USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 52 ASN : amide:sc= -5.31! C(o=-5.1!,f=-13!) USER MOD Set 1.2: B 58 LYS NZ :NH3+ 160:sc= 0.2 (180deg=0.0316) USER MOD Set 2.1: B 23 ASN : amide:sc= -2.98 K(o=-6.5,f=-18!) USER MOD Set 2.2: B 26 GLN : amide:sc= -2 K(o=-6.5,f=-12!) USER MOD Set 2.3: B 55 GLN : amide:sc= -1.49 K(o=-6.5,f=-7.2) USER MOD Set 3.1: B 6 ASN : amide:sc= -5.3! C(o=-4.5!,f=-12!) USER MOD Set 3.2: B 7 LYS NZ :NH3+ -143:sc= 0.816 (180deg=0) USER MOD Set 4.1: A 14 TYR OH : rot -77:sc= -0.518 USER MOD Set 4.2: A 18 HIS :FLIP no HE2:sc= -24! C(o=-27!,f=-24!) USER MOD Single : A 1 VAL N :NH3+ -157:sc= -0.0459 (180deg=-0.588) USER MOD Single : A 3 ASN : amide:sc= 0.0257 K(o=0.026,f=-1.9) USER MOD Single : A 4 LYS NZ :NH3+ -144:sc= -0.0127 (180deg=-0.231) USER MOD Single : A 6 ASN : amide:sc= -0.0572 X(o=-0.057,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -146:sc= -0.0381 (180deg=-0.0745) USER MOD Single : A 9 GLN : amide:sc= -1.26 K(o=-1.3,f=-2) USER MOD Single : A 10 GLN : amide:sc= -1.74 K(o=-1.7,f=-6.3) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.854 K(o=-0.85,f=-2.3) USER MOD Single : A 23 ASN : amide:sc= -1.16 K(o=-1.2,f=-9.7!) USER MOD Single : A 26 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.4!) USER MOD Single : A 28 ASN : amide:sc= -2.2 K(o=-2.2,f=-6.6!) USER MOD Single : A 32 GLN : amide:sc= -0.609 K(o=-0.61,f=-2.4) USER MOD Single : A 33 SER OG : rot 19:sc= -0.0579 USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= 0.387 (180deg=0.112) USER MOD Single : A 39 SER OG : rot -60:sc= 0.00164 USER MOD Single : A 40 GLN : amide:sc= -2.16 K(o=-2.2,f=-3.7!) USER MOD Single : A 41 SER OG : rot 89:sc= -1.46! USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= 0.385 (180deg=0.209) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -1.12! C(o=-1.1!,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -1.36 K(o=-1.4,f=-4.1!) USER MOD Single : A 58 LYS NZ :NH3+ -168:sc= 0.0106 (180deg=-0.335) USER MOD Single : B 1 VAL N :NH3+ 170:sc= -0.633 (180deg=-1.06) USER MOD Single : B 3 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.064) USER MOD Single : B 4 LYS NZ :NH3+ 169:sc= 0.0434 (180deg=0.0334) USER MOD Single : B 10 SER OG : rot -130:sc= -0.992 USER MOD Single : B 18 THR OG1 : rot -48:sc= 0.389 USER MOD Single : B 21 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4!) USER MOD Single : B 27 LYS NZ :NH3+ -151:sc= 0.25 (180deg=0.0773) USER MOD Single : B 28 LYS NZ :NH3+ -165:sc= 0.23 (180deg=0.105) USER MOD Single : B 33 SER OG : rot -14:sc= -1.27 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.559 X(o=-0.56,f=-0.13) USER MOD Single : B 41 SER OG : rot 180:sc= -0.851 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -178:sc= 0.142 (180deg=0.141) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.792 -18.773 12.011 1.00 0.00 N ATOM 2 CA VAL A 1 -4.668 -17.962 12.595 1.00 0.00 C ATOM 3 C VAL A 1 -3.910 -17.227 11.471 1.00 0.00 C ATOM 4 O VAL A 1 -3.615 -17.801 10.434 1.00 0.00 O ATOM 5 CB VAL A 1 -3.742 -18.973 13.314 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.461 -18.272 13.793 1.00 0.00 C ATOM 7 CG2 VAL A 1 -4.463 -19.569 14.532 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.514 -18.941 12.740 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.217 -18.255 11.216 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.423 -19.684 11.672 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.031 -17.203 13.288 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.485 -19.765 12.611 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -1.818 -18.994 14.297 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -1.934 -17.853 12.936 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.721 -17.472 14.486 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -3.805 -20.279 15.033 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.729 -18.770 15.224 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.368 -20.081 14.205 1.00 0.00 H new ATOM 19 N ASP A 2 -3.589 -15.966 11.683 1.00 0.00 N ATOM 20 CA ASP A 2 -2.843 -15.178 10.646 1.00 0.00 C ATOM 21 C ASP A 2 -1.335 -15.463 10.752 1.00 0.00 C ATOM 22 O ASP A 2 -0.718 -15.201 11.774 1.00 0.00 O ATOM 23 CB ASP A 2 -3.144 -13.699 10.952 1.00 0.00 C ATOM 24 CG ASP A 2 -2.504 -12.792 9.887 1.00 0.00 C ATOM 25 OD1 ASP A 2 -3.121 -12.597 8.852 1.00 0.00 O ATOM 26 OD2 ASP A 2 -1.411 -12.305 10.127 1.00 0.00 O ATOM 0 H ASP A 2 -3.814 -15.450 12.533 1.00 0.00 H new ATOM 0 HA ASP A 2 -3.147 -15.442 9.633 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -4.222 -13.538 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.760 -13.439 11.939 1.00 0.00 H new ATOM 31 N ASN A 3 -0.741 -15.983 9.696 1.00 0.00 N ATOM 32 CA ASN A 3 0.736 -16.272 9.709 1.00 0.00 C ATOM 33 C ASN A 3 1.519 -14.946 9.720 1.00 0.00 C ATOM 34 O ASN A 3 0.993 -13.914 9.334 1.00 0.00 O ATOM 35 CB ASN A 3 1.012 -17.060 8.415 1.00 0.00 C ATOM 36 CG ASN A 3 2.489 -17.475 8.351 1.00 0.00 C ATOM 37 OD1 ASN A 3 3.265 -16.882 7.628 1.00 0.00 O ATOM 38 ND2 ASN A 3 2.915 -18.470 9.083 1.00 0.00 N ATOM 0 H ASN A 3 -1.216 -16.220 8.825 1.00 0.00 H new ATOM 0 HA ASN A 3 1.043 -16.838 10.589 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.376 -17.945 8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.761 -16.449 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 3 3.896 -18.747 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.266 -18.970 9.691 1.00 0.00 H new ATOM 45 N LYS A 4 2.766 -14.963 10.162 1.00 0.00 N ATOM 46 CA LYS A 4 3.568 -13.689 10.194 1.00 0.00 C ATOM 47 C LYS A 4 3.653 -13.075 8.780 1.00 0.00 C ATOM 48 O LYS A 4 3.435 -11.891 8.618 1.00 0.00 O ATOM 49 CB LYS A 4 4.962 -14.052 10.762 1.00 0.00 C ATOM 50 CG LYS A 4 5.773 -14.936 9.796 1.00 0.00 C ATOM 51 CD LYS A 4 7.109 -15.318 10.443 1.00 0.00 C ATOM 52 CE LYS A 4 8.192 -14.299 10.044 1.00 0.00 C ATOM 53 NZ LYS A 4 8.357 -13.392 11.220 1.00 0.00 N ATOM 0 H LYS A 4 3.255 -15.793 10.497 1.00 0.00 H new ATOM 0 HA LYS A 4 3.100 -12.933 10.825 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.518 -13.137 10.968 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.841 -14.572 11.712 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.208 -15.835 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.950 -14.403 8.862 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.004 -15.345 11.528 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.404 -16.319 10.127 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.130 -14.800 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.893 -13.739 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.544 -12.424 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.487 -13.401 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.155 -13.719 11.801 1.00 0.00 H new ATOM 67 N PHE A 5 3.921 -13.875 7.761 1.00 0.00 N ATOM 68 CA PHE A 5 3.981 -13.345 6.360 1.00 0.00 C ATOM 69 C PHE A 5 2.581 -12.959 5.854 1.00 0.00 C ATOM 70 O PHE A 5 2.458 -12.078 5.024 1.00 0.00 O ATOM 71 CB PHE A 5 4.573 -14.469 5.490 1.00 0.00 C ATOM 72 CG PHE A 5 6.065 -14.666 5.754 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.816 -13.714 6.471 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.697 -15.813 5.261 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.181 -13.919 6.690 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.063 -16.014 5.484 1.00 0.00 C ATOM 77 CZ PHE A 5 8.803 -15.067 6.199 1.00 0.00 C ATOM 0 H PHE A 5 4.100 -14.875 7.847 1.00 0.00 H new ATOM 0 HA PHE A 5 4.593 -12.444 6.316 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.043 -15.400 5.689 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.418 -14.233 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.336 -12.825 6.852 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.128 -16.545 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.755 -13.188 7.240 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.547 -16.901 5.104 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.857 -15.225 6.371 1.00 0.00 H new ATOM 87 N ASN A 6 1.531 -13.616 6.341 1.00 0.00 N ATOM 88 CA ASN A 6 0.129 -13.296 5.883 1.00 0.00 C ATOM 89 C ASN A 6 -0.137 -11.782 5.967 1.00 0.00 C ATOM 90 O ASN A 6 -0.542 -11.186 4.994 1.00 0.00 O ATOM 91 CB ASN A 6 -0.803 -14.062 6.839 1.00 0.00 C ATOM 92 CG ASN A 6 -2.135 -14.359 6.141 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.446 -15.502 5.875 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.939 -13.379 5.824 1.00 0.00 N ATOM 0 H ASN A 6 1.592 -14.360 7.036 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.031 -13.586 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.331 -14.993 7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.978 -13.474 7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.823 -13.576 5.355 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.682 -12.417 6.045 1.00 0.00 H new ATOM 101 N LYS A 7 0.113 -11.160 7.105 1.00 0.00 N ATOM 102 CA LYS A 7 -0.100 -9.675 7.222 1.00 0.00 C ATOM 103 C LYS A 7 1.198 -8.884 6.955 1.00 0.00 C ATOM 104 O LYS A 7 1.131 -7.718 6.633 1.00 0.00 O ATOM 105 CB LYS A 7 -0.588 -9.434 8.643 1.00 0.00 C ATOM 106 CG LYS A 7 -0.981 -7.970 8.829 1.00 0.00 C ATOM 107 CD LYS A 7 -0.895 -7.613 10.307 1.00 0.00 C ATOM 108 CE LYS A 7 -2.069 -8.249 11.079 1.00 0.00 C ATOM 109 NZ LYS A 7 -1.497 -9.425 11.805 1.00 0.00 N ATOM 0 H LYS A 7 0.453 -11.615 7.952 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.820 -9.331 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.443 -10.076 8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.195 -9.700 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.320 -7.327 8.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.993 -7.803 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.052 -7.963 10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.915 -6.530 10.429 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.509 -7.536 11.777 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.862 -8.559 10.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.207 -10.183 11.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.656 -9.770 11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.229 -9.141 12.769 1.00 0.00 H new ATOM 123 N GLU A 8 2.373 -9.493 7.074 1.00 0.00 N ATOM 124 CA GLU A 8 3.654 -8.743 6.802 1.00 0.00 C ATOM 125 C GLU A 8 3.637 -8.195 5.385 1.00 0.00 C ATOM 126 O GLU A 8 4.112 -7.111 5.143 1.00 0.00 O ATOM 127 CB GLU A 8 4.802 -9.744 6.941 1.00 0.00 C ATOM 128 CG GLU A 8 5.374 -9.675 8.356 1.00 0.00 C ATOM 129 CD GLU A 8 6.475 -10.733 8.533 1.00 0.00 C ATOM 130 OE1 GLU A 8 7.436 -10.706 7.777 1.00 0.00 O ATOM 131 OE2 GLU A 8 6.345 -11.547 9.426 1.00 0.00 O ATOM 0 H GLU A 8 2.494 -10.469 7.346 1.00 0.00 H new ATOM 0 HA GLU A 8 3.769 -7.912 7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.446 -10.752 6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.581 -9.523 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.780 -8.681 8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.581 -9.839 9.086 1.00 0.00 H new ATOM 138 N GLN A 9 3.068 -8.937 4.460 1.00 0.00 N ATOM 139 CA GLN A 9 2.982 -8.461 3.059 1.00 0.00 C ATOM 140 C GLN A 9 2.112 -7.194 3.001 1.00 0.00 C ATOM 141 O GLN A 9 2.465 -6.250 2.341 1.00 0.00 O ATOM 142 CB GLN A 9 2.332 -9.578 2.247 1.00 0.00 C ATOM 143 CG GLN A 9 3.202 -10.838 2.225 1.00 0.00 C ATOM 144 CD GLN A 9 2.452 -11.945 1.481 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.269 -11.871 0.282 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.003 -12.980 2.142 1.00 0.00 N ATOM 0 H GLN A 9 2.660 -9.857 4.627 1.00 0.00 H new ATOM 0 HA GLN A 9 3.968 -8.219 2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.356 -9.816 2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.161 -9.235 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.153 -10.631 1.734 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.431 -11.156 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.154 -13.047 3.149 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.502 -13.720 1.651 1.00 0.00 H new ATOM 155 N GLN A 10 0.998 -7.160 3.731 1.00 0.00 N ATOM 156 CA GLN A 10 0.132 -5.913 3.754 1.00 0.00 C ATOM 157 C GLN A 10 0.773 -4.861 4.636 1.00 0.00 C ATOM 158 O GLN A 10 0.723 -3.708 4.307 1.00 0.00 O ATOM 159 CB GLN A 10 -1.296 -6.196 4.263 1.00 0.00 C ATOM 160 CG GLN A 10 -1.543 -7.612 4.780 1.00 0.00 C ATOM 161 CD GLN A 10 -1.780 -8.555 3.602 1.00 0.00 C ATOM 162 OE1 GLN A 10 -0.902 -9.297 3.222 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.932 -8.548 2.995 1.00 0.00 N ATOM 0 H GLN A 10 0.657 -7.932 4.304 1.00 0.00 H new ATOM 0 HA GLN A 10 0.055 -5.557 2.727 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.524 -5.491 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.998 -5.996 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.687 -7.951 5.363 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.406 -7.621 5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.673 -7.923 3.314 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.094 -9.167 2.201 1.00 0.00 H new ATOM 172 N ASN A 11 1.391 -5.233 5.741 1.00 0.00 N ATOM 173 CA ASN A 11 2.057 -4.198 6.589 1.00 0.00 C ATOM 174 C ASN A 11 3.201 -3.592 5.769 1.00 0.00 C ATOM 175 O ASN A 11 3.351 -2.397 5.711 1.00 0.00 O ATOM 176 CB ASN A 11 2.599 -4.916 7.830 1.00 0.00 C ATOM 177 CG ASN A 11 2.898 -3.881 8.920 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.002 -3.438 9.612 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.124 -3.464 9.096 1.00 0.00 N ATOM 0 H ASN A 11 1.459 -6.192 6.082 1.00 0.00 H new ATOM 0 HA ASN A 11 1.377 -3.403 6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.871 -5.643 8.191 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.504 -5.469 7.579 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.328 -2.768 9.813 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.877 -3.835 8.516 1.00 0.00 H new ATOM 186 N ALA A 12 3.966 -4.428 5.087 1.00 0.00 N ATOM 187 CA ALA A 12 5.066 -3.923 4.212 1.00 0.00 C ATOM 188 C ALA A 12 4.456 -3.171 3.031 1.00 0.00 C ATOM 189 O ALA A 12 4.874 -2.080 2.721 1.00 0.00 O ATOM 190 CB ALA A 12 5.814 -5.158 3.717 1.00 0.00 C ATOM 0 H ALA A 12 3.867 -5.443 5.106 1.00 0.00 H new ATOM 0 HA ALA A 12 5.735 -3.245 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.635 -4.851 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.212 -5.709 4.570 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.131 -5.798 3.159 1.00 0.00 H new ATOM 196 N PHE A 13 3.437 -3.744 2.402 1.00 0.00 N ATOM 197 CA PHE A 13 2.738 -3.068 1.256 1.00 0.00 C ATOM 198 C PHE A 13 2.262 -1.694 1.732 1.00 0.00 C ATOM 199 O PHE A 13 2.635 -0.673 1.190 1.00 0.00 O