USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=24 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 23 ASN : amide:sc= -1.06 K(o=-4.6,f=-24!) USER MOD Set 1.2: B 26 GLN : amide:sc= -4.3! C(o=-4.6!,f=-14!) USER MOD Set 1.3: B 55 GLN :FLIP amide:sc= 0.752 F(o=-7.3,f=-4.6) USER MOD Set 2.1: B 21 ASN : amide:sc= -2.11! C(o=-9.2!,f=-11!) USER MOD Set 2.2: B 52 ASN : amide:sc= -7.1! C(o=-9.2!,f=-16!) USER MOD Set 3.1: A 28 ASN : amide:sc= -4.83! C(o=-5!,f=-5.8!) USER MOD Set 3.2: B 10 SER OG : rot -170:sc= -0.154 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.616 K(o=-1.4,f=-2.1) USER MOD Set 4.2: A 52 ASN :FLIP amide:sc= -0.76! C(o=-1.9!,f=-1.4!) USER MOD Set 5.1: A 23 ASN : amide:sc= -0.256 K(o=-0.095,f=-4.7!) USER MOD Set 5.2: A 26 GLN : amide:sc= 0.558 K(o=-0.095,f=-9!) USER MOD Set 5.3: A 55 GLN : amide:sc= -0.397 K(o=-0.095,f=-3!) USER MOD Set 6.1: A 14 TYR OH : rot -78:sc= 0.252 USER MOD Set 6.2: A 18 HIS :FLIP no HE2:sc= -20.8! C(o=-23!,f=-21!) USER MOD Set 7.1: A 3 ASN : amide:sc= 0 X(o=-0.082,f=-0.2) USER MOD Set 7.2: A 6 ASN : amide:sc= -0.0823 X(o=-0.082,f=-0.2) USER MOD Single : A 1 VAL N :NH3+ -156:sc= -0.0576 (180deg=-0.659) USER MOD Single : A 4 LYS NZ :NH3+ -156:sc= -0.17 (180deg=-0.976) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.9) USER MOD Single : A 10 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.6) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.627 K(o=-0.63,f=-4.8!) USER MOD Single : A 33 SER OG : rot 22:sc= 0.123 USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 2.02 (180deg=1.93) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 41 SER OG : rot -95:sc= 0.821 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 147:sc= 0.148 (180deg=0.094) USER MOD Single : B 1 VAL N :NH3+ -159:sc= -0.0551 (180deg=-0.606) USER MOD Single : B 3 ASN : amide:sc= -0.088 K(o=-0.088,f=-3.8!) USER MOD Single : B 4 LYS NZ :NH3+ 164:sc= 0.165 (180deg=0.0921) USER MOD Single : B 6 ASN : amide:sc= -2.72! X(o=-2.7!,f=-2.2) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 THR OG1 : rot -47:sc= 0.508 USER MOD Single : B 27 LYS NZ :NH3+ -169:sc= 0.0462 (180deg=0.00578) USER MOD Single : B 28 LYS NZ :NH3+ -110:sc= 0.311 (180deg=-0.112) USER MOD Single : B 33 SER OG : rot -35:sc= -0.274 USER MOD Single : B 39 SER OG : rot 93:sc= 0.073 USER MOD Single : B 40 GLN :FLIP amide:sc= -0.706 F(o=-1.3,f=-0.71) USER MOD Single : B 41 SER OG : rot -97:sc= -2.82 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 173:sc= 0.175 (180deg=0.15) USER MOD Single : B 50 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000389) USER MOD Single : B 58 LYS NZ :NH3+ -162:sc= -0.461 (180deg=-0.476) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.407 -15.997 16.053 1.00 0.00 N ATOM 2 CA VAL A 1 3.768 -16.633 15.993 1.00 0.00 C ATOM 3 C VAL A 1 3.922 -17.408 14.670 1.00 0.00 C ATOM 4 O VAL A 1 4.782 -17.093 13.865 1.00 0.00 O ATOM 5 CB VAL A 1 3.854 -17.578 17.217 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.151 -18.397 17.161 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.844 -16.757 18.515 1.00 0.00 C ATOM 0 H1 VAL A 1 2.434 -15.180 16.696 1.00 0.00 H new ATOM 0 H2 VAL A 1 2.130 -15.680 15.102 1.00 0.00 H new ATOM 0 H3 VAL A 1 1.715 -16.690 16.403 1.00 0.00 H new ATOM 0 HA VAL A 1 4.570 -15.895 16.023 1.00 0.00 H new ATOM 0 HB VAL A 1 2.995 -18.249 17.197 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.201 -19.058 18.026 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.166 -18.992 16.248 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.008 -17.723 17.169 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.905 -17.429 19.371 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.698 -16.080 18.524 1.00 0.00 H new ATOM 0 HG23 VAL A 1 2.922 -16.179 18.573 1.00 0.00 H new ATOM 19 N ASP A 2 3.088 -18.411 14.442 1.00 0.00 N ATOM 20 CA ASP A 2 3.167 -19.213 13.166 1.00 0.00 C ATOM 21 C ASP A 2 2.831 -18.333 11.937 1.00 0.00 C ATOM 22 O ASP A 2 3.371 -18.540 10.865 1.00 0.00 O ATOM 23 CB ASP A 2 2.159 -20.376 13.328 1.00 0.00 C ATOM 24 CG ASP A 2 0.703 -19.877 13.250 1.00 0.00 C ATOM 25 OD1 ASP A 2 0.270 -19.197 14.170 1.00 0.00 O ATOM 26 OD2 ASP A 2 0.047 -20.192 12.272 1.00 0.00 O ATOM 0 H ASP A 2 2.356 -18.707 15.087 1.00 0.00 H new ATOM 0 HA ASP A 2 4.174 -19.594 12.995 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.332 -21.120 12.550 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.324 -20.871 14.285 1.00 0.00 H new ATOM 31 N ASN A 3 1.953 -17.353 12.093 1.00 0.00 N ATOM 32 CA ASN A 3 1.590 -16.455 10.946 1.00 0.00 C ATOM 33 C ASN A 3 2.433 -15.175 10.998 1.00 0.00 C ATOM 34 O ASN A 3 2.535 -14.528 12.028 1.00 0.00 O ATOM 35 CB ASN A 3 0.098 -16.122 11.124 1.00 0.00 C ATOM 36 CG ASN A 3 -0.758 -17.384 10.941 1.00 0.00 C ATOM 37 OD1 ASN A 3 -0.609 -18.100 9.969 1.00 0.00 O ATOM 38 ND2 ASN A 3 -1.656 -17.689 11.839 1.00 0.00 N ATOM 0 H ASN A 3 1.475 -17.142 12.969 1.00 0.00 H new ATOM 0 HA ASN A 3 1.777 -16.932 9.984 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.071 -15.701 12.115 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.201 -15.364 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.229 -18.525 11.724 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.784 -17.091 12.656 1.00 0.00 H new ATOM 45 N LYS A 4 3.029 -14.805 9.884 1.00 0.00 N ATOM 46 CA LYS A 4 3.870 -13.556 9.827 1.00 0.00 C ATOM 47 C LYS A 4 3.698 -12.881 8.460 1.00 0.00 C ATOM 48 O LYS A 4 3.235 -11.761 8.373 1.00 0.00 O ATOM 49 CB LYS A 4 5.376 -13.931 10.033 1.00 0.00 C ATOM 50 CG LYS A 4 5.648 -15.444 10.229 1.00 0.00 C ATOM 51 CD LYS A 4 5.534 -16.202 8.916 1.00 0.00 C ATOM 52 CE LYS A 4 6.034 -17.650 9.085 1.00 0.00 C ATOM 53 NZ LYS A 4 7.493 -17.565 9.428 1.00 0.00 N ATOM 0 H LYS A 4 2.969 -15.318 9.004 1.00 0.00 H new ATOM 0 HA LYS A 4 3.552 -12.871 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.944 -13.583 9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.754 -13.393 10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.645 -15.585 10.647 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.939 -15.852 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.497 -16.206 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.117 -15.697 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.480 -18.161 9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.884 -18.221 8.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.965 -18.452 9.