USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 822 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: F 23 ASN : amide:sc= -0.506 K(o=-2.7,f=-1.7) USER MOD Set 1.2: F 55 GLN : amide:sc= -2.18 K(o=-2.7,f=-1.7!) USER MOD Set 2.1: E 23 ASN : amide:sc= -2.16! C(o=-6.8!,f=-6.1!) USER MOD Set 2.2: E 55 GLN : amide:sc= -4.6! C(o=-6.8!,f=-5.3!) USER MOD Single : C 16 LYS NZ :NH3+ -162:sc= 1.7 (180deg=0.545) USER MOD Single : C 26 SER OG : rot 180:sc= 0 USER MOD Single : C 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 28 LYS NZ :NH3+ 165:sc= 0.0618 (180deg=-0.000834) USER MOD Single : C 35 MET CE :methyl -159:sc= -0.584 (180deg=-1.32) USER MOD Single : E 18 TYR OH : rot 140:sc= 0.995 USER MOD Single : E 21 ASN : amide:sc= -1.78! X(o=-1.8!,f=-1.8) USER MOD Single : E 26 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.36) USER MOD Single : E 32 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : E 33 SER OG : rot 170:sc= -0.0582 USER MOD Single : E 35 HIS : no HD1:sc= -0.692 X(o=-0.69,f=-0.35) USER MOD Single : E 39 SER OG : rot 180:sc= 0 USER MOD Single : E 40 GLN : amide:sc= -0.83 K(o=-0.83,f=0) USER MOD Single : E 41 SER OG : rot -92:sc= 0.704 USER MOD Single : E 43 ASN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : E 49 LYS NZ :NH3+ -163:sc= -0.143 (180deg=-0.824) USER MOD Single : E 50 LYS NZ :NH3+ 166:sc=-0.000594 (180deg=-0.27) USER MOD Single : E 52 ASN : amide:sc= -0.0806 X(o=-0.081,f=0) USER MOD Single : F 18 TYR OH : rot -69:sc= 0.0023 USER MOD Single : F 21 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.45) USER MOD Single : F 26 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.32) USER MOD Single : F 32 HIS : no HD1:sc= 0 X(o=0,f=-0.00095) USER MOD Single : F 33 SER OG : rot 81:sc= 0.698 USER MOD Single : F 35 HIS : no HD1:sc= -0.673 K(o=-0.67,f=-1.6!) USER MOD Single : F 39 SER OG : rot 180:sc= 0 USER MOD Single : F 40 GLN : amide:sc= -0.842 K(o=-0.84,f=0) USER MOD Single : F 41 SER OG : rot -80:sc= -0.229 USER MOD Single : F 43 ASN : amide:sc= -0.0341 K(o=-0.034,f=-1.5!) USER MOD Single : F 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 52 ASN : amide:sc= 1.08 K(o=1.1,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS C 16 126.205 -10.071 -2.984 1.00 0.00 N ATOM 2 CA LYS C 16 125.106 -9.665 -2.120 1.00 0.00 C ATOM 3 C LYS C 16 124.717 -8.194 -2.298 1.00 0.00 C ATOM 4 O LYS C 16 125.570 -7.309 -2.271 1.00 0.00 O ATOM 5 CB LYS C 16 125.496 -9.920 -0.658 1.00 0.00 C ATOM 6 CG LYS C 16 124.245 -9.985 0.234 1.00 0.00 C ATOM 7 CD LYS C 16 123.989 -8.618 0.882 1.00 0.00 C ATOM 8 CE LYS C 16 125.000 -8.358 2.007 1.00 0.00 C ATOM 9 NZ LYS C 16 125.476 -6.946 1.929 1.00 0.00 N ATOM 0 HA LYS C 16 124.236 -10.259 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS C 16 126.052 -10.855 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS C 16 126.157 -9.127 -0.309 1.00 0.00 H new ATOM 0 HG2 LYS C 16 123.381 -10.283 -0.359 1.00 0.00 H new ATOM 0 HG3 LYS C 16 124.378 -10.743 1.006 1.00 0.00 H new ATOM 0 HD2 LYS C 16 124.063 -7.833 0.130 1.00 0.00 H new ATOM 0 HD3 LYS C 16 122.975 -8.582 1.281 1.00 0.00 H new ATOM 0 HE2 LYS C 16 124.538 -8.545 2.976 1.00 0.00 H new ATOM 0 HE3 LYS C 16 125.843 -9.043 1.919 1.00 0.00 H new ATOM 0 HZ1 LYS C 16 126.359 -6.847 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS C 16 125.648 -6.692 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS C 16 124.753 -6.313 2.328 1.00 0.00 H new ATOM 23 N LEU C 17 123.402 -7.960 -2.434 1.00 0.00 N ATOM 24 CA LEU C 17 122.841 -6.607 -2.565 1.00 0.00 C ATOM 25 C LEU C 17 121.793 -6.405 -1.467 1.00 0.00 C ATOM 26 O LEU C 17 121.103 -7.358 -1.087 1.00 0.00 O ATOM 27 CB LEU C 17 122.198 -6.408 -3.956 1.00 0.00 C ATOM 28 CG LEU C 17 122.982 -5.351 -4.770 1.00 0.00 C ATOM 29 CD1 LEU C 17 123.769 -6.029 -5.897 1.00 0.00 C ATOM 30 CD2 LEU C 17 122.005 -4.330 -5.368 1.00 0.00 C ATOM 0 H LEU C 17 122.701 -8.700 -2.456 1.00 0.00 H new ATOM 0 HA LEU C 17 123.641 -5.874 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU C 17 122.185 -7.355 -4.496 1.00 0.00 H new ATOM 0 HB3 LEU C 17 121.161 -6.092 -3.842 1.00 0.00 H new ATOM 0 HG LEU C 17 123.680 -4.841 -4.106 1.00 0.00 H new ATOM 0 HD11 LEU C 17 124.317 -5.275 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU C 17 124.472 -6.744 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU C 17 123.079 -6.550 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU C 17 122.560 -3.587 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU C 17 121.301 -4.841 -6.024 1.00 0.00 H new ATOM 0 HD23 LEU C 17 121.459 -3.835 -4.565 1.00 0.00 H new ATOM 42 N VAL C 18 121.688 -5.175 -0.949 1.00 0.00 N ATOM 43 CA VAL C 18 120.728 -4.878 0.128 1.00 0.00 C ATOM 44 C VAL C 18 120.006 -3.561 -0.132 1.00 0.00 C ATOM 45 O VAL C 18 120.634 -2.584 -0.522 1.00 0.00 O ATOM 46 CB VAL C 18 121.460 -4.798 1.487 1.00 0.00 C ATOM 47 CG1 VAL C 18 120.434 -4.658 2.627 1.00 0.00 C ATOM 48 CG2 VAL C 18 122.300 -6.067 1.705 1.00 0.00 C ATOM 0 H VAL C 18 122.247 -4.377 -1.251 1.00 0.00 H new ATOM 0 HA VAL C 18 119.994 -5.683 0.153 1.00 0.00 H new ATOM 0 HB VAL C 18 122.117 -3.928 1.484 1.00 0.00 H new ATOM 0 HG11 VAL C 18 120.957 -4.602 3.582 1.00 0.00 H new ATOM 0 HG12 VAL C 18 119.848 -3.750 2.480 1.00 0.00 H new ATOM 0 HG13 VAL C 18 119.770 -5.522 2.627 1.00 0.00 H new ATOM 0 HG21 VAL C 18 122.813 -6.003 2.665 1.00 0.00 H new ATOM 0 HG22 VAL C 18 121.648 -6.940 1.699 1.00 0.00 H new ATOM 0 HG23 VAL C 18 123.036 -6.158 0.906 1.00 0.00 H new ATOM 58 N PHE C 19 118.693 -3.538 0.127 1.00 0.00 N ATOM 59 CA PHE C 19 117.892 -2.324 -0.038 1.00 0.00 C ATOM 60 C PHE C 19 117.617 -1.742 1.329 1.00 0.00 C ATOM 61 O PHE C 19 117.103 -2.436 2.203 1.00 0.00 O ATOM 62 CB PHE C 19 116.552 -2.624 -0.731 1.00 0.00 C ATOM 63 CG PHE C 19 116.550 -2.005 -2.113 1.00 0.00 C ATOM 64 CD1 PHE C 19 117.405 -2.524 -3.094 1.00 0.00 C ATOM 65 CD2 PHE C 19 115.707 -0.914 -2.417 1.00 0.00 C ATOM 66 CE1 PHE C 19 117.426 -1.969 -4.372 1.00 0.00 C ATOM 67 CE2 PHE C 19 115.737 -0.361 -3.706 1.00 0.00 C ATOM 68 CZ PHE C 19 116.597 -0.890 -4.679 1.00 0.00 C ATOM 0 H PHE C 19 118.165 -4.348 0.452 1.00 0.00 H new ATOM 0 HA PHE C 19 118.447 -1.622 -0.660 1.00 0.00 H new ATOM 0 HB2 PHE C 19 116.400 -3.701 -0.803 1.00 0.00 H new ATOM 0 HB3 PHE C 19 115.727 -2.225 -0.141 1.00 0.00 H new ATOM 0 HD1 PHE C 19 118.050 -3.357 -2.859 1.00 0.00 H new ATOM 0 HD2 PHE C 19 115.046 -0.509 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE C 19 118.085 -2.375 -5.126 1.00 0.00 H new ATOM 0 HE2 PHE C 19 115.096 0.474 -3.949 1.00 0.00 H new ATOM 0 HZ PHE C 19 116.618 -0.460 -5.670 1.00 0.00 H new ATOM 78 N PHE C 20 117.962 -0.475 1.501 1.00 0.00 N ATOM 79 CA PHE C 20 117.756 0.203 2.781 1.00 0.00 C ATOM 80 C PHE C 20 117.205 1.609 2.586 1.00 0.00 C ATOM 81 O PHE C 20 117.316 2.192 1.503 1.00 0.00 O ATOM 82 CB PHE C 20 119.075 0.269 3.553 1.00 0.00 C ATOM 83 CG PHE C 20 120.082 1.087 2.795 1.00 0.00 C ATOM 84 CD1 PHE C 20 120.059 2.482 2.887 1.00 0.00 C ATOM 85 CD2 PHE C 20 121.034 0.451 1.998 1.00 0.00 C ATOM 86 CE1 PHE C 20 120.989 3.240 2.181 1.00 0.00 C ATOM 87 CE2 PHE C 20 121.962 1.207 1.294 1.00 0.00 C ATOM 88 CZ PHE C 20 121.942 2.605 1.382 1.00 0.00 C ATOM 0 H PHE C 20 118.384 0.106 0.777 1.00 0.00 H new ATOM 0 HA PHE C 20 117.024 -0.371 3.350 1.00 0.00 H new ATOM 0 HB2 PHE C 20 118.907 0.707 4.537 1.00 0.00 H new ATOM 0 HB3 PHE C 20 119.461 -0.738 3.714 1.00 0.00 H new ATOM 0 HD1 PHE C 20 119.321 2.971 3.505 1.00 0.00 H new ATOM 0 HD2 PHE C 20 121.049 -0.627 1.929 1.00 0.00 H new ATOM 0 HE1 PHE C 20 120.973 4.318 2.251 1.00 0.00 H new ATOM 0 HE2 PHE C 20 122.701 0.716 0.677 1.00 0.00 H new ATOM 0 HZ PHE C 20 122.663 3.191 0.832 1.00 0.00 H new ATOM 98 N ALA C 21 116.626 2.148 3.655 1.00 0.00 N ATOM 99 CA ALA C 21 116.071 3.492 3.632 1.00 0.00 C ATOM 100 C ALA C 21 116.768 4.353 4.681 1.00 0.00 C ATOM 101 O ALA C 21 116.902 3.942 5.837 1.00 0.00 O ATOM 102 CB ALA C 21 114.573 3.429 3.906 1.00 0.00 C ATOM 0 H ALA C 21 116.530 1.670 4.551 1.00 0.00 H new ATOM 0 HA ALA C 21 116.231 3.938 2.650 1.00 0.00 H new ATOM 0 HB1 ALA C 21 114.157 4.436 3.889 1.00 0.00 H new ATOM 0 HB2 ALA C 21 114.088 2.823 3.140 1.00 0.00 H new ATOM 0 HB3 ALA C 21 114.401 2.982 4.885 1.00 0.00 H new ATOM 108 N GLU C 22 117.208 5.547 4.269 1.00 0.00 N ATOM 109 CA GLU C 22 117.888 6.473 5.152 1.00 0.00 C ATOM 110 C GLU C 22 116.926 7.588 5.537 1.00 0.00 C ATOM 111 O GLU C 22 116.429 8.295 4.667 1.00 0.00 O ATOM 112 CB GLU C 22 119.109 7.041 4.411 1.00 0.00 C ATOM 113 CG GLU C 22 119.814 8.086 5.275 1.00 0.00 C ATOM 114 CD GLU C 22 121.006 8.684 4.522 1.00 0.00 C ATOM 115 OE1 GLU C 22 121.954 7.952 4.272 1.00 0.00 O ATOM 116 OE2 GLU C 22 120.957 9.862 4.206 1.00 0.00 O ATOM 0 H GLU C 22 117.098 5.889 3.314 1.00 0.00 H new ATOM 0 HA GLU C 22 118.221 5.971 6.061 1.00 0.00 H new ATOM 0 HB2 GLU C 22 119.801 6.236 4.165 1.00 0.00 H new ATOM 0 HB3 GLU C 22 118.795 7.490 3.469 1.00 0.00 H new ATOM 0 HG2 GLU C 22 119.113 8.876 5.546 1.00 0.00 H new ATOM 0 HG3 GLU C 22 120.155 7.629 6.204 1.00 0.00 H new ATOM 123 N ASP C 23 116.675 7.743 6.836 1.00 0.00 N ATOM 124 CA ASP C 23 115.767 8.779 7.312 1.00 0.00 C ATOM 125 C ASP C 23 116.434 10.134 7.117 1.00 0.00 C ATOM 126 O ASP C 23 117.475 10.422 7.711 1.00 0.00 O ATOM 127 CB ASP C 23 115.415 8.549 8.795 1.00 0.00 C ATOM 128 CG ASP C 23 114.134 9.308 9.190 1.00 0.00 C ATOM 129 OD1 ASP C 23 113.955 10.435 8.750 1.00 0.00 O ATOM 130 OD2 ASP C 23 113.352 8.749 9.943 1.00 0.00 O ATOM 0 H ASP C 23 117.086 7.168 7.571 1.00 0.00 H new ATOM 0 HA ASP C 23 114.837 8.746 6.745 1.00 0.00 H new ATOM 0 HB2 ASP C 23 115.280 7.483 8.978 1.00 0.00 H new ATOM 0 HB3 ASP C 23 116.243 8.878 9.423 1.00 0.00 H new ATOM 135 N VAL C 24 115.840 10.932 6.239 1.00 0.00 N ATOM 136 CA VAL C 24 116.372 12.256 5.894 1.00 0.00 C ATOM 137 C VAL C 24 115.421 13.378 6.330 1.00 0.00 C ATOM 138 O VAL C 24 115.871 14.470 6.688 1.00 0.00 O ATOM 139 CB VAL C 24 116.642 12.289 4.375 1.00 0.00 C ATOM 140 CG1 VAL C 24 117.792 11.315 4.064 1.00 0.00 C ATOM 141 CG2 VAL C 24 115.373 11.865 3.605 1.00 0.00 C ATOM 0 H VAL C 24 114.981 10.688 5.746 1.00 0.00 H new ATOM 0 HA VAL C 24 117.305 12.428 6.431 1.00 0.00 H new ATOM 0 HB VAL C 24 116.913 13.299 4.067 1.00 0.00 H new ATOM 0 HG11 VAL C 24 117.997 11.325 2.994 1.00 0.00 H new ATOM 0 HG12 VAL C 24 118.686 11.622 4.608 1.00 0.00 H new ATOM 0 HG13 VAL C 24 117.509 10.308 4.370 1.00 0.00 H new ATOM 0 HG21 VAL C 24 115.572 11.891 2.534 1.00 0.00 H new ATOM 0 HG22 VAL C 24 115.091 10.854 3.897 1.00 0.00 H new ATOM 0 HG23 VAL C 24 114.559 12.551 3.840 1.00 0.00 H new ATOM 151 N GLY C 25 114.113 13.088 6.321 1.00 0.00 N ATOM 152 CA GLY C 25 113.089 14.058 6.741 1.00 0.00 C ATOM 153 C GLY C 25 113.164 15.387 5.978 1.00 0.00 C ATOM 154 O GLY C 25 112.498 16.355 6.358 1.00 0.00 O ATOM 0 H GLY C 25 113.737 12.187 6.027 1.00 0.00 H new ATOM 0 HA2 GLY C 25 112.102 13.619 6.597 1.00 0.00 H new ATOM 0 HA3 GLY C 25 113.198 14.253 7.808 1.00 0.00 H new ATOM 158 N SER C 26 113.964 15.433 4.908 1.00 0.00 N ATOM 159 CA SER C 26 114.111 16.649 4.105 1.00 0.00 C ATOM 160 C SER C 26 113.027 16.687 3.023 1.00 0.00 C ATOM 161 O SER C 26 113.326 16.707 1.825 1.00 0.00 O ATOM 162 CB SER C 26 115.513 16.684 3.478 1.00 0.00 C ATOM 163 OG SER C 26 116.491 16.582 4.507 1.00 0.00 O ATOM 0 H SER C 26 114.519 14.643 4.579 1.00 0.00 H new ATOM 0 HA SER C 26 113.994 17.527 4.740 1.00 0.00 H new ATOM 0 HB2 SER C 26 115.627 15.864 2.769 1.00 0.00 H new ATOM 0 HB3 SER C 26 115.651 17.610 2.920 1.00 0.00 H new ATOM 0 HG SER C 26 117.387 16.602 4.110 1.00 0.00 H new ATOM 169 N ASN C 27 111.767 16.673 3.476 1.00 0.00 N ATOM 170 CA ASN C 27 110.609 16.676 2.574 1.00 0.00 C ATOM 171 C ASN C 27 110.635 15.409 1.707 1.00 0.00 C ATOM 172 O ASN C 27 110.268 15.428 0.528 1.00 0.00 O ATOM 173 CB ASN C 27 110.605 17.942 1.692 1.00 0.00 C ATOM 174 CG ASN C 27 110.705 19.199 2.557 1.00 0.00 C ATOM 175 OD1 ASN C 27 111.611 20.013 2.372 1.00 0.00 O ATOM 176 ND2 ASN C 27 109.821 19.410 3.494 1.00 0.00 N ATOM 0 H ASN C 27 111.523 16.659 