ATOM 200 CB PHE A 13 1.522 -3.981 0.925 1.00 0.00 C ATOM 201 CG PHE A 13 0.573 -3.297 -0.024 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.058 -2.701 -1.187 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.801 -3.308 0.237 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.175 -2.113 -2.080 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.684 -2.730 -0.667 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.197 -2.135 -1.821 1.00 0.00 C ATOM 0 H PHE A 13 3.062 -4.661 2.643 1.00 0.00 H new ATOM 0 HA PHE A 13 3.375 -2.928 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.873 -4.914 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.997 -4.241 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.118 -2.697 -1.392 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.176 -3.766 1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.548 -1.638 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.746 -2.744 -0.471 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.883 -1.686 -2.524 1.00 0.00 H new ATOM 216 N TYR A 14 1.464 -1.701 2.771 1.00 0.00 N ATOM 217 CA TYR A 14 0.926 -0.456 3.375 1.00 0.00 C ATOM 218 C TYR A 14 2.060 0.506 3.754 1.00 0.00 C ATOM 219 O TYR A 14 2.062 1.631 3.325 1.00 0.00 O ATOM 220 CB TYR A 14 0.216 -0.929 4.625 1.00 0.00 C ATOM 221 CG TYR A 14 -0.435 0.235 5.306 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.732 0.599 4.968 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.258 0.933 6.294 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.336 1.646 5.608 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.351 1.999 6.948 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.654 2.361 6.611 1.00 0.00 C ATOM 227 OH TYR A 14 -2.270 3.419 7.252 1.00 0.00 O ATOM 0 H TYR A 14 1.156 -2.554 3.238 1.00 0.00 H new ATOM 0 HA TYR A 14 0.274 0.084 2.688 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.533 -1.678 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.926 -1.407 5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.263 0.056 4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.267 0.646 6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.344 1.927 5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.183 2.543 7.713 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.259 4.206 6.668 1.00 0.00 H new ATOM 237 N GLU A 15 3.029 0.069 4.546 1.00 0.00 N ATOM 238 CA GLU A 15 4.151 0.992 4.933 1.00 0.00 C ATOM 239 C GLU A 15 4.859 1.492 3.666 1.00 0.00 C ATOM 240 O GLU A 15 5.138 2.664 3.563 1.00 0.00 O ATOM 241 CB GLU A 15 5.101 0.199 5.842 1.00 0.00 C ATOM 242 CG GLU A 15 4.439 -0.116 7.207 1.00 0.00 C ATOM 243 CD GLU A 15 3.924 1.164 7.894 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.692 2.102 8.034 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.767 1.174 8.277 1.00 0.00 O ATOM 0 H GLU A 15 3.087 -0.873 4.933 1.00 0.00 H new ATOM 0 HA GLU A 15 3.787 1.869 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.387 -0.731 5.350 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.016 0.769 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.611 -0.809 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.160 -0.614 7.856 1.00 0.00 H new ATOM 252 N ILE A 16 5.081 0.634 2.669 1.00 0.00 N ATOM 253 CA ILE A 16 5.693 1.114 1.371 1.00 0.00 C ATOM 254 C ILE A 16 4.814 2.256 0.813 1.00 0.00 C ATOM 255 O ILE A 16 5.310 3.313 0.457 1.00 0.00 O ATOM 256 CB ILE A 16 5.713 -0.127 0.439 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.052 -0.848 0.639 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.548 0.264 -1.039 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.846 -2.356 0.578 1.00 0.00 C ATOM 0 H ILE A 16 4.866 -0.363 2.703 1.00 0.00 H new ATOM 0 HA ILE A 16 6.702 1.511 1.480 1.00 0.00 H new ATOM 0 HB ILE A 16 4.876 -0.776 0.695 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.760 -0.538 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.484 -0.570 1.600 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.567 -0.634 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.596 0.778 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.363 0.925 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.802 -2.860 0.721 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.154 -2.661 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.434 -2.628 -0.394 1.00 0.00 H new ATOM 271 N LEU A 17 3.513 2.041 0.777 1.00 0.00 N ATOM 272 CA LEU A 17 2.558 3.104 0.289 1.00 0.00 C ATOM 273 C LEU A 17 2.530 4.317 1.252 1.00 0.00 C ATOM 274 O LEU A 17 2.412 5.441 0.821 1.00 0.00 O ATOM 275 CB LEU A 17 1.157 2.464 0.292 1.00 0.00 C ATOM 276 CG LEU A 17 1.038 1.336 -0.738 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.294 0.164 -0.149 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.198 1.774 -1.903 1.00 0.00 C ATOM 0 H LEU A 17 3.068 1.170 1.066 1.00 0.00 H new ATOM 0 HA LEU A 17 2.865 3.454 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.940 2.072 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.409 3.228 0.081 1.00 0.00 H new ATOM 0 HG LEU A 17 2.053 1.075 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.217 -0.629 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.832 -0.207 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.706 0.480 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.124 0.960 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.799 2.040 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.659 2.640 -2.378 1.00 0.00 H new ATOM 290 N HIS A 18 2.595 4.083 2.552 1.00 0.00 N ATOM 291 CA HIS A 18 2.518 5.204 3.563 1.00 0.00 C ATOM 292 C HIS A 18 3.892 5.836 3.890 1.00 0.00 C ATOM 293 O HIS A 18 3.946 6.770 4.676 1.00 0.00 O ATOM 294 CB HIS A 18 1.900 4.566 4.827 1.00 0.00 C ATOM 295 CG HIS A 18 0.424 4.314 4.610 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.256 3.293 3.991 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.558 5.209 5.014 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.601 3.563 3.992 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.743 4.697 4.622 1.00 0.00 N flip ATOM 0 H HIS A 18 2.699 3.154 2.959 1.00 0.00 H new ATOM 0 HA HIS A 18 1.924 6.027 3.165 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.407 3.629 5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.043 5.224 5.684 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.175 2.459 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.403 6.138 5.542 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.384 2.959 3.559 1.00 0.00 H new ATOM 307 N LEU A 19 4.992 5.368 3.313 1.00 0.00 N ATOM 308 CA LEU A 19 6.327 5.995 3.627 1.00 0.00 C ATOM 309 C LEU A 19 6.362 7.430 3.053 1.00 0.00 C ATOM 310 O LEU A 19 6.067 7.628 1.884 1.00 0.00 O ATOM 311 CB LEU A 19 7.402 5.106 2.970 1.00 0.00 C ATOM 312 CG LEU A 19 7.853 4.000 3.948 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.792 3.024 3.232 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.584 4.612 5.149 1.00 0.00 C ATOM 0 H LEU A 19 5.019 4.593 2.651 1.00 0.00 H new ATOM 0 HA LEU A 19 6.504 6.063 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.005 4.656 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.258 5.714 2.678 1.00 0.00 H new ATOM 0 HG LEU A 19 6.968 3.469 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.107 2.246 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.271 2.569 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.668 3.562 2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.895 3.819 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.462 5.157 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.916 5.296 5.672 1.00 0.00 H new ATOM 326 N PRO A 20 6.686 8.395 3.907 1.00 0.00 N ATOM 327 CA PRO A 20 6.712 9.837 3.492 1.00 0.00 C ATOM 328 C PRO A 20 7.761 10.164 2.405 1.00 0.00 C ATOM 329 O PRO A 20 7.614 11.159 1.716 1.00 0.00 O ATOM 330 CB PRO A 20 7.022 10.578 4.795 1.00 0.00 C ATOM 331 CG PRO A 20 7.704 9.569 5.652 1.00 0.00 C ATOM 332 CD PRO A 20 7.063 8.250 5.326 1.00 0.00 C ATOM 0 HA PRO A 20 5.769 10.127 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.661 11.442 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.111 10.947 5.267 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.775 9.544 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.586 9.810 6.708 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.753 7.420 5.476 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.194 8.059 5.955 1.00 0.00 H new ATOM 340 N ASN A 21 8.801 9.362 2.231 1.00 0.00 N ATOM 341 CA ASN A 21 9.819 9.678 1.175 1.00 0.00 C ATOM 342 C ASN A 21 9.791 8.646 0.027 1.00 0.00 C ATOM 343 O ASN A 21 10.640 8.683 -0.853 1.00 0.00 O ATOM 344 CB ASN A 21 11.170 9.698 1.903 1.00 0.00 C ATOM 345 CG ASN A 21 11.227 10.914 2.838 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.227 12.041 2.386 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.273 10.734 4.131 1.00 0.00 N ATOM 0 H ASN A 21 8.981 8.515 2.770 1.00 0.00 H new ATOM 0 HA ASN A 21 9.616 10.635 0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.301 8.779 2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.985 9.743 1.180 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.309 11.539 4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.273 9.789 4.515 1.00 0.00 H new ATOM 354 N LEU A 22 8.802 7.757 -0.012 1.00 0.00 N ATOM 355 CA LEU A 22 8.710 6.779 -1.142 1.00 0.00 C ATOM 356 C LEU A 22 7.832 7.372 -2.245 1.00 0.00 C ATOM 357 O LEU A 22 6.821 8.005 -1.977 1.00 0.00 O ATOM 358 CB LEU A 22 8.075 5.481 -0.595 1.00 0.00 C ATOM 359 CG LEU A 22 9.109 4.578 0.121 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.680 3.117 -0.015 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.497 4.715 -0.501 1.00 0.00 C ATOM 0 H LEU A 22 8.066 7.677 0.690 1.00 0.00 H new ATOM 0 HA LEU A 22 9.695 6.565 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.275 5.735 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.620 4.928 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 22 9.152 4.886 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.405 2.477 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.699 2.982 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.630 2.849 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.198 4.067 0.026 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.455 4.426 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.830 5.750 -0.423 1.00 0.00 H new ATOM 373 N ASN A 23 8.213 7.158 -3.477 1.00 0.00 N ATOM 374 CA ASN A 23 7.414 7.691 -4.634 1.00 0.00 C ATOM 375 C ASN A 23 6.801 6.539 -5.433 1.00 0.00 C ATOM 376 O ASN A 23 6.886 5.394 -5.035 1.00 0.00 O ATOM 377 CB ASN A 23 8.375 8.530 -5.506 1.00 0.00 C ATOM 378 CG ASN A 23 9.686 7.779 -5.787 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.711 6.869 -6.583 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.778 8.125 -5.159 1.00 0.00 N ATOM 0 H ASN A 23 9.048 6.634 -3.739 1.00 0.00 H new ATOM 0 HA ASN A 23 6.588 8.311 -4.286 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.888 8.779 -6.449 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.595 9.472 -5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.650 7.628 -5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.759 8.892 -4.487 1.00 0.00 H new ATOM 387 N GLU A 24 6.179 6.841 -6.545 1.00 0.00 N ATOM 388 CA GLU A 24 5.538 5.766 -7.379 1.00 0.00 C ATOM 389 C GLU A 24 6.589 4.753 -7.863 1.00 0.00 C ATOM 390 O GLU A 24 6.317 3.577 -7.913 1.00 0.00 O ATOM 391 CB GLU A 24 4.875 6.485 -8.559 1.00 0.00 C ATOM 392 CG GLU A 24 3.982 5.501 -9.325 1.00 0.00 C ATOM 393 CD GLU A 24 3.356 6.191 -10.542 1.00 0.00 C ATOM 394 OE1 GLU A 24 4.083 6.474 -11.482 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.158 6.424 -10.512 1.00 0.00 O ATOM 0 H GLU A 24 6.085 7.786 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 24 4.806 5.198 -6.806 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.282 7.326 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.636 6.894 -9.223 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.569 4.641 -9.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.198 5.124 -8.669 1.00 0.00 H new ATOM 402 N GLU A 25 7.784 5.199 -8.201 1.00 0.00 N ATOM 403 CA GLU A 25 8.847 4.241 -8.665 1.00 0.00 C ATOM 404 C GLU A 25 9.306 3.330 -7.506 1.00 0.00 C ATOM 405 O GLU A 25 9.418 2.133 -7.673 1.00 0.00 O ATOM 406 CB GLU A 25 10.010 5.121 -9.149 1.00 0.00 C ATOM 407 CG GLU A 25 11.110 4.247 -9.770 1.00 0.00 C ATOM 408 CD GLU A 25 12.369 5.087 -10.007 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.020 5.437 -9.033 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.661 5.368 -11.157 1.00 0.00 O ATOM 0 H GLU A 25 8.066 6.179 -8.175 1.00 0.00 H new ATOM 0 HA GLU A 25 8.479 3.585 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.650 5.842 -9.883 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.416 5.692 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.339 3.411 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.762 3.823 -10.712 1.00 0.00 H new ATOM 417 N GLN A 26 9.570 3.895 -6.341 1.00 0.00 N ATOM 418 CA GLN A 26 10.035 3.069 -5.162 1.00 0.00 C ATOM 419 C GLN A 26 8.877 2.259 -4.563 1.00 0.00 C ATOM 420 O GLN A 26 8.993 1.061 -4.382 1.00 0.00 O ATOM 421 CB GLN A 26 10.580 4.074 -4.127 1.00 0.00 C ATOM 422 CG GLN A 26 11.712 4.925 -4.733 1.00 0.00 C ATOM 423 CD GLN A 26 12.922 4.051 -5.083 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.739 3.760 -4.236 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.078 3.621 -6.305 1.00 0.00 N ATOM 0 H GLN A 26 9.484 4.894 -6.154 1.00 0.00 H new ATOM 0 HA GLN A 26 10.796 2.350 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.774 4.723 -3.785 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.950 3.538 -3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.353 5.432 -5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.009 5.699 -4.026 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.394 3.863 -7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.884 3.043 -6.543 1.00 0.00 H new ATOM 434 N ARG A 27 7.771 2.905 -4.253 1.00 0.00 N ATOM 435 CA ARG A 27 6.594 2.189 -3.646 1.00 0.00 C ATOM 436 C ARG A 27 6.039 1.088 -4.586 1.00 0.00 C ATOM 437 O ARG A 27 5.802 -0.024 -4.155 1.00 0.00 O ATOM 438 CB ARG A 27 5.531 3.284 -3.434 1.00 0.00 C ATOM 439 CG ARG A 27 4.183 2.670 -3.020 1.00 0.00 C ATOM 440 CD ARG A 27 3.067 3.704 -3.198 1.00 0.00 C ATOM 441 NE ARG A 27 3.039 4.018 -4.667 1.00 0.00 N ATOM 442 CZ ARG A 27 3.058 5.267 -5.090 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.860 6.149 -4.533 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.284 5.628 -6.084 1.00 0.00 N ATOM 0 H ARG A 27 7.632 3.905 -4.396 1.00 0.00 H new ATOM 