATOM 1352 CD2 LEU A 84 -10.544 6.455 0.305 1.00 0.00 C ATOM 0 H LEU A 84 -6.712 4.614 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.093 4.237 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.087 6.004 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.979 4.773 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.340 4.283 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.217 5.516 2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.755 4.545 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.721 6.306 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -11.384 6.584 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.891 7.326 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -10.918 6.350 -0.714 1.00 0.00 H new ATOM 1364 N GLU A 85 -8.262 1.852 -0.834 1.00 0.00 N ATOM 1365 CA GLU A 85 -8.646 0.435 -0.805 1.00 0.00 C ATOM 1366 C GLU A 85 -7.518 -0.479 -0.300 1.00 0.00 C ATOM 1367 O GLU A 85 -7.742 -1.295 0.596 1.00 0.00 O ATOM 1368 CB GLU A 85 -9.142 0.006 -2.195 1.00 0.00 C ATOM 1369 CG GLU A 85 -10.569 0.514 -2.445 1.00 0.00 C ATOM 1370 CD GLU A 85 -11.244 -0.185 -3.630 1.00 0.00 C ATOM 1371 OE1 GLU A 85 -10.579 -0.479 -4.653 1.00 0.00 O ATOM 1372 OE2 GLU A 85 -12.472 -0.440 -3.551 1.00 0.00 O ATOM 0 H GLU A 85 -8.130 2.222 -1.775 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.458 0.325 -0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.473 0.396 -2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.119 -1.081 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.168 0.360 -1.548 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.541 1.588 -2.629 1.00 0.00 H new ATOM 1380 N LEU A 86 -6.286 -0.327 -0.788 1.00 0.00 N ATOM 1381 CA LEU A 86 -5.185 -1.197 -0.379 1.00 0.00 C ATOM 1382 C LEU A 86 -4.700 -0.904 1.052 1.00 0.00 C ATOM 1383 O LEU A 86 -4.157 -1.798 1.689 1.00 0.00 O ATOM 1384 CB LEU A 86 -4.065 -1.180 -1.438 1.00 0.00 C ATOM 1385 CG LEU A 86 -3.096 -2.378 -1.322 1.00 0.00 C ATOM 1386 CD1 LEU A 86 -3.793 -3.727 -1.522 1.00 0.00 C ATOM 1387 CD2 LEU A 86 -2.002 -2.289 -2.377 1.00 0.00 C ATOM 0 H LEU A 86 -6.027 0.390 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.556 -2.221 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.514 -1.179 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.499 -0.253 -1.343 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.688 -2.325 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.063 -4.531 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.568 -3.852 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.245 -3.760 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.331 -3.142 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.452 -2.295 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.439 -1.366 -2.240 1.00 0.00 H new ATOM 1399 N ALA A 87 -4.979 0.267 1.631 1.00 0.00 N ATOM 1400 CA ALA A 87 -4.771 0.518 3.061 1.00 0.00 C ATOM 1401 C ALA A 87 -5.680 -0.357 3.953 1.00 0.00 C ATOM 1402 O ALA A 87 -5.225 -0.858 4.988 1.00 0.00 O ATOM 1403 CB ALA A 87 -4.992 2.009 3.341 1.00 0.00 C ATOM 0 H ALA A 87 -5.355 1.067 1.123 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.747 0.243 3.313 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.840 2.206 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.284 2.598 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.009 2.285 3.063 1.00 0.00 H new ATOM 1409 N GLN A 88 -6.934 -0.604 3.539 1.00 0.00 N ATOM 1410 CA GLN A 88 -7.797 -1.597 4.199 1.00 0.00 C ATOM 1411 C GLN A 88 -7.486 -3.052 3.802 1.00 0.00 C ATOM 1412 O GLN A 88 -7.961 -3.967 4.466 1.00 0.00 O ATOM 1413 CB