4.466 1.00 0.00 H new ATOM 0 HA ASN C 27 109.695 16.684 3.168 1.00 0.00 H new ATOM 0 HB2 ASN C 27 111.440 17.908 0.993 1.00 0.00 H new ATOM 0 HB3 ASN C 27 109.692 17.975 1.097 1.00 0.00 H new ATOM 0 HD21 ASN C 27 109.881 20.248 4.072 1.00 0.00 H new ATOM 0 HD22 ASN C 27 109.070 18.737 3.648 1.00 0.00 H new ATOM 183 N LYS C 28 111.088 14.312 2.326 1.00 0.00 N ATOM 184 CA LYS C 28 111.196 13.010 1.654 1.00 0.00 C ATOM 185 C LYS C 28 110.902 11.859 2.621 1.00 0.00 C ATOM 186 O LYS C 28 110.564 10.752 2.189 1.00 0.00 O ATOM 187 CB LYS C 28 112.616 12.821 1.114 1.00 0.00 C ATOM 188 CG LYS C 28 112.939 13.892 0.068 1.00 0.00 C ATOM 189 CD LYS C 28 114.326 13.612 -0.514 1.00 0.00 C ATOM 190 CE LYS C 28 114.815 14.814 -1.330 1.00 0.00 C ATOM 191 NZ LYS C 28 115.072 15.970 -0.419 1.00 0.00 N ATOM 0 H LYS C 28 111.388 14.301 3.301 1.00 0.00 H new ATOM 0 HA LYS C 28 110.467 12.998 0.844 1.00 0.00 H new ATOM 0 HB2 LYS C 28 113.333 12.876 1.933 1.00 0.00 H new ATOM 0 HB3 LYS C 28 112.714 11.830 0.671 1.00 0.00 H new ATOM 0 HG2 LYS C 28 112.189 13.885 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS C 28 112.913 14.883 0.522 1.00 0.00 H new ATOM 0 HD2 LYS C 28 115.029 13.401 0.291 1.00 0.00 H new ATOM 0 HD3 LYS C 28 114.290 12.725 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS C 28 115.726 14.554 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS C 28 114.070 15.086 -2.077 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 115.634 16.688 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 114.166 16.385 -0.121 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 115.595 15.643 0.418 1.00 0.00 H new ATOM 205 N GLY C 29 111.082 12.113 3.923 1.00 0.00 N ATOM 206 CA GLY C 29 110.889 11.087 4.940 1.00 0.00 C ATOM 207 C GLY C 29 112.166 10.270 5.020 1.00 0.00 C ATOM 208 O GLY C 29 112.977 10.447 5.934 1.00 0.00 O ATOM 0 H GLY C 29 111.361 13.022 4.291 1.00 0.00 H new ATOM 0 HA2 GLY C 29 110.665 11.542 5.905 1.00 0.00 H new ATOM 0 HA3 GLY C 29 110.043 10.450 4.684 1.00 0.00 H new ATOM 212 N ALA C 30 112.351 9.408 4.019 1.00 0.00 N ATOM 213 CA ALA C 30 113.549 8.582 3.917 1.00 0.00 C ATOM 214 C ALA C 30 113.969 8.445 2.448 1.00 0.00 C ATOM 215 O ALA C 30 113.149 8.627 1.543 1.00 0.00 O ATOM 216 CB ALA C 30 113.304 7.202 4.522 1.00 0.00 C ATOM 0 H ALA C 30 111.680 9.265 3.264 1.00 0.00 H new ATOM 0 HA ALA C 30 114.351 9.066 4.474 1.00 0.00 H new ATOM 0 HB1 ALA C 30 114.209 6.601 4.436 1.00 0.00 H new ATOM 0 HB2 ALA C 30 113.037 7.308 5.574 1.00 0.00 H new ATOM 0 HB3 ALA C 30 112.490 6.710 3.989 1.00 0.00 H new ATOM 222 N ILE C 31 115.249 8.116 2.223 1.00 0.00 N ATOM 223 CA ILE C 31 115.783 7.948 0.865 1.00 0.00 C ATOM 224 C ILE C 31 116.107 6.487 0.612 1.00 0.00 C ATOM 225 O ILE C 31 116.761 5.842 1.433 1.00 0.00 O ATOM 226 CB ILE C 31 117.081 8.760 0.657 1.00 0.00 C ATOM 227 CG1 ILE C 31 116.842 10.247 0.949 1.00 0.00 C ATOM 228 CG2 ILE C 31 117.549 8.596 -0.795 1.00 0.00 C ATOM 229 CD1 ILE C 31 118.132 11.052 0.706 1.00 0.00 C ATOM 0 H ILE C 31 115.933 7.961 2.964 1.00 0.00 H new ATOM 0 HA ILE C 31 115.019 8.305 0.175 1.00 0.00 H new ATOM 0 HB ILE C 31 117.843 8.388 1.342 1.00 0.00 H new ATOM 0 HG12 ILE C 31 116.043 10.626 0.312 1.00 0.00 H new ATOM 0 HG13 ILE C 31 116.514 10.374 1.981 1.00 0.00 H new ATOM 0 HG21 ILE C 31 118.465 9.167 -0.949 1.00 0.00 H new ATOM 0 HG22 ILE C 31 117.739 7.542 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE C 31 116.776 8.962 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE C 31 117.949 12.106 0.917 1.00 0.00 H new ATOM 0 HD12 ILE C 31 118.920 10.683 1.362 1.00 0.00 H new ATOM 0 HD13 ILE C 31 118.441 10.938 -0.333 1.00 0.00 H new ATOM 241 N ILE C 32 115.682 5.989 -0.547 1.00 0.00 N ATOM 242 CA ILE C 32 115.966 4.612 -0.919 1.00 0.00 C ATOM 243 C ILE C 32 117.375 4.525 -1.480 1.00 0.00 C ATOM 244 O ILE C 32 117.685 5.106 -2.524 1.00 0.00 O ATOM 245 CB ILE C 32 114.931 4.091 -1.951 1.00 0.00 C ATOM 246 CG1 ILE C 32 113.777 3.396 -1.209 1.00 0.00 C ATOM 247 CG2 ILE C 32 115.560 3.081 -2.935 1.00 0.00 C ATOM 248 CD1 ILE C 32 114.289 2.141 -0.470 1.00 0.00 C ATOM 0 H ILE C 32 115.145 6.515 -1.236 1.00 0.00 H new ATOM 0 HA ILE C 32 115.892 3.982 -0.033 1.00 0.00 H new ATOM 0 HB ILE C 32 114.570 4.948 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE C 32 113.327 4.087 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE C 32 112.998 3.116 -1.917 1.00 0.00 H new ATOM 0 HG21 ILE C 32 114.802 2.741 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE C 32 116.373 3.561 -3.479 1.00 0.00 H new ATOM 0 HG23 ILE C 32 115.949 2.227 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE C 32 113.460 1.661 0.050 1.00 0.00 H new ATOM 0 HD12 ILE C 32 114.718 1.444 -1.190 1.00 0.00 H new ATOM 0 HD13 ILE C 32 115.052 2.430 0.253 1.00 0.00 H new ATOM 260 N GLY C 33 118.199 3.763 -0.781 1.00 0.00 N ATOM 261 CA GLY C 33 119.572 3.524 -1.176 1.00 0.00 C ATOM 262 C GLY C 33 119.866 2.052 -0.980 1.00 0.00 C ATOM 263 O GLY C 33 119.312 1.428 -0.075 1.00 0.00 O ATOM 0 H GLY C 33 117.930 3.291 0.082 1.00 0.00 H new ATOM 0 HA2 GLY C 33 119.724 3.807 -2.218 1.00 0.00 H new ATOM 0 HA3 GLY C 33 120.252 4.131 -0.578 1.00 0.00 H new ATOM 267 N LEU C 34 120.715 1.497 -1.827 1.00 0.00 N ATOM 268 CA LEU C 34 121.053 0.079 -1.726 1.00 0.00 C ATOM 269 C LEU C 34 122.547 -0.115 -1.639 1.00 0.00 C ATOM 270 O LEU C 34 123.327 0.725 -2.080 1.00 0.00 O ATOM 271 CB LEU C 34 120.517 -0.709 -2.922 1.00 0.00 C ATOM 272 CG LEU C 34 120.892 -0.002 -4.226 1.00 0.00 C ATOM 273 CD1 LEU C 34 121.328 -1.056 -5.254 1.00 0.00 C ATOM 274 CD2 LEU C 34 119.682 0.799 -4.736 1.00 0.00 C ATOM 0 H LEU C 34 121.181 1.995 -2.585 1.00 0.00 H new ATOM 0 HA LEU C 34 120.585 -0.296 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU C 34 120.927 -1.719 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU C 34 119.434 -0.804 -2.849 1.00 0.00 H new ATOM 0 HG LEU C 34 121.717 0.691 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU C 34 121.598 -0.563 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU C 34 122.189 -1.604 -4.871 1.00 0.00 H new ATOM 0 HD13 LEU C 34 120.507 -1.750 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU C 34 119.946 1.304 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU C 34 118.847 0.122 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU C 34 119.395 1.539 -3.989 1.00 0.00 H new ATOM 286 N MET C 35 122.920 -1.246 -1.069 1.00 0.00 N ATOM 287 CA MET C 35 124.322 -1.602 -0.911 1.00 0.00 C ATOM 288 C MET C 35 124.688 -2.697 -1.913 1.00 0.00 C ATOM 289 O MET C 35 123.870 -3.568 -2.210 1.00 0.00 O ATOM 290 CB MET C 35 124.594 -2.045 0.549 1.00 0.00 C ATOM 291 CG MET C 35 124.627 -3.576 0.679 1.00 0.00 C ATOM 292 SD MET C 35 124.567 -4.048 2.422 1.00 0.00 S ATOM 293 CE MET C 35 126.186 -3.394 2.872 1.00 0.00 C ATOM 0 H MET C 35 122.267 -1.940 -0.705 1.00 0.00 H new ATOM 0 HA MET C 35 124.950 -0.735 -1.115 1.00 0.00 H new ATOM 0 HB2 MET C 35 125.545 -1.630 0.885 1.00 0.00 H new ATOM 0 HB3 MET C 35 123.821 -1.640 1.203 1.00 0.00 H new ATOM 0 HG2 MET C 35 123.783 -4.013 0.146 1.00 0.00 H new ATOM 0 HG3 MET C 35 125.533 -3.969 0.218 1.00 0.00 H new ATOM 0 HE1 MET C 35 126.534 -3.879 3.784 1.00 0.00 H new ATOM 0 HE2 MET C 35 126.893 -3.587 2.066 1.00 0.00 H new ATOM 0 HE3 MET C 35 126.111 -2.319 3.039 1.00 0.00 H new ATOM 303 N VAL C 36 125.919 -2.636 -2.411 1.00 0.00 N ATOM 304 CA VAL C 36 126.430 -3.614 -3.370 1.00 0.00 C ATOM 305 C VAL C 36 127.638 -4.306 -2.742 1.00 0.00 C ATOM 306 O VAL C 36 128.598 -3.637 -2.371 1.00 0.00 O ATOM 307 CB VAL C 36 126.862 -2.905 -4.672 1.00 0.00 C ATOM 308 CG1 VAL C 36 127.177 -3.941 -5.761 1.00 0.00 C ATOM 309 CG2 VAL C 36 125.751 -1.959 -5.167 1.00 0.00 C ATOM 0 H VAL C 36 126.591 -1.909 -2.163 1.00 0.00 H new ATOM 0 HA VAL C 36 125.654 -4.340 -3.611 1.00 0.00 H new ATOM 0 HB VAL C 36 127.757 -2.320 -4.461 1.00 0.00 H new ATOM 0 HG11 VAL C 36 127.480 -3.428 -6.674 1.00 0.00 H new ATOM 0 HG12 VAL C 36 127.985 -4.590 -5.423 1.00 0.00 H new ATOM 0 HG13 VAL C 36 126.289 -4.541 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL C 36 126.073 -1.468 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL C 36 124.845 -2.532 -5.361 1.00 0.00 H new ATOM 0 HG23 VAL C 36 125.548 -1.206 -4.405 1.00 0.00 H new ATOM 319 N GLY C 37 127.586 -5.637 -2.624 1.00 0.00 N ATOM 320 CA GLY C 37 128.693 -6.397 -2.031 1.00 0.00 C ATOM 321 C GLY C 37 128.343 -6.963 -0.656 1.00 0.00 C ATOM 322 O GLY C 37 127.567 -6.366 0.097 1.00 0.00 O ATOM 0 H GLY C 37 126.797 -6.207 -2.928 1.00 0.00 H new ATOM 0 HA2 GLY C 37 128.967 -7.215 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY C 37 129.567 -5.751 -1.943 1.00 0.00 H new ATOM 326 N GLY C 38 128.944 -8.126 -0.349 1.00 0.00 N ATOM 327 CA GLY C 38 128.746 -8.822 0.930 1.00 0.00 C ATOM 328 C GLY C 38 128.762 -7.854 2.110 1.00 0.00 C ATOM 329 O GLY C 38 127.795 -7.777 2.869 1.00 0.00 O ATOM 0 H GLY C 38 129.581 -8.608 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY C 38 127.796 -9.355 0.910 1.00 0.00 H new ATOM 0 HA3 GLY C 38 129.528 -9.569 1.062 1.00 0.00 H new ATOM 333 N VAL C 39 129.863 -7.114 2.255 1.00 0.00 N ATOM 334 CA VAL C 39 129.983 -6.141 3.343 1.00 0.00 C ATOM 335 C VAL C 39 130.697 -4.877 2.873 1.00 0.00 C ATOM 336 O VAL C 39 131.565 -4.924 1.997 1.00 0.00 O ATOM 337 CB VAL C 39 130.721 -6.749 4.552 1.00 0.00 C ATOM 338 CG1 VAL C 39 130.671 -5.766 5.737 1.00 0.00 C ATOM 339 CG2 VAL C 39 130.053 -8.072 4.967 1.00 0.00 C ATOM 0 H VAL C 39 130.676 -7.168 1.641 1.00 0.00 H new ATOM 0 HA VAL C 39 128.974 -5.872 3.654 1.00 0.00 H new ATOM 0 HB VAL C 39 131.757 -6.939 4.273 1.00 0.00 H new ATOM 0 HG11 VAL C 39 131.193 -6.198 6.591 1.00 0.00 H new ATOM 0 HG12 VAL C 39 131.152 -4.830 5.454 1.00 0.00 H new ATOM 0 HG13 VAL C 39 129.633 -5.574 6.007 1.00 0.00 H new ATOM 0 HG21 VAL C 39 130.581 -8.494 5.822 1.00 0.00 H new ATOM 0 HG22 VAL C 39 129.014 -7.885 5.239 1.00 0.00 H new ATOM 0 HG23 VAL C 39 130.090 -8.775 4.135 1.00 0.00 H new ATOM 349 N VAL C 40 130.324 -3.750 3.483 1.00 0.00 N ATOM 350 CA VAL C 40 130.920 -2.453 3.162 1.00 0.00 C ATOM 351 C VAL C 40 132.439 -2.496 3.417 1.00 0.00 C ATOM 352 O VAL C 40 132.832 -2.588 4.572 1.00 0.00 O ATOM 353 CB VAL C 40 130.252 -1.359 4.025 1.00 0.00 C ATOM 354 CG1 VAL C 40 130.838 0.027 3.698 1.00 0.00 C ATOM 355 CG2 VAL C 40 128.738 -1.340 3.759 1.00 0.00 C ATOM 356 OXT VAL C 40 133.183 -2.450 2.452 1.00 0.00 O ATOM 0 H VAL C 40 129.607 -3.711 4.207 1.00 0.00 H new ATOM 0 HA VAL C 40 130.757 -2.223 2.109 1.00 0.00 H new ATOM 0 HB VAL C 40 130.443 -1.586 5.074 1.00 0.00 H new ATOM 0 HG11 VAL C 40 130.353 0.782 4.317 1.00 0.00 H new ATOM 0 HG12 VAL C 40 131.909 0.026 3.899 1.00 0.00 H new ATOM 0 HG13 VAL C 40 130.667 0.256 2.646 1.00 0.00 H new ATOM 0 HG21 VAL C 40 128.271 -0.567 4.370 1.00 0.00 H new ATOM 0 HG22 VAL C 40 128.556 -1.129 2.705 1.00 0.00 H new ATOM 0 HG23 VAL C 40 128.312 -2.310 4.013 1.00 0.00 H new TER 366 VAL C 40 ATOM 367 N GLY E 14 132.208 -3.230 -0.155 1.00 0.00 N ATOM 368 CA GLY E 14 130.930 -2.946 -0.798 1.00 0.00 C ATOM 369 C GLY E 14 130.766 -1.483 -1.210 1.00 0.00 C ATOM 370 O GLY E 14 131.264 -0.568 -0.548 1.00 0.00 O ATOM 0 HA2 GLY E 14 130.828 -3.577 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY E 14 130.122 -3.216 -0.118 1.00 0.00 H new ATOM 374 N GLU E 15 130.020 -1.297 -2.304 1.00 0.00 N ATOM 375 CA GLU E 15 129.700 0.023 -2.855 1.00 0.00 C ATOM 376 C GLU E 15 128.232 0.320 -2.573 1.00 0.00 C ATOM 377 O GLU E 15 127.385 -0.537 -2.797 1.00 0.00 O ATOM 378 CB GLU E 15 129.967 0.018 -4.375 1.00 0.00 C ATOM 379 CG GLU E 15 129.436 1.303 -5.030 1.00 0.00 C ATOM 380 CD GLU E 15 129.716 1.273 -6.534 1.00 0.00 C ATOM 381 OE1 GLU E 15 130.878 1.336 -6.899 1.00 0.00 O ATOM 382 OE2 GLU E 15 128.767 1.182 -7.297 1.00 0.00 O ATOM 0 H GLU E 15 129.617 -2.068 -2.837 1.00 0.00 H new ATOM 0 HA GLU E 15 130.320 0.792 -2.395 1.00 0.00 H new ATOM 0 HB2 GLU E 15 131.037 -0.074 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU E 15 129.490 -0.850 -4.829 1.00 0.00 H new ATOM 0 HG2 GLU E 15 128.365 1.397 -4.852 1.00 0.00 H new ATOM 