0 HA ARG A 27 6.876 1.684 -2.722 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.869 3.980 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.407 3.858 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.974 1.787 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.226 2.342 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.108 3.308 -2.863 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.265 4.600 -2.609 1.00 0.00 H new ATOM 0 HE ARG A 27 3.005 3.257 -5.345 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.473 5.869 -3.768 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.868 7.113 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.670 4.944 -6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.295 6.593 -6.415 1.00 0.00 H new ATOM 458 N ASN A 28 5.822 1.395 -5.860 1.00 0.00 N ATOM 459 CA ASN A 28 5.270 0.365 -6.817 1.00 0.00 C ATOM 460 C ASN A 28 6.263 -0.777 -7.015 1.00 0.00 C ATOM 461 O ASN A 28 5.878 -1.928 -7.011 1.00 0.00 O ATOM 462 CB ASN A 28 5.037 1.098 -8.134 1.00 0.00 C ATOM 463 CG ASN A 28 4.464 0.137 -9.184 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.527 -0.589 -8.919 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.999 0.099 -10.371 1.00 0.00 N ATOM 0 H ASN A 28 6.004 2.310 -6.272 1.00 0.00 H new ATOM 0 HA ASN A 28 4.350 -0.076 -6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.350 1.930 -7.979 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.975 1.522 -8.493 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.631 -0.540 -11.076 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.786 0.708 -10.595 1.00 0.00 H new ATOM 472 N ALA A 29 7.540 -0.463 -7.158 1.00 0.00 N ATOM 473 CA ALA A 29 8.580 -1.538 -7.317 1.00 0.00 C ATOM 474 C ALA A 29 8.512 -2.474 -6.115 1.00 0.00 C ATOM 475 O ALA A 29 8.624 -3.676 -6.249 1.00 0.00 O ATOM 476 CB ALA A 29 9.904 -0.813 -7.301 1.00 0.00 C ATOM 0 H ALA A 29 7.902 0.490 -7.171 1.00 0.00 H new ATOM 0 HA ALA A 29 8.438 -2.122 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.715 -1.533 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.938 -0.099 -8.124 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.017 -0.283 -6.355 1.00 0.00 H new ATOM 482 N PHE A 30 8.289 -1.908 -4.948 1.00 0.00 N ATOM 483 CA PHE A 30 8.159 -2.724 -3.715 1.00 0.00 C ATOM 484 C PHE A 30 6.931 -3.584 -3.808 1.00 0.00 C ATOM 485 O PHE A 30 6.987 -4.751 -3.538 1.00 0.00 O ATOM 486 CB PHE A 30 8.027 -1.725 -2.577 1.00 0.00 C ATOM 487 CG PHE A 30 9.400 -1.241 -2.192 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.505 -2.095 -2.315 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.569 0.043 -1.686 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.754 -1.672 -1.940 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.831 0.463 -1.295 1.00 0.00 C ATOM 492 CZ PHE A 30 11.925 -0.406 -1.426 1.00 0.00 C ATOM 0 H PHE A 30 8.192 -0.903 -4.806 1.00 0.00 H new ATOM 0 HA PHE A 30 9.012 -3.386 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.403 -0.885 -2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.538 -2.190 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.372 -3.092 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.723 0.709 -1.598 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.603 -2.331 -2.048 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.972 1.455 -0.891 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.908 -0.079 -1.121 1.00 0.00 H new ATOM 502 N ILE A 31 5.841 -3.018 -4.241 1.00 0.00 N ATOM 503 CA ILE A 31 4.600 -3.815 -4.420 1.00 0.00 C ATOM 504 C ILE A 31 4.850 -4.896 -5.494 1.00 0.00 C ATOM 505 O ILE A 31 4.291 -5.967 -5.414 1.00 0.00 O ATOM 506 CB ILE A 31 3.531 -2.784 -4.791 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.322 -1.874 -3.577 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.235 -3.486 -5.123 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.668 -0.573 -3.996 1.00 0.00 C ATOM 0 H ILE A 31 5.757 -2.030 -4.480 1.00 0.00 H new ATOM 0 HA ILE A 31 4.277 -4.366 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 31 3.846 -2.205 -5.659 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.700 -2.380 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.280 -1.669 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.478 -2.747 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.392 -4.161 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.899 -4.057 -4.258 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.527 0.062 -3.121 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.306 -0.061 -4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.700 -0.783 -4.452 1.00 0.00 H new ATOM 521 N GLN A 32 5.741 -4.649 -6.456 1.00 0.00 N ATOM 522 CA GLN A 32 6.070 -5.704 -7.477 1.00 0.00 C ATOM 523 C GLN A 32 6.907 -6.817 -6.804 1.00 0.00 C ATOM 524 O GLN A 32 6.588 -7.984 -6.916 1.00 0.00 O ATOM 525 CB GLN A 32 6.854 -4.985 -8.589 1.00 0.00 C ATOM 526 CG GLN A 32 5.898 -4.079 -9.379 1.00 0.00 C ATOM 527 CD GLN A 32 6.677 -3.264 -10.415 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.134 -2.176 -10.130 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.846 -3.743 -11.618 1.00 0.00 N ATOM 0 H GLN A 32 6.244 -3.769 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 32 5.184 -6.182 -7.894 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.661 -4.393 -8.157 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.315 -5.714 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.140 -4.684 -9.877 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.374 -3.409 -8.698 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.464 -4.657 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.360 -3.203 -12.314 1.00 0.00 H new ATOM 538 N SER A 33 7.939 -6.450 -6.057 1.00 0.00 N ATOM 539 CA SER A 33 8.779 -7.464 -5.310 1.00 0.00 C ATOM 540 C SER A 33 7.976 -8.101 -4.148 1.00 0.00 C ATOM 541 O SER A 33 8.238 -9.220 -3.745 1.00 0.00 O ATOM 542 CB SER A 33 9.994 -6.683 -4.774 1.00 0.00 C ATOM 543 OG SER A 33 9.577 -5.453 -4.189 1.00 0.00 O ATOM 0 H SER A 33 8.237 -5.482 -5.933 1.00 0.00 H new ATOM 0 HA SER A 33 9.084 -8.285 -5.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.523 -7.284 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.695 -6.488 -5.585 1.00 0.00 H new ATOM 0 HG SER A 33 8.622 -5.499 -3.976 1.00 0.00 H new ATOM 549 N LEU A 34 7.018 -7.371 -3.612 1.00 0.00 N ATOM 550 CA LEU A 34 6.178 -7.853 -2.469 1.00 0.00 C ATOM 551 C LEU A 34 5.034 -8.772 -2.959 1.00 0.00 C ATOM 552 O LEU A 34 4.809 -9.826 -2.387 1.00 0.00 O ATOM 553 CB LEU A 34 5.638 -6.543 -1.860 1.00 0.00 C ATOM 554 CG LEU A 34 4.983 -6.772 -0.500 1.00 0.00 C ATOM 555 CD1 LEU A 34 6.051 -6.806 0.568 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.037 -5.623 -0.188 1.00 0.00 C ATOM 0 H LEU A 34 6.780 -6.433 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 34 6.732 -8.458 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.455 -5.829 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.913 -6.098 -2.541 1.00 0.00 H new ATOM 0 HG LEU A 34 4.435 -7.714 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.588 -6.969 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.750 -7.616 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.587 -5.857 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.571 -5.789 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.596 -4.687 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.266 -5.568 -0.956 1.00 0.00 H new ATOM 568 N LYS A 35 4.308 -8.376 -4.002 1.00 0.00 N ATOM 569 CA LYS A 35 3.165 -9.222 -4.524 1.00 0.00 C ATOM 570 C LYS A 35 3.705 -10.543 -5.105 1.00 0.00 C ATOM 571 O LYS A 35 3.080 -11.579 -4.963 1.00 0.00 O ATOM 572 CB LYS A 35 2.426 -8.364 -5.587 1.00 0.00 C ATOM 573 CG LYS A 35 1.249 -7.626 -4.948 1.00 0.00 C ATOM 574 CD LYS A 35 0.003 -7.776 -5.828 1.00 0.00 C ATOM 575 CE LYS A 35 -1.261 -7.686 -4.958 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.794 -9.080 -4.869 1.00 0.00 N ATOM 0 H LYS A 35 4.460 -7.505 -4.510 1.00 0.00 H new ATOM 0 HA LYS A 35 2.470 -9.502 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.117 -7.646 -6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.068 -9.002 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.053 -8.027 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.493 -6.571 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.012 -6.996 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.029 -8.732 -6.351 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.028 -7.293 -3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.995 -7.014 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.359 -9.181 -4.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.392 -9.276 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.002 -9.754 -4.847 1.00 0.00 H new ATOM 590 N ASP A 36 4.874 -10.516 -5.724 1.00 0.00 N ATOM 591 CA ASP A 36 5.477 -11.775 -6.277 1.00 0.00 C ATOM 592 C ASP A 36 6.152 -12.603 -5.159 1.00 0.00 C ATOM 593 O ASP A 36 6.027 -13.816 -5.135 1.00 0.00 O ATOM 594 CB ASP A 36 6.510 -11.320 -7.323 1.00 0.00 C ATOM 595 CG ASP A 36 5.792 -10.927 -8.622 1.00 0.00 C ATOM 596 OD1 ASP A 36 5.346 -9.795 -8.720 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.703 -11.766 -9.503 1.00 0.00 O ATOM 0 H ASP A 36 5.432 -9.674 -5.867 1.00 0.00 H new ATOM 0 HA ASP A 36 4.717 -12.419 -6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.080 -10.473 -6.941 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.222 -12.122 -7.518 1.00 0.00 H new ATOM 602 N ASP A 37 6.870 -11.962 -4.241 1.00 0.00 N ATOM 603 CA ASP A 37 7.558 -12.719 -3.133 1.00 0.00 C ATOM 604 C ASP A 37 7.051 -12.275 -1.739 1.00 0.00 C ATOM 605 O ASP A 37 7.365 -11.185 -1.284 1.00 0.00 O ATOM 606 CB ASP A 37 9.047 -12.395 -3.292 1.00 0.00 C ATOM 607 CG ASP A 37 9.885 -13.441 -2.542 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.976 -13.343 -1.327 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.418 -14.320 -3.195 1.00 0.00 O ATOM 0 H ASP A 37 7.005 -10.951 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 37 7.357 -13.788 -3.199 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.317 -12.387 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.256 -11.399 -2.902 1.00 0.00 H new ATOM 614 N PRO A 38 6.282 -13.149 -1.099 1.00 0.00 N ATOM 615 CA PRO A 38 5.728 -12.861 0.263 1.00 0.00 C ATOM 616 C PRO A 38 6.810 -12.899 1.377 1.00 0.00 C ATOM 617 O PRO A 38 6.706 -12.178 2.354 1.00 0.00 O ATOM 618 CB PRO A 38 4.729 -13.999 0.474 1.00 0.00 C ATOM 619 CG PRO A 38 5.223 -15.113 -0.382 1.00 0.00 C ATOM 620 CD PRO A 38 5.845 -14.472 -1.584 1.00 0.00 C ATOM 0 HA PRO A 38 5.298 -11.861 0.319 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.686 -14.296 1.522 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.722 -13.698 0.186 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.950 -15.723 0.154 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.406 -15.773 -0.672 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.685 -15.057 -1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.130 -14.381 -2.402 1.00 0.00 H new ATOM 628 N SER A 39 7.808 -13.758 1.258 1.00 0.00 N ATOM 629 CA SER A 39 8.868 -13.881 2.333 1.00 0.00 C ATOM 630 C SER A 39 9.747 -12.627 2.476 1.00 0.00 C ATOM 631 O SER A 39 10.135 -12.288 3.582 1.00 0.00 O ATOM 632 CB SER A 39 9.727 -15.088 1.934 1.00 0.00 C ATOM 633 OG SER A 39 8.921 -16.263 1.928 1.00 0.00 O ATOM 0 H SER A 39 7.936 -14.382 0.461 1.00 0.00 H new ATOM 0 HA SER A 39 8.390 -14.003 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.163 -14.928 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.555 -15.206 2.633 1.00 0.00 H new ATOM 0 HG SER A 39 8.545 -16.407 2.822 1.00 0.00 H new ATOM 639 N GLN A 40 10.063 -11.933 1.398 1.00 0.00 N ATOM 640 CA GLN A 40 10.922 -10.702 1.532 1.00 0.00 C ATOM 641 C GLN A 40 10.078 -9.453 1.856 1.00 0.00 C ATOM 642 O GLN A 40 10.598 -8.364 1.826 1.00 0.00 O ATOM 643 CB GLN A 40 11.666 -10.527 0.191 1.00 0.00 C ATOM 644 CG GLN A 40 10.690 -10.146 -0.919 1.00 0.00 C ATOM 645 CD GLN A 40 11.446 -10.023 -2.247 1.00 0.00 C ATOM 646 OE1 GLN A 40 11.731 -11.012 -2.893 1.00 0.00 O ATOM 647 NE2 GLN A 40 11.792 -8.846 -2.687 1.00 0.00 N ATOM 0 H GLN A 40 9.769 -12.161 0.448 1.00 0.00 H new ATOM 0 HA GLN A 40 11.624 -10.820 2.358 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.430 -9.756 0.291 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.179 -11.453 -0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.907 -10.899 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.200 -9.202 -0.679 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.556 -8.011 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.299 -8.760 -3.568 1.00 0.00 H new ATOM 656 N SER A 41 8.792 -9.592 2.148 1.00 0.00 N ATOM 657 CA SER A 41 7.941 -8.384 2.441 1.00 0.00 C ATOM 658 C SER A 41 8.490 -7.557 3.605 1.00 0.00 C ATOM 659 O SER A 41 8.585 -6.352 3.485 1.00 0.00 O ATOM 660 CB SER A 41 6.542 -8.914 2.769 1.00 0.00 C ATOM 661 OG SER A 41 5.989 -9.523 1.612 1.00 0.00 O ATOM 0 H SER A 41 8.302 -10.486 2.195 1.00 0.00 H new ATOM 0 HA SER A 41 7.930 -7.715 1.581 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.596 -9.636 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.902 -8.099 3.107 1.00 0.00 H new ATOM 0 HG SER A 41 6.239 -10.470 1.590 1.00 0.00 H new ATOM 667 N ALA A 42 8.880 -8.168 4.711 1.00 0.00 N ATOM 668 CA ALA A 42 9.462 -7.343 5.830 1.00 0.00 C ATOM 669 C ALA A 42 10.720 -6.637 5.326 1.00 0.00 C ATOM 670 O ALA A 42 10.878 -5.449 5.509 1.00 0.00 O ATOM 671 CB ALA A 42 9.867 -8.309 6.909 1.00 0.00 C ATOM 0 H ALA A 42 8.823 -9.172 4.883 1.00 0.00 H new ATOM 0 HA ALA A 42 8.745 -6.605 6.190 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.297 -7.760 7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.992 -8.863 7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.607 -9.006 6.515 1.00 0.00 H new ATOM 677 N ASN A 43 11.588 -7.375 4.645 1.00 0.00 N ATOM 678 CA ASN A 43 12.825 -6.771 4.052 1.00 0.00 C ATOM 679 C ASN A 43 12.420 -5.666 3.093 1.00 0.00 C ATOM 680 O ASN A 43 13.059 -4.653 3.030 1.00 0.00 O ATOM 681 CB ASN A 43 13.498 -7.873 3.244 1.00 0.00 C ATOM 682 CG ASN A 43 14.677 -8.470 4.024 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.759 -8.607 3.492 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.518 -8.839 5.269 1.00 0.00 N ATOM 0 H ASN A 43 11.483 -8.376 4.479 1.00 0.00 H new ATOM 0 HA ASN A 43 13.480 -6.369 4.825 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.775 -8.655 3.012 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.849 -7.472 2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.301 -9.239 5.786 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.611 -8.727 