GLN A 88 -9.278 -1.206 4.213 1.00 0.00 C ATOM 1414 CG GLN A 88 -10.046 -1.160 2.896 1.00 0.00 C ATOM 1415 CD GLN A 88 -10.457 -2.527 2.348 1.00 0.00 C ATOM 1416 OE1 GLN A 88 -11.489 -3.081 2.702 1.00 0.00 O ATOM 1417 NE2 GLN A 88 -9.692 -3.120 1.462 1.00 0.00 N ATOM 0 H GLN A 88 -7.373 -0.129 2.750 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.527 -1.574 5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.796 -1.904 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.353 -0.220 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.942 -0.555 3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.432 -0.654 2.151 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.828 -2.674 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.962 -4.027 1.081 1.00 0.00 H new ATOM 1426 N GLY A 89 -6.641 -3.276 2.787 1.00 0.00 N ATOM 1427 CA GLY A 89 -6.023 -4.577 2.465 1.00 0.00 C ATOM 1428 C GLY A 89 -4.766 -4.899 3.295 1.00 0.00 C ATOM 1429 O GLY A 89 -4.606 -6.002 3.821 1.00 0.00 O ATOM 0 H GLY A 89 -6.357 -2.536 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.760 -5.365 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.760 -4.590 1.407 1.00 0.00 H new ATOM 1433 N ALA A 90 -3.886 -3.908 3.461 1.00 0.00 N ATOM 1434 CA ALA A 90 -2.604 -4.002 4.161 1.00 0.00 C ATOM 1435 C ALA A 90 -2.754 -4.160 5.687 1.00 0.00 C ATOM 1436 O ALA A 90 -1.906 -4.791 6.319 1.00 0.00 O ATOM 1437 CB ALA A 90 -1.792 -2.750 3.811 1.00 0.00 C ATOM 0 H ALA A 90 -4.058 -2.973 3.092 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.090 -4.905 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.828 -2.788 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.634 -2.708 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.336 -1.862 4.133 1.00 0.00 H new ATOM 1443 N VAL A 91 -3.833 -3.631 6.282 1.00 0.00 N ATOM 1444 CA VAL A 91 -4.151 -3.858 7.707 1.00 0.00 C ATOM 1445 C VAL A 91 -4.596 -5.303 7.995 1.00 0.00 C ATOM 1446 O VAL A 91 -4.402 -5.803 9.105 1.00 0.00 O ATOM 1447 CB VAL A 91 -5.181 -2.827 8.212 1.00 0.00 C ATOM 1448 CG1 VAL A 91 -6.569 -3.028 7.601 1.00 0.00 C ATOM 1449 CG2 VAL A 91 -5.310 -2.841 9.741 1.00 0.00 C ATOM 0 H VAL A 91 -4.507 -3.038 5.798 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.227 -3.713 8.267 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.794 -1.860 7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.252 -2.274 7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.507 -2.933 6.517 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.939 -4.021 7.857 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.046 -2.099 10.051 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.630 -3.830 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.345 -2.604 10.190 1.00 0.00 H new ATOM 1459 N GLY A 92 -5.166 -6.008 7.013 1.00 0.00 N ATOM 1460 CA GLY A 92 -5.622 -7.393 7.141 1.00 0.00 C ATOM 1461 C GLY A 92 -6.427 -7.848 5.922 1.00 0.00 C ATOM 1462 O GLY A 92 -7.136 -7.060 5.297 1.00 0.00 O ATOM 0 H GLY A 92 -5.327 -5.620 6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.760 -8.048 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.235 -7.491 8.037 1.00 0.00 H new ATOM 1466 N SER A 93 -6.338 -9.132 5.579 1.00 0.00 N ATOM 1467 CA SER A 93 -6.894 -9.686 4.331 1.00 0.00 C ATOM 1468 C SER A 93 -8.428 -9.753 4.301 1.00 0.00 C ATOM 1469 O SER A 93 -9.014 -9.959 3.235 1.00 0.00 O ATOM 1470 CB SER A 93 -6.302 -11.072 4.064 1.00 0.00 C ATOM 1471 OG SER A 93 -4.913 -11.097 4.366 1.00 0.00 O ATOM 0 H SER A 93 -5.874 -9.830 6.161 1.00 0.00 H new ATOM 0 HA SER A 93 -6.609 -8.991 3.541 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.823 -11.816 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.456 -11.343 3.019 1.00 0.00 H new ATOM 0 HG SER A 93 -4.556 -11.992 4.190 1.00 0.00 H new ATOM 1477 N VAL A 94 -9.080 -9.547 5.449 1.00 0.00 N ATOM 1478 CA VAL A 94 -10.506 -9.218 5.584 1.00 0.00 C ATOM 1479 C VAL A 94 -10.633 -7.959 6.447 1.00 0.00 C ATOM 1480 O VAL A 94 -10.044 -7.894 7.528 1.00 0.00 O ATOM 1481 CB VAL A 94 -11.303 -10.383 6.213 1.00 0.00 C ATOM 1482 CG1 VAL A 94 -12.795 -10.050 6.355 1.00 0.00 C ATOM 1483 CG2 VAL A 94 -11.201 -11.662 5.371 1.00 0.00 C ATOM 0 H VAL A 94 -8.609 -9.607 6.352 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.925 -9.042 4.593 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.859 -10.539 7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.316 -10.897 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.913 -9.174 6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.217 -9.842 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.775 -12.457 5.847 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.599 -11.474 4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.157 -11.964 5.294 1.00 0.00 H new ATOM 1493 N GLN A 95 -11.401 -6.965 6.001 1.00 0.00 N ATOM 1494 CA GLN A 95 -11.709 -5.763 6.791 1.00 0.00 C ATOM 1495 C GLN A 95 -13.130 -5.218 6.589 1.00 0.00 C ATOM 1496 O GLN A 95 -13.487 -4.194 7.170 1.00 0.00 O ATOM 1497 CB GLN A 95 -10.613 -4.692 6.589 1.00 0.00 C ATOM 1498 CG GLN A 95 -10.399 -3.839 7.854 1.00 0.00 C ATOM 1499 CD GLN A 95 -10.651 -2.351 7.666 1.00 0.00 C ATOM 1500 OE1 GLN A 95 -9.776 -1.515 7.836 1.00 0.00 O ATOM 1501 NE2 GLN A 95 -11.869 -1.946 7.410 1.00 0.00 N ATOM 0 H GLN A 95 -11.832 -6.967 5.076 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.700 -6.065 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -9.676 -5.179 6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.888 -4.044 5.757 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.057 -4.209 8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.376 -3.979 8.202 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.613 -2.628 7.265 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.074 -0.948 7.355 1.00 0.00 H new ATOM 1510 N ILE A 96 -13.991 -5.936 5.868 1.00 0.00 N ATOM 1511 CA ILE A 96 -15.438 -5.799 6.053 1.00 0.00 C ATOM 1512 C ILE A 96 -15.776 -6.421 7.430 1.00 0.00 C ATOM 1513 O ILE A 96 -15.429 -7.582 7.667 1.00 0.00 O ATOM 1514 CB ILE A 96 -16.191 -6.423 4.860 1.00 0.00 C ATOM 1515 CG1 ILE A 96 -15.888 -5.614 3.572 1.00 0.00 C ATOM 1516 CG2 ILE A 96 -17.704 -6.429 5.124 1.00 0.00 C ATOM 1517 CD1 ILE A 96 -16.334 -6.297 2.276 1.00 0.00 C ATOM 0 H ILE A 96 -13.716 -6.613 5.156 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.763 -4.759 6.065 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.855 -7.452 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.378 -4.643 3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.816 -5.427 3.519 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.220 -6.873 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.915 -7.013 6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.052 -5.406 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.084 -5.663 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.825 -7.256 2.176 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -17.411 -6.460 2.303 1.00 0.00 H new ATOM 1529 N PRO A 97 -16.371 -5.676 8.385 1.00 0.00 N ATOM 1530 CA PRO A 97 -16.567 -6.115 9.776 1.00 0.00 C ATOM 1531 C PRO A 97 -17.694 -7.138 9.975 1.00 0.00 C ATOM 1532 O PRO A 97 -17.825 -7.689 11.068 1.00 0.00 O ATOM 1533 CB