0 HG3 GLU E 15 129.911 2.175 -4.580 1.00 0.00 H new ATOM 389 N ILE E 16 127.934 1.524 -2.071 1.00 0.00 N ATOM 390 CA ILE E 16 126.549 1.881 -1.751 1.00 0.00 C ATOM 391 C ILE E 16 125.988 2.902 -2.749 1.00 0.00 C ATOM 392 O ILE E 16 126.590 3.944 -3.014 1.00 0.00 O ATOM 393 CB ILE E 16 126.457 2.393 -0.300 1.00 0.00 C ATOM 394 CG1 ILE E 16 127.110 1.336 0.648 1.00 0.00 C ATOM 395 CG2 ILE E 16 124.980 2.615 0.062 1.00 0.00 C ATOM 396 CD1 ILE E 16 126.399 1.252 2.013 1.00 0.00 C ATOM 0 H ILE E 16 128.620 2.255 -1.881 1.00 0.00 H new ATOM 0 HA ILE E 16 125.933 0.986 -1.837 1.00 0.00 H new ATOM 0 HB ILE E 16 126.987 3.339 -0.191 1.00 0.00 H new ATOM 0 HG12 ILE E 16 127.086 0.358 0.168 1.00 0.00 H new ATOM 0 HG13 ILE E 16 128.159 1.589 0.803 1.00 0.00 H new ATOM 0 HG21 ILE E 16 124.907 2.977 1.087 1.00 0.00 H new ATOM 0 HG22 ILE E 16 124.546 3.351 -0.615 1.00 0.00 H new ATOM 0 HG23 ILE E 16 124.438 1.674 -0.030 1.00 0.00 H new ATOM 0 HD11 ILE E 16 126.891 0.504 2.634 1.00 0.00 H new ATOM 0 HD12 ILE E 16 126.446 2.222 2.508 1.00 0.00 H new ATOM 0 HD13 ILE E 16 125.357 0.971 1.864 1.00 0.00 H new ATOM 408 N VAL E 17 124.826 2.541 -3.307 1.00 0.00 N ATOM 409 CA VAL E 17 124.110 3.338 -4.315 1.00 0.00 C ATOM 410 C VAL E 17 122.852 4.004 -3.738 1.00 0.00 C ATOM 411 O VAL E 17 122.140 3.411 -2.933 1.00 0.00 O ATOM 412 CB VAL E 17 123.700 2.398 -5.471 1.00 0.00 C ATOM 413 CG1 VAL E 17 122.679 3.078 -6.414 1.00 0.00 C ATOM 414 CG2 VAL E 17 124.949 2.009 -6.270 1.00 0.00 C ATOM 0 H VAL E 17 124.348 1.673 -3.068 1.00 0.00 H new ATOM 0 HA VAL E 17 124.772 4.132 -4.662 1.00 0.00 H new ATOM 0 HB VAL E 17 123.231 1.512 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL E 17 122.411 2.391 -7.216 1.00 0.00 H new ATOM 0 HG12 VAL E 17 121.785 3.344 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL E 17 123.121 3.979 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL E 17 124.666 1.346 -7.087 1.00 0.00 H new ATOM 0 HG22 VAL E 17 125.415 2.907 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL E 17 125.655 1.498 -5.616 1.00 0.00 H new ATOM 424 N TYR E 18 122.579 5.228 -4.208 1.00 0.00 N ATOM 425 CA TYR E 18 121.386 5.986 -3.806 1.00 0.00 C ATOM 426 C TYR E 18 120.610 6.395 -5.062 1.00 0.00 C ATOM 427 O TYR E 18 121.185 7.006 -5.967 1.00 0.00 O ATOM 428 CB TYR E 18 121.784 7.242 -3.011 1.00 0.00 C ATOM 429 CG TYR E 18 122.025 6.885 -1.571 1.00 0.00 C ATOM 430 CD1 TYR E 18 123.188 6.209 -1.203 1.00 0.00 C ATOM 431 CD2 TYR E 18 121.085 7.243 -0.600 1.00 0.00 C ATOM 432 CE1 TYR E 18 123.416 5.896 0.135 1.00 0.00 C ATOM 433 CE2 TYR E 18 121.306 6.930 0.736 1.00 0.00 C ATOM 434 CZ TYR E 18 122.476 6.256 1.111 1.00 0.00 C ATOM 435 OH TYR E 18 122.706 5.950 2.438 1.00 0.00 O ATOM 0 H TYR E 18 123.175 5.719 -4.874 1.00 0.00 H new ATOM 0 HA TYR E 18 120.763 5.359 -3.169 1.00 0.00 H new ATOM 0 HB2 TYR E 18 122.683 7.684 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR E 18 120.996 7.992 -3.081 1.00 0.00 H new ATOM 0 HD1 TYR E 18 123.911 5.929 -1.955 1.00 0.00 H new ATOM 0 HD2 TYR E 18 120.184 7.764 -0.889 1.00 0.00 H new ATOM 0 HE1 TYR E 18 124.318 5.375 0.421 1.00 0.00 H new ATOM 0 HE2 TYR E 18 120.577 7.206 1.484 1.00 0.00 H new ATOM 0 HH TYR E 18 122.417 6.698 3.001 1.00 0.00 H new ATOM 445 N LEU E 19 119.308 6.060 -5.111 1.00 0.00 N ATOM 446 CA LEU E 19 118.468 6.409 -6.272 1.00 0.00 C ATOM 447 C LEU E 19 117.245 7.249 -5.832 1.00 0.00 C ATOM 448 O LEU E 19 116.102 6.909 -6.158 1.00 0.00 O ATOM 449 CB LEU E 19 117.981 5.133 -7.006 1.00 0.00 C ATOM 450 CG LEU E 19 119.150 4.178 -7.333 1.00 0.00 C ATOM 451 CD1 LEU E 19 118.606 2.804 -7.756 1.00 0.00 C ATOM 452 CD2 LEU E 19 120.020 4.747 -8.469 1.00 0.00 C ATOM 0 H LEU E 19 118.820 5.555 -4.371 1.00 0.00 H new ATOM 0 HA LEU E 19 119.079 6.999 -6.955 1.00 0.00 H new ATOM 0 HB2 LEU E 19 117.250 4.614 -6.386 1.00 0.00 H new ATOM 0 HB3 LEU E 19 117.474 5.416 -7.928 1.00 0.00 H new ATOM 0 HG LEU E 19 119.761 4.073 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU E 19 119.438 2.138 -7.984 1.00 0.00 H new ATOM 0 HD12 LEU E 19 118.015 2.381 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU E 19 117.979 2.918 -8.640 1.00 0.00 H new ATOM 0 HD21 LEU E 19 120.837 4.057 -8.682 1.00 0.00 H new ATOM 0 HD22 LEU E 19 119.411 4.876 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU E 19 120.429 5.711 -8.166 1.00 0.00 H new ATOM 464 N PRO E 20 117.456 8.352 -5.129 1.00 0.00 N ATOM 465 CA PRO E 20 116.338 9.246 -4.678 1.00 0.00 C ATOM 466 C PRO E 20 115.586 9.839 -5.865 1.00 0.00 C ATOM 467 O PRO E 20 114.482 10.370 -5.716 1.00 0.00 O ATOM 468 CB PRO E 20 117.036 10.360 -3.880 1.00 0.00 C ATOM 469 CG PRO E 20 118.468 10.317 -4.296 1.00 0.00 C ATOM 470 CD PRO E 20 118.764 8.872 -4.688 1.00 0.00 C ATOM 0 HA PRO E 20 115.598 8.703 -4.091 1.00 0.00 H new ATOM 0 HB2 PRO E 20 116.594 11.333 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO E 20 116.935 10.196 -2.807 1.00 0.00 H new ATOM 0 HG2 PRO E 20 118.649 10.991 -5.134 1.00 0.00 H new ATOM 0 HG3 PRO E 20 119.118 10.639 -3.482 1.00 0.00 H new ATOM 0 HD2 PRO E 20 119.505 8.818 -5.485 1.00 0.00 H new ATOM 0 HD3 PRO E 20 119.158 8.302 -3.847 1.00 0.00 H new ATOM 478 N ASN E 21 116.221 9.765 -7.034 1.00 0.00 N ATOM 479 CA ASN E 21 115.661 10.313 -8.261 1.00 0.00 C ATOM 480 C ASN E 21 114.734 9.322 -8.968 1.00 0.00 C ATOM 481 O ASN E 21 114.102 9.684 -9.962 1.00 0.00 O ATOM 482 CB ASN E 21 116.815 10.688 -9.204 1.00 0.00 C ATOM 483 CG ASN E 21 117.740 11.719 -8.548 1.00 0.00 C ATOM 484 OD1 ASN E 21 117.322 12.472 -7.667 1.00 0.00 O ATOM 485 ND2 ASN E 21 118.985 11.800 -8.932 1.00 0.00 N ATOM 0 H ASN E 21 117.133 9.325 -7.153 1.00 0.00 H new ATOM 0 HA ASN E 21 115.066 11.188 -8.000 1.00 0.00 H new ATOM 0 HB2 ASN E 21 117.384 9.795 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN E 21 116.414 11.092 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN E 21 119.608 12.485 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN E 21 119.335 11.179 -9.661 1.00 0.00 H new ATOM 492 N LEU E 22 114.656 8.077 -8.472 1.00 0.00 N ATOM 493 CA LEU E 22 113.808 7.065 -9.101 1.00 0.00 C ATOM 494 C LEU E 22 112.443 6.990 -8.435 1.00 0.00 C ATOM 495 O LEU E 22 112.342 6.849 -7.214 1.00 0.00 O ATOM 496 CB LEU E 22 114.500 5.700 -9.040 1.00 0.00 C ATOM 497 CG LEU E 22 115.395 5.503 -10.281 1.00 0.00 C ATOM 498 CD1 LEU E 22 116.403 6.658 -10.417 1.00 0.00 C ATOM 499 CD2 LEU E 22 116.140 4.161 -10.165 1.00 0.00 C ATOM 0 H LEU E 22 115.164 7.755 -7.648 1.00 0.00 H new ATOM 0 HA LEU E 22 113.654 7.350 -10.142 1.00 0.00 H new ATOM 0 HB2 LEU E 22 115.101 5.629 -8.134 1.00 0.00 H new ATOM 0 HB3 LEU E 22 113.754 4.907 -8.991 1.00 0.00 H new ATOM 0 HG LEU E 22 114.766 5.496 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU E 22 117.023 6.498 -11.299 1.00 0.00 H new ATOM 0 HD12 LEU E 22 115.865 7.600 -10.518 1.00 0.00 H new ATOM 0 HD13 LEU E 22 117.036 6.695 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU E 22 116.773 4.019 -11.041 1.00 0.00 H new ATOM 0 HD22 LEU E 22 116.758 4.164 -9.267 1.00 0.00 H new ATOM 0 HD23 LEU E 22 115.417 3.348 -10.105 1.00 0.00 H new ATOM 511 N ASN E 23 111.400 7.067 -9.263 1.00 0.00 N ATOM 512 CA ASN E 23 110.021 6.994 -8.775 1.00 0.00 C ATOM 513 C ASN E 23 109.728 5.580 -8.253 1.00 0.00 C ATOM 514 O ASN E 23 110.431 4.632 -8.615 1.00 0.00 O ATOM 515 CB ASN E 23 109.035 7.374 -9.896 1.00 0.00 C ATOM 516 CG ASN E 23 109.396 6.668 -11.201 1.00 0.00 C ATOM 517 OD1 ASN E 23 109.020 5.519 -11.409 1.00 0.00 O ATOM 518 ND2 ASN E 23 110.106 7.295 -12.098 1.00 0.00 N ATOM 0 H ASN E 23 111.483 7.180 -10.273 1.00 0.00 H new ATOM 0 HA ASN E 23 109.895 7.703 -7.957 1.00 0.00 H new ATOM 0 HB2 ASN E 23 108.021 7.105 -9.601 1.00 0.00 H new ATOM 0 HB3 ASN E 23 109.047 8.454 -10.046 1.00 0.00 H new ATOM 0 HD21 ASN E 23 110.349 6.830 -12.973 1.00 0.00 H new ATOM 0 HD22 ASN E 23 110.418 8.250 -11.925 1.00 0.00 H new ATOM 525 N PRO E 24 108.725 5.419 -7.401 1.00 0.00 N ATOM 526 CA PRO E 24 108.376 4.084 -6.817 1.00 0.00 C ATOM 527 C PRO E 24 108.200 3.011 -7.887 1.00 0.00 C ATOM 528 O PRO E 24 108.583 1.855 -7.679 1.00 0.00 O ATOM 529 CB PRO E 24 107.059 4.336 -6.073 1.00 0.00 C ATOM 530 CG PRO E 24 107.058 5.796 -5.765 1.00 0.00 C ATOM 531 CD PRO E 24 107.824 6.477 -6.898 1.00 0.00 C ATOM 0 HA PRO E 24 109.168 3.708 -6.169 1.00 0.00 H new ATOM 0 HB2 PRO E 24 106.201 4.062 -6.687 1.00 0.00 H new ATOM 0 HB3 PRO E 24 107.001 3.741 -5.162 1.00 0.00 H new ATOM 0 HG2 PRO E 24 106.039 6.178 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO E 24 107.533 5.990 -4.803 1.00 0.00 H new ATOM 0 HD2 PRO E 24 107.151 6.833 -7.678 1.00 0.00 H new ATOM 0 HD3 PRO E 24 108.383 7.341 -6.540 1.00 0.00 H new ATOM 539 N ASP E 25 107.640 3.403 -9.031 1.00 0.00 N ATOM 540 CA ASP E 25 107.441 2.468 -10.132 1.00 0.00 C ATOM 541 C ASP E 25 108.792 1.987 -10.659 1.00 0.00 C ATOM 542 O ASP E 25 109.000 0.788 -10.858 1.00 0.00 O ATOM 543 CB ASP E 25 106.651 3.141 -11.261 1.00 0.00 C ATOM 544 CG ASP E 25 106.317 2.119 -12.350 1.00 0.00 C ATOM 545 OD1 ASP E 25 105.328 1.420 -12.196 1.00 0.00 O ATOM 546 OD2 ASP E 25 107.056 2.048 -13.320 1.00 0.00 O ATOM 0 H ASP E 25 107.319 4.353 -9.217 1.00 0.00 H new ATOM 0 HA ASP E 25 106.875 1.611 -9.767 1.00 0.00 H new ATOM 0 HB2 ASP E 25 105.733 3.575 -10.865 1.00 0.00 H new ATOM 0 HB3 ASP E 25 107.233 3.959 -11.685 1.00 0.00 H new ATOM 551 N GLN E 26 109.711 2.936 -10.879 1.00 0.00 N ATOM 552 CA GLN E 26 111.032 2.605 -11.376 1.00 0.00 C ATOM 553 C GLN E 26 111.788 1.751 -10.359 1.00 0.00 C ATOM 554 O GLN E 26 112.430 0.767 -10.733 1.00 0.00 O ATOM 555 CB GLN E 26 111.803 3.892 -11.679 1.00 0.00 C ATOM 556 CG GLN E 26 113.069 3.560 -12.468 1.00 0.00 C ATOM 557 CD GLN E 26 112.713 2.994 -13.844 1.00 0.00 C ATOM 558 OE1 GLN E 26 113.124 1.886 -14.187 1.00 0.00 O ATOM 559 NE2 GLN E 26 111.966 3.692 -14.657 1.00 0.00 N ATOM 0 H GLN E 26 109.555 3.931 -10.718 1.00 0.00 H new ATOM 0 HA GLN E 26 110.933 2.027 -12.295 1.00 0.00 H new ATOM 0 HB2 GLN E 26 111.176 4.577 -12.250 1.00 0.00 H new ATOM 0 HB3 GLN E 26 112.064 4.398 -10.750 1.00 0.00 H new ATOM 0 HG2 GLN E 26 113.677 4.457 -12.584 1.00 0.00 H new ATOM 0 HG3 GLN E 26 113.669 2.837 -11.916 1.00 0.00 H new ATOM 0 HE21 GLN E 26 111.625 4.611 -14.374 1.00 0.00 H new ATOM 0 HE22 GLN E 26 111.724 3.318 -15.575 1.00 0.00 H new ATOM 568 N LEU E 27 111.696 2.119 -9.070 1.00 0.00 N ATOM 569 CA LEU E 27 112.371 1.350 -8.020 1.00 0.00 C ATOM 570 C LEU E 27 111.792 -0.064 -7.970 1.00 0.00 C ATOM 571 O LEU E 27 112.536 -1.031 -7.832 1.00 0.00 O ATOM 572 CB LEU E 27 112.231 2.028 -6.642 1.00 0.00 C ATOM 573 CG LEU E 27 112.959 3.389 -6.628 1.00 0.00 C ATOM 574 CD1 LEU E 27 112.746 4.088 -5.277 1.00 0.00 C ATOM 575 CD2 LEU E 27 114.472 3.199 -6.853 1.00 0.00 C ATOM 0 H LEU E 27 111.171 2.928 -8.738 1.00 0.00 H new ATOM 0 HA LEU E 27 113.433 1.305 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU E 27 111.176 2.172 -6.407 1.00 0.00 H new ATOM 0 HB3 LEU E 27 112.645 1.381 -5.869 1.00 0.00 H new ATOM 0 HG LEU E 27 112.547 3.999 -7.432 1.00 0.00 H new ATOM 0 HD11 LEU E 27 113.264 5.047 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU E 27 111.680 4.251 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU E 27 113.142 3.462 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU E 27 114.967 4.170 -6.840 1.00 0.00 H new ATOM 0 HD22 LEU E 27 114.882 2.572 -6.061 1.00 0.00 H new ATOM 0 HD23 LEU E 27 114.639 2.720 -7.818 1.00 0.00 H new ATOM 587 N CYS E 28 110.466 -0.177 -8.116 1.00 0.00 N ATOM 588 CA CYS E 28 109.814 -1.490 -8.113 1.00 0.00 C ATOM 589 C CYS E 28 110.278 -2.299 -9.326 1.00 0.00 C ATOM 590 O CYS E 28 110.530 -3.502 -9.221 1.00 0.00 O ATOM 591 CB CYS E 28 108.287 -1.332 -8.146 1.00 0.00 C ATOM 592 SG CYS E 28 107.701 -0.770 -6.526 1.00 0.00 S ATOM 0 H CYS E 28 109.832 0.613 -8.236 1.00 0.00 H new ATOM 0 HA CYS E 28 110.090 -2.016 -7.199 1.00 0.00 H new ATOM 0 HB2 CYS E 28 108.002 -0.615 -8.916 1.00 0.00 H new ATOM 0 HB3 CYS E 28 107.818 -2.281 -8.405 1.00 0.00 H new ATOM 597 N ALA E 29 110.394 -1.616 -10.473 1.00 0.00 N ATOM 598 CA ALA E 29 