5.722 1.00 0.00 H new ATOM 691 N LEU A 44 11.341 -5.878 2.357 1.00 0.00 N ATOM 692 CA LEU A 44 10.841 -4.850 1.399 1.00 0.00 C ATOM 693 C LEU A 44 10.415 -3.633 2.139 1.00 0.00 C ATOM 694 O LEU A 44 10.755 -2.536 1.750 1.00 0.00 O ATOM 695 CB LEU A 44 9.671 -5.465 0.673 1.00 0.00 C ATOM 696 CG LEU A 44 10.220 -6.378 -0.388 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.055 -7.051 -1.083 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.063 -5.541 -1.358 1.00 0.00 C ATOM 0 H LEU A 44 10.787 -6.734 2.388 1.00 0.00 H new ATOM 0 HA LEU A 44 11.618 -4.552 0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.040 -6.021 1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.048 -4.690 0.226 1.00 0.00 H new ATOM 0 HG LEU A 44 10.860 -7.153 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.430 -7.719 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.480 -7.625 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.415 -6.294 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.471 -6.186 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.438 -4.773 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.881 -5.068 -0.814 1.00 0.00 H new ATOM 710 N LEU A 45 9.723 -3.805 3.238 1.00 0.00 N ATOM 711 CA LEU A 45 9.378 -2.607 4.016 1.00 0.00 C ATOM 712 C LEU A 45 10.685 -2.035 4.555 1.00 0.00 C ATOM 713 O LEU A 45 10.918 -0.885 4.410 1.00 0.00 O ATOM 714 CB LEU A 45 8.446 -3.033 5.130 1.00 0.00 C ATOM 715 CG LEU A 45 8.306 -1.896 6.149 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.028 -0.563 5.428 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.160 -2.237 7.093 1.00 0.00 C ATOM 0 H LEU A 45 9.397 -4.697 3.610 1.00 0.00 H new ATOM 0 HA LEU A 45 8.874 -1.843 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.469 -3.291 4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.833 -3.927 5.619 1.00 0.00 H new ATOM 0 HG LEU A 45 9.232 -1.786 6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.931 0.235 6.164 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.853 -0.336 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.103 -0.644 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.044 -1.440 7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.237 -2.342 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.378 -3.174 7.606 1.00 0.00 H new ATOM 729 N ALA A 46 11.549 -2.850 5.132 1.00 0.00 N ATOM 730 CA ALA A 46 12.872 -2.326 5.641 1.00 0.00 C ATOM 731 C ALA A 46 13.632 -1.579 4.542 1.00 0.00 C ATOM 732 O ALA A 46 14.154 -0.522 4.789 1.00 0.00 O ATOM 733 CB ALA A 46 13.695 -3.550 5.994 1.00 0.00 C ATOM 0 H ALA A 46 11.398 -3.849 5.272 1.00 0.00 H new ATOM 0 HA ALA A 46 12.705 -1.648 6.478 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.669 -3.237 6.370 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.178 -4.127 6.760 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.830 -4.166 5.105 1.00 0.00 H new ATOM 739 N GLU A 47 13.690 -2.116 3.334 1.00 0.00 N ATOM 740 CA GLU A 47 14.400 -1.393 2.235 1.00 0.00 C ATOM 741 C GLU A 47 13.564 -0.167 1.860 1.00 0.00 C ATOM 742 O GLU A 47 14.115 0.879 1.600 1.00 0.00 O ATOM 743 CB GLU A 47 14.652 -2.368 1.076 1.00 0.00 C ATOM 744 CG GLU A 47 13.394 -2.992 0.544 1.00 0.00 C ATOM 745 CD GLU A 47 13.779 -4.194 -0.333 1.00 0.00 C ATOM 746 OE1 GLU A 47 14.000 -4.002 -1.517 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.867 -5.286 0.205 1.00 0.00 O ATOM 0 H GLU A 47 13.279 -3.012 3.073 1.00 0.00 H new ATOM 0 HA GLU A 47 15.382 -1.029 2.538 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.157 -1.839 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.326 -3.155 1.412 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.753 -3.312 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.827 -2.265 -0.037 1.00 0.00 H new ATOM 754 N ALA A 48 12.239 -0.256 1.914 1.00 0.00 N ATOM 755 CA ALA A 48 11.406 0.952 1.678 1.00 0.00 C ATOM 756 C ALA A 48 11.660 1.964 2.827 1.00 0.00 C ATOM 757 O ALA A 48 11.775 3.150 2.594 1.00 0.00 O ATOM 758 CB ALA A 48 9.984 0.424 1.718 1.00 0.00 C ATOM 0 H ALA A 48 11.719 -1.112 2.110 1.00 0.00 H new ATOM 0 HA ALA A 48 11.622 1.467 0.742 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.286 1.245 1.553 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.852 -0.326 0.938 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.790 -0.027 2.691 1.00 0.00 H new ATOM 764 N LYS A 49 11.814 1.466 4.054 1.00 0.00 N ATOM 765 CA LYS A 49 12.141 2.319 5.247 1.00 0.00 C ATOM 766 C LYS A 49 13.538 2.905 5.020 1.00 0.00 C ATOM 767 O LYS A 49 13.801 4.070 5.244 1.00 0.00 O ATOM 768 CB LYS A 49 12.187 1.332 6.437 1.00 0.00 C ATOM 769 CG LYS A 49 10.797 0.835 6.823 1.00 0.00 C ATOM 770 CD LYS A 49 9.896 2.003 7.163 1.00 0.00 C ATOM 771 CE LYS A 49 8.719 1.481 7.978 1.00 0.00 C ATOM 772 NZ LYS A 49 7.545 2.308 7.570 1.00 0.00 N ATOM 0 H LYS A 49 11.721 0.474 4.271 1.00 0.00 H new ATOM 0 HA LYS A 49 11.430 3.127 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.817 0.481 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.648 1.820 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.367 0.263 6.001 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.869 0.162 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.446 2.754 7.730 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.542 2.487 6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.542 0.424 7.777 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.911 1.575 9.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.680 1.914 7.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.677 3.285 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.460 2.302 6.534 1.00 0.00 H new ATOM 786 N LYS A 50 14.407 2.054 4.518 1.00 0.00 N ATOM 787 CA LYS A 50 15.810 2.420 4.169 1.00 0.00 C ATOM 788 C LYS A 50 15.776 3.505 3.080 1.00 0.00 C ATOM 789 O LYS A 50 16.531 4.460 3.123 1.00 0.00 O ATOM 790 CB LYS A 50 16.388 1.077 3.673 1.00 0.00 C ATOM 791 CG LYS A 50 17.605 1.238 2.758 1.00 0.00 C ATOM 792 CD LYS A 50 17.664 0.024 1.812 1.00 0.00 C ATOM 793 CE LYS A 50 18.082 -1.232 2.598 1.00 0.00 C ATOM 794 NZ LYS A 50 18.291 -2.295 1.568 1.00 0.00 N ATOM 0 H LYS A 50 14.182 1.077 4.330 1.00 0.00 H new ATOM 0 HA LYS A 50 16.409 2.837 4.979 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.668 0.471 4.534 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.611 0.531 3.138 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.529 2.162 2.185 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.518 1.303 3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.691 -0.134 1.348 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.374 0.213 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.994 -1.053 3.168 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.311 -1.523 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.578 -3.179 2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.405 -2.451 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.035 -1.996 0.906 1.00 0.00 H new ATOM 808 N LEU A 51 14.864 3.371 2.131 1.00 0.00 N ATOM 809 CA LEU A 51 14.710 4.395 1.049 1.00 0.00 C ATOM 810 C LEU A 51 14.102 5.669 1.634 1.00 0.00 C ATOM 811 O LEU A 51 14.446 6.759 1.241 1.00 0.00 O ATOM 812 CB LEU A 51 13.738 3.778 0.035 1.00 0.00 C ATOM 813 CG LEU A 51 14.473 3.177 -1.170 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.820 2.576 -0.767 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.607 2.073 -1.752 1.00 0.00 C ATOM 0 H LEU A 51 14.217 2.585 2.066 1.00 0.00 H new ATOM 0 HA LEU A 51 15.665 4.654 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.148 3.003 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.040 4.541 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 51 14.656 3.970 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.311 2.160 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.450 3.353 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.661 1.786 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.111 1.631 -2.612 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.438 1.306 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.650 2.489 -2.067 1.00 0.00 H new ATOM 827 N ASN A 52 13.191 5.517 2.571 1.00 0.00 N ATOM 828 CA ASN A 52 12.533 6.691 3.213 1.00 0.00 C ATOM 829 C ASN A 52 13.585 7.603 3.868 1.00 0.00 C ATOM 830 O ASN A 52 13.523 8.808 3.741 1.00 0.00 O ATOM 831 CB ASN A 52 11.597 6.091 4.269 1.00 0.00 C ATOM 832 CG ASN A 52 10.700 7.183 4.842 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.785 7.632 4.190 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.934 7.635 6.042 1.00 0.00 N ATOM 0 H ASN A 52 12.875 4.612 2.919 1.00 0.00 H new ATOM 0 HA ASN A 52 11.992 7.307 2.494 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.989 5.304 3.824 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.180 5.631 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.345 8.370 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.706 7.254 6.589 1.00 0.00 H new ATOM 841 N ASP A 53 14.556 7.022 4.548 1.00 0.00 N ATOM 842 CA ASP A 53 15.634 7.842 5.206 1.00 0.00 C ATOM 843 C ASP A 53 16.720 8.247 4.188 1.00 0.00 C ATOM 844 O ASP A 53 17.219 9.358 4.228 1.00 0.00 O ATOM 845 CB ASP A 53 16.238 6.948 6.300 1.00 0.00 C ATOM 846 CG ASP A 53 15.164 6.544 7.327 1.00 0.00 C ATOM 847 OD1 ASP A 53 14.515 7.426 7.872 1.00 0.00 O ATOM 848 OD2 ASP A 53 15.017 5.356 7.558 1.00 0.00 O ATOM 0 H ASP A 53 14.647 6.014 4.675 1.00 0.00 H new ATOM 0 HA ASP A 53 15.227 8.765 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.671 6.055 5.849 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.048 7.477 6.802 1.00 0.00 H new ATOM 853 N ALA A 54 17.080 7.355 3.280 1.00 0.00 N ATOM 854 CA ALA A 54 18.130 7.679 2.246 1.00 0.00 C ATOM 855 C ALA A 54 17.608 8.750 1.272 1.00 0.00 C ATOM 856 O ALA A 54 18.303 9.700 0.957 1.00 0.00 O ATOM 857 CB ALA A 54 18.397 6.361 1.510 1.00 0.00 C ATOM 0 H ALA A 54 16.690 6.415 3.212 1.00 0.00 H new ATOM 0 HA ALA A 54 19.038 8.078 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.153 6.520 0.741 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.753 5.614 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.475 6.010 1.046 1.00 0.00 H new ATOM 863 N GLN A 55 16.375 8.607 0.821 1.00 0.00 N ATOM 864 CA GLN A 55 15.764 9.619 -0.110 1.00 0.00 C ATOM 865 C GLN A 55 15.170 10.810 0.684 1.00 0.00 C ATOM 866 O GLN A 55 14.696 11.765 0.090 1.00 0.00 O ATOM 867 CB GLN A 55 14.642 8.882 -0.852 1.00 0.00 C ATOM 868 CG GLN A 55 15.201 7.687 -1.648 1.00 0.00 C ATOM 869 CD GLN A 55 14.052 6.986 -2.376 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.100 6.803 -3.575 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.012 6.591 -1.695 1.00 0.00 N ATOM 0 H GLN A 55 15.764 7.827 1.061 1.00 0.00 H new ATOM 0 HA GLN A 55 16.511 10.024 -0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.897 8.532 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.135 9.570 -1.529 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.947 8.029 -2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.701 6.989 -0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.973 6.746 -0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.237 6.128 -2.170 1.00 0.00 H new ATOM 880 N ALA A 56 15.180 10.757 2.015 1.00 0.00 N ATOM 881 CA ALA A 56 14.607 11.879 2.841 1.00 0.00 C ATOM 882 C ALA A 56 15.405 13.174 2.671 1.00 0.00 C ATOM 883 O ALA A 56 16.582 13.149 2.352 1.00 0.00 O ATOM 884 CB ALA A 56 14.695 11.430 4.304 1.00 0.00 C ATOM 0 H ALA A 56 15.562 9.981 2.556 1.00 0.00 H new ATOM 0 HA ALA A 56 13.584 12.083 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.291 12.210 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.120 10.514 4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.737 11.246 4.566 1.00 0.00 H new ATOM 890 N PRO A 57 14.720 14.279 2.908 1.00 0.00 N ATOM 891 CA PRO A 57 15.361 15.612 2.799 1.00 0.00 C ATOM 892 C PRO A 57 16.335 15.859 3.969 1.00 0.00 C ATOM 893 O PRO A 57 16.140 15.360 5.068 1.00 0.00 O ATOM 894 CB PRO A 57 14.183 16.580 2.852 1.00 0.00 C ATOM 895 CG PRO A 57 13.109 15.846 3.589 1.00 0.00 C ATOM 896 CD PRO A 57 13.300 14.386 3.293 1.00 0.00 C ATOM 0 HA PRO A 57 15.959 15.721 1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.454 17.503 3.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.855 16.857 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.177 16.035 4.660 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.122 16.180 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.076 13.770 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.643 14.053 2.489 1.00 0.00 H new ATOM 904 N LYS A 58 17.375 16.632 3.734 1.00 0.00 N ATOM 905 CA LYS A 58 18.373 16.930 4.816 1.00 0.00 C ATOM 906 C LYS A 58 17.932 18.171 5.621 1.00 0.00 C ATOM 907 O LYS A 58 17.782 18.041 6.823 1.00 0.00 O ATOM 908 CB LYS A 58 19.701 17.189 4.086 1.00 0.00 C ATOM 909 CG LYS A 58 20.845 17.289 5.105 1.00 0.00 C ATOM 910 CD LYS A 58 21.956 18.192 4.553 1.00 0.00 C ATOM 911 CE LYS A 58 21.846 19.598 5.168 1.00 0.00 C ATOM 912 NZ LYS A 58 20.787 20.314 4.387 1.00 0.00 N ATOM 913 OXT LYS A 58 17.756 19.226 5.025 1.00 0.00 O ATOM 0 H LYS A 58 17.575 17.070 2.835 1.00 0.00 H new ATOM 0 HA LYS A 58 18.464 16.111 5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.901 16.384 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 58 19.635 18.111 3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 58 20.471 17.691 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.243 16.297 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 58 22.932 17.762 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.880 18.254 3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.580 19.541 6.224 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.798 20.125 5.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.809 21.327 4.