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.926 -16.773 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.601 -17.410 10.451 1.00 0.00 H new ATOM 67 N PHE A 5 4.074 -13.573 7.399 1.00 0.00 N ATOM 68 CA PHE A 5 3.963 -13.016 6.007 1.00 0.00 C ATOM 69 C PHE A 5 2.506 -12.664 5.664 1.00 0.00 C ATOM 70 O PHE A 5 2.268 -11.791 4.853 1.00 0.00 O ATOM 71 CB PHE A 5 4.500 -14.110 5.057 1.00 0.00 C ATOM 72 CG PHE A 5 5.906 -14.508 5.468 1.00 0.00 C ATOM 73 CD1 PHE A 5 6.956 -13.584 5.400 1.00 0.00 C ATOM 74 CD2 PHE A 5 6.149 -15.799 5.948 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.240 -13.955 5.818 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.431 -16.169 6.354 1.00 0.00 C ATOM 77 CZ PHE A 5 8.474 -15.250 6.292 1.00 0.00 C ATOM 0 H PHE A 5 4.459 -14.516 7.444 1.00 0.00 H new ATOM 0 HA PHE A 5 4.535 -12.093 5.911 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.844 -14.980 5.083 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.502 -13.743 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.776 -12.587 5.026 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.340 -16.513 6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.049 -13.241 5.774 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.614 -17.170 6.717 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.465 -15.537 6.610 1.00 0.00 H new ATOM 87 N ASN A 6 1.534 -13.332 6.283 1.00 0.00 N ATOM 88 CA ASN A 6 0.083 -13.031 6.000 1.00 0.00 C ATOM 89 C ASN A 6 -0.172 -11.517 6.120 1.00 0.00 C ATOM 90 O ASN A 6 -0.664 -10.909 5.197 1.00 0.00 O ATOM 91 CB ASN A 6 -0.724 -13.796 7.066 1.00 0.00 C ATOM 92 CG ASN A 6 -0.530 -15.312 6.898 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.120 -15.941 7.707 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.074 -15.926 5.880 1.00 0.00 N ATOM 0 H ASN A 6 1.691 -14.070 6.969 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.203 -13.333 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.405 -13.490 8.062 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.781 -13.546 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.952 -16.932 5.767 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.621 -15.399 5.199 1.00 0.00 H new ATOM 101 N LYS A 7 0.198 -10.907 7.236 1.00 0.00 N ATOM 102 CA LYS A 7 0.022 -9.422 7.387 1.00 0.00 C ATOM 103 C LYS A 7 1.304 -8.650 7.018 1.00 0.00 C ATOM 104 O LYS A 7 1.217 -7.519 6.601 1.00 0.00 O ATOM 105 CB LYS A 7 -0.357 -9.173 8.842 1.00 0.00 C ATOM 106 CG LYS A 7 -0.351 -7.670 9.123 1.00 0.00 C ATOM 107 CD LYS A 7 -0.671 -7.436 10.583 1.00 0.00 C ATOM 108 CE LYS A 7 -0.462 -5.955 10.929 1.00 0.00 C ATOM 109 NZ LYS A 7 -0.488 -5.885 12.421 1.00 0.00 N ATOM 0 H LYS A 7 0.612 -11.376 8.042 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.752 -9.064 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.344 -9.588 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.346 -9.680 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.623 -7.246 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.084 -7.167 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.701 -7.726 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.033 -8.059 11.209 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.487 -5.590 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.246 -5.336 10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.351 -4.900 12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.405 -6.230 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.274 -6.476 12.810 1.00 0.00 H new ATOM 123 N GLU A 8 2.484 -9.235 7.180 1.00 0.00 N ATOM 124 CA GLU A 8 3.760 -8.506 6.838 1.00 0.00 C ATOM 125 C GLU A 8 3.700 -7.993 5.412 1.00 0.00 C ATOM 126 O GLU A 8 4.178 -6.920 5.133 1.00 0.00 O ATOM 127 CB GLU A 8 4.911 -9.511 6.971 1.00 0.00 C ATOM 128 CG GLU A 8 5.373 -9.611 8.428 1.00 0.00 C ATOM 129 CD GLU A 8 5.854 -8.240 8.935 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.793 -7.706 8.360 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.268 -7.745 9.884 1.00 0.00 O ATOM 0 H GLU A 8 2.614 -10.183 7.533 1.00 0.00 H new ATOM 0 HA GLU A 8 3.903 -7.655 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.588 -10.491 6.618 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.745 -9.203 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.554 -9.969 9.052 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.179 -10.340 8.511 1.00 0.00 H new ATOM 138 N GLN A 9 3.091 -8.742 4.518 1.00 0.00 N ATOM 139 CA GLN A 9 2.970 -8.278 3.118 1.00 0.00 C ATOM 140 C GLN A 9 2.086 -7.018 3.065 1.00 0.00 C ATOM 141 O GLN A 9 2.421 -6.079 2.388 1.00 0.00 O ATOM 142 CB GLN A 9 2.334 -9.413 2.324 1.00 0.00 C ATOM 143 CG GLN A 9 3.291 -10.600 2.201 1.00 0.00 C ATOM 144 CD GLN A 9 2.607 -11.702 1.388 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.562 -11.637 0.176 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.061 -12.717 2.006 1.00 0.00 N ATOM 0 H GLN A 9 2.676 -9.654 4.710 1.00 0.00 H new ATOM 0 HA GLN A 9 3.943 -8.021 2.700 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.414 -9.732 2.813 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.060 -9.058 1.331 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.216 -10.290 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.560 -10.972 3.190 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.097 -12.774 3.024 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.599 -13.452 1.470 1.00 0.00 H new ATOM 155 N GLN A 10 0.988 -6.980 3.814 1.00 0.00 N ATOM 156 CA GLN A 10 0.124 -5.731 3.838 1.00 0.00 C ATOM 157 C GLN A 10 0.793 -4.663 4.683 1.00 0.00 C ATOM 158 O GLN A 10 0.743 -3.516 4.330 1.00 0.00 O ATOM 159 CB GLN A 10 -1.289 -6.000 4.399 1.00 0.00 C ATOM 160 CG GLN A 10 -1.539 -7.416 4.921 1.00 0.00 C ATOM 161 CD GLN A 10 -1.850 -8.353 3.758 1.00 0.00 C ATOM 162 OE1 GLN A 10 -0.999 -9.103 3.329 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.038 -8.339 3.216 1.00 0.00 N ATOM 0 H GLN A 10 0.658 -7.747 4.400 1.00 0.00 H new ATOM 0 HA GLN A 10 0.016 -5.397 2.806 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.478 -5.296 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.017 -5.788 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.663 -7.773 5.462 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.369 -7.411 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.755 -7.709 3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.249 -8.958 2.433 1.00 0.00 H new ATOM 172 N ASN A 11 1.429 -5.016 5.785 1.00 0.00 N ATOM 173 CA ASN A 11 2.118 -3.972 6.606 1.00 0.00 C ATOM 174 C ASN A 11 3.262 -3.391 5.770 1.00 0.00 C ATOM 175 O ASN A 11 3.429 -2.198 5.704 1.00 0.00 O ATOM 176 CB ASN A 11 2.663 -4.679 7.854 1.00 0.00 C ATOM 177 CG ASN A 11 2.930 -3.640 8.948 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.018 -3.215 9.629 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.146 -3.202 9.141 1.00 0.00 N ATOM 0 H ASN A 11 1.497 -5.969 6.142 1.00 0.00 H new ATOM 0 HA ASN A 11 1.450 -3.162 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.947 -5.421 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.582 -5.213 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.328 -2.504 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.913 -3.558 8.570 1.00 0.00 H new ATOM 186 N ALA A 12 4.010 -4.241 5.089 1.00 0.00 N ATOM 187 CA ALA A 12 5.109 -3.756 4.199 1.00 0.00 C ATOM 188 C ALA A 12 4.500 -3.002 3.020 1.00 0.00 C ATOM 189 O ALA A 12 4.929 -1.917 2.701 1.00 0.00 O ATOM 190 CB ALA A 12 5.839 -5.003 3.702 1.00 0.00 C ATOM 0 H ALA A 12 3.899 -5.255 5.117 1.00 0.00 H new ATOM 0 HA ALA A 12 5.791 -3.085 4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.656 -4.708 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.239 -5.554 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.143 -5.638 3.154 1.00 0.00 H new ATOM 196 N PHE A 13 3.470 -3.568 2.404 1.00 0.00 N ATOM 197 CA PHE A 13 2.769 -2.887 1.262 1.00 0.00 C ATOM 198 C PHE A 13 2.301 -1.511 1.742 1.00 0.00 C ATOM 199 O PHE A 13 2.630 -0.496 1.162 1.00 0.00 O ATOM 200 CB PHE A 13 1.553 -3.800 0.933 1.00 0.00 C ATOM 201 CG PHE A 13 0.591 -3.101 0.014 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.054 -2.467 -1.138 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.775 -3.132 0.295 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.153 -1.866 -2.002 