110.840 -2.255 -11.713 1.00 0.00 C ATOM 599 C ALA E 29 112.262 -2.780 -11.548 1.00 0.00 C ATOM 600 O ALA E 29 112.573 -3.914 -11.927 1.00 0.00 O ATOM 601 CB ALA E 29 110.811 -1.231 -12.856 1.00 0.00 C ATOM 0 H ALA E 29 110.185 -0.622 -10.565 1.00 0.00 H new ATOM 0 HA ALA E 29 110.173 -3.086 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA E 29 111.143 -1.706 -13.779 1.00 0.00 H new ATOM 0 HB2 ALA E 29 109.795 -0.858 -12.985 1.00 0.00 H new ATOM 0 HB3 ALA E 29 111.475 -0.400 -12.617 1.00 0.00 H new ATOM 607 N PHE E 30 113.110 -1.933 -10.970 1.00 0.00 N ATOM 608 CA PHE E 30 114.508 -2.268 -10.727 1.00 0.00 C ATOM 609 C PHE E 30 114.625 -3.378 -9.678 1.00 0.00 C ATOM 610 O PHE E 30 115.286 -4.385 -9.907 1.00 0.00 O ATOM 611 CB PHE E 30 115.230 -0.992 -10.259 1.00 0.00 C ATOM 612 CG PHE E 30 116.642 -1.291 -9.790 1.00 0.00 C ATOM 613 CD1 PHE E 30 117.548 -1.947 -10.633 1.00 0.00 C ATOM 614 CD2 PHE E 30 117.045 -0.893 -8.507 1.00 0.00 C ATOM 615 CE1 PHE E 30 118.852 -2.203 -10.189 1.00 0.00 C ATOM 616 CE2 PHE E 30 118.345 -1.153 -8.069 1.00 0.00 C ATOM 617 CZ PHE E 30 119.246 -1.805 -8.909 1.00 0.00 C ATOM 0 H PHE E 30 112.847 -0.998 -10.658 1.00 0.00 H new ATOM 0 HA PHE E 30 114.968 -2.640 -11.642 1.00 0.00 H new ATOM 0 HB2 PHE E 30 115.262 -0.271 -11.076 1.00 0.00 H new ATOM 0 HB3 PHE E 30 114.666 -0.531 -9.448 1.00 0.00 H new ATOM 0 HD1 PHE E 30 117.242 -2.255 -11.622 1.00 0.00 H new ATOM 0 HD2 PHE E 30 116.349 -0.385 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE E 30 119.553 -2.708 -10.837 1.00 0.00 H new ATOM 0 HE2 PHE E 30 118.652 -0.849 -7.079 1.00 0.00 H new ATOM 0 HZ PHE E 30 120.252 -2.003 -8.569 1.00 0.00 H new ATOM 627 N ILE E 31 113.982 -3.166 -8.531 1.00 0.00 N ATOM 628 CA ILE E 31 114.008 -4.124 -7.420 1.00 0.00 C ATOM 629 C ILE E 31 113.461 -5.501 -7.817 1.00 0.00 C ATOM 630 O ILE E 31 113.981 -6.523 -7.354 1.00 0.00 O ATOM 631 CB ILE E 31 113.209 -3.532 -6.239 1.00 0.00 C ATOM 632 CG1 ILE E 31 114.013 -2.378 -5.626 1.00 0.00 C ATOM 633 CG2 ILE E 31 112.941 -4.577 -5.147 1.00 0.00 C ATOM 634 CD1 ILE E 31 113.142 -1.598 -4.638 1.00 0.00 C ATOM 0 H ILE E 31 113.429 -2.329 -8.343 1.00 0.00 H new ATOM 0 HA ILE E 31 115.046 -4.285 -7.128 1.00 0.00 H new ATOM 0 HB ILE E 31 112.249 -3.186 -6.622 1.00 0.00 H new ATOM 0 HG12 ILE E 31 114.894 -2.768 -5.117 1.00 0.00 H new ATOM 0 HG13 ILE E 31 114.368 -1.713 -6.413 1.00 0.00 H new ATOM 0 HG21 ILE E 31 112.377 -4.118 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE E 31 112.367 -5.403 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE E 31 113.889 -4.953 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE E 31 113.722 -0.781 -4.208 1.00 0.00 H new ATOM 0 HD12 ILE E 31 112.275 -1.193 -5.159 1.00 0.00 H new ATOM 0 HD13 ILE E 31 112.809 -2.264 -3.842 1.00 0.00 H new ATOM 646 N HIS E 32 112.419 -5.535 -8.655 1.00 0.00 N ATOM 647 CA HIS E 32 111.834 -6.814 -9.068 1.00 0.00 C ATOM 648 C HIS E 32 112.853 -7.623 -9.870 1.00 0.00 C ATOM 649 O HIS E 32 113.096 -8.800 -9.585 1.00 0.00 O ATOM 650 CB HIS E 32 110.572 -6.567 -9.913 1.00 0.00 C ATOM 651 CG HIS E 32 109.883 -7.876 -10.209 1.00 0.00 C ATOM 652 ND1 HIS E 32 110.112 -8.586 -11.377 1.00 0.00 N ATOM 653 CD2 HIS E 32 108.969 -8.613 -9.495 1.00 0.00 C ATOM 654 CE1 HIS E 32 109.353 -9.696 -11.333 1.00 0.00 C ATOM 655 NE2 HIS E 32 108.636 -9.762 -10.207 1.00 0.00 N ATOM 0 H HIS E 32 111.971 -4.710 -9.053 1.00 0.00 H new ATOM 0 HA HIS E 32 111.558 -7.380 -8.178 1.00 0.00 H new ATOM 0 HB2 HIS E 32 109.893 -5.902 -9.380 1.00 0.00 H new ATOM 0 HB3 HIS E 32 110.840 -6.069 -10.845 1.00 0.00 H new ATOM 0 HD2 HIS E 32 108.570 -8.342 -8.529 1.00 0.00 H new ATOM 0 HE1 HIS E 32 109.326 -10.443 -12.113 1.00 0.00 H new ATOM 0 HE2 HIS E 32 107.985 -10.496 -9.929 1.00 0.00 H new ATOM 664 N SER E 33 113.441 -6.967 -10.867 1.00 0.00 N ATOM 665 CA SER E 33 114.442 -7.593 -11.727 1.00 0.00 C ATOM 666 C SER E 33 115.735 -7.876 -10.960 1.00 0.00 C ATOM 667 O SER E 33 116.362 -8.921 -11.146 1.00 0.00 O ATOM 668 CB SER E 33 114.728 -6.662 -12.907 1.00 0.00 C ATOM 669 OG SER E 33 115.547 -7.330 -13.860 1.00 0.00 O ATOM 0 H SER E 33 113.240 -5.995 -11.101 1.00 0.00 H new ATOM 0 HA SER E 33 114.054 -8.547 -12.084 1.00 0.00 H new ATOM 0 HB2 SER E 33 113.792 -6.351 -13.372 1.00 0.00 H new ATOM 0 HB3 SER E 33 115.226 -5.758 -12.556 1.00 0.00 H new ATOM 0 HG SER E 33 115.595 -6.797 -14.681 1.00 0.00 H new ATOM 675 N LEU E 34 116.120 -6.923 -10.109 1.00 0.00 N ATOM 676 CA LEU E 34 117.337 -7.031 -9.303 1.00 0.00 C ATOM 677 C LEU E 34 117.295 -8.284 -8.430 1.00 0.00 C ATOM 678 O LEU E 34 118.300 -8.988 -8.287 1.00 0.00 O ATOM 679 CB LEU E 34 117.454 -5.773 -8.425 1.00 0.00 C ATOM 680 CG LEU E 34 118.737 -5.795 -7.582 1.00 0.00 C ATOM 681 CD1 LEU E 34 119.969 -5.833 -8.503 1.00 0.00 C ATOM 682 CD2 LEU E 34 118.781 -4.529 -6.697 1.00 0.00 C ATOM 0 H LEU E 34 115.600 -6.059 -9.960 1.00 0.00 H new ATOM 0 HA LEU E 34 118.204 -7.110 -9.958 1.00 0.00 H new ATOM 0 HB2 LEU E 34 117.447 -4.885 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU E 34 116.587 -5.704 -7.768 1.00 0.00 H new ATOM 0 HG LEU E 34 118.744 -6.683 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU E 34 120.875 -5.848 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU E 34 119.932 -6.728 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU E 34 119.974 -4.949 -9.141 1.00 0.00 H new ATOM 0 HD21 LEU E 34 119.690 -4.537 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU E 34 118.773 -3.642 -7.330 1.00 0.00 H new ATOM 0 HD23 LEU E 34 117.911 -4.514 -6.041 1.00 0.00 H new ATOM 694 N HIS E 35 116.121 -8.550 -7.854 1.00 0.00 N ATOM 695 CA HIS E 35 115.930 -9.714 -6.991 1.00 0.00 C ATOM 696 C HIS E 35 115.797 -11.004 -7.810 1.00 0.00 C ATOM 697 O HIS E 35 116.464 -12.001 -7.522 1.00 0.00 O ATOM 698 CB HIS E 35 114.669 -9.519 -6.145 1.00 0.00 C ATOM 699 CG HIS E 35 114.600 -10.596 -5.090 1.00 0.00 C ATOM 700 ND1 HIS E 35 115.298 -10.503 -3.895 1.00 0.00 N ATOM 701 CD2 HIS E 35 113.936 -11.798 -5.043 1.00 0.00 C ATOM 702 CE1 HIS E 35 115.041 -11.617 -3.186 1.00 0.00 C ATOM 703 NE2 HIS E 35 114.216 -12.440 -3.840 1.00 0.00 N ATOM 0 H HIS E 35 115.288 -7.973 -7.971 1.00 0.00 H new ATOM 0 HA HIS E 35 116.806 -9.807 -6.349 1.00 0.00 H new ATOM 0 HB2 HIS E 35 114.682 -8.535 -5.676 1.00 0.00 H new ATOM 0 HB3 HIS E 35 113.783 -9.558 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS E 35 113.295 -12.186 -5.821 1.00 0.00 H new ATOM 0 HE1 HIS E 35 115.451 -11.821 -2.208 1.00 0.00 H new ATOM 0 HE2 HIS E 35 113.866 -13.345 -3.525 1.00 0.00 H new ATOM 712 N ASP E 36 114.908 -10.975 -8.809 1.00 0.00 N ATOM 713 CA ASP E 36 114.649 -12.145 -9.658 1.00 0.00 C ATOM 714 C ASP E 36 115.907 -12.620 -10.394 1.00 0.00 C ATOM 715 O ASP E 36 116.112 -13.826 -10.553 1.00 0.00 O ATOM 716 CB ASP E 36 113.554 -11.804 -10.679 1.00 0.00 C ATOM 717 CG ASP E 36 113.133 -13.061 -11.446 1.00 0.00 C ATOM 718 OD1 ASP E 36 112.305 -13.797 -10.930 1.00 0.00 O ATOM 719 OD2 ASP E 36 113.645 -13.270 -12.534 1.00 0.00 O ATOM 0 H ASP E 36 114.354 -10.153 -9.050 1.00 0.00 H new ATOM 0 HA ASP E 36 114.324 -12.957 -9.008 1.00 0.00 H new ATOM 0 HB2 ASP E 36 112.692 -11.375 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP E 36 113.919 -11.050 -11.376 1.00 0.00 H new ATOM 724 N ASP E 37 116.730 -11.669 -10.853 1.00 0.00 N ATOM 725 CA ASP E 37 117.956 -11.997 -11.594 1.00 0.00 C ATOM 726 C ASP E 37 119.197 -11.423 -10.885 1.00 0.00 C ATOM 727 O ASP E 37 119.703 -10.360 -11.266 1.00 0.00 O ATOM 728 CB ASP E 37 117.857 -11.439 -13.025 1.00 0.00 C ATOM 729 CG ASP E 37 116.739 -12.148 -13.793 1.00 0.00 C ATOM 730 OD1 ASP E 37 116.880 -13.334 -14.042 1.00 0.00 O ATOM 731 OD2 ASP E 37 115.760 -11.496 -14.120 1.00 0.00 O ATOM 0 H ASP E 37 116.571 -10.670 -10.725 1.00 0.00 H new ATOM 0 HA ASP E 37 118.061 -13.081 -11.633 1.00 0.00 H new ATOM 0 HB2 ASP E 37 117.662 -10.367 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP E 37 118.807 -11.575 -13.543 1.00 0.00 H new ATOM 736 N PRO E 38 119.698 -12.102 -9.865 1.00 0.00 N ATOM 737 CA PRO E 38 120.904 -11.640 -9.104 1.00 0.00 C ATOM 738 C PRO E 38 122.181 -11.723 -9.947 1.00 0.00 C ATOM 739 O PRO E 38 123.117 -10.946 -9.746 1.00 0.00 O ATOM 740 CB PRO E 38 120.968 -12.592 -7.904 1.00 0.00 C ATOM 741 CG PRO E 38 120.271 -13.832 -8.355 1.00 0.00 C ATOM 742 CD PRO E 38 119.181 -13.380 -9.328 1.00 0.00 C ATOM 0 HA PRO E 38 120.829 -10.593 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO E 38 122.000 -12.800 -7.621 1.00 0.00 H new ATOM 0 HB3 PRO E 38 120.479 -12.160 -7.031 1.00 0.00 H new ATOM 0 HG2 PRO E 38 120.968 -14.515 -8.841 1.00 0.00 H new ATOM 0 HG3 PRO E 38 119.840 -14.366 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO E 38 119.022 -14.112 -10.120 1.00 0.00 H new ATOM 0 HD3 PRO E 38 118.225 -13.244 -8.823 1.00 0.00 H new ATOM 750 N SER E 39 122.202 -12.671 -10.888 1.00 0.00 N ATOM 751 CA SER E 39 123.360 -12.858 -11.768 1.00 0.00 C ATOM 752 C SER E 39 123.633 -11.587 -12.578 1.00 0.00 C ATOM 753 O SER E 39 124.787 -11.242 -12.835 1.00 0.00 O ATOM 754 CB SER E 39 123.109 -14.033 -12.720 1.00 0.00 C ATOM 755 OG SER E 39 122.784 -15.195 -11.964 1.00 0.00 O ATOM 0 H SER E 39 121.433 -13.319 -11.060 1.00 0.00 H new ATOM 0 HA SER E 39 124.232 -13.073 -11.150 1.00 0.00 H new ATOM 0 HB2 SER E 39 122.296 -13.793 -13.405 1.00 0.00 H new ATOM 0 HB3 SER E 39 123.994 -14.218 -13.328 1.00 0.00 H new ATOM 0 HG SER E 39 122.622 -15.946 -12.572 1.00 0.00 H new ATOM 761 N GLN E 40 122.552 -10.905 -12.973 1.00 0.00 N ATOM 762 CA GLN E 40 122.644 -9.665 -13.757 1.00 0.00 C ATOM 763 C GLN E 40 122.576 -8.431 -12.854 1.00 0.00 C ATOM 764 O GLN E 40 122.336 -7.326 -13.336 1.00 0.00 O ATOM 765 CB GLN E 40 121.485 -9.603 -14.765 1.00 0.00 C ATOM 766 CG GLN E 40 121.604 -10.744 -15.782 1.00 0.00 C ATOM 767 CD GLN E 40 120.524 -10.642 -16.868 1.00 0.00 C ATOM 768 OE1 GLN E 40 120.509 -11.447 -17.798 1.00 0.00 O ATOM 769 NE2 GLN E 40 119.615 -9.703 -16.811 1.00 0.00 N ATOM 0 H GLN E 40 121.596 -11.192 -12.761 1.00 0.00 H new ATOM 0 HA GLN E 40 123.602 -9.668 -14.277 1.00 0.00 H new ATOM 0 HB2 GLN E 40 120.533 -9.673 -14.239 1.00 0.00 H new ATOM 0 HB3 GLN E 40 121.494 -8.643 -15.282 1.00 0.00 H new ATOM 0 HG2 GLN E 40 122.591 -10.719 -16.245 1.00 0.00 H new ATOM 0 HG3 GLN E 40 121.516 -11.702 -15.269 1.00 0.00 H new ATOM 0 HE21 GLN E 40 119.622 -9.032 -16.042 1.00 0.00 H new ATOM 0 HE22 GLN E 40 118.899 -9.641 -17.535 1.00 0.00 H new ATOM 778 N SER E 41 122.756 -8.625 -11.546 1.00 0.00 N ATOM 779 CA SER E 41 122.674 -7.518 -10.587 1.00 0.00 C ATOM 780 C SER E 41 123.536 -6.317 -10.994 1.00 0.00 C ATOM 781 O SER E 41 123.084 -5.176 -10.906 1.00 0.00 O ATOM 782 CB SER E 41 123.095 -8.007 -9.205 1.00 0.00 C ATOM 783 OG SER E 41 124.414 -8.537 -9.267 1.00 0.00 O ATOM 0 H SER E 41 122.958 -9.533 -11.127 1.00 0.00 H new ATOM 0 HA SER E 41 121.638 -7.180 -10.572 1.00 0.00 H new ATOM 0 HB2 SER E 41 123.056 -7.185 -8.490 1.00 0.00 H new ATOM 0 HB3 SER E 41 122.402 -8.770 -8.852 1.00 0.00 H new ATOM 0 HG SER E 41 124.372 -9.500 -9.444 1.00 0.00 H new ATOM 789 N ALA E 42 124.762 -6.569 -11.446 1.00 0.00 N ATOM 790 CA ALA E 42 125.644 -5.471 -11.853 1.00 0.00 C ATOM 791 C ALA E 42 125.092 -4.750 -13.080 1.00 0.00 C ATOM 792 O ALA E 42 125.025 -3.516 -13.101 1.00 0.00 O ATOM 793 CB ALA E 42 127.050 -5.999 -12.149 1.00 0.00 C ATOM 0 H ALA E 42 125.164 -7.502 -11.540 1.00 0.00 H new ATOM 0 HA ALA E 42 125.695 -4.759 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA E 42 127.693 -5.172 -12.450 1.00 0.00 H new ATOM 0 HB2 ALA E 42 127.458 -6.469 -11.254 1.00 0.00 H new ATOM 0 HB3 ALA E 42 127.001 -6.732 -12.954 1.00 0.00 H new ATOM 799 N ASN E 43 124.700 -5.522 -14.100 1.00 0.00 N ATOM 800 CA ASN E 43 124.155 -4.940 -15.328 1.00 0.00 C ATOM 801 C ASN E 43 122.861 -4.190 -15.042 1.00 0.00 C ATOM 802 O ASN E 43 122.667 -3.073 -15.523 1.00 0.00 O ATOM 803 CB ASN E 43 123.889 -6.038 -16.364 1.00 0.00 C ATOM 804 CG ASN E 43 125.205 -6.513 -16.972 1.00 0.00 C ATOM 805 OD1 ASN E 43 125.609 -7.659 -16.774 1.00 0.00 O ATOM 806 ND2 ASN E 43 125.899 -5.692 -17.709 