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.962 20.189 3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.854 19.923 4.628 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -0.688 -18.953 -10.561 1.00 0.00 N ATOM 929 CA VAL B 1 -0.035 -18.063 -9.532 1.00 0.00 C ATOM 930 C VAL B 1 0.484 -16.767 -10.196 1.00 0.00 C ATOM 931 O VAL B 1 1.668 -16.463 -10.160 1.00 0.00 O ATOM 932 CB VAL B 1 1.128 -18.876 -8.891 1.00 0.00 C ATOM 933 CG1 VAL B 1 0.564 -19.954 -7.958 1.00 0.00 C ATOM 934 CG2 VAL B 1 2.003 -19.543 -9.969 1.00 0.00 C ATOM 0 H1 VAL B 1 -0.880 -19.885 -10.142 1.00 0.00 H new ATOM 0 H2 VAL B 1 -1.582 -18.524 -10.874 1.00 0.00 H new ATOM 0 H3 VAL B 1 -0.053 -19.064 -11.377 1.00 0.00 H new ATOM 0 HA VAL B 1 -0.748 -17.763 -8.764 1.00 0.00 H new ATOM 0 HB VAL B 1 1.746 -18.182 -8.322 1.00 0.00 H new ATOM 0 HG11 VAL B 1 1.385 -20.517 -7.515 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -0.021 -19.482 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -0.074 -20.630 -8.527 1.00 0.00 H new ATOM 0 HG21 VAL B 1 2.806 -20.103 -9.490 1.00 0.00 H new ATOM 0 HG22 VAL B 1 1.392 -20.221 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL B 1 2.430 -18.777 -10.616 1.00 0.00 H new ATOM 946 N ASP B 2 -0.408 -16.002 -10.798 1.00 0.00 N ATOM 947 CA ASP B 2 0.007 -14.724 -11.468 1.00 0.00 C ATOM 948 C ASP B 2 0.086 -13.583 -10.439 1.00 0.00 C ATOM 949 O ASP B 2 -0.890 -13.263 -9.781 1.00 0.00 O ATOM 950 CB ASP B 2 -1.079 -14.434 -12.518 1.00 0.00 C ATOM 951 CG ASP B 2 -0.675 -13.219 -13.364 1.00 0.00 C ATOM 952 OD1 ASP B 2 0.034 -13.409 -14.337 1.00 0.00 O ATOM 953 OD2 ASP B 2 -1.079 -12.120 -13.020 1.00 0.00 O ATOM 0 H ASP B 2 -1.405 -16.211 -10.852 1.00 0.00 H new ATOM 0 HA ASP B 2 0.993 -14.808 -11.926 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -1.219 -15.304 -13.159 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -2.033 -14.244 -12.025 1.00 0.00 H new ATOM 958 N ASN B 3 1.243 -12.968 -10.312 1.00 0.00 N ATOM 959 CA ASN B 3 1.408 -11.837 -9.341 1.00 0.00 C ATOM 960 C ASN B 3 1.660 -10.522 -10.100 1.00 0.00 C ATOM 961 O ASN B 3 2.551 -9.759 -9.771 1.00 0.00 O ATOM 962 CB ASN B 3 2.611 -12.224 -8.463 1.00 0.00 C ATOM 963 CG ASN B 3 2.240 -13.403 -7.556 1.00 0.00 C ATOM 964 OD1 ASN B 3 1.352 -13.295 -6.732 1.00 0.00 O ATOM 965 ND2 ASN B 3 2.884 -14.532 -7.672 1.00 0.00 N ATOM 0 H ASN B 3 2.082 -13.203 -10.842 1.00 0.00 H new ATOM 0 HA ASN B 3 0.517 -11.676 -8.733 1.00 0.00 H new ATOM 0 HB2 ASN B 3 3.460 -12.492 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN B 3 2.919 -11.372 -7.858 1.00 0.00 H new ATOM 0 HD21 ASN B 3 2.642 -15.321 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN B 3 3.629 -14.625 -8.362 1.00 0.00 H new ATOM 972 N LYS B 4 0.859 -10.250 -11.112 1.00 0.00 N ATOM 973 CA LYS B 4 1.015 -8.979 -11.911 1.00 0.00 C ATOM 974 C LYS B 4 -0.005 -7.909 -11.453 1.00 0.00 C ATOM 975 O LYS B 4 -0.275 -6.962 -12.174 1.00 0.00 O ATOM 976 CB LYS B 4 0.751 -9.379 -13.371 1.00 0.00 C ATOM 977 CG LYS B 4 1.806 -10.387 -13.845 1.00 0.00 C ATOM 978 CD LYS B 4 1.583 -10.699 -15.325 1.00 0.00 C ATOM 979 CE LYS B 4 2.521 -11.834 -15.761 1.00 0.00 C ATOM 980 NZ LYS B 4 1.778 -12.584 -16.820 1.00 0.00 N ATOM 0 H LYS B 4 0.099 -10.856 -11.421 1.00 0.00 H new ATOM 0 HA LYS B 4 2.005 -8.543 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.244 -9.814 -13.462 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.772 -8.494 -14.007 1.00 0.00 H new ATOM 0 HG2 LYS B 4 2.806 -9.981 -13.695 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.741 -11.302 -13.256 1.00 0.00 H new ATOM 0 HD2 LYS B 4 0.545 -10.987 -15.494 1.00 0.00 H new ATOM 0 HD3 LYS B 4 1.769 -9.809 -15.926 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.461 -11.440 -16.146 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.768 -12.483 -14.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.423 -13.251 -17.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 0.992 -13.110 -16.387 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 1.401 -11.914 -17.521 1.00 0.00 H new ATOM 994 N PHE B 5 -0.576 -8.053 -10.267 1.00 0.00 N ATOM 995 CA PHE B 5 -1.581 -7.066 -9.760 1.00 0.00 C ATOM 996 C PHE B 5 -0.919 -6.060 -8.793 1.00 0.00 C ATOM 997 O PHE B 5 -1.543 -5.584 -7.859 1.00 0.00 O ATOM 998 CB PHE B 5 -2.609 -7.931 -9.017 1.00 0.00 C ATOM 999 CG PHE B 5 -3.208 -8.961 -9.957 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.191 -8.581 -10.878 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -2.767 -10.290 -9.913 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -4.731 -9.525 -11.751 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -3.312 -11.235 -10.786 1.00 0.00 C ATOM 1004 CZ PHE B 5 -4.294 -10.854 -11.707 1.00 0.00 C ATOM 0 H PHE B 5 -0.380 -8.824 -9.628 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.027 -6.474 -10.559 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -2.132 -8.432 -8.174 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.398 -7.300 -8.608 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.531 -7.557 -10.913 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -2.006 -10.584 -9.205 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.488 -9.230 -12.463 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -2.975 -12.260 -10.750 1.00 0.00 H new ATOM 0 HZ PHE B 5 -4.714 -11.584 -12.383 1.00 0.00 H new ATOM 1014 N ASN B 6 0.347 -5.746 -9.008 1.00 0.00 N ATOM 1015 CA ASN B 6 1.082 -4.786 -8.101 1.00 0.00 C ATOM 1016 C ASN B 6 1.174 -3.365 -8.687 1.00 0.00 C ATOM 1017 O ASN B 6 1.310 -2.405 -7.947 1.00 0.00 O ATOM 1018 CB ASN B 6 2.490 -5.383 -7.851 1.00 0.00 C ATOM 1019 CG ASN B 6 3.082 -6.047 -9.109 1.00 0.00 C ATOM 1020 OD1 ASN B 6 3.087 -5.471 -10.175 1.00 0.00 O ATOM 1021 ND2 ASN B 6 3.575 -7.252 -9.027 1.00 0.00 N ATOM 0 H ASN B 6 0.906 -6.116 -9.777 1.00 0.00 H new ATOM 0 HA ASN B 6 0.532 -4.675 -7.166 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.161 -4.594 -7.511 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.432 -6.119 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.961 -7.703 -9.857 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.574 -7.744 -8.133 1.00 0.00 H new ATOM 1028 N LYS B 7 1.061 -3.210 -9.987 1.00 0.00 N ATOM 1029 CA LYS B 7 1.103 -1.831 -10.598 1.00 0.00 C ATOM 1030 C LYS B 7 -0.122 -1.045 -10.159 1.00 0.00 C ATOM 1031 O LYS B 7 -0.052 0.141 -9.885 1.00 0.00 O ATOM 1032 CB LYS B 7 1.089 -2.042 -12.120 1.00 0.00 C ATOM 1033 CG LYS B 7 2.519 -1.977 -12.680 1.00 0.00 C ATOM 1034 CD LYS B 7 3.220 -3.331 -12.511 1.00 0.00 C ATOM 1035 CE LYS B 7 2.790 -4.293 -13.632 1.00 0.00 C ATOM 1036 NZ LYS B 7 2.180 -5.474 -12.944 1.00 0.00 N ATOM 0 H LYS B 7 0.942 -3.973 -10.653 1.00 0.00 H new ATOM 0 HA LYS B 7 1.985 -1.272 -10.287 1.00 0.00 H new ATOM 0 HB2 LYS B 7 0.642 -3.008 -12.356 1.00 0.00 H new ATOM 0 HB3 LYS B 7 0.470 -1.280 -12.594 1.00 0.00 H new ATOM 0 HG2 LYS B 7 2.492 -1.703 -13.735 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.084 -1.201 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.301 -3.195 -12.533 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.972 -3.759 -11.539 1.00 0.00 H new ATOM 0 HE2 LYS B 7 2.074 -3.818 -14.302 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.644 -4.592 -14.239 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.430 -6.343 -13.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.540 -5.532 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.146 -5.369 -12.925 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.231 -1.721 -10.068 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.493 -1.075 -9.620 1.00 0.00 C ATOM 1052 C GLU B 8 -2.439 -0.722 -8.132 1.00 0.00 C ATOM 1053 O GLU B 8 -3.080 0.217 -7.720 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.605 -2.082 -9.932 1.00 0.00 C ATOM 1055 CG GLU B 8 -3.453 -3.352 -9.084 1.00 0.00 C ATOM 1056 CD GLU B 8 -4.522 -4.365 -9.494 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.678 -4.137 -9.186 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.169 -5.349 -10.115 1.00 0.00 O ATOM 0 H GLU B 8 -1.317 -2.713 -10.290 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.667 -0.129 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -4.577 -1.627 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.578 -2.342 -10.990 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.460 -3.779 -9.222 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.552 -3.110 -8.026 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.661 -1.430 -7.329 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.576 -1.056 -5.877 1.00 0.00 C ATOM 1067 C LEU B 9 -0.772 0.230 -5.725 1.00 0.00 C ATOM 1068 O LEU B 9 -0.980 0.975 -4.788 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.876 -2.162 -5.088 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.434 -3.556 -5.395 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.495 -4.611 -4.775 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.840 -3.673 -4.777 1.00 0.00 C ATOM 0 H LEU B 9 -1.096 -2.231 -7.612 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.587 -0.916 -5.495 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.190 -2.145 -5.315 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.978 -1.962 -4.021 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.498 -3.716 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -0.880 -5.609 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.502 -4.508 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.443 -4.462 -3.696 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.249 -4.661 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.776 -3.529 -3.698 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.491 -2.911 -5.207 1.00 0.00 H new ATOM 1084 N SER B 10 0.131 0.513 -6.645 1.00 0.00 N ATOM 1085 CA SER B 10 0.906 1.782 -6.547 1.00 0.00 C ATOM 1086 C SER B 10 -0.083 2.955 -6.687 1.00 0.00 C ATOM 1087 O SER B 10 -0.053 3.891 -5.917 1.00 0.00 O ATOM 1088 CB SER B 10 1.907 1.735 -7.706 1.00 0.00 C ATOM 1089 OG SER B 10 2.353 3.051 -8.018 1.00 0.00 O ATOM 0 H SER B 10 0.356 -0.077 -7.446 1.00 0.00 H new ATOM 0 HA SER B 10 1.433 1.907 -5.601 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.757 1.108 -7.438 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.441 1.283 -8.582 1.00 0.00 H new ATOM 0 HG SER B 10 2.271 3.204 -8.982 1.00 0.00 H new ATOM 1095 N VAL B 11 -0.981 2.876 -7.652 1.00 0.00 N ATOM 1096 CA VAL B 11 -1.995 3.967 -7.861 1.00 0.00 C ATOM 1097 C VAL B 11 -3.177 3.804 -6.882 1.00 0.00 C ATOM 1098 O VAL B 11 -3.481 4.705 -6.121 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.465 3.816 -9.326 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.330 5.018 -9.720 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.252 3.729 -10.268 1.00 0.00 C ATOM 0 H VAL B 11 -1.053 2.097 -8.306 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.574 4.955 -7.675 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.051 2.901 -9.413 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.659 4.907 -10.753 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.200 5.070 -9.066 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.747 5.934 -9.621 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.597 3.623 -11.297 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.655 4.636 -10.177 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.643 2.866 -9.999 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.832 2.658 -6.903 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.003 2.399 -5.990 1.00 0.00 C ATOM 1113 C ALA B 12 -4.592 2.424 -4.525 1.00 0.00 C ATOM 1114 O ALA B 12 -5.239 3.045 -3.709 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.507 0.997 -6.355 1.00 0.00 C ATOM 0 H ALA B 12 -3.601 1.881 -7.523 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.765 3.168 -6.116 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.361 0.743 -5.727 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.808 0.980 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.710 0.271 -6.195 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.524 1.750 -4.204 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.036 1.681 -2.802 1.00 0.00 C ATOM 1123 C GLY B 13 -2.625 3.056 -2.297 1.00 0.00 C ATOM 1124 O GLY B 13 -3.101 3.490 -1.271 1.00 0.00 O ATOM 0 H GLY B 13 -2.956 1.231 -4.874 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.818 1.274 -2.161 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.187 1.000 -2.742 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.718 3.723 -2.985 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.246 5.063 -2.490 1.00 0.00 C ATOM 1130 C ARG B 14 -2.400 6.086 -2.376 1.00 0.00 C ATOM 1131 O ARG B 14 -2.458 6.832 -1.414 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.179 5.556 -3.472 1.00 0.00 C ATOM 1133 CG ARG B 14 1.026 6.111 -2.707 1.00 0.00 C ATOM 1134 CD ARG B 14 0.594 7.190 -1.715 1.00 0.00 C ATOM 1135 NE ARG B 14 1.793 7.395 -0.865 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.312 8.585 -0.717 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.371 8.926 -1.413 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.778 9.430 0.133 1.00 0.00 N ATOM 0 H ARG B 14 -1.291 3.403 -3.854 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.838 4.959 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.137 4.737 -4.119 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.597 6.329 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.528 5.303 -2.175 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.748 6.526 -3.410 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.304 8.109 -2.225 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.264 6.869 -1.124 1.00 0.00 H new ATOM 0 HE ARG B 14 2.217 6.598 -0.391 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.787 8.263 -2.067 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.779 9.854 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.959 9.157 0.677 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.182 10.359 0.250 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.335 6.119 -3.316 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.493 7.087 -3.182 1.00 0.00 C ATOM 1154 C GLU B 15 -5.310 6.699 -1.932 1.00 0.00 C ATOM 1155 O GLU B 15 -5.655 7.541 -1.124 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.331 6.930 -4.453 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.627 7.590 -5.643 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.516 7.477 -6.888 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.410 6.478 -7.580 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -6.297 8.386 -7.119 1.00 0.00 O ATOM 0 H GLU B 15 -3.348 5.533 -4.151 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.167 8.121 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.494 5.872 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.312 7.381 -4.307 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.422 8.638 -5.423 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.666 7.108 -5.824 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.539 5.407 -1.753 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.248 4.875 -0.538 1.00 0.00 C ATOM 1169 C ILE B 16 -5.396 5.174 0.733 1.00 0.00 C ATOM 1170 O ILE B 16 -5.921 5.301 1.824 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.376 3.346 -0.810 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.450 3.101 -1.884 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.763 2.596 0.462 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.406 1.642 -2.365 1.00 0.00 C ATOM 0 H