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.677 -2.523 -0.567 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.214 -1.895 -1.711 1.00 0.00 C ATOM 0 H PHE A 13 3.088 -4.481 2.651 1.00 0.00 H new ATOM 0 HA PHE A 13 3.401 -2.744 0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.901 -4.723 0.468 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.043 -4.080 1.855 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.111 -2.444 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.131 -3.630 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.506 -1.377 -2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.734 -2.539 -0.346 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.915 -1.424 -2.384 1.00 0.00 H new ATOM 216 N TYR A 14 1.561 -1.508 2.822 1.00 0.00 N ATOM 217 CA TYR A 14 1.041 -0.255 3.428 1.00 0.00 C ATOM 218 C TYR A 14 2.181 0.712 3.758 1.00 0.00 C ATOM 219 O TYR A 14 2.163 1.842 3.331 1.00 0.00 O ATOM 220 CB TYR A 14 0.390 -0.703 4.718 1.00 0.00 C ATOM 221 CG TYR A 14 -0.305 0.460 5.342 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.574 0.800 4.906 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.301 1.175 6.378 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.244 1.830 5.478 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.375 2.244 6.961 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.655 2.577 6.513 1.00 0.00 C ATOM 227 OH TYR A 14 -2.335 3.635 7.093 1.00 0.00 O ATOM 0 H TYR A 14 1.290 -2.355 3.322 1.00 0.00 H new ATOM 0 HA TYR A 14 0.361 0.264 2.752 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.321 -1.505 4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.141 -1.102 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.033 0.241 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.287 0.901 6.724 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.238 2.079 5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.088 2.812 7.755 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.287 4.417 6.504 1.00 0.00 H new ATOM 237 N GLU A 15 3.172 0.262 4.511 1.00 0.00 N ATOM 238 CA GLU A 15 4.314 1.164 4.867 1.00 0.00 C ATOM 239 C GLU A 15 4.979 1.662 3.586 1.00 0.00 C ATOM 240 O GLU A 15 5.264 2.830 3.480 1.00 0.00 O ATOM 241 CB GLU A 15 5.279 0.334 5.723 1.00 0.00 C ATOM 242 CG GLU A 15 4.674 0.055 7.119 1.00 0.00 C ATOM 243 CD GLU A 15 4.382 1.372 7.853 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.313 2.130 8.081 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.225 1.601 8.171 1.00 0.00 O ATOM 0 H GLU A 15 3.233 -0.684 4.888 1.00 0.00 H new ATOM 0 HA GLU A 15 3.989 2.042 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.498 -0.609 5.222 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.225 0.865 5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.755 -0.521 7.015 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.365 -0.550 7.707 1.00 0.00 H new ATOM 252 N ILE A 16 5.161 0.807 2.583 1.00 0.00 N ATOM 253 CA ILE A 16 5.739 1.289 1.276 1.00 0.00 C ATOM 254 C ILE A 16 4.873 2.457 0.753 1.00 0.00 C ATOM 255 O ILE A 16 5.383 3.525 0.466 1.00 0.00 O ATOM 256 CB ILE A 16 5.723 0.052 0.336 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.052 -0.695 0.521 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.556 0.452 -1.140 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.829 -2.199 0.447 1.00 0.00 C ATOM 0 H ILE A 16 4.936 -0.187 2.618 1.00 0.00 H new ATOM 0 HA ILE A 16 6.756 1.673 1.358 1.00 0.00 H new ATOM 0 HB ILE A 16 4.873 -0.579 0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.760 -0.387 -0.249 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.493 -0.433 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.550 -0.444 -1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.616 0.988 -1.267 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.384 1.095 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.780 -2.715 0.580 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.138 -2.503 1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.409 -2.457 -0.525 1.00 0.00 H new ATOM 271 N LEU A 17 3.565 2.260 0.674 1.00 0.00 N ATOM 272 CA LEU A 17 2.630 3.363 0.205 1.00 0.00 C ATOM 273 C LEU A 17 2.636 4.570 1.178 1.00 0.00 C ATOM 274 O LEU A 17 2.544 5.708 0.751 1.00 0.00 O ATOM 275 CB LEU A 17 1.214 2.765 0.188 1.00 0.00 C ATOM 276 CG LEU A 17 1.127 1.600 -0.800 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.381 0.452 -0.176 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.340 1.976 -2.028 1.00 0.00 C ATOM 0 H LEU A 17 3.102 1.383 0.914 1.00 0.00 H new ATOM 0 HA LEU A 17 2.950 3.719 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.948 2.421 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.493 3.535 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 17 2.152 1.336 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.323 -0.373 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.905 0.123 0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.626 0.774 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.298 1.125 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.672 2.259 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.823 2.816 -2.527 1.00 0.00 H new ATOM 290 N HIS A 18 2.713 4.314 2.473 1.00 0.00 N ATOM 291 CA HIS A 18 2.687 5.419 3.501 1.00 0.00 C ATOM 292 C HIS A 18 4.096 5.983 3.820 1.00 0.00 C ATOM 293 O HIS A 18 4.209 6.892 4.627 1.00 0.00 O ATOM 294 CB HIS A 18 2.066 4.783 4.767 1.00 0.00 C ATOM 295 CG HIS A 18 0.576 4.587 4.585 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.157 3.594 3.981 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.364 5.506 5.036 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.496 3.907 4.035 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.581 5.038 4.685 1.00 0.00 N flip ATOM 0 H HIS A 18 2.794 3.376 2.865 1.00 0.00 H new ATOM 0 HA HIS A 18 2.116 6.269 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.543 3.824 4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.252 5.421 5.631 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.232 2.752 3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.159 6.423 5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.313 3.333 3.623 1.00 0.00 H new ATOM 307 N LEU A 19 5.167 5.475 3.212 1.00 0.00 N ATOM 308 CA LEU A 19 6.540 6.023 3.517 1.00 0.00 C ATOM 309 C LEU A 19 6.654 7.457 2.955 1.00 0.00 C ATOM 310 O LEU A 19 6.379 7.681 1.787 1.00 0.00 O ATOM 311 CB LEU A 19 7.559 5.070 2.852 1.00 0.00 C ATOM 312 CG LEU A 19 8.000 3.979 3.851 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.873 2.936 3.142 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.796 4.604 5.005 1.00 0.00 C ATOM 0 H LEU A 19 5.144 4.717 2.530 1.00 0.00 H new ATOM 0 HA LEU A 19 6.730 6.078 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.114 4.608 1.971 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.427 5.634 2.512 1.00 0.00 H new ATOM 0 HG LEU A 19 7.107 3.496 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.178 2.171 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.304 2.473 2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.758 3.422 2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.101 3.823 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.681 5.102 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.173 5.331 5.525 1.00 0.00 H new ATOM 326 N PRO A 20 7.016 8.394 3.825 1.00 0.00 