1.00 0.00 N ATOM 0 H ASN E 43 124.750 -6.541 -14.099 1.00 0.00 H new ATOM 0 HA ASN E 43 124.890 -4.239 -15.724 1.00 0.00 H new ATOM 0 HB2 ASN E 43 123.373 -6.875 -15.894 1.00 0.00 H new ATOM 0 HB3 ASN E 43 123.233 -5.659 -17.148 1.00 0.00 H new ATOM 0 HD21 ASN E 43 126.779 -5.998 -18.123 1.00 0.00 H new ATOM 0 HD22 ASN E 43 125.562 -4.743 -17.871 1.00 0.00 H new ATOM 813 N LEU E 44 121.989 -4.818 -14.253 1.00 0.00 N ATOM 814 CA LEU E 44 120.705 -4.227 -13.890 1.00 0.00 C ATOM 815 C LEU E 44 120.910 -2.912 -13.146 1.00 0.00 C ATOM 816 O LEU E 44 120.168 -1.949 -13.359 1.00 0.00 O ATOM 817 CB LEU E 44 119.913 -5.203 -13.007 1.00 0.00 C ATOM 818 CG LEU E 44 119.519 -6.450 -13.822 1.00 0.00 C ATOM 819 CD1 LEU E 44 119.113 -7.583 -12.872 1.00 0.00 C ATOM 820 CD2 LEU E 44 118.339 -6.114 -14.747 1.00 0.00 C ATOM 0 H LEU E 44 122.152 -5.742 -13.852 1.00 0.00 H new ATOM 0 HA LEU E 44 120.145 -4.027 -14.804 1.00 0.00 H new ATOM 0 HB2 LEU E 44 120.513 -5.496 -12.146 1.00 0.00 H new ATOM 0 HB3 LEU E 44 119.019 -4.713 -12.621 1.00 0.00 H new ATOM 0 HG LEU E 44 120.372 -6.767 -14.422 1.00 0.00 H new ATOM 0 HD11 LEU E 44 118.835 -8.463 -13.453 1.00 0.00 H new ATOM 0 HD12 LEU E 44 119.951 -7.829 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU E 44 118.264 -7.264 -12.268 1.00 0.00 H new ATOM 0 HD21 LEU E 44 118.064 -6.998 -15.321 1.00 0.00 H new ATOM 0 HD22 LEU E 44 117.488 -5.791 -14.148 1.00 0.00 H new ATOM 0 HD23 LEU E 44 118.627 -5.314 -15.429 1.00 0.00 H new ATOM 832 N LEU E 45 121.923 -2.877 -12.275 1.00 0.00 N ATOM 833 CA LEU E 45 122.217 -1.669 -11.511 1.00 0.00 C ATOM 834 C LEU E 45 122.628 -0.545 -12.457 1.00 0.00 C ATOM 835 O LEU E 45 122.256 0.612 -12.257 1.00 0.00 O ATOM 836 CB LEU E 45 123.336 -1.932 -10.485 1.00 0.00 C ATOM 837 CG LEU E 45 123.005 -1.256 -9.142 1.00 0.00 C ATOM 838 CD1 LEU E 45 124.206 -1.389 -8.196 1.00 0.00 C ATOM 839 CD2 LEU E 45 122.660 0.231 -9.366 1.00 0.00 C ATOM 0 H LEU E 45 122.545 -3.663 -12.085 1.00 0.00 H new ATOM 0 HA LEU E 45 121.318 -1.373 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU E 45 123.458 -3.005 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU E 45 124.284 -1.552 -10.866 1.00 0.00 H new ATOM 0 HG LEU E 45 122.140 -1.745 -8.694 1.00 0.00 H new ATOM 0 HD11 LEU E 45 123.974 -0.911 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU E 45 124.422 -2.444 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU E 45 125.076 -0.906 -8.642 1.00 0.00 H new ATOM 0 HD21 LEU E 45 122.428 0.699 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU E 45 123.511 0.738 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU E 45 121.797 0.309 -10.027 1.00 0.00 H new ATOM 851 N ALA E 46 123.380 -0.900 -13.512 1.00 0.00 N ATOM 852 CA ALA E 46 123.830 0.079 -14.515 1.00 0.00 C ATOM 853 C ALA E 46 122.630 0.796 -15.140 1.00 0.00 C ATOM 854 O ALA E 46 122.698 1.983 -15.469 1.00 0.00 O ATOM 855 CB ALA E 46 124.626 -0.638 -15.614 1.00 0.00 C ATOM 0 H ALA E 46 123.688 -1.855 -13.692 1.00 0.00 H new ATOM 0 HA ALA E 46 124.464 0.817 -14.023 1.00 0.00 H new ATOM 0 HB1 ALA E 46 124.958 0.089 -16.356 1.00 0.00 H new ATOM 0 HB2 ALA E 46 125.494 -1.129 -15.173 1.00 0.00 H new ATOM 0 HB3 ALA E 46 123.992 -1.383 -16.095 1.00 0.00 H new ATOM 861 N GLU E 47 121.535 0.050 -15.274 1.00 0.00 N ATOM 862 CA GLU E 47 120.297 0.580 -15.838 1.00 0.00 C ATOM 863 C GLU E 47 119.666 1.567 -14.886 1.00 0.00 C ATOM 864 O GLU E 47 119.185 2.623 -15.302 1.00 0.00 O ATOM 865 CB GLU E 47 119.290 -0.551 -16.057 1.00 0.00 C ATOM 866 CG GLU E 47 120.002 -1.748 -16.669 1.00 0.00 C ATOM 867 CD GLU E 47 119.004 -2.781 -17.219 1.00 0.00 C ATOM 868 OE1 GLU E 47 117.983 -3.008 -16.582 1.00 0.00 O ATOM 869 OE2 GLU E 47 119.279 -3.336 -18.271 1.00 0.00 O ATOM 0 H GLU E 47 121.481 -0.930 -14.997 1.00 0.00 H new ATOM 0 HA GLU E 47 120.544 1.065 -16.783 1.00 0.00 H new ATOM 0 HB2 GLU E 47 118.830 -0.832 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU E 47 118.487 -0.216 -16.714 1.00 0.00 H new ATOM 0 HG2 GLU E 47 120.657 -1.411 -17.472 1.00 0.00 H new ATOM 0 HG3 GLU E 47 120.636 -2.218 -15.917 1.00 0.00 H new ATOM 876 N ALA E 48 119.658 1.203 -13.601 1.00 0.00 N ATOM 877 CA ALA E 48 119.063 2.049 -12.601 1.00 0.00 C ATOM 878 C ALA E 48 119.921 3.281 -12.396 1.00 0.00 C ATOM 879 O ALA E 48 119.406 4.357 -12.108 1.00 0.00 O ATOM 880 CB ALA E 48 118.853 1.303 -11.288 1.00 0.00 C ATOM 0 H ALA E 48 120.056 0.334 -13.245 1.00 0.00 H new ATOM 0 HA ALA E 48 118.079 2.358 -12.953 1.00 0.00 H new ATOM 0 HB1 ALA E 48 118.402 1.974 -10.557 1.00 0.00 H new ATOM 0 HB2 ALA E 48 118.193 0.451 -11.455 1.00 0.00 H new ATOM 0 HB3 ALA E 48 119.813 0.950 -10.913 1.00 0.00 H new ATOM 886 N LYS E 49 121.235 3.120 -12.568 1.00 0.00 N ATOM 887 CA LYS E 49 122.145 4.243 -12.432 1.00 0.00 C ATOM 888 C LYS E 49 121.953 5.179 -13.608 1.00 0.00 C ATOM 889 O LYS E 49 121.887 6.398 -13.437 1.00 0.00 O ATOM 890 CB LYS E 49 123.590 3.770 -12.316 1.00 0.00 C ATOM 891 CG LYS E 49 123.794 3.218 -10.909 1.00 0.00 C ATOM 892 CD LYS E 49 125.199 2.635 -10.787 1.00 0.00 C ATOM 893 CE LYS E 49 125.350 1.908 -9.455 1.00 0.00 C ATOM 894 NZ LYS E 49 126.655 2.278 -8.831 1.00 0.00 N ATOM 0 H LYS E 49 121.682 2.232 -12.799 1.00 0.00 H new ATOM 0 HA LYS E 49 121.920 4.783 -11.512 1.00 0.00 H new ATOM 0 HB2 LYS E 49 123.801 3.002 -13.061 1.00 0.00 H new ATOM 0 HB3 LYS E 49 124.277 4.595 -12.505 1.00 0.00 H new ATOM 0 HG2 LYS E 49 123.652 4.009 -10.173 1.00 0.00 H new ATOM 0 HG3 LYS E 49 123.051 2.449 -10.698 1.00 0.00 H new ATOM 0 HD2 LYS E 49 125.388 1.946 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS E 49 125.940 3.431 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS E 49 124.528 2.172 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS E 49 125.301 0.830 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS E 49 126.893 1.588 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS E 49 127.400 2.278 -9.557 1.00 0.00 H new ATOM 0 HZ3 LYS E 49 126.582 3.226 -8.410 1.00 0.00 H new ATOM 908 N LYS E 50 121.782 4.598 -14.804 1.00 0.00 N ATOM 909 CA LYS E 50 121.497 5.398 -15.984 1.00 0.00 C ATOM 910 C LYS E 50 120.164 6.105 -15.735 1.00 0.00 C ATOM 911 O LYS E 50 119.949 7.230 -16.180 1.00 0.00 O ATOM 912 CB LYS E 50 121.420 4.502 -17.224 1.00 0.00 C ATOM 913 CG LYS E 50 122.840 4.049 -17.627 1.00 0.00 C ATOM 914 CD LYS E 50 122.786 2.740 -18.441 1.00 0.00 C ATOM 915 CE LYS E 50 121.963 2.930 -19.721 1.00 0.00 C ATOM 916 NZ LYS E 50 122.635 3.923 -20.609 1.00 0.00 N ATOM 0 H LYS E 50 121.837 3.593 -14.970 1.00 0.00 H new ATOM 0 HA LYS E 50 122.285 6.129 -16.163 1.00 0.00 H new ATOM 0 HB2 LYS E 50 120.795 3.633 -17.018 1.00 0.00 H new ATOM 0 HB3 LYS E 50 120.953 5.043 -18.047 1.00 0.00 H new ATOM 0 HG2 LYS E 50 123.322 4.829 -18.216 1.00 0.00 H new ATOM 0 HG3 LYS E 50 123.447 3.902 -16.734 1.00 0.00 H new ATOM 0 HD2 LYS E 50 123.797 2.423 -18.697 1.00 0.00 H new ATOM 0 HD3 LYS E 50 122.347 1.947 -17.835 1.00 0.00 H new ATOM 0 HE2 LYS E 50 121.856 1.978 -20.240 1.00 0.00 H new ATOM 0 HE3 LYS E 50 120.959 3.272 -19.471 1.00 0.00 H new ATOM 0 HZ1 LYS E 50 122.217 3.877 -21.560 1.00 0.00 H new ATOM 0 HZ2 LYS E 50 122.507 4.879 -20.220 1.00 0.00 H new ATOM 0 HZ3 LYS E 50 123.650 3.706 -20.667 1.00 0.00 H new ATOM 930 N LEU E 51 119.304 5.425 -14.957 1.00 0.00 N ATOM 931 CA LEU E 51 118.004 5.959 -14.555 1.00 0.00 C ATOM 932 C LEU E 51 118.224 7.082 -13.538 1.00 0.00 C ATOM 933 O LEU E 51 117.552 8.114 -13.583 1.00 0.00 O ATOM 934 CB LEU E 51 117.179 4.838 -13.907 1.00 0.00 C ATOM 935 CG LEU E 51 115.880 4.548 -14.666 1.00 0.00 C ATOM 936 CD1 LEU E 51 114.938 5.762 -14.613 1.00 0.00 C ATOM 937 CD2 LEU E 51 116.181 4.172 -16.130 1.00 0.00 C ATOM 0 H LEU E 51 119.496 4.492 -14.593 1.00 0.00 H new ATOM 0 HA LEU E 51 117.473 6.347 -15.424 1.00 0.00 H new ATOM 0 HB2 LEU E 51 117.780 3.930 -13.862 1.00 0.00 H new ATOM 0 HB3 LEU E 51 116.941 5.114 -12.880 1.00 0.00 H new ATOM 0 HG LEU E 51 115.386 3.704 -14.184 1.00 0.00 H new ATOM 0 HD11 LEU E 51 114.022 5.535 -15.158 1.00 0.00 H new ATOM 0 HD12 LEU E 51 114.696 5.990 -13.575 1.00 0.00 H new ATOM 0 HD13 LEU E 51 115.428 6.623 -15.069 1.00 0.00 H new ATOM 0 HD21 LEU E 51 115.246 3.970 -16.653 1.00 0.00 H new ATOM 0 HD22 LEU E 51 116.699 4.997 -16.619 1.00 0.00 H new ATOM 0 HD23 LEU E 51 116.811 3.283 -16.155 1.00 0.00 H new ATOM 949 N ASN E 52 119.195 6.861 -12.628 1.00 0.00 N ATOM 950 CA ASN E 52 119.544 7.847 -11.602 1.00 0.00 C ATOM 951 C ASN E 52 119.906 9.155 -12.296 1.00 0.00 C ATOM 952 O ASN E 52 119.522 10.241 -11.854 1.00 0.00 O ATOM 953 CB ASN E 52 120.727 7.345 -10.736 1.00 0.00 C ATOM 954 CG ASN E 52 121.008 8.346 -9.614 1.00 0.00 C ATOM 955 OD1 ASN E 52 122.116 8.871 -9.512 1.00 0.00 O ATOM 956 ND2 ASN E 52 120.063 8.652 -8.770 1.00 0.00 N ATOM 0 H ASN E 52 119.748 6.005 -12.589 1.00 0.00 H new ATOM 0 HA ASN E 52 118.694 8.002 -10.937 1.00 0.00 H new ATOM 0 HB2 ASN E 52 120.492 6.368 -10.314 1.00 0.00 H new ATOM 0 HB3 ASN E 52 121.615 7.219 -11.355 1.00 0.00 H new ATOM 0 HD21 ASN E 52 120.242 9.326 -8.026 1.00 0.00 H new ATOM 0 HD22 ASN E 52 119.144 8.217 -8.854 1.00 0.00 H new ATOM 963 N ASP E 53 120.618 9.013 -13.417 1.00 0.00 N ATOM 964 CA ASP E 53 121.015 10.153 -14.240 1.00 0.00 C ATOM 965 C ASP E 53 119.844 10.616 -15.121 1.00 0.00 C ATOM 966 O ASP E 53 119.721 11.803 -15.431 1.00 0.00 O ATOM 967 CB ASP E 53 122.193 9.766 -15.145 1.00 0.00 C ATOM 968 CG ASP E 53 123.424 9.388 -14.308 1.00 0.00 C ATOM 969 OD1 ASP E 53 123.894 10.231 -13.559 1.00 0.00 O ATOM 970 OD2 ASP E 53 123.886 8.265 -14.441 1.00 0.00 O ATOM 0 H ASP E 53 120.932 8.111 -13.776 1.00 0.00 H new ATOM 0 HA ASP E 53 121.311 10.964 -13.575 1.00 0.00 H new ATOM 0 HB2 ASP E 53 121.909 8.927 -15.781 1.00 0.00 H new ATOM 0 HB3 ASP E 53 122.438 10.598 -15.805 1.00 0.00 H new ATOM 975 N ALA E 54 119.010 9.656 -15.539 1.00 0.00 N ATOM 976 CA ALA E 54 117.856 9.938 -16.407 1.00 0.00 C ATOM 977 C ALA E 54 116.784 10.755 -15.685 1.00 0.00 C ATOM 978 O ALA E 54 116.080 11.549 -16.314 1.00 0.00 O ATOM 979 CB ALA E 54 117.228 8.620 -16.892 1.00 0.00 C ATOM 0 H ALA E 54 119.112 8.672 -15.290 1.00 0.00 H new ATOM 0 HA ALA E 54 118.224 10.520 -17.252 1.00 0.00 H new ATOM 0 HB1 ALA E 54 116.374 8.838 -17.534 1.00 0.00 H new ATOM 0 HB2 ALA E 54 117.968 8.049 -17.453 1.00 0.00 H new ATOM 0 HB3 ALA E 54 116.896 8.037 -16.033 1.00 0.00 H new ATOM 985 N GLN E 55 116.654 10.535 -14.372 1.00 0.00 N ATOM 986 CA GLN E 55 115.645 11.234 -13.562 1.00 0.00 C ATOM 987 C GLN E 55 116.306 12.191 -12.575 1.00 0.00 C ATOM 988 O GLN E 55 115.649 12.758 -11.697 1.00 0.00 O ATOM 989 CB GLN E 55 114.771 10.209 -12.828 1.00 0.00 C ATOM 990 CG GLN E 55 114.094 9.300 -13.869 1.00 0.00 C ATOM 991 CD GLN E 55 113.014 8.411 -13.239 1.00 0.00 C ATOM 992 OE1 GLN E 55 112.409 7.594 -13.934 1.00 0.00 O ATOM 993 NE2 GLN E 55 112.720 8.522 -11.973 1.00 0.00 N ATOM 0 H GLN E 55 117.233 9.880 -13.847 1.00 0.00 H new ATOM 0 HA GLN E 55 115.013 11.827 -14.223 1.00 0.00 H new ATOM 0 HB2 GLN E 55 115.379 9.614 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN E 55 114.019 10.717 -12.225 1.00 0.00 H new ATOM 0 HG2 GLN E 55 113.647 9.914 -14.651 1.00 0.00 H new ATOM 0 HG3 GLN E 55 114.847 8.673 -14.347 1.00 0.00 H new ATOM 0 HE21 GLN E 55 113.217 9.197 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN E 55 111.993 7.934 -11.565 1.00 0.00 H new ATOM 1002 N ALA E 56 117.615 12.349 -12.740 1.00 0.00 N ATOM 1003 CA ALA E 56 118.420 13.205 -11.900 1.00 0.00 C ATOM 1004 C ALA E 56 117.905 14.645 -11.890 1.00 0.00 C ATOM 1005 O ALA E 56 117.142 15.056 -12.769 1.00 0.00 O ATOM 1006 CB ALA E 56 119.867 13.161 -12.397 1.00 0.00 C ATOM 0 H ALA E 56 118.146 11.877 -13.472 1.00 0.00 H new ATOM 0 HA ALA E 56 118.362 12.840 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA E 56 120.486 13.804 -11.771 1.00 0.00 H new ATOM 0 HB2 ALA E 56 120.238 12.137 -12.346 1.00 0.00 H new ATOM 0 HB3 ALA E 56 119.908 13.511 -13.429 1.00 0.00 H new TER 1012 ALA E 56 ATOM 1013 N GLY F 14 117.872 10.638 10.320 1.00 0.00 N ATOM 1014 CA GLY F 14 119.275 10.222 10.410 1.00 0.00 