PRO A 97 -16.891 -4.833 10.545 1.00 0.00 C ATOM 1534 CG PRO A 97 -17.651 -4.030 9.494 1.00 0.00 C ATOM 1535 CD PRO A 97 -16.805 -4.296 8.255 1.00 0.00 C ATOM 0 HA PRO A 97 -15.672 -6.633 10.120 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.497 -5.028 11.430 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -15.991 -4.319 10.882 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -18.678 -4.376 9.374 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -17.699 -2.969 9.741 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -17.384 -4.149 7.343 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -15.953 -3.617 8.205 1.00 0.00 H new ATOM 1543 N VAL A 98 -18.542 -7.366 8.968 1.00 0.00 N ATOM 1544 CA VAL A 98 -19.762 -8.197 9.068 1.00 0.00 C ATOM 1545 C VAL A 98 -20.713 -7.658 10.154 1.00 0.00 C ATOM 1546 O VAL A 98 -21.191 -8.373 11.044 1.00 0.00 O ATOM 1547 CB VAL A 98 -19.473 -9.715 9.169 1.00 0.00 C ATOM 1548 CG1 VAL A 98 -20.697 -10.534 8.737 1.00 0.00 C ATOM 1549 CG2 VAL A 98 -18.300 -10.160 8.284 1.00 0.00 C ATOM 0 H VAL A 98 -18.403 -6.973 8.037 1.00 0.00 H new ATOM 0 HA VAL A 98 -20.293 -8.104 8.121 1.00 0.00 H new ATOM 0 HB VAL A 98 -19.224 -9.893 10.215 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.470 -11.597 8.816 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -21.542 -10.294 9.383 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -20.950 -10.293 7.704 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -18.145 -11.233 8.397 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -18.524 -9.934 7.242 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -17.396 -9.630 8.584 1.00 0.00 H new ATOM 1559 N VAL A 99 -20.939 -6.343 10.096 1.00 0.00 N ATOM 1560 CA VAL A 99 -22.019 -5.622 10.789 1.00 0.00 C ATOM 1561 C VAL A 99 -22.767 -4.713 9.809 1.00 0.00 C ATOM 1562 O VAL A 99 -22.305 -4.482 8.686 1.00 0.00 O ATOM 1563 CB VAL A 99 -21.548 -4.841 12.040 1.00 0.00 C ATOM 1564 CG1 VAL A 99 -20.827 -5.746 13.047 1.00 0.00 C ATOM 1565 CG2 VAL A 99 -20.648 -3.637 11.732 1.00 0.00 C ATOM 0 H VAL A 99 -20.351 -5.721 9.541 1.00 0.00 H new ATOM 0 HA VAL A 99 -22.705 -6.381 11.166 1.00 0.00 H new ATOM 0 HB VAL A 99 -22.473 -4.460 12.473 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -20.515 -5.155 13.908 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -21.502 -6.536 13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -19.951 -6.190 12.575 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -20.364 -3.147 12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -19.752 -3.976 11.213 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -21.188 -2.931 11.101 1.00 0.00 H new ATOM 1575 N GLU A 100 -23.929 -4.201 10.210 1.00 0.00 N ATOM 1576 CA GLU A 100 -24.803 -3.416 9.330 1.00 0.00 C ATOM 1577 C GLU A 100 -24.152 -2.101 8.862 1.00 0.00 C ATOM 1578 O GLU A 100 -24.032 -1.880 7.656 1.00 0.00 O ATOM 1579 CB GLU A 100 -26.144 -3.161 10.039 1.00 0.00 C ATOM 1580 CG GLU A 100 -27.316 -2.910 9.078 1.00 0.00 C ATOM 1581 CD GLU A 100 -27.792 -4.149 8.304 1.00 0.00 C ATOM 1582 OE1 GLU A 100 -27.253 -5.273 8.482 1.00 0.00 O ATOM 1583 OE2 GLU A 100 -28.738 -4.002 7.490 1.00 0.00 O ATOM 0 H GLU A 100 -24.295 -4.317 11.155 1.00 0.00 H new ATOM 0 HA GLU A 100 -24.978 -3.996 8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -26.380 -4.019 10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.037 -2.300 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -28.155 -2.510 9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -27.022 -2.142 8.362 1.00 0.00 H new ATOM 1591 N VAL A 101 -23.706 -1.258 9.803 1.00 0.00 N ATOM 