N ATOM 327 CA PRO A 20 7.114 9.837 3.431 1.00 0.00 C ATOM 328 C PRO A 20 8.236 10.148 2.413 1.00 0.00 C ATOM 329 O PRO A 20 8.204 11.203 1.801 1.00 0.00 O ATOM 330 CB PRO A 20 7.375 10.554 4.756 1.00 0.00 C ATOM 331 CG PRO A 20 7.990 9.521 5.637 1.00 0.00 C ATOM 332 CD PRO A 20 7.373 8.208 5.244 1.00 0.00 C ATOM 0 HA PRO A 20 6.207 10.156 2.917 1.00 0.00 H new ATOM 0 HB2 PRO A 20 8.042 11.405 4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.450 10.940 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.072 9.496 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.798 9.742 6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.073 7.383 5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.496 7.981 5.850 1.00 0.00 H new ATOM 340 N ASN A 21 9.217 9.278 2.218 1.00 0.00 N ATOM 341 CA ASN A 21 10.306 9.602 1.233 1.00 0.00 C ATOM 342 C ASN A 21 10.362 8.585 0.076 1.00 0.00 C ATOM 343 O ASN A 21 11.316 8.579 -0.687 1.00 0.00 O ATOM 344 CB ASN A 21 11.600 9.606 2.052 1.00 0.00 C ATOM 345 CG ASN A 21 11.607 10.829 2.980 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.714 11.950 2.524 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.492 10.663 4.270 1.00 0.00 N ATOM 0 H ASN A 21 9.306 8.378 2.690 1.00 0.00 H new ATOM 0 HA ASN A 21 10.133 10.563 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.677 8.690 2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.464 9.633 1.388 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.492 11.473 4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.402 9.724 4.657 1.00 0.00 H new ATOM 354 N LEU A 22 9.336 7.763 -0.099 1.00 0.00 N ATOM 355 CA LEU A 22 9.335 6.802 -1.245 1.00 0.00 C ATOM 356 C LEU A 22 8.656 7.451 -2.447 1.00 0.00 C ATOM 357 O LEU A 22 7.679 8.169 -2.312 1.00 0.00 O ATOM 358 CB LEU A 22 8.553 5.543 -0.804 1.00 0.00 C ATOM 359 CG LEU A 22 9.436 4.568 0.011 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.898 3.145 -0.147 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.879 4.581 -0.489 1.00 0.00 C ATOM 0 H LEU A 22 8.512 7.724 0.501 1.00 0.00 H new ATOM 0 HA LEU A 22 10.352 6.530 -1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.694 5.842 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.164 5.031 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 22 9.412 4.886 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.518 2.456 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.872 3.101 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.919 2.863 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.475 3.886 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.904 4.280 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.289 5.586 -0.391 1.00 0.00 H new ATOM 373 N ASN A 23 9.160 7.180 -3.623 1.00 0.00 N ATOM 374 CA ASN A 23 8.547 7.749 -4.874 1.00 0.00 C ATOM 375 C ASN A 23 7.809 6.645 -5.621 1.00 0.00 C ATOM 376 O ASN A 23 7.756 5.519 -5.173 1.00 0.00 O ATOM 377 CB ASN A 23 9.682 8.342 -5.737 1.00 0.00 C ATOM 378 CG ASN A 23 10.893 7.401 -5.806 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.871 6.428 -6.525 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.948 7.652 -5.079 1.00 0.00 N ATOM 0 H ASN A 23 9.975 6.586 -3.778 1.00 0.00 H new ATOM 0 HA ASN A 23 7.829 8.534 -4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.312 8.533 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.990 9.302 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.754 7.028 -5.117 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.966 8.472 -4.473 1.00 0.00 H new ATOM 387 N GLU A 24 7.226 6.960 -6.748 1.00 0.00 N ATOM 388 CA GLU A 24 6.471 5.911 -7.518 1.00 0.00 C ATOM 389 C GLU A 24 7.417 4.795 -7.991 1.00 0.00 C ATOM 390 O GLU A 24 7.042 3.645 -7.994 1.00 0.00 O ATOM 391 CB GLU A 24 5.807 6.639 -8.700 1.00 0.00 C ATOM 392 CG GLU A 24 4.679 7.556 -8.183 1.00 0.00 C ATOM 393 CD GLU A 24 3.531 6.713 -7.597 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.623 6.342 -6.439 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.582 6.458 -8.317 1.00 0.00 O ATOM 0 H GLU A 24 7.236 7.888 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 24 5.718 5.423 -6.899 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.549 7.228 -9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.403 5.913 -9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.070 8.230 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.304 8.177 -8.997 1.00 0.00 H new ATOM 402 N GLU A 25 8.646 5.112 -8.347 1.00 0.00 N ATOM 403 CA GLU A 25 9.602 4.029 -8.774 1.00 0.00 C ATOM 404 C GLU A 25 9.879 3.083 -7.583 1.00 0.00 C ATOM 405 O GLU A 25 9.854 1.879 -7.733 1.00 0.00 O ATOM 406 CB GLU A 25 10.885 4.756 -9.208 1.00 0.00 C ATOM 407 CG GLU A 25 11.891 3.747 -9.781 1.00 0.00 C ATOM 408 CD GLU A 25 13.234 4.442 -10.035 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.901 4.778 -9.066 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.572 4.628 -11.192 1.00 0.00 O ATOM 0 H GLU A 25 9.025 6.059 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 25 9.203 3.419 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.649 5.512 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.324 5.276 -8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.025 2.918 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.508 3.325 -10.710 1.00 0.00 H new ATOM 417 N GLN A 26 10.125 3.632 -6.408 1.00 0.00 N ATOM 418 CA GLN A 26 10.402 2.787 -5.190 1.00 0.00 C ATOM 419 C GLN A 26 9.109 2.176 -4.617 1.00 0.00 C ATOM 420 O GLN A 26 9.018 0.978 -4.443 1.00 0.00 O ATOM 421 CB GLN A 26 11.050 3.745 -4.174 1.00 0.00 C ATOM 422 CG GLN A 26 12.574 3.570 -4.194 1.00 0.00 C ATOM 423 CD GLN A 26 13.150 4.027 -5.544 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.348 5.202 -5.768 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.428 3.139 -6.459 1.00 0.00 N ATOM 0 H GLN A 26 10.146 4.638 -6.240 1.00 0.00 H new ATOM 0 HA GLN A 26 11.048 1.943 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.790 4.776 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.665 3.544 -3.174 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.023 4.148 -3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.828 2.525 -4.018 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.263 2.149 -6.276 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.810 3.435 -7.357 1.00 0.00 H new ATOM 434 N ARG A 27 8.132 3.002 -4.311 1.00 0.00 N ATOM 435 CA ARG A 27 6.834 2.514 -3.710 1.00 0.00 C ATOM 436 C ARG A 27 6.125 1.470 -4.604 1.00 0.00 C ATOM 437 O ARG A 27 5.694 0.437 -4.129 1.00 0.00 O ATOM 438 CB ARG A 27 5.947 3.766 -3.644 1.00 0.00 C ATOM 439 CG ARG A 27 4.902 3.663 -2.541 1.00 0.00 C ATOM 440 CD ARG A 27 4.655 5.060 -1.941 1.00 0.00 C ATOM 441 NE ARG A 27 4.335 5.954 -3.096 1.00 0.00 N ATOM 442 CZ ARG A 27 4.797 7.184 -3.139 1.00 0.00 C ATOM 443 NH1 ARG A 27 4.793 7.937 -2.060 1.00 0.00 N ATOM 444 NH2 ARG A 27 5.235 7.670 -4.272 1.00 0.00 N ATOM 0 H ARG A 27 8.176 4.011 -4.453 1.00 0.00 H new ATOM 0 HA ARG A 27 7.017 2.036 -2.748 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.570 4.644 -3.473 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.450 3.910 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.973 3.257 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.242 2.976 -1.765 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.833 5.038 -1.226 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.535 