ILE B 16 -5.255 4.687 -2.417 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.223 5.329 -0.364 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.409 2.978 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.436 3.327 -1.479 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.290 3.773 -2.727 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.846 1.531 0.245 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -5.999 2.753 1.224 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.721 2.968 0.826 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.172 1.486 -3.124 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.425 1.428 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.589 0.975 -1.522 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.084 5.286 0.573 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.151 5.584 1.716 1.00 0.00 C ATOM 1188 C VAL B 17 -3.228 7.055 2.158 1.00 0.00 C ATOM 1189 O VAL B 17 -3.125 7.341 3.339 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.728 5.280 1.163 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.629 6.026 1.937 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.454 3.795 1.248 1.00 0.00 C ATOM 0 H VAL B 17 -3.616 5.180 -0.327 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.409 4.988 2.591 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.708 5.621 0.128 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.345 5.781 1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.797 7.100 1.863 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.655 5.726 2.985 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.457 3.586 0.860 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.514 3.473 2.288 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.194 3.254 0.658 1.00 0.00 H new ATOM 1202 N THR B 18 -3.321 7.990 1.228 1.00 0.00 N ATOM 1203 CA THR B 18 -3.297 9.433 1.632 1.00 0.00 C ATOM 1204 C THR B 18 -4.437 10.289 1.036 1.00 0.00 C ATOM 1205 O THR B 18 -4.241 11.480 0.837 1.00 0.00 O ATOM 1206 CB THR B 18 -1.898 9.921 1.172 1.00 0.00 C ATOM 1207 OG1 THR B 18 -1.608 11.188 1.758 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.822 10.029 -0.362 1.00 0.00 C ATOM 0 H THR B 18 -3.411 7.816 0.227 1.00 0.00 H new ATOM 0 HA THR B 18 -3.464 9.539 2.704 1.00 0.00 H new ATOM 0 HB THR B 18 -1.160 9.189 1.500 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.376 11.786 1.642 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.830 10.373 -0.654 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.012 9.052 -0.805 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.570 10.739 -0.714 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.631 9.748 0.789 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.731 10.646 0.263 1.00 0.00 C ATOM 1218 C LEU B 19 -6.991 11.797 1.293 1.00 0.00 C ATOM 1219 O LEU B 19 -6.652 11.670 2.459 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.966 9.774 -0.017 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.301 8.854 1.156 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.790 8.958 1.423 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.942 7.403 0.799 1.00 0.00 C ATOM 0 H LEU B 19 -5.879 8.768 0.923 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.455 11.130 -0.674 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.821 10.416 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.790 9.173 -0.909 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.734 9.147 2.039 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.056 8.309 2.258 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.044 9.989 1.669 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.341 8.650 0.534 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.183 6.751 1.639 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.512 7.092 -0.077 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.876 7.335 0.581 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.468 12.924 0.788 1.00 0.00 N ATOM 1236 CA PRO B 20 -7.627 14.179 1.616 1.00 0.00 C ATOM 1237 C PRO B 20 -8.562 14.112 2.848 1.00 0.00 C ATOM 1238 O PRO B 20 -8.426 14.945 3.728 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.141 15.204 0.602 1.00 0.00 C ATOM 1240 CG PRO B 20 -8.771 14.391 -0.476 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.941 13.145 -0.590 1.00 0.00 C ATOM 0 HA PRO B 20 -6.673 14.412 2.089 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -8.862 15.884 1.057 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -7.328 15.816 0.212 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -9.805 14.150 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -8.787 14.938 -1.419 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.529 12.302 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.111 13.277 -1.284 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.509 13.199 2.930 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.435 13.199 4.132 1.00 0.00 C ATOM 1251 C ASN B 21 -10.473 11.845 4.869 1.00 0.00 C ATOM 1252 O ASN B 21 -11.497 11.490 5.435 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.827 13.488 3.562 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.943 14.887 2.939 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.121 15.755 3.155 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.968 15.140 2.174 1.00 0.00 N ATOM 0 H ASN B 21 -9.684 12.469 2.239 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.091 13.932 4.862 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.067 12.739 2.807 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.567 13.388 4.356 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.078 16.065 1.758 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.660 14.413 1.991 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.402 11.081 4.872 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.442 9.754 5.574 1.00 0.00 C ATOM 1265 C LEU B 22 -8.507 9.703 6.783 1.00 0.00 C ATOM 1266 O LEU B 22 -7.553 10.455 6.894 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.982 8.743 4.541 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.571 7.359 4.830 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.992 7.244 4.255 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.668 6.311 4.189 1.00 0.00 C ATOM 0 H LEU B 22 -8.515 11.314 4.426 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.444 9.558 5.955 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.284 9.071 3.546 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.893 8.687 4.541 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.628 7.204 5.907 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.393 6.254 4.471 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.631 8.001 4.710 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.961 7.396 3.176 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.070 5.317 4.383 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.621 6.480 3.113 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.666 6.386 4.612 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.779 8.773 7.665 1.00 0.00 N ATOM 1283 CA ASN B 23 -7.916 8.579 8.890 1.00 0.00 C ATOM 1284 C ASN B 23 -7.031 7.314 8.738 1.00 0.00 C ATOM 1285 O ASN B 23 -7.248 6.499 7.856 1.00 0.00 O ATOM 1286 CB ASN B 23 -8.884 8.493 10.098 1.00 0.00 C ATOM 1287 CG ASN B 23 -9.795 7.249 10.051 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.557 6.316 9.315 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.840 7.195 10.830 1.00 0.00 N ATOM 0 H ASN B 23 -9.568 8.130 7.595 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.220 9.406 9.034 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.304 8.478 11.021 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.503 9.390 10.125 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.445 6.374 10.815 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.052 7.973 11.454 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.006 7.176 9.568 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.055 6.004 9.461 1.00 0.00 C ATOM 1298 C ASP B 24 -5.706 4.588 9.552 1.00 0.00 C ATOM 1299 O ASP B 24 -5.253 3.705 8.837 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.954 6.213 10.532 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.510 6.141 11.960 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.996 7.154 12.439 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.425 5.078 12.554 1.00 0.00 O ATOM 0 H ASP B 24 -5.788 7.830 10.319 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.642 6.001 8.452 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.180 5.456 10.407 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.479 7.182 10.378 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.718 4.366 10.400 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.325 2.998 10.484 1.00 0.00 C ATOM 1310 C PRO B 25 -8.069 2.607 9.185 1.00 0.00 C ATOM 1311 O PRO B 25 -8.049 1.452 8.797 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.289 3.097 11.666 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.618 4.546 11.770 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.390 5.297 11.329 1.00 0.00 C ATOM 0 HA PRO B 25 -6.570 2.223 10.615 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.185 2.499 11.497 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.829 2.729 12.583 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.472 4.796 11.141 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.888 4.810 12.793 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.650 6.234 10.837 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.750 5.548 12.175 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.721 3.550 8.514 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.458 3.206 7.247 1.00 0.00 C ATOM 1324 C GLN B 26 -8.473 2.877 6.120 1.00 0.00 C ATOM 1325 O GLN B 26 -8.590 1.832 5.512 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.310 4.433 6.924 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.457 4.511 7.944 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.071 5.913 7.973 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -11.607 6.820 7.310 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -13.098 6.136 8.746 1.00 0.00 N ATOM 0 H GLN B 26 -8.771 4.530 8.791 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.082 2.320 7.361 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -9.703 5.337 6.966 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.707 4.363 5.911 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.224 3.779 7.691 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.085 4.252 8.935 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.490 5.378 9.304 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.508 7.069 8.792 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.489 3.738 5.854 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.476 3.430 4.767 1.00 0.00 C ATOM 1341 C LYS B 27 -5.855 2.058 5.010 1.00 0.00 C ATOM 1342 O LYS B 27 -5.695 1.282 4.086 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.390 4.528 4.758 1.00 0.00 C ATOM 1344 CG LYS B 27 -4.962 4.998 6.160 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.351 6.404 6.060 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.416 7.424 5.610 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.059 8.706 6.287 1.00 0.00 N ATOM 0 H LYS B 27 -7.349 4.626 6.337 1.00 0.00 H new ATOM 0 HA LYS B 27 -6.970 3.414 3.796 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.514 4.154 4.229 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.760 5.386 4.196 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.821 5.009 6.830 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.237 4.303 6.583 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.942 6.699 7.026 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.523 6.398 5.352 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.414 7.540 4.526 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.416 7.097 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.921 9.266 6.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.605 8.502 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.402 9.244 5.687 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.560 1.740 6.254 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.003 0.386 6.582 1.00 0.00 C ATOM 1363 C LYS B 28 -6.013 -0.708 6.171 1.00 0.00 C ATOM 1364 O LYS B 28 -5.646 -1.727 5.617 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.889 0.348 8.120 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.496 0.737 8.582 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.719 -0.528 8.961 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.228 -0.335 8.668 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.512 -1.352 9.495 1.00 0.00 N ATOM 0 H LYS B 28 -5.682 2.361 7.054 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.055 0.217 6.071 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.622 1.026 8.558 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.127 -0.653 8.479 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.974 1.275 7.790 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.558 1.410 9.437 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -2.864 -0.751 10.018 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.101 -1.381 8.400 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.017 -0.475 7.608 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -0.907 0.674 8.926 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.499 -1.113 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.909 -1.360 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.627 -2.292 9.066 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.284 -0.488 6.488 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.365 -1.490 6.185 1.00 0.00 C ATOM 1385 C ALA B 29 -8.482 -1.795 4.686 1.00 0.00 C ATOM 1386 O ALA B 29 -8.453 -2.957 4.310 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.666 -0.861 6.707 1.00 0.00 C ATOM 0 H ALA B 29 -7.615 0.359 6.951 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.142 -2.445 6.660 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.499 -1.539 6.519 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.579 -0.681 7.779 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.845 0.084 6.194 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.606 -0.795 3.817 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.715 -1.139 2.353 1.00 0.00 C ATOM 1395 C PHE B 30 -7.339 -1.506 1.765 1.00 0.00 C ATOM 1396 O PHE B 30 -7.284 -2.275 0.837 1.00 0.00 O ATOM 1397 CB PHE B 30 -9.361 -0.003 1.502 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.796 