1592 CA VAL A 101 -23.117 0.070 9.509 1.00 0.00 C ATOM 1593 C VAL A 101 -21.991 0.534 10.449 1.00 0.00 C ATOM 1594 O VAL A 101 -21.179 1.363 10.040 1.00 0.00 O ATOM 1595 CB VAL A 101 -24.198 1.179 9.462 1.00 0.00 C ATOM 1596 CG1 VAL A 101 -25.187 0.995 8.306 1.00 0.00 C ATOM 1597 CG2 VAL A 101 -24.994 1.294 10.768 1.00 0.00 C ATOM 0 H VAL A 101 -23.741 -1.473 10.799 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.661 -0.082 8.531 1.00 0.00 H new ATOM 0 HB VAL A 101 -23.634 2.099 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.921 1.801 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.648 1.016 7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.697 0.038 8.412 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.735 2.087 10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.498 0.349 10.972 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.315 1.528 11.588 1.00 0.00 H new ATOM 1607 N ASP A 102 -21.915 0.048 11.694 1.00 0.00 N ATOM 1608 CA ASP A 102 -21.201 0.758 12.775 1.00 0.00 C ATOM 1609 C ASP A 102 -19.676 0.927 12.580 1.00 0.00 C ATOM 1610 O ASP A 102 -19.139 1.962 12.975 1.00 0.00 O ATOM 1611 CB ASP A 102 -21.495 0.092 14.136 1.00 0.00 C ATOM 1612 CG ASP A 102 -22.746 0.656 14.822 1.00 0.00 C ATOM 1613 OD1 ASP A 102 -23.871 0.164 14.561 1.00 0.00 O ATOM 1614 OD2 ASP A 102 -22.612 1.604 15.640 1.00 0.00 O ATOM 0 H ASP A 102 -22.338 -0.834 11.983 1.00 0.00 H new ATOM 0 HA ASP A 102 -21.596 1.773 12.745 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -21.620 -0.981 13.990 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -20.636 0.226 14.793 1.00 0.00 H new ATOM 1620 N GLU A 103 -18.967 -0.031 11.972 1.00 0.00 N ATOM 1621 CA GLU A 103 -17.487 -0.031 11.876 1.00 0.00 C ATOM 1622 C GLU A 103 -16.956 -0.518 10.509 1.00 0.00 C ATOM 1623 O GLU A 103 -15.963 -1.244 10.416 1.00 0.00 O ATOM 1624 CB GLU A 103 -16.859 -0.761 13.085 1.00 0.00 C ATOM 1625 CG GLU A 103 -17.314 -2.218 13.257 1.00 0.00 C ATOM 1626 CD GLU A 103 -16.502 -2.941 14.337 1.00 0.00 C ATOM 1627 OE1 GLU A 103 -15.717 -3.867 14.014 1.00 0.00 O ATOM 1628 OE2 GLU A 103 -16.669 -2.641 15.544 1.00 0.00 O ATOM 0 H GLU A 103 -19.400 -0.839 11.526 1.00 0.00 H new ATOM 0 HA GLU A 103 -17.160 1.008 11.926 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.774 -0.743 12.981 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.102 -0.209 13.993 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.371 -2.240 13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.210 -2.746 12.309 1.00 0.00 H new ATOM 1636 N LEU A 104 -17.645 -0.142 9.428 1.00 0.00 N ATOM 1637 CA LEU A 104 -17.327 -0.512 8.038 1.00 0.00 C ATOM 1638 C LEU A 104 -15.971 0.053 7.546 1.00 0.00 C ATOM 1639 O LEU A 104 -15.451 1.009 8.136 1.00 0.00 O ATOM 1640 CB LEU A 104 -18.451 0.027 7.133 1.00 0.00 C ATOM 1641 CG LEU A 104 -19.828 -0.633 7.307 1.00 0.00 C ATOM 1642 CD1 LEU A 104 -20.863 0.179 6.525 1.00 0.00 C ATOM 1643 CD2 LEU A 104 -19.842 -2.072 6.800 1.00 0.00 C ATOM 0 H LEU A 104 -18.472 0.451 9.495 1.00 0.00 H new ATOM 0 HA LEU A 104 -17.248 -1.598 7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -18.557 1.096 7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -18.142 -0.090 6.094 1.00 0.00 H new ATOM 0 HG LEU A 104 -20.062 -0.652 8.371 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -21.846 -0.278 6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -20.890 1.199 6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -20.591 0.195 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -20.835 -2.499 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -19.590 -2.087 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -19.111 -2.660 7.355 1.00 0.00 H new ATOM 1655 N PRO A 105 -15.401 -0.473 6.442 1.00 0.00 N ATOM 1656 CA PRO A 105 -14.408 0.250 5.640 1.00 0.00 C ATOM 1657 C PRO A 105 -15.017 1.487 4.947 1.00 0.00 C ATOM 1658 O PRO A 105 -16.227 1.570 4.738 1.00 0.00 O ATOM 1659 CB PRO A 105 -13.885 -0.770 4.624 1.00 0.00 C ATOM 1660 CG PRO A 105 -15.060 -1.730 4.443 1.00 0.00 C ATOM 1661 CD PRO A 105 -15.706 -1.760 5.828 1.00 0.00 C ATOM 0 HA PRO A 105 -13.604 0.643 6.263 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -13.608 -0.294 3.684 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -12.999 -1.286 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -15.756 -1.376 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -14.726 -2.720 4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -16.783 -1.911 5.753 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.310 -2.581 6.426 1.00 0.00 H new ATOM 1669 N GLU A 106 -14.178 2.458 4.578 1.00 0.00 N ATOM 1670 CA GLU A 106 -14.588 3.762 4.035 1.00 0.00 C ATOM 1671 C GLU A 106 -15.356 3.654 2.699 1.00 0.00 C ATOM 1672 O GLU A 106 -14.965 2.916 1.786 1.00 0.00 O ATOM 1673 CB GLU A 106 -13.332 4.653 3.910 1.00 0.00 C ATOM 1674 CG GLU A 106 -13.584 6.124 3.538 1.00 0.00 C ATOM 1675 CD GLU A 106 -14.386 6.885 4.601 1.00 0.00 C ATOM 1676 OE1 GLU A 106 -15.549 7.261 4.319 1.00 0.00 O ATOM 1677 OE2 GLU A 106 -13.884 7.094 5.733 1.00 0.00 O ATOM 0 H GLU A 106 -13.165 2.359 4.649 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.299 4.216 4.725 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -12.795 4.625 4.858 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -12.674 4.216 3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -12.627 6.623 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -14.119 6.166 2.589 1.00 0.00 H new ATOM 1685 N GLY A 107 -16.458 4.408 2.583 1.00 0.00 N ATOM 1686 CA GLY A 107 -17.293 4.532 1.381 1.00 0.00 C ATOM 1687 C GLY A 107 -18.184 3.323 1.052 1.00 0.00 C ATOM 1688 O GLY A 107 -18.887 3.347 0.036 1.00 0.00 O ATOM 0 H GLY A 107 -16.806 4.972 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -17.931 5.408 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -16.641 4.721 0.528 1.00 0.00 H new ATOM 1692 N TYR A 108 -18.164 2.278 1.887 1.00 0.00 N ATOM 1693 CA TYR A 108 -18.894 1.025 1.683 1.00 0.00 C ATOM 1694 C TYR A 108 -20.413 1.208 1.826 1.00 0.00 C ATOM 1695 O TYR A 108 -21.149 0.784 0.929 1.00 0.00 O ATOM 1696 CB TYR A 108 -18.341 -0.035 2.646 1.00 0.00 C ATOM 1697 CG TYR A 108 -18.941 -1.425 2.515 1.00 0.00 C ATOM 1698 CD1 TYR A 108 -20.159 -1.726 3.155 1.00 0.00 C ATOM 1699 CD2 TYR A 108 -18.263 -2.431 1.798 1.00 0.00 C ATOM 1700 CE1 TYR A 108 -20.683 -3.031 3.109 1.00 0.00 C ATOM 1701 CE2 TYR A 108 -18.792 -3.737 1.737 1.00 0.00 C ATOM 1702 CZ TYR A 108 -19.996 -4.041 2.407 1.00 0.00 C ATOM 1703 OH TYR A 108 -20.522 -5.296 2.382 1.00 0.00 O ATOM 0 H TYR A 108 -17.621 2.283 2.751 1.00 0.00 H new ATOM 0 HA TYR A 108 -18.739 0.686 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -17.264 -0.109 2.495 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -18.497 0.313 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -20.694 -0.951 3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -17.336 -2.201 1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -21.611 -3.258 3.612 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -18.276 -4.504 1.178 1.00 0.00 H new ATOM 0 HH TYR A 108 -19.939 -5.885 1.859 1.00 0.00 H new ATOM 1713 N ASP A 109 -20.883 1.858 2.900 1.00 0.00 N ATOM 1714 CA ASP A 