C ATOM 1015 C GLY F 14 119.400 8.735 10.672 1.00 0.00 C ATOM 1016 O GLY F 14 120.512 8.200 10.713 1.00 0.00 O ATOM 0 HA2 GLY F 14 119.790 10.473 9.483 1.00 0.00 H new ATOM 0 HA3 GLY F 14 119.769 10.776 11.209 1.00 0.00 H new ATOM 1020 N GLU F 15 118.262 8.074 10.850 1.00 0.00 N ATOM 1021 CA GLU F 15 118.252 6.650 11.110 1.00 0.00 C ATOM 1022 C GLU F 15 118.175 5.875 9.807 1.00 0.00 C ATOM 1023 O GLU F 15 117.485 6.284 8.874 1.00 0.00 O ATOM 1024 CB GLU F 15 117.056 6.281 11.975 1.00 0.00 C ATOM 1025 CG GLU F 15 117.317 4.919 12.602 1.00 0.00 C ATOM 1026 CD GLU F 15 116.146 4.498 13.497 1.00 0.00 C ATOM 1027 OE1 GLU F 15 115.067 4.281 12.968 1.00 0.00 O ATOM 1028 OE2 GLU F 15 116.346 4.399 14.697 1.00 0.00 O ATOM 0 H GLU F 15 117.338 8.506 10.818 1.00 0.00 H new ATOM 0 HA GLU F 15 119.174 6.394 11.632 1.00 0.00 H new ATOM 0 HB2 GLU F 15 116.903 7.032 12.750 1.00 0.00 H new ATOM 0 HB3 GLU F 15 116.147 6.254 11.374 1.00 0.00 H new ATOM 0 HG2 GLU F 15 117.467 4.176 11.819 1.00 0.00 H new ATOM 0 HG3 GLU F 15 118.235 4.954 13.189 1.00 0.00 H new ATOM 1035 N ILE F 16 118.884 4.756 9.763 1.00 0.00 N ATOM 1036 CA ILE F 16 118.905 3.905 8.581 1.00 0.00 C ATOM 1037 C ILE F 16 118.292 2.540 8.890 1.00 0.00 C ATOM 1038 O ILE F 16 118.424 2.021 10.002 1.00 0.00 O ATOM 1039 CB ILE F 16 120.345 3.748 8.093 1.00 0.00 C ATOM 1040 CG1 ILE F 16 120.879 5.111 7.608 1.00 0.00 C ATOM 1041 CG2 ILE F 16 120.405 2.721 6.946 1.00 0.00 C ATOM 1042 CD1 ILE F 16 122.364 5.001 7.240 1.00 0.00 C ATOM 0 H ILE F 16 119.455 4.415 10.536 1.00 0.00 H new ATOM 0 HA ILE F 16 118.310 4.371 7.796 1.00 0.00 H new ATOM 0 HB ILE F 16 120.965 3.392 8.916 1.00 0.00 H new ATOM 0 HG12 ILE F 16 120.307 5.446 6.743 1.00 0.00 H new ATOM 0 HG13 ILE F 16 120.745 5.860 8.388 1.00 0.00 H new ATOM 0 HG21 ILE F 16 121.435 2.616 6.605 1.00 0.00 H new ATOM 0 HG22 ILE F 16 120.040 1.757 7.301 1.00 0.00 H new ATOM 0 HG23 ILE F 16 119.782 3.062 6.119 1.00 0.00 H new ATOM 0 HD11 ILE F 16 122.727 5.971 6.899 1.00 0.00 H new ATOM 0 HD12 ILE F 16 122.933 4.687 8.115 1.00 0.00 H new ATOM 0 HD13 ILE F 16 122.488 4.267 6.444 1.00 0.00 H new ATOM 1054 N VAL F 17 117.610 1.987 7.886 1.00 0.00 N ATOM 1055 CA VAL F 17 116.944 0.693 8.003 1.00 0.00 C ATOM 1056 C VAL F 17 117.335 -0.206 6.828 1.00 0.00 C ATOM 1057 O VAL F 17 117.028 0.113 5.679 1.00 0.00 O ATOM 1058 CB VAL F 17 115.427 0.946 8.011 1.00 0.00 C ATOM 1059 CG1 VAL F 17 114.642 -0.327 7.646 1.00 0.00 C ATOM 1060 CG2 VAL F 17 115.003 1.432 9.405 1.00 0.00 C ATOM 0 H VAL F 17 117.505 2.425 6.971 1.00 0.00 H new ATOM 0 HA VAL F 17 117.243 0.188 8.921 1.00 0.00 H new ATOM 0 HB VAL F 17 115.202 1.706 7.262 1.00 0.00 H new ATOM 0 HG11 VAL F 17 113.573 -0.112 7.661 1.00 0.00 H new ATOM 0 HG12 VAL F 17 114.931 -0.659 6.649 1.00 0.00 H new ATOM 0 HG13 VAL F 17 114.865 -1.112 8.369 1.00 0.00 H new ATOM 0 HG21 VAL F 17 113.928 1.613 9.416 1.00 0.00 H new ATOM 0 HG22 VAL F 17 115.251 0.672 10.146 1.00 0.00 H new ATOM 0 HG23 VAL F 17 115.529 2.356 9.644 1.00 0.00 H new ATOM 1070 N TYR F 18 117.998 -1.329 7.131 1.00 0.00 N ATOM 1071 CA TYR F 18 118.428 -2.280 6.098 1.00 0.00 C ATOM 1072 C TYR F 18 117.397 -3.386 5.929 1.00 0.00 C ATOM 1073 O TYR F 18 116.875 -3.916 6.913 1.00 0.00 O ATOM 1074 CB TYR F 18 119.799 -2.885 6.476 1.00 0.00 C ATOM 1075 CG TYR F 18 120.921 -2.055 5.873 1.00 0.00 C ATOM 1076 CD1 TYR F 18 120.815 -0.659 5.813 1.00 0.00 C ATOM 1077 CD2 TYR F 18 122.065 -2.686 5.362 1.00 0.00 C ATOM 1078 CE1 TYR F 18 121.835 0.099 5.245 1.00 0.00 C ATOM 1079 CE2 TYR F 18 123.091 -1.921 4.793 1.00 0.00 C ATOM 1080 CZ TYR F 18 122.974 -0.528 4.732 1.00 0.00 C ATOM 1081 OH TYR F 18 123.985 0.225 4.172 1.00 0.00 O ATOM 0 H TYR F 18 118.248 -1.601 8.082 1.00 0.00 H new ATOM 0 HA TYR F 18 118.522 -1.748 5.152 1.00 0.00 H new ATOM 0 HB2 TYR F 18 119.904 -2.919 7.560 1.00 0.00 H new ATOM 0 HB3 TYR F 18 119.863 -3.912 6.117 1.00 0.00 H new ATOM 0 HD1 TYR F 18 119.938 -0.169 6.209 1.00 0.00 H new ATOM 0 HD2 TYR F 18 122.155 -3.761 5.407 1.00 0.00 H new ATOM 0 HE1 TYR F 18 121.746 1.174 5.201 1.00 0.00 H new ATOM 0 HE2 TYR F 18 123.973 -2.406 4.401 1.00 0.00 H new ATOM 0 HH TYR F 18 123.673 0.617 3.330 1.00 0.00 H new ATOM 1091 N LEU F 19 117.101 -3.708 4.663 1.00 0.00 N ATOM 1092 CA LEU F 19 116.105 -4.740 4.338 1.00 0.00 C ATOM 1093 C LEU F 19 116.723 -5.852 3.460 1.00 0.00 C ATOM 1094 O LEU F 19 116.485 -5.902 2.249 1.00 0.00 O ATOM 1095 CB LEU F 19 114.901 -4.084 3.622 1.00 0.00 C ATOM 1096 CG LEU F 19 114.455 -2.807 4.371 1.00 0.00 C ATOM 1097 CD1 LEU F 19 113.493 -1.995 3.496 1.00 0.00 C ATOM 1098 CD2 LEU F 19 113.753 -3.187 5.684 1.00 0.00 C ATOM 0 H LEU F 19 117.534 -3.271 3.849 1.00 0.00 H new ATOM 0 HA LEU F 19 115.764 -5.204 5.263 1.00 0.00 H new ATOM 0 HB2 LEU F 19 115.172 -3.835 2.596 1.00 0.00 H new ATOM 0 HB3 LEU F 19 114.072 -4.790 3.570 1.00 0.00 H new ATOM 0 HG LEU F 19 115.336 -2.205 4.593 1.00 0.00 H new ATOM 0 HD11 LEU F 19 113.184 -1.097 4.031 1.00 0.00 H new ATOM 0 HD12 LEU F 19 113.994 -1.711 2.571 1.00 0.00 H new ATOM 0 HD13 LEU F 19 112.616 -2.599 3.263 1.00 0.00 H new ATOM 0 HD21 LEU F 19 113.442 -2.282 6.206 1.00 0.00 H new ATOM 0 HD22 LEU F 19 112.878 -3.798 5.465 1.00 0.00 H new ATOM 0 HD23 LEU F 19 114.441 -3.751 6.314 1.00 0.00 H new ATOM 1110 N PRO F 20 117.511 -6.742 4.050 1.00 0.00 N ATOM 1111 CA PRO F 20 118.170 -7.867 3.313 1.00 0.00 C ATOM 1112 C PRO F 20 117.271 -9.104 3.179 1.00 0.00 C ATOM 1113 O PRO F 20 117.120 -9.651 2.083 1.00 0.00 O ATOM 1114 CB PRO F 20 119.390 -8.173 4.183 1.00 0.00 C ATOM 1115 CG PRO F 20 118.966 -7.849 5.581 1.00 0.00 C ATOM 1116 CD PRO F 20 117.871 -6.775 5.483 1.00 0.00 C ATOM 0 HA PRO F 20 118.411 -7.598 2.285 1.00 0.00 H new ATOM 0 HB2 PRO F 20 119.685 -9.218 4.093 1.00 0.00 H new ATOM 0 HB3 PRO F 20 120.249 -7.572 3.883 1.00 0.00 H new ATOM 0 HG2 PRO F 20 118.589 -8.739 6.085 1.00 0.00 H new ATOM 0 HG3 PRO F 20 119.811 -7.485 6.165 1.00 0.00 H new ATOM 0 HD2 PRO F 20 117.011 -7.028 6.103 1.00 0.00 H new ATOM 0 HD3 PRO F 20 118.235 -5.805 5.823 1.00 0.00 H new ATOM 1124 N ASN F 21 116.695 -9.542 4.304 1.00 0.00 N ATOM 1125 CA ASN F 21 115.825 -10.729 4.325 1.00 0.00 C ATOM 1126 C ASN F 21 114.403 -10.394 3.858 1.00 0.00 C ATOM 1127 O ASN F 21 113.491 -11.224 3.971 1.00 0.00 O ATOM 1128 CB ASN F 21 115.768 -11.304 5.750 1.00 0.00 C ATOM 1129 CG ASN F 21 117.162 -11.688 6.244 1.00 0.00 C ATOM 1130 OD1 ASN F 21 117.985 -12.194 5.479 1.00 0.00 O ATOM 1131 ND2 ASN F 21 117.473 -11.481 7.491 1.00 0.00 N ATOM 0 H ASN F 21 116.814 -9.094 5.213 1.00 0.00 H new ATOM 0 HA ASN F 21 116.246 -11.464 3.639 1.00 0.00 H new ATOM 0 HB2 ASN F 21 115.329 -10.569 6.425 1.00 0.00 H new ATOM 0 HB3 ASN F 21 115.119 -12.179 5.767 1.00 0.00 H new ATOM 0 HD21 ASN F 21 118.398 -11.738 7.835 1.00 0.00 H new ATOM 0 HD22 ASN F 21 116.791 -11.062 8.124 1.00 0.00 H new ATOM 1138 N LEU F 22 114.220 -9.179 3.341 1.00 0.00 N ATOM 1139 CA LEU F 22 112.911 -8.731 2.864 1.00 0.00 C ATOM 1140 C LEU F 22 112.657 -9.216 1.436 1.00 0.00 C ATOM 1141 O LEU F 22 113.601 -9.431 0.669 1.00 0.00 O ATOM 1142 CB LEU F 22 112.850 -7.200 2.906 1.00 0.00 C ATOM 1143 CG LEU F 22 111.433 -6.732 3.298 1.00 0.00 C ATOM 1144 CD1 LEU F 22 111.397 -6.366 4.796 1.00 0.00 C ATOM 1145 CD2 LEU F 22 111.048 -5.510 2.445 1.00 0.00 C ATOM 0 H LEU F 22 114.962 -8.487 3.242 1.00 0.00 H new ATOM 0 HA LEU F 22 112.142 -9.151 3.512 1.00 0.00 H new ATOM 0 HB2 LEU F 22 113.578 -6.820 3.623 1.00 0.00 H new ATOM 0 HB3 LEU F 22 113.119 -6.792 1.932 1.00 0.00 H new ATOM 0 HG LEU F 22 110.720 -7.537 3.118 1.00 0.00 H new ATOM 0 HD11 LEU F 22 110.394 -6.036 5.066 1.00 0.00 H new ATOM 0 HD12 LEU F 22 111.664 -7.240 5.391 1.00 0.00 H new ATOM 0 HD13 LEU F 22 112.108 -5.563 4.992 1.00 0.00 H new ATOM 0 HD21 LEU F 22 110.047 -5.176 2.719 1.00 0.00 H new ATOM 0 HD22 LEU F 22 111.760 -4.704 2.621 1.00 0.00 H new ATOM 0 HD23 LEU F 22 111.063 -5.783 1.390 1.00 0.00 H new ATOM 1157 N ASN F 23 111.374 -9.368 1.081 1.00 0.00 N ATOM 1158 CA ASN F 23 110.998 -9.808 -0.264 1.00 0.00 C ATOM 1159 C ASN F 23 110.827 -8.584 -1.168 1.00 0.00 C ATOM 1160 O ASN F 23 110.466 -7.509 -0.680 1.00 0.00 O ATOM 1161 CB ASN F 23 109.682 -10.600 -0.207 1.00 0.00 C ATOM 1162 CG ASN F 23 109.845 -11.835 0.676 1.00 0.00 C ATOM 1163 OD1 ASN F 23 110.661 -12.708 0.381 1.00 0.00 O ATOM 1164 ND2 ASN F 23 109.114 -11.962 1.749 1.00 0.00 N ATOM 0 H ASN F 23 110.585 -9.193 1.704 1.00 0.00 H new ATOM 0 HA ASN F 23 111.781 -10.451 -0.666 1.00 0.00 H new ATOM 0 HB2 ASN F 23 108.885 -9.967 0.184 1.00 0.00 H new ATOM 0 HB3 ASN F 23 109.386 -10.900 -1.212 1.00 0.00 H new ATOM 0 HD21 ASN F 23 109.219 -12.784 2.343 1.00 0.00 H new ATOM 0 HD22 ASN F 23 108.438 -11.239 1.994 1.00 0.00 H new ATOM 1171 N PRO F 24 111.070 -8.702 -2.460 1.00 0.00 N ATOM 1172 CA PRO F 24 110.921 -7.543 -3.389 1.00 0.00 C ATOM 1173 C PRO F 24 109.484 -7.037 -3.395 1.00 0.00 C ATOM 1174 O PRO F 24 109.239 -5.834 -3.523 1.00 0.00 O ATOM 1175 CB PRO F 24 111.343 -8.090 -4.759 1.00 0.00 C ATOM 1176 CG PRO F 24 111.238 -9.576 -4.645 1.00 0.00 C ATOM 1177 CD PRO F 24 111.500 -9.918 -3.176 1.00 0.00 C ATOM 0 HA PRO F 24 111.529 -6.687 -3.096 1.00 0.00 H new ATOM 0 HB2 PRO F 24 110.696 -7.710 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO F 24 112.360 -7.786 -5.007 1.00 0.00 H new ATOM 0 HG2 PRO F 24 110.251 -9.920 -4.953 1.00 0.00 H new ATOM 0 HG3 PRO F 24 111.964 -10.067 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO F 24 110.932 -10.793 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO F 24 112.552 -10.139 -2.996 1.00 0.00 H new ATOM 1185 N ASP F 25 108.541 -7.968 -3.208 1.00 0.00 N ATOM 1186 CA ASP F 25 107.124 -7.622 -3.140 1.00 0.00 C ATOM 1187 C ASP F 25 106.918 -6.638 -1.999 1.00 0.00 C ATOM 1188 O ASP F 25 106.215 -5.632 -2.133 1.00 0.00 O ATOM 1189 CB ASP F 25 106.300 -8.882 -2.864 1.00 0.00 C ATOM 1190 CG ASP F 25 104.806 -8.568 -2.969 1.00 0.00 C ATOM 1191 OD1 ASP F 25 104.294 -8.582 -4.077 1.00 0.00 O ATOM 1192 OD2 ASP F 25 104.197 -8.316 -1.941 1.00 0.00 O ATOM 0 H ASP F 25 108.737 -8.963 -3.102 1.00 0.00 H new ATOM 0 HA ASP F 25 106.807 -7.181 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP F 25 106.566 -9.663 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP F 25 106.530 -9.265 -1.870 1.00 0.00 H new ATOM 1197 N GLN F 26 107.577 -6.948 -0.881 1.00 0.00 N ATOM 1198 CA GLN F 26 107.524 -6.113 0.305 1.00 0.00 C ATOM 1199 C GLN F 26 108.227 -4.777 0.045 1.00 0.00 C ATOM 1200 O GLN F 26 107.766 -3.737 0.518 1.00 0.00 O ATOM 1201 CB GLN F 26 108.164 -6.849 1.488 1.00 0.00 C ATOM 1202 CG GLN F 26 107.316 -8.072 1.878 1.00 0.00 C ATOM 1203 CD GLN F 26 105.912 -7.648 2.318 1.00 0.00 C ATOM 1204 OE1 GLN F 26 104.928 -8.269 1.922 1.00 0.00 O ATOM 1205 NE2 GLN F 26 105.759 -6.625 3.115 1.00 0.00 N ATOM 0 H GLN F 26 108.157 -7.781 -0.779 1.00 0.00 H new ATOM 0 HA GLN F 26 106.483 -5.904 0.551 1.00 0.00 H new ATOM 0 HB2 GLN F 26 109.173 -7.167 1.225 1.00 0.00 H new ATOM 0 HB3 GLN F 26 108.254 -6.174 2.339 1.00 0.00 H new ATOM 0 HG2 GLN F 26 107.245 -8.755 1.031 1.00 0.00 H new ATOM 0 HG3 GLN F 26 107.806 -8.616 2.686 1.00 0.00 H new ATOM 0 HE21 GLN F 26 106.575 -6.109 3.444 1.00 0.00 H new ATOM 0 HE22 GLN F 26 104.824 -6.342 3.408 1.00 0.00 H new ATOM 1214 N LEU F 27 109.337 -4.807 -0.717 1.00 0.00 N ATOM 1215 CA LEU F 27 110.073 -3.578 -1.035 1.00 0.00 C ATOM 1216 C LEU F 27 109.204 -2.626 -1.857 1.00 0.00 C ATOM 1217 O LEU F 27 109.182 -1.426 -1.593 1.00 0.00 O ATOM 1218 CB LEU F 27 111.362 -3.889 -1.817 1.00 0.00 C ATOM 1219 CG LEU F 27 112.417 -4.527 -0.895 1.00 0.00 C ATOM 1220 CD1 LEU F 27 113.622 -4.991 -1.727 1.00 0.00 C ATOM 1221 CD2 LEU F 27 112.898 -3.497 0.142 1.00 0.00 C ATOM 0 H LEU F 27 109.735 -5.657 -1.116 1.00 0.00 H new ATOM 0 HA LEU F 27 110.338 -3.103 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU F 27 111.138 -4.564 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU F 27 111.759 -2.972 -2.253 1.00 0.00 H new ATOM 0 HG LEU F 27 111.968 -5.380 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU F 27 114.366 -5.442 -1.070 1.00 0.00 H new