5.415 -1.405 1.00 0.00 H new ATOM 0 HE ARG A 27 3.753 5.606 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.430 7.567 -1.182 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.153 8.890 -2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.217 7.095 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.595 8.624 -4.313 1.00 0.00 H new ATOM 458 N ASN A 28 5.978 1.759 -5.888 1.00 0.00 N ATOM 459 CA ASN A 28 5.257 0.811 -6.816 1.00 0.00 C ATOM 460 C ASN A 28 6.103 -0.441 -7.075 1.00 0.00 C ATOM 461 O ASN A 28 5.582 -1.542 -7.066 1.00 0.00 O ATOM 462 CB ASN A 28 5.026 1.565 -8.136 1.00 0.00 C ATOM 463 CG ASN A 28 4.291 2.906 -7.932 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.830 3.232 -6.851 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.163 3.709 -8.954 1.00 0.00 N ATOM 0 H ASN A 28 6.326 2.609 -6.331 1.00 0.00 H new ATOM 0 HA ASN A 28 4.315 0.488 -6.374 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.986 1.751 -8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.447 0.937 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.680 4.601 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.546 3.444 -9.862 1.00 0.00 H new ATOM 472 N ALA A 29 7.406 -0.283 -7.286 1.00 0.00 N ATOM 473 CA ALA A 29 8.292 -1.481 -7.521 1.00 0.00 C ATOM 474 C ALA A 29 8.225 -2.416 -6.322 1.00 0.00 C ATOM 475 O ALA A 29 8.236 -3.623 -6.467 1.00 0.00 O ATOM 476 CB ALA A 29 9.699 -0.940 -7.629 1.00 0.00 C ATOM 0 H ALA A 29 7.885 0.618 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 29 7.986 -2.030 -8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.393 -1.763 -7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.756 -0.238 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.964 -0.429 -6.704 1.00 0.00 H new ATOM 482 N PHE A 30 8.139 -1.850 -5.136 1.00 0.00 N ATOM 483 CA PHE A 30 8.039 -2.676 -3.904 1.00 0.00 C ATOM 484 C PHE A 30 6.791 -3.514 -3.946 1.00 0.00 C ATOM 485 O PHE A 30 6.832 -4.676 -3.651 1.00 0.00 O ATOM 486 CB PHE A 30 7.989 -1.684 -2.750 1.00 0.00 C ATOM 487 CG PHE A 30 9.396 -1.268 -2.387 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.483 -2.124 -2.643 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.616 -0.041 -1.767 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.757 -1.760 -2.273 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.907 0.327 -1.410 1.00 0.00 C ATOM 492 CZ PHE A 30 11.975 -0.544 -1.662 1.00 0.00 C ATOM 0 H PHE A 30 8.135 -0.842 -4.977 1.00 0.00 H new ATOM 0 HA PHE A 30 8.879 -3.362 -3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.401 -0.811 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.497 -2.136 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.316 -3.072 -3.133 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.787 0.621 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.586 -2.427 -2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.087 1.282 -0.939 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.977 -0.260 -1.375 1.00 0.00 H new ATOM 502 N ILE A 31 5.701 -2.937 -4.360 1.00 0.00 N ATOM 503 CA ILE A 31 4.437 -3.711 -4.485 1.00 0.00 C ATOM 504 C ILE A 31 4.620 -4.826 -5.541 1.00 0.00 C ATOM 505 O ILE A 31 4.008 -5.862 -5.427 1.00 0.00 O ATOM 506 CB ILE A 31 3.388 -2.663 -4.851 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.204 -1.747 -3.637 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.073 -3.331 -5.187 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.622 -0.412 -4.061 1.00 0.00 C ATOM 0 H ILE A 31 5.630 -1.953 -4.620 1.00 0.00 H new ATOM 0 HA ILE A 31 4.133 -4.236 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 31 3.713 -2.094 -5.722 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.545 -2.223 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.163 -1.592 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.335 -2.572 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.213 -4.005 -6.033 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.723 -3.899 -4.325 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.498 0.226 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.296 0.070 -4.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.653 -0.571 -4.534 1.00 0.00 H new ATOM 521 N GLN A 32 5.502 -4.646 -6.525 1.00 0.00 N ATOM 522 CA GLN A 32 5.753 -5.747 -7.525 1.00 0.00 C ATOM 523 C GLN A 32 6.561 -6.871 -6.834 1.00 0.00 C ATOM 524 O GLN A 32 6.167 -8.020 -6.853 1.00 0.00 O ATOM 525 CB GLN A 32 6.559 -5.115 -8.673 1.00 0.00 C ATOM 526 CG GLN A 32 5.714 -4.040 -9.366 1.00 0.00 C ATOM 527 CD GLN A 32 6.444 -3.520 -10.607 1.00 0.00 C ATOM 528 OE1 GLN A 32 7.257 -2.625 -10.517 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.184 -4.045 -11.776 1.00 0.00 N ATOM 0 H GLN A 32 6.046 -3.796 -6.670 1.00 0.00 H new ATOM 0 HA GLN A 32 4.829 -6.182 -7.907 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.478 -4.675 -8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.850 -5.882 -9.391 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.746 -4.453 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.520 -3.218 -8.677 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.501 -4.798 -11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.664 -3.701 -12.608 1.00 0.00 H new ATOM 538 N SER A 33 7.664 -6.522 -6.182 1.00 0.00 N ATOM 539 CA SER A 33 8.497 -7.540 -5.430 1.00 0.00 C ATOM 540 C SER A 33 7.712 -8.116 -4.229 1.00 0.00 C ATOM 541 O SER A 33 7.912 -9.249 -3.830 1.00 0.00 O ATOM 542 CB SER A 33 9.750 -6.781 -4.949 1.00 0.00 C ATOM 543 OG SER A 33 9.395 -5.493 -4.447 1.00 0.00 O ATOM 0 H SER A 33 8.024 -5.568 -6.140 1.00 0.00 H new ATOM 0 HA SER A 33 8.759 -8.387 -6.064 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.253 -7.355 -4.171 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.456 -6.674 -5.773 1.00 0.00 H new ATOM 0 HG SER A 33 8.450 -5.492 -4.186 1.00 0.00 H new ATOM 549 N LEU A 34 6.837 -7.320 -3.655 1.00 0.00 N ATOM 550 CA LEU A 34 6.019 -7.738 -2.471 1.00 0.00 C ATOM 551 C LEU A 34 4.814 -8.612 -2.898 1.00 0.00 C ATOM 552 O LEU A 34 4.557 -9.635 -2.286 1.00 0.00 O ATOM 553 CB LEU A 34 5.582 -6.387 -1.877 1.00 0.00 C ATOM 554 CG LEU A 34 4.884 -6.535 -0.533 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.892 -6.880 0.540 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.229 -5.209 -0.174 1.00 0.00 C ATOM 0 H LEU A 34 6.652 -6.368 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 34 6.561 -8.359 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.456 -5.747 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.912 -5.887 -2.577 1.00 0.00 H new ATOM 0 HG LEU A 34 4.139 -7.328 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.383 -6.984 1.498 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.385 -7.819 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.636 -6.086 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.725 -5.301 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.991 -4.432 -0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.502 -4.943 -0.941 1.00 0.00 H new ATOM 568 N LYS A 35 4.077 -8.219 -3.936 1.00 0.00 N ATOM 569 CA LYS A 35 2.885 -9.034 -4.395 1.00 0.00 C ATOM 570 C LYS A 35 3.340 -10.396 -4.951 1.00 0.00 C ATOM 571 O LYS A 35 2.632 -11.379 -4.818 1.00 0.00 O ATOM 572 CB LYS A 35 2.140 -8.185 -5.464 1.00 0.00 C ATOM 573 CG LYS A 35 1.088 -7.309 -4.793 1.00 0.00 C ATOM 574 CD LYS A 35 -0.270 -7.493 -5.474 