109 -22.270 2.335 3.021 1.00 0.00 C ATOM 1715 C ASP A 109 -22.433 3.494 4.036 1.00 0.00 C ATOM 1716 O ASP A 109 -21.527 3.826 4.806 1.00 0.00 O ATOM 1717 CB ASP A 109 -23.238 1.170 3.355 1.00 0.00 C ATOM 1718 CG ASP A 109 -24.680 1.419 2.872 1.00 0.00 C ATOM 1719 OD1 ASP A 109 -24.926 2.424 2.160 1.00 0.00 O ATOM 1720 OD2 ASP A 109 -25.599 0.635 3.219 1.00 0.00 O ATOM 0 H ASP A 109 -20.308 2.070 3.716 1.00 0.00 H new ATOM 0 HA ASP A 109 -22.534 2.740 2.044 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -22.863 0.253 2.900 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -23.246 1.011 4.433 1.00 0.00 H new ATOM 1726 N ARG A 110 -23.617 4.113 4.043 1.00 0.00 N ATOM 1727 CA ARG A 110 -24.058 5.195 4.945 1.00 0.00 C ATOM 1728 C ARG A 110 -25.343 4.803 5.686 1.00 0.00 C ATOM 1729 O ARG A 110 -26.130 4.013 5.157 1.00 0.00 O ATOM 1730 CB ARG A 110 -24.191 6.504 4.144 1.00 0.00 C ATOM 1731 CG ARG A 110 -25.104 6.389 2.904 1.00 0.00 C ATOM 1732 CD ARG A 110 -25.269 7.718 2.153 1.00 0.00 C ATOM 1733 NE ARG A 110 -23.978 8.316 1.770 1.00 0.00 N ATOM 1734 CZ ARG A 110 -23.192 8.004 0.758 1.00 0.00 C ATOM 1735 NH1 ARG A 110 -23.474 7.083 -0.114 1.00 0.00 N ATOM 1736 NH2 ARG A 110 -22.065 8.629 0.619 1.00 0.00 N ATOM 0 H ARG A 110 -24.346 3.859 3.376 1.00 0.00 H new ATOM 0 HA ARG A 110 -23.310 5.361 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -24.582 7.282 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -23.200 6.825 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -24.692 5.643 2.224 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -26.085 6.030 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -25.869 7.553 1.258 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -25.819 8.420 2.780 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.648 9.073 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -24.344 6.556 -0.036 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -22.825 6.887 -0.876 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -21.797 9.351 1.287 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -21.447 8.399 -0.159 1.00 0.00 H new ATOM 1750 N SER A 111 -25.546 5.303 6.910 1.00 0.00 N ATOM 1751 CA SER A 111 -26.616 4.852 7.832 1.00 0.00 C ATOM 1752 C SER A 111 -27.935 5.584 7.651 1.00 0.00 C ATOM 1753 O SER A 111 -27.944 6.834 7.658 1.00 0.00 O ATOM 1754 CB SER A 111 -26.147 4.840 9.290 1.00 0.00 C ATOM 1755 OG SER A 111 -25.528 6.066 9.631 1.00 0.00 O ATOM 1756 OXT SER A 111 -28.971 4.895 7.515 1.00 0.00 O ATOM 0 H SER A 111 -24.966 6.045 7.302 1.00 0.00 H new ATOM 0 HA SER A 111 -26.828 3.820 7.552 1.00 0.00 H new ATOM 0 HB2 SER A 111 -26.997 4.662 9.948 1.00 0.00 H new ATOM 0 HB3 SER A 111 -25.447 4.019 9.444 1.00 0.00 H new ATOM 0 HG SER A 111 -25.238 6.037 10.567 1.00 0.00 H new TER 1762 SER A 111 ATOM 1763 N MET B -4 6.437 5.850 -13.159 1.00 0.00 N ATOM 1764 CA MET B -4 7.262 4.622 -13.190 1.00 0.00 C ATOM 1765 C MET B -4 6.923 3.782 -11.956 1.00 0.00 C ATOM 1766 O MET B -4 5.777 3.796 -11.517 1.00 0.00 O ATOM 1767 CB MET B -4 8.769 4.938 -13.304 1.00 0.00 C ATOM 1768 CG MET B -4 9.148 5.838 -14.490 1.00 0.00 C ATOM 1769 SD MET B -4 10.874 6.408 -14.506 1.00 0.00 S ATOM 1770 CE MET B -4 11.776 4.850 -14.713 1.00 0.00 C ATOM 0 H1 MET B -4 6.471 6.315 -14.089 1.00 0.00 H new ATOM 0 H2 MET B -4 5.453 5.601 -12.932 1.00 0.00 H new ATOM 0 H3 MET B -4 6.806 6.498 -12.434 1.00 0.00 H new ATOM 0 HA MET B -4 7.028 4.045 -14.085 1.00 0.00 H new ATOM 0 HB2 MET B -4 9.096 5.418 -12.382 1.00 0.00 H new ATOM 0 HB3 MET B -4 9.318 4.000 -13.387 1.00 0.00 H new ATOM 0 HG2 MET B -4 8.953 5.295 -15.415 1.00 