1.241 2.238 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -8.849 2.196 2.561 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -11.152 1.488 2.496 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -9.242 3.393 3.158 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.541 2.686 3.075 1.00 0.00 C ATOM 1403 CZ PHE B 30 -10.588 3.642 3.409 1.00 0.00 C ATOM 0 H PHE B 30 -8.635 0.198 4.049 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.378 -2.003 2.301 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.648 0.291 0.732 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -10.231 -0.416 0.990 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -7.805 2.014 2.351 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -11.894 0.745 2.244 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -8.499 4.130 3.427 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.586 2.877 3.267 1.00 0.00 H new ATOM 0 HZ PHE B 30 -10.891 4.574 3.862 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.227 -0.989 2.278 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.893 -1.390 1.688 1.00 0.00 C ATOM 1415 C ILE B 31 -4.619 -2.869 1.967 1.00 0.00 C ATOM 1416 O ILE B 31 -4.247 -3.607 1.074 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.807 -0.518 2.326 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.789 0.826 1.568 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.422 -1.231 2.216 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.378 1.192 1.181 1.00 0.00 C ATOM 0 H ILE B 31 -6.187 -0.328 3.054 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.900 -1.245 0.608 1.00 0.00 H new ATOM 0 HB ILE B 31 -4.012 -0.351 3.383 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.411 0.756 0.676 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.216 1.610 2.194 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.654 -0.606 2.671 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.464 -2.189 2.734 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.180 -1.396 1.166 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.382 2.142 0.647 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.766 1.283 2.079 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.964 0.416 0.537 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.789 -3.295 3.202 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.533 -4.728 3.543 1.00 0.00 C ATOM 1434 C PHE B 32 -5.458 -5.624 2.683 1.00 0.00 C ATOM 1435 O PHE B 32 -5.024 -6.647 2.189 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.769 -4.848 5.067 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.486 -4.461 5.821 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.839 -3.197 5.599 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.897 -5.381 6.738 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.668 -2.901 6.274 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.714 -5.045 7.383 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.111 -3.820 7.155 1.00 0.00 C ATOM 0 H PHE B 32 -5.093 -2.712 3.982 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.519 -5.061 3.321 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.590 -4.199 5.370 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.058 -5.868 5.321 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.264 -2.483 4.910 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.368 -6.334 6.930 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.183 -1.949 6.115 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.260 -5.746 8.069 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.194 -3.575 7.670 1.00 0.00 H new ATOM 1452 N SER B 33 -6.698 -5.201 2.426 1.00 0.00 N ATOM 1453 CA SER B 33 -7.597 -6.000 1.513 1.00 0.00 C ATOM 1454 C SER B 33 -7.171 -5.781 0.034 1.00 0.00 C ATOM 1455 O SER B 33 -7.245 -6.696 -0.764 1.00 0.00 O ATOM 1456 CB SER B 33 -9.033 -5.515 1.776 1.00 0.00 C ATOM 1457 OG SER B 33 -9.164 -4.153 1.415 1.00 0.00 O ATOM 0 H SER B 33 -7.112 -4.350 2.806 1.00 0.00 H new ATOM 0 HA SER B 33 -7.527 -7.071 1.704 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.739 -6.119 1.206 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.281 -5.645 2.829 1.00 0.00 H new ATOM 0 HG SER B 33 -8.275 -3.760 1.293 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.675 -4.586 -0.314 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.167 -4.309 -1.721 1.00 0.00 C ATOM 1465 C LEU B 34 -5.041 -5.305 -2.013 1.00 0.00 C ATOM 1466 O LEU B 34 -4.959 -5.869 -3.090 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.616 -2.855 -1.691 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.139 -2.391 -3.074 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.325 -1.886 -3.907 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.116 -1.250 -2.913 1.00 0.00 C ATOM 0 H LEU B 34 -6.603 -3.793 0.323 1.00 0.00 H new ATOM 0 HA LEU B 34 -6.935 -4.413 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.393 -2.181 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.789 -2.796 -0.984 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.677 -3.236 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.970 -1.561 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -7.050 -2.690 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.798 -1.048 -3.395 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.779 -0.922 -3.896 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.583 -0.414 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.262 -1.606 -2.337 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.198 -5.538 -1.024 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.087 -6.513 -1.171 1.00 0.00 C ATOM 1484 C TRP B 35 -3.626 -7.955 -1.328 1.00 0.00 C ATOM 1485 O TRP B 35 -3.153 -8.701 -2.167 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.281 -6.414 0.119 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.050 -7.200 -0.101 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.793 -8.410 0.421 1.00 0.00 C ATOM 1489 CD2 TRP B 35 0.058 -6.879 -0.965 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.425 -8.838 -0.048 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.993 -7.922 -0.896 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.346 -5.779 -1.779 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.173 -7.879 -1.613 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.534 -5.733 -2.502 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.441 -6.774 -2.418 1.00 0.00 C ATOM 0 H TRP B 35 -4.244 -5.081 -0.113 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.491 -6.292 -2.057 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.043 -5.376 0.350 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.848 -6.807 0.963 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.436 -8.955 1.096 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.855 -9.728 0.204 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.357 -4.962 -1.847 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.880 -8.693 -1.550 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.749 -4.882 -3.131 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.362 -6.730 -2.980 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.604 -8.344 -0.516 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.174 -9.734 -0.597 1.00 0.00 C ATOM 1508 C ASP B 36 -5.866 -9.945 -1.936 1.00 0.00 C ATOM 1509 O ASP B 36 -5.615 -10.923 -2.618 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.209 -9.855 0.544 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.522 -10.002 1.910 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.628 -10.829 2.031 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.915 -9.293 2.822 1.00 0.00 O ATOM 0 H ASP B 36 -5.027 -7.751 0.198 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.386 -10.481 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -6.850 -8.974 0.551 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.852 -10.716 0.364 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.737 -9.030 -2.315 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.449 -9.170 -3.607 1.00 0.00 C ATOM 1520 C ASP B 37 -7.536 -7.822 -4.337 1.00 0.00 C ATOM 1521 O ASP B 37 -8.532 -7.121 -4.221 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.854 -9.707 -3.266 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.759 -11.132 -2.704 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.614 -12.051 -3.494 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.831 -11.277 -1.495 1.00 0.00 O ATOM 0 H ASP B 37 -6.976 -8.197 -1.777 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.920 -9.848 -4.277 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.334 -9.053 -2.538 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.479 -9.702 -4.159 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.503 -7.509 -5.113 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.509 -6.253 -5.916 1.00 0.00 C ATOM 1532 C PRO B 38 -7.585 -6.296 -7.026 1.00 0.00 C ATOM 1533 O PRO B 38 -7.804 -5.308 -7.691 1.00 0.00 O ATOM 1534 CB PRO B 38 -5.112 -6.177 -6.499 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.637 -7.593 -6.514 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.252 -8.260 -5.314 1.00 0.00 C ATOM 0 HA PRO B 38 -6.754 -5.378 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -5.123 -5.751 -7.502 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.462 -5.546 -5.892 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.938 -8.094 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.549 -7.638 -6.468 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.443 -9.318 -5.495 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.601 -8.198 -4.442 1.00 0.00 H new ATOM 1544 N SER B 39 -8.295 -7.408 -7.207 1.00 0.00 N ATOM 1545 CA SER B 39 -9.401 -7.447 -8.228 1.00 0.00 C ATOM 1546 C SER B 39 -10.426 -6.353 -7.854 1.00 0.00 C ATOM 1547 O SER B 39 -11.004 -5.708 -8.711 1.00 0.00 O ATOM 1548 CB SER B 39 -10.028 -8.838 -8.106 1.00 0.00 C ATOM 1549 OG SER B 39 -10.322 -9.339 -9.404 1.00 0.00 O ATOM 0 H SER B 39 -8.151 -8.277 -6.693 1.00 0.00 H new ATOM 0 HA SER B 39 -9.056 -7.269 -9.247 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.345 -9.513 -7.590 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.938 -8.788 -7.509 1.00 0.00 H new ATOM 0 HG SER B 39 -10.722 -10.230 -9.328 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.595 -6.118 -6.556 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.518 -5.037 -6.061 1.00 0.00 C ATOM 1557 C GLN B 40 -10.753 -3.690 -5.941 1.00 0.00 C ATOM 1558 O GLN B 40 -11.239 -2.783 -5.311 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.982 -5.455 -4.642 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.311 -6.955 -4.533 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.309 -7.387 -5.616 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.286 -6.711 -5.876 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.105 -8.507 -6.258 1.00 0.00 N ATOM 0 H GLN B 40 -10.123 -6.640 -5.817 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.354 -4.912 -6.749 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.201 -5.207 -3.923 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.863 -4.875 -4.369 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.395 -7.538 -4.626 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.726 -7.168 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.287 -9.077 -6.043 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -13.764 -8.812 -6.974 1.00 0.00 H new ATOM 1572 N SER B 41 -9.556 -3.568 -6.512 1.00 0.00 N ATOM 1573 CA SER B 41 -8.746 -2.295 -6.406 1.00 0.00 C ATOM 1574 C SER B 41 -9.552 -1.070 -6.868 1.00 0.00 C ATOM 1575 O SER B 41 -9.505 -0.030 -6.232 1.00 0.00 O ATOM 1576 CB SER B 41 -7.553 -2.516 -7.320 1.00 0.00 C ATOM 1577 OG SER B 41 -6.705 -1.380 -7.307 1.00 0.00 O ATOM 0 H SER B 41 -9.106 -4.308 -7.051 1.00 0.00 H new ATOM 0 HA SER B 41 -8.455 -2.093 -5.375 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.997 -3.396 -6.997 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.896 -2.710 -8.336 1.00 0.00 H new ATOM 0 HG SER B 41 -5.940 -1.536 -7.899 1.00 0.00 H new ATOM 1583 N ALA B 42 -10.311 -1.198 -7.944 1.00 0.00 N ATOM 1584 CA ALA B 42 -11.161 -0.052 -8.423 1.00 0.00 C ATOM 1585 C ALA B 42 -12.173 0.294 -7.323 1.00 0.00 C ATOM 1586 O ALA B 42 -12.323 1.438 -6.939 1.00 0.00 O ATOM 1587 CB ALA B 42 -11.895 -0.578 -9.662 1.00 0.00 C ATOM 0 H ALA B 42 -10.376 -2.046 -8.507 1.00 0.00 H new ATOM 0 HA ALA B 42 -10.579 0.840 -8.653 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -12.535 0.206 -10.066 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -11.167 -0.877 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -12.505 -1.438 -9.386 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.824 -0.726 -6.797 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.801 -0.545 -5.686 1.00 0.00 C ATOM 1595 C ASN B 43 -13.085 -0.113 -4.387 1.00 0.00 C ATOM 1596 O ASN B 43 -13.672 0.558 -3.567 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.463 -1.918 -5.514 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.528 -2.123 -6.598 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.304 -2.835 -7.556 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.686 -1.525 -6.490 1.00 0.00 N ATOM 0 H ASN B 43 -12.710 -1.692 -7.104 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.529 0.236 -5.906 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -13.711 -2.705 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -14.918 -1.991 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.397 -1.657 -7.209 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.878 -0.926 -5.687 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.825 -0.494 -4.200 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.067 -0.105 -2.959 1.00 0.00 C ATOM 1609 C LEU B 44 -10.741 1.379 -2.986 1.00 0.00 C ATOM 1610 O LEU B 44 -11.036 2.101 -2.056 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.798 -0.952 -2.992 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.069 -2.249 -2.248 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.223 -3.380 -2.837 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.722 -2.024 -0.779 1.00 0.00 C ATOM 0 H LEU B 44 -11.294 -1.060 -4.862 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.639 -0.277 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.507 -1.159 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.971 -0.414 -2.529 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.116 -2.535 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.425 -4.305 -2.297 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.474 -3.512 