1.00 0.00 C ATOM 575 CE LYS A 35 -1.368 -7.501 -4.400 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.659 -8.941 -4.131 1.00 0.00 N ATOM 0 H LYS A 35 4.252 -7.374 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 35 2.214 -9.256 -3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.851 -7.562 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.667 -8.840 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.011 -7.567 -3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.389 -6.263 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.446 -6.688 -6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.286 -8.426 -6.037 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.034 -6.993 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.260 -6.980 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.285 -9.020 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.125 -9.362 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.770 -9.445 -3.941 1.00 0.00 H new ATOM 590 N ASP A 36 4.521 -10.467 -5.543 1.00 0.00 N ATOM 591 CA ASP A 36 5.033 -11.775 -6.081 1.00 0.00 C ATOM 592 C ASP A 36 5.778 -12.586 -4.996 1.00 0.00 C ATOM 593 O ASP A 36 5.711 -13.803 -4.996 1.00 0.00 O ATOM 594 CB ASP A 36 5.977 -11.404 -7.237 1.00 0.00 C ATOM 595 CG ASP A 36 5.154 -11.009 -8.471 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.731 -11.902 -9.189 1.00 0.00 O ATOM 597 OD2 ASP A 36 4.955 -9.823 -8.679 1.00 0.00 O ATOM 0 H ASP A 36 5.149 -9.674 -5.675 1.00 0.00 H new ATOM 0 HA ASP A 36 4.213 -12.411 -6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.624 -10.579 -6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.625 -12.247 -7.475 1.00 0.00 H new ATOM 602 N ASP A 37 6.485 -11.934 -4.076 1.00 0.00 N ATOM 603 CA ASP A 37 7.230 -12.693 -3.007 1.00 0.00 C ATOM 604 C ASP A 37 6.729 -12.320 -1.590 1.00 0.00 C ATOM 605 O ASP A 37 6.996 -11.226 -1.109 1.00 0.00 O ATOM 606 CB ASP A 37 8.708 -12.306 -3.172 1.00 0.00 C ATOM 607 CG ASP A 37 9.597 -13.412 -2.587 1.00 0.00 C ATOM 608 OD1 ASP A 37 9.563 -13.605 -1.378 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.296 -14.049 -3.355 1.00 0.00 O ATOM 0 H ASP A 37 6.573 -10.919 -4.025 1.00 0.00 H new ATOM 0 HA ASP A 37 7.075 -13.767 -3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.940 -12.158 -4.227 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.906 -11.361 -2.667 1.00 0.00 H new ATOM 614 N PRO A 38 6.022 -13.252 -0.961 1.00 0.00 N ATOM 615 CA PRO A 38 5.488 -13.028 0.418 1.00 0.00 C ATOM 616 C PRO A 38 6.604 -13.015 1.488 1.00 0.00 C ATOM 617 O PRO A 38 6.573 -12.206 2.398 1.00 0.00 O ATOM 618 CB PRO A 38 4.561 -14.225 0.633 1.00 0.00 C ATOM 619 CG PRO A 38 5.086 -15.287 -0.268 1.00 0.00 C ATOM 620 CD PRO A 38 5.639 -14.583 -1.470 1.00 0.00 C ATOM 0 HA PRO A 38 4.994 -12.061 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.571 -14.550 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.529 -13.974 0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.859 -15.872 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.295 -15.981 -0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.496 -15.114 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.897 -14.508 -2.265 1.00 0.00 H new ATOM 628 N SER A 39 7.572 -13.918 1.398 1.00 0.00 N ATOM 629 CA SER A 39 8.682 -13.981 2.421 1.00 0.00 C ATOM 630 C SER A 39 9.558 -12.714 2.414 1.00 0.00 C ATOM 631 O SER A 39 10.035 -12.293 3.454 1.00 0.00 O ATOM 632 CB SER A 39 9.513 -15.213 2.053 1.00 0.00 C ATOM 633 OG SER A 39 10.536 -15.404 3.026 1.00 0.00 O ATOM 0 H SER A 39 7.638 -14.615 0.656 1.00 0.00 H new ATOM 0 HA SER A 39 8.270 -14.046 3.428 1.00 0.00 H new ATOM 0 HB2 SER A 39 8.874 -16.095 2.004 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.955 -15.085 1.065 1.00 0.00 H new ATOM 0 HG SER A 39 11.067 -16.193 2.792 1.00 0.00 H new ATOM 639 N GLN A 40 9.773 -12.111 1.262 1.00 0.00 N ATOM 640 CA GLN A 40 10.624 -10.873 1.193 1.00 0.00 C ATOM 641 C GLN A 40 9.849 -9.609 1.606 1.00 0.00 C ATOM 642 O GLN A 40 10.408 -8.535 1.583 1.00 0.00 O ATOM 643 CB GLN A 40 11.051 -10.755 -0.281 1.00 0.00 C ATOM 644 CG GLN A 40 12.502 -11.220 -0.449 1.00 0.00 C ATOM 645 CD GLN A 40 12.551 -12.751 -0.568 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.337 -13.455 0.399 1.00 0.00 O ATOM 647 NE2 GLN A 40 12.830 -13.299 -1.720 1.00 0.00 N ATOM 0 H GLN A 40 9.396 -12.423 0.367 1.00 0.00 H new ATOM 0 HA GLN A 40 11.468 -10.953 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.393 -11.358 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.951 -9.722 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.939 -10.764 -1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.098 -10.894 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.010 -12.711 -2.534 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.868 -14.315 -1.806 1.00 0.00 H new ATOM 656 N SER A 41 8.573 -9.708 1.949 1.00 0.00 N ATOM 657 CA SER A 41 7.779 -8.477 2.308 1.00 0.00 C ATOM 658 C SER A 41 8.395 -7.667 3.457 1.00 0.00 C ATOM 659 O SER A 41 8.495 -6.461 3.344 1.00 0.00 O ATOM 660 CB SER A 41 6.373 -8.975 2.682 1.00 0.00 C ATOM 661 OG SER A 41 6.435 -9.792 3.850 1.00 0.00 O ATOM 0 H SER A 41 8.053 -10.584 1.995 1.00 0.00 H new ATOM 0 HA SER A 41 7.764 -7.790 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.713 -8.126 2.858 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.948 -9.543 1.854 1.00 0.00 H new ATOM 0 HG SER A 41 6.490 -10.735 3.587 1.00 0.00 H new ATOM 667 N ALA A 42 8.823 -8.289 4.544 1.00 0.00 N ATOM 668 CA ALA A 42 9.453 -7.481 5.649 1.00 0.00 C ATOM 669 C ALA A 42 10.707 -6.794 5.118 1.00 0.00 C ATOM 670 O ALA A 42 10.877 -5.605 5.288 1.00 0.00 O ATOM 671 CB ALA A 42 9.866 -8.463 6.711 1.00 0.00 C ATOM 0 H ALA A 42 8.765 -9.294 4.710 1.00 0.00 H new ATOM 0 HA ALA A 42 8.762 -6.729 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.331 -7.929 7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.988 -8.999 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.579 -9.173 6.292 1.00 0.00 H new ATOM 677 N ASN A 43 11.559 -7.545 4.433 1.00 0.00 N ATOM 678 CA ASN A 43 12.791 -6.955 3.817 1.00 0.00 C ATOM 679 C ASN A 43 12.383 -5.839 2.877 1.00 0.00 C ATOM 680 O ASN A 43 13.032 -4.834 2.809 1.00 0.00 O ATOM 681 CB ASN A 43 13.422 -8.055 2.979 1.00 0.00 C ATOM 682 CG ASN A 43 14.526 -8.762 3.770 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.385 -9.914 4.130 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.626 -8.120 4.059 1.00 0.00 N ATOM 0 H ASN A 43 11.444 -8.547 4.279 1.00 0.00 H new ATOM 0 HA ASN A 43 13.469 -6.573 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.661 -8.776 2.681 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.836 -7.632 2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.365 -8.586 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.746 -7.153 3.758 1.00 0.00 H new ATOM 691 N LEU A 44 11.291 -6.037 2.160 1.00 0.00 N ATOM 692 CA LEU A 44 10.787 -5.001 1.213 1.00 0.00 C ATOM 693 C LEU A 44 10.370 -3.780 1.956 1.00 0.00 C ATOM 694 O LEU A 44 10.705 -2.682 1.550 1.00 0.00 O ATOM 695 CB LEU A 44 9.624 -5.631 0.488 1.00 0.00 C ATOM 696 CG LEU A 44 10.216 -6.520 -0.571 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.107 -7.340 -1.201 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.934 -5.621 -1.583 1.00 0.00 C ATOM 0 H LEU A 44 10.728 -6.886 2.198 1.00 0.00 H new ATOM 0 HA LEU A 44 11.556 -4.686 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.003 -6.206 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.985 -4.869 0.043 1.00 0.00 H new ATOM 0 HG LEU A 44 10.941 -7.223 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.526 -7.988 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.625 -7.949 -0.436 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.371 -6.673 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.376 -6.236 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.219 -4.928 -2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.719 -5.059 -1.077 1.00 0.00 H new ATOM 710 N LEU A 45 9.708 -3.940 3.069 1.00 0.00 N ATOM 711 CA LEU A 45 9.387 -2.732 3.843 1.00 0.00 C ATOM 712 C LEU A 45 10.703 -2.182 4.378 1.00 0.00 C ATOM 713 O LEU A 45 10.957 -1.034 4.230 1.00 0.00 O ATOM 714 CB LEU A 45 8.455 -3.139 4.963 1.00 0.00 C ATOM 715 CG LEU A 45 8.346 -2.003 5.986 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.087 -0.666 5.267 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.202 -2.318 6.941 1.00 0.00 C ATOM 0 H LEU A 45 9.389 -4.827 3.458 1.00 0.00 H new ATOM 0 HA LEU A 45 8.896 -1.963 3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.470 -3.375 4.561 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.826 -4.042 5.447 1.00 0.00 H new ATOM 0 HG LEU A 45 9.278 -1.915 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.011 0.134 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.910 -0.455 4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.156 -0.730 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.111 -1.518 7.676 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.272 -2.402 6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.403 -3.259 7.452 1.00 0.00 H new ATOM 729 N ALA A 46 11.550 -3.011 4.955 1.00 0.00 N ATOM 730 CA ALA A 46 12.879 -2.515 5.466 1.00 0.00 C ATOM 731 C ALA A 46 13.654 -1.786 4.369 1.00 0.00 C ATOM 732 O ALA A 46 14.202 -0.744 4.619 1.00 0.00 O ATOM 733 CB ALA A 46 13.673 -3.760 5.822 1.00 0.00 C ATOM 0 H ALA A 46 11.380 -4.007 5.094 1.00 0.00 H new ATOM 0 HA ALA A 46 12.728 -1.832 6.302 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.653 -3.470 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.140 -4.325 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.796 -4.379 4.934 1.00 0.00 H new ATOM 739 N GLU A 47 13.696 -2.319 3.157 1.00 0.00 N ATOM 740 CA GLU A 47 14.421 -1.611 2.058 1.00 0.00 C ATOM 741 C GLU A 47 13.627 -0.353 1.707 1.00 0.00 C ATOM 742 O GLU A 47 14.210 0.680 1.465 1.00 0.00 O ATOM 743 CB GLU A 47 14.625 -2.584 0.883 1.00 0.00 C ATOM 744 CG GLU A 47 13.338 -3.163 0.356 1.00 0.00 C ATOM 745 CD GLU A 47 13.684 -4.353 -0.550 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.775 -5.458 -0.034 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.868 -4.142 -1.736 1.00 0.00 O ATOM 0 H GLU A 47 13.262 -3.204 2.893 1.00 0.00 H new ATOM 0 HA GLU A 47 15.419 -1.287 2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.139 -2.063 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.277 -3.397 1.203 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.700 -3.485 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.782 -2.409 -0.202 1.00 0.00 H new ATOM 754 N ALA A 48 12.301 -0.403 1.760 1.00 0.00 N ATOM 755 CA ALA A 48 11.505 0.833 1.544 1.00 0.00 C ATOM 756 C ALA A 48 11.773 1.822 2.707 1.00 0.00 C ATOM 757 O ALA A 48 11.899 3.008 2.494 1.00 0.00 O ATOM 758 CB ALA A 48 10.071 0.345 1.566 1.00 0.00 C ATOM 0 H ALA A 48 11.756 -1.246 1.943 1.00 0.00 H new ATOM 0 HA ALA A 48 11.747 1.357 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.397 1.188 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.923 -0.386 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.859 -0.119 2.529 1.00 0.00 H new ATOM 764 N LYS A 49 11.920 1.307 3.926 1.00 0.00 N ATOM 765 CA LYS A 49 12.260 2.142 5.132 1.00 0.00 C ATOM 766 C LYS A 49 13.685 2.680 4.936 1.00 0.00 C ATOM 767 O LYS A 49 13.996 3.822 5.217 1.00 0.00 O ATOM 768 CB LYS A 49 12.241 1.146 6.316 1.00 0.00 C ATOM 769 CG LYS A 49 10.823 0.692 6.655 1.00 0.00 C ATOM 770 CD LYS A 49 9.952 1.884 7.002 1.00 0.00 C ATOM 771 CE LYS A 49 8.701 1.384 7.724 1.00 0.00 C ATOM 772 NZ LYS A 49 8.541 2.258 8.924 1.00 0.00 N ATOM 0 H LYS A 49 11.813 0.313 4.130 1.00 0.00 H new ATOM 0 HA LYS A 49 11.580 2.978 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.851 0.277 6.069 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.692 1.614 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.395 0.155 5.809 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.848 -0.004 7.494 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.501 2.581 7.636 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.675 2.426 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.826 1.446 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.809 0.339 8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.699 1.963 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.383 2.174 9.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.430 3.247 8.621 1.00 0.00 H new ATOM 786 N LYS A 50 14.523 1.816 4.401 1.00 0.00 N ATOM 787 CA LYS A 50 15.945 2.138 4.075 1.00 0.00 C ATOM 788 C LYS A 50 15.956 3.236 3.000 1.00 0.00 C ATOM 789 O LYS A 50 16.726 4.176 3.076 1.00 0.00 O ATOM 790 CB LYS A 50 16.482 0.784 3.562 1.00 0.00 C ATOM 791 CG LYS A 50 17.690 0.922 2.629 1.00 0.00 C ATOM 792 CD LYS A 50 17.698 -0.283 1.668 1.00 0.00 C ATOM 793 CE LYS A 50 18.089 -1.560 2.431 1.00 0.00 C ATOM 794 NZ LYS A 50 18.262 -2.614 1.386 1.00 0.00 N ATOM 0 H LYS A 50 14.260 0.858 4.169 1.00 0.00 H new ATOM 0 HA LYS A 50 16.549 2.520 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.760 0.165 4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.684 0.261 3.036 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.632 1.855 2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.614 0.954 3.206 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.713 -0.406 1.217 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.401 -0.106 0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.010 -1.413 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.317 -1.841 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.529 -3.511 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.369 -2.740 0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.009 -2.325 0.722 1.00 0.00 H new ATOM 808 N LEU A 51 15.062 3.134 2.031 1.00 0.00 N ATOM 809 CA LEU A 51 14.953 4.176 0.963 1.00 0.00 C ATOM 810 C LEU A 51 14.335 5.442 1.568 1.00 0.00 C ATOM 811 O LEU A 51 14.734 6.541 1.261 1.00 0.00 O ATOM 812 CB LEU A 51 14.013 3.574 -0.092 1.00 0.00 C ATOM 813 CG LEU A 51 14.785 2.898 -1.239 1.00 0.00 C ATOM 814 CD1 LEU A 51 16.143 2.368 -0.780 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.969 1.721 -1.749 1.00 0.00 C ATOM 0 H LEU A 51 14.401 2.363 1.941 1.00 0.00 H new ATOM 0 HA LEU A 51 15.917 4.445 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.357 2.844 0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.375 4.359 -0.498 1.00 0.00 H new ATOM 0 HG LEU A 51 14.949 3.644 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.654 1.899 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.747 3.193 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.998 1.633 0.012 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.505 1.232 