0.00 H new ATOM 0 HG3 MET B -4 8.494 6.710 -14.488 1.00 0.00 H new ATOM 0 HE1 MET B -4 12.842 5.057 -14.811 1.00 0.00 H new ATOM 0 HE2 MET B -4 11.608 4.214 -13.844 1.00 0.00 H new ATOM 0 HE3 MET B -4 11.422 4.341 -15.609 1.00 0.00 H new ATOM 1781 N GLU B -3 7.867 3.022 -11.399 1.00 0.00 N ATOM 1782 CA GLU B -3 7.624 2.089 -10.289 1.00 0.00 C ATOM 1783 C GLU B -3 7.375 2.794 -8.939 1.00 0.00 C ATOM 1784 O GLU B -3 7.771 3.945 -8.736 1.00 0.00 O ATOM 1785 CB GLU B -3 8.798 1.099 -10.169 1.00 0.00 C ATOM 1786 CG GLU B -3 9.010 0.223 -11.417 1.00 0.00 C ATOM 1787 CD GLU B -3 9.747 0.962 -12.540 1.00 0.00 C ATOM 1788 OE1 GLU B -3 10.950 1.271 -12.364 1.00 0.00 O ATOM 1789 OE2 GLU B -3 9.140 1.232 -13.607 1.00 0.00 O ATOM 0 H GLU B -3 8.839 3.035 -11.709 1.00 0.00 H new ATOM 0 HA GLU B -3 6.706 1.551 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU B -3 9.712 1.658 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU B -3 8.627 0.452 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU B -3 9.576 -0.666 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU B -3 8.042 -0.118 -11.786 1.00 0.00 H new ATOM 1797 N GLU B -2 6.723 2.110 -7.994 1.00 0.00 N ATOM 1798 CA GLU B -2 6.505 2.604 -6.629 1.00 0.00 C ATOM 1799 C GLU B -2 6.412 1.482 -5.580 1.00 0.00 C ATOM 1800 O GLU B -2 5.965 0.366 -5.870 1.00 0.00 O ATOM 1801 CB GLU B -2 5.243 3.493 -6.593 1.00 0.00 C ATOM 1802 CG GLU B -2 4.979 4.106 -5.210 1.00 0.00 C ATOM 1803 CD GLU B -2 4.015 5.290 -5.231 1.00 0.00 C ATOM 1804 OE1 GLU B -2 3.110 5.358 -6.090 1.00 0.00 O ATOM 1805 OE2 GLU B -2 4.050 6.113 -4.290 1.00 0.00 O ATOM 0 H GLU B -2 6.326 1.185 -8.157 1.00 0.00 H new ATOM 0 HA GLU B -2 7.382 3.193 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU B -2 5.349 4.294 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU B -2 4.379 2.900 -6.892 1.00 0.00 H new ATOM 0 HG2 GLU B -2 4.577 3.335 -4.552 1.00 0.00 H new ATOM 0 HG3 GLU B -2 5.927 4.430 -4.780 1.00 0.00 H new ATOM 1813 N VAL B -1 6.778 1.839 -4.341 1.00 0.00 N ATOM 1814 CA VAL B -1 6.532 1.155 -3.057 1.00 0.00 C ATOM 1815 C VAL B -1 5.334 0.199 -3.088 1.00 0.00 C ATOM 1816 O VAL B -1 4.212 0.609 -3.388 1.00 0.00 O ATOM 1817 CB VAL B -1 6.277 2.206 -1.945 1.00 0.00 C ATOM 1818 CG1 VAL B -1 6.185 1.588 -0.543 1.00 0.00 C ATOM 1819 CG2 VAL B -1 7.368 3.282 -1.857 1.00 0.00 C ATOM 0 H VAL B -1 7.306 2.699 -4.195 1.00 0.00 H new ATOM 0 HA VAL B -1 7.425 0.562 -2.858 1.00 0.00 H new ATOM 0 HB VAL B -1 5.326 2.648 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL B -1 6.006 2.374 0.190 1.00 0.00 H new ATOM 0 HG12 VAL B -1 5.364 0.871 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL B -1 7.120 1.079 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL B -1 7.124 3.983 -1.058 1.00 0.00 H new ATOM 0 HG22 VAL B -1 8.328 2.811 -1.646 1.00 0.00 H new ATOM 0 HG23 VAL B -1 7.428 3.818 -2.804 1.00 0.00 H new ATOM 1829 N ASP B 0 5.580 -1.066 -2.743 1.00 0.00 N ATOM 1830 CA ASP B 0 4.579 -2.119 -2.509 1.00 0.00 C ATOM 1831 C ASP B 0 5.157 -3.257 -1.661 1.00 0.00 C ATOM 1832 O ASP B 0 4.491 -3.666 -0.684 1.00 0.00 O ATOM 1833 CB ASP B 0 4.057 -2.649 -3.860 1.00 0.00 C ATOM 1834 CG ASP B 0 2.892 -3.634 -3.728 1.00 0.00 C ATOM 1835 OD1 ASP B 0 1.811 -3.271 -3.204 1.00 0.00 O ATOM 1836 OD2 ASP B 0 3.033 -4.801 -4.165 1.00 0.00 O ATOM 1837 OXT ASP B 0 6.279 -3.729 -1.966 1.00 0.00 O ATOM 0 H ASP B 0 6.533 -1.406 -2.611 1.00 0.00 H new ATOM 0 HA ASP B 0 3.747 -1.690 -1.951 1.00 0.00 H new ATOM 0 HB2 ASP B 0 3.740 -1.805 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP B 0 4.875 -3.137 -4.389 1.00 0.00 H new TER 1843 ASP B 0