ATOM 0 HD12 LEU F 27 113.295 -5.726 -2.463 1.00 0.00 H new ATOM 0 HD13 LEU F 27 114.062 -4.135 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU F 27 113.644 -3.955 0.791 1.00 0.00 H new ATOM 0 HD22 LEU F 27 113.339 -2.643 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU F 27 112.052 -3.162 0.742 1.00 0.00 H new ATOM 1233 N CYS F 28 108.488 -3.167 -2.849 1.00 0.00 N ATOM 1234 CA CYS F 28 107.620 -2.336 -3.688 1.00 0.00 C ATOM 1235 C CYS F 28 106.525 -1.697 -2.836 1.00 0.00 C ATOM 1236 O CYS F 28 106.276 -0.493 -2.931 1.00 0.00 O ATOM 1237 CB CYS F 28 106.997 -3.174 -4.811 1.00 0.00 C ATOM 1238 SG CYS F 28 106.237 -2.076 -6.038 1.00 0.00 S ATOM 0 H CYS F 28 108.491 -4.159 -3.087 1.00 0.00 H new ATOM 0 HA CYS F 28 108.222 -1.547 -4.139 1.00 0.00 H new ATOM 0 HB2 CYS F 28 107.760 -3.792 -5.284 1.00 0.00 H new ATOM 0 HB3 CYS F 28 106.248 -3.851 -4.401 1.00 0.00 H new ATOM 1243 N ALA F 29 105.896 -2.517 -1.989 1.00 0.00 N ATOM 1244 CA ALA F 29 104.843 -2.039 -1.092 1.00 0.00 C ATOM 1245 C ALA F 29 105.421 -1.015 -0.113 1.00 0.00 C ATOM 1246 O ALA F 29 104.779 -0.008 0.211 1.00 0.00 O ATOM 1247 CB ALA F 29 104.262 -3.221 -0.307 1.00 0.00 C ATOM 0 H ALA F 29 106.098 -3.513 -1.907 1.00 0.00 H new ATOM 0 HA ALA F 29 104.056 -1.570 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA F 29 103.478 -2.864 0.361 1.00 0.00 H new ATOM 0 HB2 ALA F 29 103.843 -3.949 -1.002 1.00 0.00 H new ATOM 0 HB3 ALA F 29 105.051 -3.692 0.279 1.00 0.00 H new ATOM 1253 N PHE F 30 106.642 -1.297 0.345 1.00 0.00 N ATOM 1254 CA PHE F 30 107.345 -0.433 1.286 1.00 0.00 C ATOM 1255 C PHE F 30 107.672 0.918 0.648 1.00 0.00 C ATOM 1256 O PHE F 30 107.335 1.961 1.200 1.00 0.00 O ATOM 1257 CB PHE F 30 108.641 -1.147 1.730 1.00 0.00 C ATOM 1258 CG PHE F 30 109.574 -0.202 2.469 1.00 0.00 C ATOM 1259 CD1 PHE F 30 109.144 0.438 3.639 1.00 0.00 C ATOM 1260 CD2 PHE F 30 110.875 0.029 1.982 1.00 0.00 C ATOM 1261 CE1 PHE F 30 110.006 1.304 4.320 1.00 0.00 C ATOM 1262 CE2 PHE F 30 111.732 0.896 2.666 1.00 0.00 C ATOM 1263 CZ PHE F 30 111.297 1.532 3.834 1.00 0.00 C ATOM 0 H PHE F 30 107.167 -2.128 0.073 1.00 0.00 H new ATOM 0 HA PHE F 30 106.709 -0.242 2.150 1.00 0.00 H new ATOM 0 HB2 PHE F 30 108.391 -1.990 2.374 1.00 0.00 H new ATOM 0 HB3 PHE F 30 109.151 -1.554 0.857 1.00 0.00 H new ATOM 0 HD1 PHE F 30 108.147 0.263 4.015 1.00 0.00 H new ATOM 0 HD2 PHE F 30 111.210 -0.463 1.081 1.00 0.00 H new ATOM 0 HE1 PHE F 30 109.674 1.797 5.222 1.00 0.00 H new ATOM 0 HE2 PHE F 30 112.730 1.075 2.293 1.00 0.00 H new ATOM 0 HZ PHE F 30 111.961 2.201 4.362 1.00 0.00 H new ATOM 1273 N ILE F 31 108.336 0.879 -0.508 1.00 0.00 N ATOM 1274 CA ILE F 31 108.730 2.101 -1.215 1.00 0.00 C ATOM 1275 C ILE F 31 107.516 2.924 -1.650 1.00 0.00 C ATOM 1276 O ILE F 31 107.561 4.157 -1.616 1.00 0.00 O ATOM 1277 CB ILE F 31 109.620 1.747 -2.420 1.00 0.00 C ATOM 1278 CG1 ILE F 31 110.919 1.107 -1.900 1.00 0.00 C ATOM 1279 CG2 ILE F 31 109.967 3.017 -3.219 1.00 0.00 C ATOM 1280 CD1 ILE F 31 111.741 0.548 -3.068 1.00 0.00 C ATOM 0 H ILE F 31 108.613 0.016 -0.975 1.00 0.00 H new ATOM 0 HA ILE F 31 109.301 2.722 -0.525 1.00 0.00 H new ATOM 0 HB ILE F 31 109.088 1.055 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE F 31 111.505 1.848 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE F 31 110.683 0.308 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE F 31 110.597 2.752 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE F 31 109.049 3.482 -3.579 1.00 0.00 H new ATOM 0 HG23 ILE F 31 110.501 3.717 -2.576 1.00 0.00 H new ATOM 0 HD11 ILE F 31 112.657 0.098 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE F 31 111.158 -0.208 -3.594 1.00 0.00 H new ATOM 0 HD13 ILE F 31 111.993 1.356 -3.755 1.00 0.00 H new ATOM 1292 N HIS F 32 106.441 2.246 -2.057 1.00 0.00 N ATOM 1293 CA HIS F 32 105.227 2.940 -2.496 1.00 0.00 C ATOM 1294 C HIS F 32 104.659 3.794 -1.356 1.00 0.00 C ATOM 1295 O HIS F 32 104.343 4.969 -1.549 1.00 0.00 O ATOM 1296 CB HIS F 32 104.178 1.913 -2.959 1.00 0.00 C ATOM 1297 CG HIS F 32 102.981 2.618 -3.548 1.00 0.00 C ATOM 1298 ND1 HIS F 32 103.051 3.317 -4.742 1.00 0.00 N ATOM 1299 CD2 HIS F 32 101.683 2.740 -3.117 1.00 0.00 C ATOM 1300 CE1 HIS F 32 101.828 3.824 -4.987 1.00 0.00 C ATOM 1301 NE2 HIS F 32 100.956 3.502 -4.027 1.00 0.00 N ATOM 0 H HIS F 32 106.385 1.228 -2.092 1.00 0.00 H new ATOM 0 HA HIS F 32 105.478 3.596 -3.330 1.00 0.00 H new ATOM 0 HB2 HIS F 32 104.616 1.244 -3.700 1.00 0.00 H new ATOM 0 HB3 HIS F 32 103.867 1.295 -2.116 1.00 0.00 H new ATOM 0 HD2 HIS F 32 101.286 2.310 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS F 32 101.582 4.419 -5.854 1.00 0.00 H new ATOM 0 HE2 HIS F 32 99.970 3.759 -3.973 1.00 0.00 H new ATOM 1310 N SER F 33 104.545 3.186 -0.172 1.00 0.00 N ATOM 1311 CA SER F 33 104.022 3.880 1.008 1.00 0.00 C ATOM 1312 C SER F 33 105.053 4.881 1.538 1.00 0.00 C ATOM 1313 O SER F 33 104.707 5.986 1.965 1.00 0.00 O ATOM 1314 CB SER F 33 103.674 2.856 2.095 1.00 0.00 C ATOM 1315 OG SER F 33 102.903 1.803 1.524 1.00 0.00 O ATOM 0 H SER F 33 104.808 2.215 -0.005 1.00 0.00 H new ATOM 0 HA SER F 33 103.122 4.427 0.728 1.00 0.00 H new ATOM 0 HB2 SER F 33 104.586 2.455 2.538 1.00 0.00 H new ATOM 0 HB3 SER F 33 103.115 3.337 2.898 1.00 0.00 H new ATOM 0 HG SER F 33 103.498 1.171 1.070 1.00 0.00 H new ATOM 1321 N LEU F 34 106.318 4.463 1.494 1.00 0.00 N ATOM 1322 CA LEU F 34 107.447 5.277 1.953 1.00 0.00 C ATOM 1323 C LEU F 34 107.513 6.598 1.181 1.00 0.00 C ATOM 1324 O LEU F 34 107.752 7.656 1.770 1.00 0.00 O ATOM 1325 CB LEU F 34 108.724 4.446 1.739 1.00 0.00 C ATOM 1326 CG LEU F 34 110.001 5.191 2.145 1.00 0.00 C ATOM 1327 CD1 LEU F 34 110.192 5.087 3.664 1.00 0.00 C ATOM 1328 CD2 LEU F 34 111.205 4.545 1.427 1.00 0.00 C ATOM 0 H LEU F 34 106.591 3.547 1.138 1.00 0.00 H new ATOM 0 HA LEU F 34 107.334 5.534 3.006 1.00 0.00 H new ATOM 0 HB2 LEU F 34 108.650 3.523 2.314 1.00 0.00 H new ATOM 0 HB3 LEU F 34 108.794 4.162 0.689 1.00 0.00 H new ATOM 0 HG LEU F 34 109.924 6.241 1.864 1.00 0.00 H new ATOM 0 HD11 LEU F 34 111.100 5.616 3.954 1.00 0.00 H new ATOM 0 HD12 LEU F 34 109.335 5.532 4.170 1.00 0.00 H new ATOM 0 HD13 LEU F 34 110.277 4.038 3.949 1.00 0.00 H new ATOM 0 HD21 LEU F 34 112.119 5.067 1.708 1.00 0.00 H new ATOM 0 HD22 LEU F 34 111.282 3.497 1.717 1.00 0.00 H new ATOM 0 HD23 LEU F 34 111.065 4.614 0.348 1.00 0.00 H new ATOM 1340 N HIS F 35 107.291 6.521 -0.134 1.00 0.00 N ATOM 1341 CA HIS F 35 107.318 7.708 -0.992 1.00 0.00 C ATOM 1342 C HIS F 35 105.991 8.472 -0.920 1.00 0.00 C ATOM 1343 O HIS F 35 105.985 9.700 -0.797 1.00 0.00 O ATOM 1344 CB HIS F 35 107.594 7.290 -2.442 1.00 0.00 C ATOM 1345 CG HIS F 35 107.819 8.511 -3.299 1.00 0.00 C ATOM 1346 ND1 HIS F 35 106.786 9.364 -3.658 1.00 0.00 N ATOM 1347 CD2 HIS F 35 108.951 9.032 -3.875 1.00 0.00 C ATOM 1348 CE1 HIS F 35 107.313 10.343 -4.417 1.00 0.00 C ATOM 1349 NE2 HIS F 35 108.630 10.188 -4.580 1.00 0.00 N ATOM 0 H HIS F 35 107.091 5.651 -0.627 1.00 0.00 H new ATOM 0 HA HIS F 35 108.112 8.367 -0.640 1.00 0.00 H new ATOM 0 HB2 HIS F 35 108.469 6.642 -2.482 1.00 0.00 H new ATOM 0 HB3 HIS F 35 106.753 6.714 -2.829 1.00 0.00 H new ATOM 0 HD2 HIS F 35 109.941 8.609 -3.793 1.00 0.00 H new ATOM 0 HE1 HIS F 35 106.741 11.155 -4.842 1.00 0.00 H new ATOM 0 HE2 HIS F 35 109.264 10.788 -5.108 1.00 0.00 H new ATOM 1358 N ASP F 36 104.876 7.737 -1.026 1.00 0.00 N ATOM 1359 CA ASP F 36 103.541 8.349 -0.998 1.00 0.00 C ATOM 1360 C ASP F 36 103.300 9.124 0.303 1.00 0.00 C ATOM 1361 O ASP F 36 102.672 10.186 0.283 1.00 0.00 O ATOM 1362 CB ASP F 36 102.465 7.264 -1.163 1.00 0.00 C ATOM 1363 CG ASP F 36 101.079 7.903 -1.303 1.00 0.00 C ATOM 1364 OD1 ASP F 36 100.734 8.285 -2.410 1.00 0.00 O ATOM 1365 OD2 ASP F 36 100.387 8.001 -0.302 1.00 0.00 O ATOM 0 H ASP F 36 104.871 6.722 -1.131 1.00 0.00 H new ATOM 0 HA ASP F 36 103.482 9.056 -1.825 1.00 0.00 H new ATOM 0 HB2 ASP F 36 102.683 6.657 -2.042 1.00 0.00 H new ATOM 0 HB3 ASP F 36 102.479 6.595 -0.302 1.00 0.00 H new ATOM 1370 N ASP F 37 103.790 8.580 1.423 1.00 0.00 N ATOM 1371 CA ASP F 37 103.616 9.216 2.735 1.00 0.00 C ATOM 1372 C ASP F 37 104.983 9.486 3.394 1.00 0.00 C ATOM 1373 O ASP F 37 105.485 8.658 4.160 1.00 0.00 O ATOM 1374 CB ASP F 37 102.755 8.313 3.637 1.00 0.00 C ATOM 1375 CG ASP F 37 102.104 9.125 4.769 1.00 0.00 C ATOM 1376 OD1 ASP F 37 102.797 9.921 5.388 1.00 0.00 O ATOM 1377 OD2 ASP F 37 100.923 8.927 5.009 1.00 0.00 O ATOM 0 H ASP F 37 104.309 7.702 1.448 1.00 0.00 H new ATOM 0 HA ASP F 37 103.111 10.172 2.599 1.00 0.00 H new ATOM 0 HB2 ASP F 37 101.982 7.829 3.041 1.00 0.00 H new ATOM 0 HB3 ASP F 37 103.373 7.522 4.061 1.00 0.00 H new ATOM 1382 N PRO F 38 105.597 10.622 3.105 1.00 0.00 N ATOM 1383 CA PRO F 38 106.931 10.983 3.682 1.00 0.00 C ATOM 1384 C PRO F 38 106.887 11.081 5.211 1.00 0.00 C ATOM 1385 O PRO F 38 107.828 10.677 5.898 1.00 0.00 O ATOM 1386 CB PRO F 38 107.273 12.338 3.040 1.00 0.00 C ATOM 1387 CG PRO F 38 105.991 12.874 2.491 1.00 0.00 C ATOM 1388 CD PRO F 38 105.087 11.675 2.210 1.00 0.00 C ATOM 0 HA PRO F 38 107.684 10.223 3.472 1.00 0.00 H new ATOM 0 HB2 PRO F 38 107.697 13.021 3.776 1.00 0.00 H new ATOM 0 HB3 PRO F 38 108.015 12.219 2.250 1.00 0.00 H new ATOM 0 HG2 PRO F 38 105.521 13.552 3.203 1.00 0.00 H new ATOM 0 HG3 PRO F 38 106.171 13.443 1.579 1.00 0.00 H new ATOM 0 HD2 PRO F 38 104.043 11.905 2.420 1.00 0.00 H new ATOM 0 HD3 PRO F 38 105.142 11.371 1.165 1.00 0.00 H new ATOM 1396 N SER F 39 105.786 11.614 5.733 1.00 0.00 N ATOM 1397 CA SER F 39 105.620 11.756 7.180 1.00 0.00 C ATOM 1398 C SER F 39 105.594 10.384 7.864 1.00 0.00 C ATOM 1399 O SER F 39 106.084 10.234 8.987 1.00 0.00 O ATOM 1400 CB SER F 39 104.320 12.508 7.486 1.00 0.00 C ATOM 1401 OG SER F 39 104.328 13.758 6.806 1.00 0.00 O ATOM 0 H SER F 39 104.998 11.954 5.181 1.00 0.00 H new ATOM 0 HA SER F 39 106.468 12.321 7.567 1.00 0.00 H new ATOM 0 HB2 SER F 39 103.461 11.915 7.171 1.00 0.00 H new ATOM 0 HB3 SER F 39 104.222 12.666 8.560 1.00 0.00 H new ATOM 0 HG SER F 39 103.497 14.240 6.998 1.00 0.00 H new ATOM 1407 N GLN F 40 104.996 9.397 7.184 1.00 0.00 N ATOM 1408 CA GLN F 40 104.865 8.046 7.706 1.00 0.00 C ATOM 1409 C GLN F 40 106.022 7.150 7.239 1.00 0.00 C ATOM 1410 O GLN F 40 106.129 6.000 7.664 1.00 0.00 O ATOM 1411 CB GLN F 40 103.513 7.503 7.220 1.00 0.00 C ATOM 1412 CG GLN F 40 103.231 6.121 7.790 1.00 0.00 C ATOM 1413 CD GLN F 40 101.815 5.643 7.435 1.00 0.00 C ATOM 1414 OE1 GLN F 40 101.439 4.525 7.784 1.00 0.00 O ATOM 1415 NE2 GLN F 40 101.003 6.417 6.761 1.00 0.00 N ATOM 0 H GLN F 40 104.592 9.521 6.256 1.00 0.00 H new ATOM 0 HA GLN F 40 104.906 8.055 8.795 1.00 0.00 H new ATOM 0 HB2 GLN F 40 102.718 8.188 7.513 1.00 0.00 H new ATOM 0 HB3 GLN F 40 103.508 7.457 6.131 1.00 0.00 H new ATOM 0 HG2 GLN F 40 103.963 5.411 7.405 1.00 0.00 H new ATOM 0 HG3 GLN F 40 103.348 6.143 8.874 1.00 0.00 H new ATOM 0 HE21 GLN F 40 101.309 7.345 6.469 1.00 0.00 H new ATOM 0 HE22 GLN F 40 100.065 6.092 6.528 1.00 0.00 H new ATOM 1424 N SER F 41 106.894 7.685 6.371 1.00 0.00 N ATOM 1425 CA SER F 41 108.043 6.918 5.863 1.00 0.00 C ATOM 1426 C SER F 41 108.862 6.358 7.033 1.00 0.00 C ATOM 1427 O SER F 41 109.290 5.201 7.016 1.00 0.00 O ATOM 1428 CB SER F 41 108.908 7.820 4.956 1.00 0.00 C ATOM 1429 OG SER F 41 110.144 8.142 5.590 1.00 0.00 O ATOM 0 H SER F 41 106.828 8.636 6.009 1.00 0.00 H new ATOM 0 HA SER F 41 107.686 6.075 5.271 1.00 0.00 H new ATOM 0 HB2 SER F 41 109.101 7.314 4.010 1.00 0.00 H new ATOM 0 HB3 SER F 41 108.365 8.736 4.722 1.00 0.00 H new ATOM 0 HG SER F 41 110.003 8.869 6.232 1.00 0.00 H new ATOM 1435 N ALA F 42 109.037 7.189 8.054 1.00 0.00 N ATOM 1436 CA ALA F 42 109.768 6.797 9.258 1.00 0.00 C ATOM 1437 C ALA F 42 109.033 5.654 9.961 1.00 0.00 C ATOM 1438 O ALA F 42 109.655 4.677 10.387 1.00 0.00 O ATOM 1439 CB ALA F 42 109.895 7.995 10.208 1.00 0.00 C ATOM 0 H ALA F 42 108.681 8.145 8.074 1.00 0.00 H new ATOM 0 HA ALA F 42 110.766 6.461 8.974 1.00 0.00 H new ATOM 0 HB1 ALA F 42 110.441 7.694 11.102 1.00 0.00 H new ATOM 0 HB2 ALA F 42 110.433 8.800 9.708 1.00 0.00 H new ATOM 0 HB3 