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.166 -3.130 -2.745 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.906 -2.940 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.671 -1.750 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.341 -1.221 -0.378 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.182 1.829 -4.074 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.877 3.283 -4.248 1.00 0.00 C ATOM 1628 C LEU B 45 -11.187 4.066 -4.148 1.00 0.00 C ATOM 1629 O LEU B 45 -11.254 5.093 -3.499 1.00 0.00 O ATOM 1630 CB LEU B 45 -9.296 3.425 -5.655 1.00 0.00 C ATOM 1631 CG LEU B 45 -9.039 4.905 -5.929 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.657 5.275 -5.419 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -9.158 5.177 -7.429 1.00 0.00 C ATOM 0 H LEU B 45 -9.918 1.243 -4.866 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.183 3.657 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.369 2.858 -5.740 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.988 3.018 -6.393 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.778 5.515 -5.410 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.469 6.331 -5.612 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.602 5.087 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.907 4.673 -5.932 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -8.974 6.234 -7.623 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.424 4.577 -7.967 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -10.160 4.915 -7.768 1.00 0.00 H new ATOM 1645 N ALA B 46 -12.233 3.555 -4.774 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.563 4.220 -4.700 1.00 0.00 C ATOM 1647 C ALA B 46 -14.019 4.222 -3.234 1.00 0.00 C ATOM 1648 O ALA B 46 -14.477 5.220 -2.728 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.495 3.353 -5.539 1.00 0.00 C ATOM 0 H ALA B 46 -12.211 2.702 -5.332 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.548 5.249 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.497 3.782 -5.531 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -14.127 3.310 -6.564 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.528 2.346 -5.123 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.841 3.097 -2.548 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.199 2.993 -1.097 1.00 0.00 C ATOM 1657 C GLU B 47 -13.384 4.025 -0.301 1.00 0.00 C ATOM 1658 O GLU B 47 -13.885 4.635 0.608 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.798 1.565 -0.679 1.00 0.00 C ATOM 1660 CG GLU B 47 -14.327 1.251 0.733 1.00 0.00 C ATOM 1661 CD GLU B 47 -13.852 -0.140 1.223 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -13.037 -0.774 0.555 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -14.313 -0.547 2.274 1.00 0.00 O ATOM 0 H GLU B 47 -13.457 2.241 -2.949 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.256 3.184 -0.913 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.198 0.845 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -12.713 1.465 -0.698 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -13.987 2.018 1.429 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.416 1.284 0.730 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.133 4.226 -0.675 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.258 5.226 0.022 1.00 0.00 C ATOM 1672 C ALA B 48 -11.802 6.644 -0.217 1.00 0.00 C ATOM 1673 O ALA B 48 -12.064 7.372 0.722 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.851 5.058 -0.605 1.00 0.00 C ATOM 0 H ALA B 48 -11.680 3.731 -1.443 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.228 5.071 1.100 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.159 5.761 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.499 4.040 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.904 5.255 -1.676 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.993 7.021 -1.469 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.532 8.389 -1.802 1.00 0.00 C ATOM 1682 C LYS B 49 -13.961 8.573 -1.255 1.00 0.00 C ATOM 1683 O LYS B 49 -14.259 9.579 -0.648 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.519 8.474 -3.337 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.072 8.434 -3.848 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.049 8.597 -5.372 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.630 8.327 -5.902 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.913 9.637 -5.847 1.00 0.00 N ATOM 0 H LYS B 49 -11.797 6.434 -2.280 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.929 9.176 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.087 7.646 -3.761 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.004 9.394 -3.664 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.490 9.228 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.605 7.490 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.757 7.907 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.364 9.604 -5.644 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.122 7.579 -5.294 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.661 7.942 -6.921 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.952 9.523 -6.228 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.429 10.339 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.858 9.962 -4.861 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.839 7.609 -1.456 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.252 7.728 -0.929 1.00 0.00 C ATOM 1704 C LYS B 50 -16.252 7.790 0.610 1.00 0.00 C ATOM 1705 O LYS B 50 -16.993 8.557 1.197 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.998 6.476 -1.419 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.197 6.552 -2.938 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.967 5.317 -3.416 1.00 0.00 C ATOM 1709 CE LYS B 50 -18.044 5.313 -4.951 1.00 0.00 C ATOM 1710 NZ LYS B 50 -19.315 6.020 -5.295 1.00 0.00 N ATOM 0 H LYS B 50 -14.641 6.745 -1.961 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.732 8.640 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.433 5.580 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.964 6.398 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.744 7.458 -3.199 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.231 6.608 -3.440 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.473 4.411 -3.065 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.971 5.317 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -17.184 5.820 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -18.045 4.295 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -19.426 6.051 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -20.119 5.512 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -19.285 6.990 -4.921 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.410 6.999 1.259 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.332 7.017 2.760 1.00 0.00 C ATOM 1726 C LEU B 51 -14.796 8.382 3.241 1.00 0.00 C ATOM 1727 O LEU B 51 -15.277 8.919 4.227 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.378 5.856 3.124 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.531 5.448 4.598 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -13.675 4.206 4.878 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.110 6.586 5.529 1.00 0.00 C ATOM 0 H LEU B 51 -14.774 6.342 0.807 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.302 6.888 3.240 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.585 4.998 2.484 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.348 6.156 2.933 1.00 0.00 H new ATOM 0 HG LEU B 51 -15.581 5.223 4.787 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -13.784 3.917 5.923 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -14.003 3.386 4.239 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -12.629 4.431 4.671 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -14.228 6.271 6.566 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.066 6.840 5.344 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -14.735 7.459 5.342 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.832 8.963 2.536 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.285 10.311 2.931 1.00 0.00 C ATOM 1745 C ASN B 52 -14.430 11.347 3.021 1.00 0.00 C ATOM 1746 O ASN B 52 -14.392 12.249 3.833 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.222 10.643 1.832 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.623 11.750 0.813 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.754 11.906 0.426 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.699 12.517 0.322 1.00 0.00 N ATOM 0 H ASN B 52 -13.404 8.556 1.704 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.823 10.324 3.918 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.299 10.948 2.326 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.001 9.730 1.279 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.940 13.226 -0.370 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.732 12.411 0.628 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.444 11.206 2.183 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.591 12.164 2.186 1.00 0.00 C ATOM 1759 C ASP B 53 -17.406 12.055 3.488 1.00 0.00 C ATOM 1760 O ASP B 53 -17.961 13.035 3.953 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.461 11.765 0.988 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.427 12.905 0.645 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.015 13.812 -0.060 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.559 12.852 1.095 1.00 0.00 O ATOM 0 H ASP B 53 -15.518 10.458 1.494 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.242 13.195 2.120 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.830 11.539 0.128 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.021 10.859 1.219 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.483 10.867 4.068 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.265 10.680 5.338 1.00 0.00 C ATOM 1771 C ALA B 54 -17.637 11.481 6.494 1.00 0.00 C ATOM 1772 O ALA B 54 -18.340 12.000 7.343 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.202 9.175 5.614 1.00 0.00 C ATOM 0 H ALA B 54 -17.036 10.022 3.712 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.291 11.038 5.247 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.751 8.950 6.528 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.648 8.633 4.780 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.162 8.870 5.730 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.323 11.592 6.517 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.622 12.368 7.592 1.00 0.00 C ATOM 1781 C GLN B 55 -15.508 13.852 7.206 1.00 0.00 C ATOM 1782 O GLN B 55 -15.615 14.721 8.054 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.240 11.717 7.689 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.351 10.398 8.460 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.079 9.583 8.247 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.459 9.139 9.192 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.657 9.372 7.035 1.00 0.00 N ATOM 0 H GLN B 55 -15.702 11.171 5.826 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.157 12.344 8.541 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.841 11.535 6.691 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.544 12.388 8.193 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.497 10.595 9.522 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.219 9.835 8.118 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.178 9.745 6.241 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.805 8.833 6.878 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.277 14.140 5.938 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.135 15.562 5.481 1.00 0.00 C ATOM 1798 C ALA B 56 -15.730 15.753 4.073 1.00 0.00 C ATOM 1799 O ALA B 56 -15.774 14.820 3.301 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.629 15.788 5.450 1.00 0.00 C ATOM 0 H ALA B 56 -15.181 13.443 5.199 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.660 16.261 6.132 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.421 16.807 5.125 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.217 15.634 6.447 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.170 15.085 4.755 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.160 16.970 3.776 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.747 17.270 2.439 1.00 0.00 C ATOM 1808 C PRO B 57 -15.648 17.348 1.362 1.00 0.00 C ATOM 1809 O PRO B 57 -14.523 17.737 1.637 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.413 18.629 2.634 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.675 19.269 3.767 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.136 18.162 4.638 1.00 0.00 C ATOM 0 HA PRO B 57 -17.443 16.502 2.101 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.346 19.233 1.729 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -18.472 18.519 2.866 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -15.863 19.892 3.393 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.338 19.919 4.339 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.125 18.383 4.981 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -16.751 18.021 5.527 1.00 0.00 H new ATOM 1820 N LYS B 58 -15.977 16.991 0.139 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.969 17.050 -0.977 1.00 0.00 C ATOM 1822 C LYS B 58 -14.890 18.475 -1.557 1.00 0.00 C ATOM 1823 O LYS B 58 -15.928 19.024 -1.907 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.460 16.055 -2.041 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.208 14.620 -1.568 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.653 13.641 -2.660 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.389 12.198 -2.205 1.00 0.00 C ATOM 1828 NZ LYS B 58 -13.969 11.914 -2.579 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.789 18.992 -1.639 1.00 0.00 O ATOM 0 H LYS B 58 -16.902 16.660 -0.136 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.968 16.795 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.523 16.204 -2.228 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.943 16.233 -2.984 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.150 14.479 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.756 14.427 -0.646 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.713 13.777 -2.872 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -15.114 13.845 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.541 12.091 -1.131 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -16.070 11.502 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -13.617 11.111 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -13.917 11.680 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -13.385 12.753 -2.387 1.00 0.00 H new TER 1843 LYS B 58