ALA F 42 108.901 8.343 10.490 1.00 0.00 H new ATOM 1445 N ASN F 43 107.701 5.774 10.060 1.00 0.00 N ATOM 1446 CA ASN F 43 106.890 4.729 10.688 1.00 0.00 C ATOM 1447 C ASN F 43 107.015 3.436 9.888 1.00 0.00 C ATOM 1448 O ASN F 43 107.128 2.347 10.458 1.00 0.00 O ATOM 1449 CB ASN F 43 105.420 5.155 10.760 1.00 0.00 C ATOM 1450 CG ASN F 43 105.251 6.294 11.761 1.00 0.00 C ATOM 1451 OD1 ASN F 43 104.833 7.393 11.393 1.00 0.00 O ATOM 1452 ND2 ASN F 43 105.547 6.095 13.015 1.00 0.00 N ATOM 0 H ASN F 43 107.171 6.575 9.717 1.00 0.00 H new ATOM 0 HA ASN F 43 107.253 4.568 11.703 1.00 0.00 H new ATOM 0 HB2 ASN F 43 105.077 5.472 9.775 1.00 0.00 H new ATOM 0 HB3 ASN F 43 104.802 4.307 11.055 1.00 0.00 H new ATOM 0 HD21 ASN F 43 105.433 6.849 13.692 1.00 0.00 H new ATOM 0 HD22 ASN F 43 105.893 5.185 13.319 1.00 0.00 H new ATOM 1459 N LEU F 44 107.023 3.579 8.560 1.00 0.00 N ATOM 1460 CA LEU F 44 107.171 2.433 7.671 1.00 0.00 C ATOM 1461 C LEU F 44 108.536 1.803 7.883 1.00 0.00 C ATOM 1462 O LEU F 44 108.682 0.592 7.771 1.00 0.00 O ATOM 1463 CB LEU F 44 107.023 2.860 6.209 1.00 0.00 C ATOM 1464 CG LEU F 44 105.567 3.249 5.923 1.00 0.00 C ATOM 1465 CD1 LEU F 44 105.512 4.089 4.645 1.00 0.00 C ATOM 1466 CD2 LEU F 44 104.718 1.979 5.741 1.00 0.00 C ATOM 0 H LEU F 44 106.929 4.475 8.082 1.00 0.00 H new ATOM 0 HA LEU F 44 106.390 1.708 7.901 1.00 0.00 H new ATOM 0 HB2 LEU F 44 107.682 3.703 5.999 1.00 0.00 H new ATOM 0 HB3 LEU F 44 107.327 2.046 5.551 1.00 0.00 H new ATOM 0 HG LEU F 44 105.173 3.827 6.759 1.00 0.00 H new ATOM 0 HD11 LEU F 44 104.479 4.368 4.437 1.00 0.00 H new ATOM 0 HD12 LEU F 44 106.112 4.990 4.775 1.00 0.00 H new ATOM 0 HD13 LEU F 44 105.906 3.508 3.811 1.00 0.00 H new ATOM 0 HD21 LEU F 44 103.684 2.258 5.538 1.00 0.00 H new ATOM 0 HD22 LEU F 44 105.108 1.398 4.905 1.00 0.00 H new ATOM 0 HD23 LEU F 44 104.760 1.380 6.651 1.00 0.00 H new ATOM 1478 N LEU F 45 109.532 2.642 8.200 1.00 0.00 N ATOM 1479 CA LEU F 45 110.890 2.158 8.446 1.00 0.00 C ATOM 1480 C LEU F 45 110.892 1.210 9.643 1.00 0.00 C ATOM 1481 O LEU F 45 111.580 0.193 9.632 1.00 0.00 O ATOM 1482 CB LEU F 45 111.844 3.341 8.717 1.00 0.00 C ATOM 1483 CG LEU F 45 112.837 3.492 7.555 1.00 0.00 C ATOM 1484 CD1 LEU F 45 112.123 4.144 6.357 1.00 0.00 C ATOM 1485 CD2 LEU F 45 114.027 4.375 7.978 1.00 0.00 C ATOM 0 H LEU F 45 109.420 3.652 8.291 1.00 0.00 H new ATOM 0 HA LEU F 45 111.236 1.625 7.561 1.00 0.00 H new ATOM 0 HB2 LEU F 45 111.271 4.260 8.838 1.00 0.00 H new ATOM 0 HB3 LEU F 45 112.385 3.177 9.649 1.00 0.00 H new ATOM 0 HG LEU F 45 113.208 2.506 7.277 1.00 0.00 H new ATOM 0 HD11 LEU F 45 112.825 4.253 5.530 1.00 0.00 H new ATOM 0 HD12 LEU F 45 111.289 3.516 6.045 1.00 0.00 H new ATOM 0 HD13 LEU F 45 111.749 5.126 6.647 1.00 0.00 H new ATOM 0 HD21 LEU F 45 114.722 4.473 7.144 1.00 0.00 H new ATOM 0 HD22 LEU F 45 113.664 5.362 8.265 1.00 0.00 H new ATOM 0 HD23 LEU F 45 114.538 3.916 8.824 1.00 0.00 H new ATOM 1497 N ALA F 46 110.108 1.554 10.664 1.00 0.00 N ATOM 1498 CA ALA F 46 110.017 0.728 11.863 1.00 0.00 C ATOM 1499 C ALA F 46 109.424 -0.640 11.529 1.00 0.00 C ATOM 1500 O ALA F 46 110.000 -1.671 11.885 1.00 0.00 O ATOM 1501 CB ALA F 46 109.146 1.432 12.913 1.00 0.00 C ATOM 0 H ALA F 46 109.530 2.395 10.684 1.00 0.00 H new ATOM 0 HA ALA F 46 111.020 0.583 12.264 1.00 0.00 H new ATOM 0 HB1 ALA F 46 109.081 0.812 13.807 1.00 0.00 H new ATOM 0 HB2 ALA F 46 109.591 2.393 13.170 1.00 0.00 H new ATOM 0 HB3 ALA F 46 108.147 1.592 12.509 1.00 0.00 H new ATOM 1507 N GLU F 47 108.272 -0.644 10.847 1.00 0.00 N ATOM 1508 CA GLU F 47 107.617 -1.903 10.476 1.00 0.00 C ATOM 1509 C GLU F 47 108.439 -2.668 9.446 1.00 0.00 C ATOM 1510 O GLU F 47 108.543 -3.885 9.527 1.00 0.00 O ATOM 1511 CB GLU F 47 106.233 -1.650 9.888 1.00 0.00 C ATOM 1512 CG GLU F 47 105.307 -1.034 10.949 1.00 0.00 C ATOM 1513 CD GLU F 47 103.874 -0.838 10.415 1.00 0.00 C ATOM 1514 OE1 GLU F 47 103.689 -0.798 9.204 1.00 0.00 O ATOM 1515 OE2 GLU F 47 102.976 -0.727 11.234 1.00 0.00 O ATOM 0 H GLU F 47 107.781 0.197 10.545 1.00 0.00 H new ATOM 0 HA GLU F 47 107.529 -2.492 11.389 1.00 0.00 H new ATOM 0 HB2 GLU F 47 106.311 -0.981 9.031 1.00 0.00 H new ATOM 0 HB3 GLU F 47 105.808 -2.586 9.524 1.00 0.00 H new ATOM 0 HG2 GLU F 47 105.282 -1.678 11.828 1.00 0.00 H new ATOM 0 HG3 GLU F 47 105.710 -0.073 11.269 1.00 0.00 H new ATOM 1522 N ALA F 48 109.015 -1.943 8.480 1.00 0.00 N ATOM 1523 CA ALA F 48 109.833 -2.559 7.432 1.00 0.00 C ATOM 1524 C ALA F 48 111.042 -3.227 8.066 1.00 0.00 C ATOM 1525 O ALA F 48 111.350 -4.389 7.784 1.00 0.00 O ATOM 1526 CB ALA F 48 110.297 -1.493 6.433 1.00 0.00 C ATOM 0 H ALA F 48 108.929 -0.930 8.403 1.00 0.00 H new ATOM 0 HA ALA F 48 109.239 -3.304 6.903 1.00 0.00 H new ATOM 0 HB1 ALA F 48 110.904 -1.961 5.658 1.00 0.00 H new ATOM 0 HB2 ALA F 48 109.428 -1.019 5.977 1.00 0.00 H new ATOM 0 HB3 ALA F 48 110.889 -0.740 6.953 1.00 0.00 H new ATOM 1532 N LYS F 49 111.691 -2.483 8.959 1.00 0.00 N ATOM 1533 CA LYS F 49 112.839 -2.990 9.684 1.00 0.00 C ATOM 1534 C LYS F 49 112.406 -4.163 10.569 1.00 0.00 C ATOM 1535 O LYS F 49 113.143 -5.140 10.725 1.00 0.00 O ATOM 1536 CB LYS F 49 113.437 -1.874 10.547 1.00 0.00 C ATOM 1537 CG LYS F 49 114.783 -2.334 11.120 1.00 0.00 C ATOM 1538 CD LYS F 49 114.851 -2.020 12.622 1.00 0.00 C ATOM 1539 CE LYS F 49 115.076 -0.518 12.839 1.00 0.00 C ATOM 1540 NZ LYS F 49 115.153 -0.236 14.302 1.00 0.00 N ATOM 0 H LYS F 49 111.435 -1.524 9.194 1.00 0.00 H new ATOM 0 HA LYS F 49 113.594 -3.335 8.977 1.00 0.00 H new ATOM 0 HB2 LYS F 49 113.573 -0.972 9.950 1.00 0.00 H new ATOM 0 HB3 LYS F 49 112.753 -1.620 11.357 1.00 0.00 H new ATOM 0 HG2 LYS F 49 114.909 -3.404 10.958 1.00 0.00 H new ATOM 0 HG3 LYS F 49 115.599 -1.834 10.599 1.00 0.00 H new ATOM 0 HD2 LYS F 49 113.926 -2.331 13.108 1.00 0.00 H new ATOM 0 HD3 LYS F 49 115.660 -2.587 13.083 1.00 0.00 H new ATOM 0 HE2 LYS F 49 115.996 -0.202 12.347 1.00 0.00 H new ATOM 0 HE3 LYS F 49 114.263 0.052 12.390 1.00 0.00 H new ATOM 0 HZ1 LYS F 49 115.306 0.782 14.452 1.00 0.00 H new ATOM 0 HZ2 LYS F 49 114.264 -0.524 14.758 1.00 0.00 H new ATOM 0 HZ3 LYS F 49 115.943 -0.769 14.717 1.00 0.00 H new ATOM 1554 N LYS F 50 111.183 -4.066 11.113 1.00 0.00 N ATOM 1555 CA LYS F 50 110.634 -5.129 11.948 1.00 0.00 C ATOM 1556 C LYS F 50 110.344 -6.330 11.067 1.00 0.00 C ATOM 1557 O LYS F 50 110.487 -7.478 11.487 1.00 0.00 O ATOM 1558 CB LYS F 50 109.354 -4.629 12.647 1.00 0.00 C ATOM 1559 CG LYS F 50 108.736 -5.729 13.528 1.00 0.00 C ATOM 1560 CD LYS F 50 107.593 -5.149 14.379 1.00 0.00 C ATOM 1561 CE LYS F 50 106.376 -4.843 13.495 1.00 0.00 C ATOM 1562 NZ LYS F 50 105.191 -4.578 14.360 1.00 0.00 N ATOM 0 H LYS F 50 110.564 -3.265 10.987 1.00 0.00 H new ATOM 0 HA LYS F 50 111.347 -5.418 12.721 1.00 0.00 H new ATOM 0 HB2 LYS F 50 109.587 -3.757 13.259 1.00 0.00 H new ATOM 0 HB3 LYS F 50 108.629 -4.309 11.899 1.00 0.00 H new ATOM 0 HG2 LYS F 50 108.359 -6.537 12.902 1.00 0.00 H new ATOM 0 HG3 LYS F 50 109.500 -6.158 14.176 1.00 0.00 H new ATOM 0 HD2 LYS F 50 107.316 -5.857 15.160 1.00 0.00 H new ATOM 0 HD3 LYS F 50 107.927 -4.239 14.878 1.00 0.00 H new ATOM 0 HE2 LYS F 50 106.580 -3.979 12.863 1.00 0.00 H new ATOM 0 HE3 LYS F 50 106.175 -5.683 12.830 1.00 0.00 H new ATOM 0 HZ1 LYS F 50 104.365 -4.370 13.763 1.00 0.00 H new ATOM 0 HZ2 LYS F 50 104.994 -5.415 14.945 1.00 0.00 H new ATOM 0 HZ3 LYS F 50 105.386 -3.763 14.976 1.00 0.00 H new ATOM 1576 N LEU F 51 109.934 -6.036 9.839 1.00 0.00 N ATOM 1577 CA LEU F 51 109.619 -7.064 8.873 1.00 0.00 C ATOM 1578 C LEU F 51 110.882 -7.834 8.527 1.00 0.00 C ATOM 1579 O LEU F 51 110.857 -9.057 8.403 1.00 0.00 O ATOM 1580 CB LEU F 51 109.021 -6.420 7.620 1.00 0.00 C ATOM 1581 CG LEU F 51 108.134 -7.425 6.883 1.00 0.00 C ATOM 1582 CD1 LEU F 51 106.927 -7.791 7.769 1.00 0.00 C ATOM 1583 CD2 LEU F 51 107.650 -6.788 5.578 1.00 0.00 C ATOM 0 H LEU F 51 109.813 -5.084 9.493 1.00 0.00 H new ATOM 0 HA LEU F 51 108.889 -7.757 9.292 1.00 0.00 H new ATOM 0 HB2 LEU F 51 108.437 -5.542 7.897 1.00 0.00 H new ATOM 0 HB3 LEU F 51 109.819 -6.077 6.962 1.00 0.00 H new ATOM 0 HG LEU F 51 108.697 -8.331 6.662 1.00 0.00 H new ATOM 0 HD11 LEU F 51 106.294 -8.507 7.244 1.00 0.00 H new ATOM 0 HD12 LEU F 51 107.280 -8.233 8.701 1.00 0.00 H new ATOM 0 HD13 LEU F 51 106.352 -6.892 7.989 1.00 0.00 H new ATOM 0 HD21 LEU F 51 107.016 -7.494 5.042 1.00 0.00 H new ATOM 0 HD22 LEU F 51 107.080 -5.887 5.803 1.00 0.00 H new ATOM 0 HD23 LEU F 51 108.509 -6.529 4.959 1.00 0.00 H new ATOM 1595 N ASN F 52 111.995 -7.101 8.413 1.00 0.00 N ATOM 1596 CA ASN F 52 113.290 -7.714 8.129 1.00 0.00 C ATOM 1597 C ASN F 52 113.600 -8.716 9.251 1.00 0.00 C ATOM 1598 O ASN F 52 114.069 -9.827 8.996 1.00 0.00 O ATOM 1599 CB ASN F 52 114.373 -6.607 8.011 1.00 0.00 C ATOM 1600 CG ASN F 52 115.569 -6.878 8.918 1.00 0.00 C ATOM 1601 OD1 ASN F 52 116.522 -7.552 8.526 1.00 0.00 O ATOM 1602 ND2 ASN F 52 115.559 -6.389 10.117 1.00 0.00 N ATOM 0 H ASN F 52 112.022 -6.086 8.513 1.00 0.00 H new ATOM 0 HA ASN F 52 113.276 -8.250 7.180 1.00 0.00 H new ATOM 0 HB2 ASN F 52 114.711 -6.539 6.977 1.00 0.00 H new ATOM 0 HB3 ASN F 52 113.935 -5.642 8.267 1.00 0.00 H new ATOM 0 HD21 ASN F 52 116.344 -6.561 10.745 1.00 0.00 H new ATOM 0 HD22 ASN F 52 114.766 -5.832 10.434 1.00 0.00 H new ATOM 1609 N ASP F 53 113.293 -8.305 10.487 1.00 0.00 N ATOM 1610 CA ASP F 53 113.492 -9.152 11.662 1.00 0.00 C ATOM 1611 C ASP F 53 112.481 -10.307 11.659 1.00 0.00 C ATOM 1612 O ASP F 53 112.787 -11.418 12.100 1.00 0.00 O ATOM 1613 CB ASP F 53 113.322 -8.320 12.948 1.00 0.00 C ATOM 1614 CG ASP F 53 114.394 -7.221 13.041 1.00 0.00 C ATOM 1615 OD1 ASP F 53 115.562 -7.526 12.839 1.00 0.00 O ATOM 1616 OD2 ASP F 53 114.032 -6.092 13.333 1.00 0.00 O ATOM 0 H ASP F 53 112.904 -7.386 10.697 1.00 0.00 H new ATOM 0 HA ASP F 53 114.502 -9.561 11.630 1.00 0.00 H new ATOM 0 HB2 ASP F 53 112.330 -7.868 12.964 1.00 0.00 H new ATOM 0 HB3 ASP F 53 113.389 -8.972 13.819 1.00 0.00 H new ATOM 1621 N ALA F 54 111.271 -10.015 11.170 1.00 0.00 N ATOM 1622 CA ALA F 54 110.186 -11.003 11.110 1.00 0.00 C ATOM 1623 C ALA F 54 110.430 -12.063 10.031 1.00 0.00 C ATOM 1624 O ALA F 54 110.061 -13.227 10.208 1.00 0.00 O ATOM 1625 CB ALA F 54 108.856 -10.293 10.828 1.00 0.00 C ATOM 0 H ALA F 54 111.016 -9.096 10.808 1.00 0.00 H new ATOM 0 HA ALA F 54 110.151 -11.508 12.075 1.00 0.00 H new ATOM 0 HB1 ALA F 54 108.053 -11.029 10.784 1.00 0.00 H new ATOM 0 HB2 ALA F 54 108.650 -9.578 11.624 1.00 0.00 H new ATOM 0 HB3 ALA F 54 108.919 -9.767 9.875 1.00 0.00 H new ATOM 1631 N GLN F 55 111.042 -11.647 8.916 1.00 0.00 N ATOM 1632 CA GLN F 55 111.323 -12.559 7.797 1.00 0.00 C ATOM 1633 C GLN F 55 112.744 -13.107 7.886 1.00 0.00 C ATOM 1634 O GLN F 55 113.149 -13.948 7.080 1.00 0.00 O ATOM 1635 CB GLN F 55 111.137 -11.825 6.461 1.00 0.00 C ATOM 1636 CG GLN F 55 109.678 -11.355 6.335 1.00 0.00 C ATOM 1637 CD GLN F 55 109.398 -10.747 4.954 1.00 0.00 C ATOM 1638 OE1 GLN F 55 108.276 -10.321 4.686 1.00 0.00 O ATOM 1639 NE2 GLN F 55 110.345 -10.684 4.055 1.00 0.00 N ATOM 0 H GLN F 55 111.352 -10.687 8.763 1.00 0.00 H new ATOM 0 HA GLN F 55 110.624 -13.393 7.854 1.00 0.00 H new ATOM 0 HB2 GLN F 55 111.812 -10.971 6.406 1.00 0.00 H new ATOM 0 HB3 GLN F 55 111.391 -12.486 5.632 1.00 0.00 H new ATOM 0 HG2 GLN F 55 109.008 -12.198 6.505 1.00 0.00 H new ATOM 0 HG3 GLN F 55 109.465 -10.617 7.108 1.00 0.00 H new ATOM 0 HE21 GLN F 55 111.278 -11.036 4.271 1.00 0.00 H new ATOM 0 HE22 GLN F 55 110.151 -10.283 3.137 1.00 0.00 H new ATOM 1648 N ALA F 56 113.490 -12.604 8.865 1.00 0.00 N ATOM 1649 CA ALA F 56 114.869 -13.004 9.082 1.00 0.00 C ATOM 1650 C ALA F 56 114.980 -14.494 9.416 1.00 0.00 C ATOM 1651 O ALA F 56 113.976 -15.167 9.669 1.00 0.00 O ATOM 1652 CB ALA F 56 115.461 -12.170 10.227 1.00 0.00 C ATOM 0 H ALA F 56 113.152 -11.907 9.529 1.00 0.00 H new ATOM 0 HA ALA F 56 115.425 -12.829 8.161 1.00 0.00 H new ATOM 0 HB1 ALA F 56 116.497 -12.466 10.395 1.00 0.00 H new ATOM 0 HB2 ALA F 56 115.424 -11.113 9.964 1.00 0.00 H new ATOM 0 HB3 ALA F 56 114.884 -12.338 11.136 1.00 0.00 H new TER 1658 ALA F 56