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.812 1.009 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.005 2.077 -2.112 1.00 0.00 H new ATOM 827 N ASN A 52 13.374 5.259 2.445 1.00 0.00 N ATOM 828 CA ASN A 52 12.697 6.395 3.136 1.00 0.00 C ATOM 829 C ASN A 52 13.735 7.272 3.865 1.00 0.00 C ATOM 830 O ASN A 52 13.630 8.477 3.854 1.00 0.00 O ATOM 831 CB ASN A 52 11.720 5.697 4.110 1.00 0.00 C ATOM 832 CG ASN A 52 11.507 6.518 5.381 1.00 0.00 C ATOM 833 OD1 ASN A 52 10.659 7.491 5.362 1.00 0.00 O flip ATOM 834 ND2 ASN A 52 12.121 6.261 6.397 1.00 0.00 N flip ATOM 0 H ASN A 52 13.024 4.340 2.715 1.00 0.00 H new ATOM 0 HA ASN A 52 12.175 7.074 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.762 5.539 3.614 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.109 4.713 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.790 5.491 6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.967 6.815 7.240 1.00 0.00 H new ATOM 841 N ASP A 53 14.731 6.668 4.485 1.00 0.00 N ATOM 842 CA ASP A 53 15.782 7.467 5.203 1.00 0.00 C ATOM 843 C ASP A 53 16.906 7.899 4.241 1.00 0.00 C ATOM 844 O ASP A 53 17.356 9.030 4.290 1.00 0.00 O ATOM 845 CB ASP A 53 16.329 6.539 6.287 1.00 0.00 C ATOM 846 CG ASP A 53 17.337 7.291 7.164 1.00 0.00 C ATOM 847 OD1 ASP A 53 16.906 7.979 8.075 1.00 0.00 O ATOM 848 OD2 ASP A 53 18.526 7.171 6.907 1.00 0.00 O ATOM 0 H ASP A 53 14.859 5.657 4.523 1.00 0.00 H new ATOM 0 HA ASP A 53 15.368 8.384 5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.511 6.162 6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.808 5.674 5.828 1.00 0.00 H new ATOM 853 N ALA A 54 17.363 7.007 3.377 1.00 0.00 N ATOM 854 CA ALA A 54 18.462 7.364 2.410 1.00 0.00 C ATOM 855 C ALA A 54 17.979 8.470 1.457 1.00 0.00 C ATOM 856 O ALA A 54 18.635 9.485 1.298 1.00 0.00 O ATOM 857 CB ALA A 54 18.766 6.073 1.643 1.00 0.00 C ATOM 0 H ALA A 54 17.021 6.049 3.302 1.00 0.00 H new ATOM 0 HA ALA A 54 19.351 7.743 2.914 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.559 6.258 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.086 5.301 2.343 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.869 5.740 1.121 1.00 0.00 H new ATOM 863 N GLN A 55 16.813 8.291 0.864 1.00 0.00 N ATOM 864 CA GLN A 55 16.233 9.339 -0.047 1.00 0.00 C ATOM 865 C GLN A 55 15.765 10.560 0.779 1.00 0.00 C ATOM 866 O GLN A 55 15.665 11.655 0.252 1.00 0.00 O ATOM 867 CB GLN A 55 15.044 8.682 -0.762 1.00 0.00 C ATOM 868 CG GLN A 55 15.532 7.504 -1.624 1.00 0.00 C ATOM 869 CD GLN A 55 14.359 6.914 -2.410 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.420 6.796 -3.615 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.284 6.538 -1.774 1.00 0.00 N ATOM 0 H GLN A 55 16.236 7.457 0.974 1.00 0.00 H new ATOM 0 HA GLN A 55 16.971 9.696 -0.765 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.318 8.330 -0.029 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.536 9.415 -1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.308 7.841 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.978 6.738 -0.990 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.231 6.636 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.497 6.146 -2.291 1.00 0.00 H new ATOM 880 N ALA A 56 15.473 10.371 2.068 1.00 0.00 N ATOM 881 CA ALA A 56 15.004 11.505 2.943 1.00 0.00 C ATOM 882 C ALA A 56 16.010 12.660 2.973 1.00 0.00 C ATOM 883 O ALA A 56 17.202 12.455 2.802 1.00 0.00 O ATOM 884 CB ALA A 56 14.877 10.945 4.364 1.00 0.00 C ATOM 0 H ALA A 56 15.543 9.471 2.543 1.00 0.00 H new ATOM 0 HA ALA A 56 14.062 11.892 2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.539 11.733 5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.155 10.128 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.847 10.575 4.697 1.00 0.00 H new ATOM 890 N PRO A 57 15.485 13.846 3.217 1.00 0.00 N ATOM 891 CA PRO A 57 16.339 15.054 3.302 1.00 0.00 C ATOM 892 C PRO A 57 17.187 15.023 4.585 1.00 0.00 C ATOM 893 O PRO A 57 16.746 14.544 5.619 1.00 0.00 O ATOM 894 CB PRO A 57 15.334 16.203 3.321 1.00 0.00 C ATOM 895 CG PRO A 57 14.082 15.606 3.870 1.00 0.00 C ATOM 896 CD PRO A 57 14.062 14.168 3.436 1.00 0.00 C ATOM 0 HA PRO A 57 17.050 15.140 2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.686 17.026 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.175 16.606 2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.061 15.682 4.957 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.205 16.135 3.497 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.619 13.526 4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.477 14.033 2.526 1.00 0.00 H new ATOM 904 N LYS A 58 18.400 15.526 4.514 1.00 0.00 N ATOM 905 CA LYS A 58 19.305 15.526 5.718 1.00 0.00 C ATOM 906 C LYS A 58 19.995 16.893 5.875 1.00 0.00 C ATOM 907 O LYS A 58 20.577 17.371 4.909 1.00 0.00 O ATOM 908 CB LYS A 58 20.342 14.418 5.448 1.00 0.00 C ATOM 909 CG LYS A 58 19.644 13.052 5.363 1.00 0.00 C ATOM 910 CD LYS A 58 20.687 11.942 5.209 1.00 0.00 C ATOM 911 CE LYS A 58 19.990 10.616 4.863 1.00 0.00 C ATOM 912 NZ LYS A 58 19.508 10.051 6.162 1.00 0.00 N ATOM 913 OXT LYS A 58 19.929 17.441 6.963 1.00 0.00 O ATOM 0 H LYS A 58 18.805 15.938 3.673 1.00 0.00 H new ATOM 0 HA LYS A 58 18.754 15.347 6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 20.871 14.623 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 58 21.088 14.405 6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 58 19.049 12.882 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 58 18.957 13.037 4.517 1.00 0.00 H new ATOM 0 HD2 LYS A 58 21.398 12.205 4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.256 11.834 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 58 19.159 10.780 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 58 20.679 9.930 4.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.621 9.530 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.226 9.405 6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.341 10.825 6.837 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -10.291 -15.581 -8.543 1.00 0.00 N ATOM 929 CA VAL B 1 -10.125 -14.104 -8.769 1.00 0.00 C ATOM 930 C VAL B 1 -8.630 -13.757 -8.895 1.00 0.00 C ATOM 931 O VAL B 1 -7.804 -14.267 -8.152 1.00 0.00 O ATOM 932 CB VAL B 1 -10.747 -13.410 -7.532 1.00 0.00 C ATOM 933 CG1 VAL B 1 -10.501 -11.896 -7.595 1.00 0.00 C ATOM 934 CG2 VAL B 1 -12.262 -13.661 -7.493 1.00 0.00 C ATOM 0 H1 VAL B 1 -11.255 -15.867 -8.808 1.00 0.00 H new ATOM 0 H2 VAL B 1 -9.603 -16.101 -9.125 1.00 0.00 H new ATOM 0 H3 VAL B 1 -10.129 -15.799 -7.539 1.00 0.00 H new ATOM 0 HA VAL B 1 -10.611 -13.777 -9.688 1.00 0.00 H new ATOM 0 HB VAL B 1 -10.281 -13.822 -6.637 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -10.943 -11.419 -6.720 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -9.429 -11.702 -7.611 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -10.957 -11.491 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -12.690 -13.169 -6.620 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -12.721 -13.260 -8.397 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -12.452 -14.733 -7.435 1.00 0.00 H new ATOM 946 N ASP B 2 -8.282 -12.882 -9.821 1.00 0.00 N ATOM 947 CA ASP B 2 -6.843 -12.487 -9.989 1.00 0.00 C ATOM 948 C ASP B 2 -6.469 -11.456 -8.914 1.00 0.00 C ATOM 949 O ASP B 2 -7.028 -10.374 -8.861 1.00 0.00 O ATOM 950 CB ASP B 2 -6.733 -11.880 -11.397 1.00 0.00 C ATOM 951 CG ASP B 2 -5.259 -11.628 -11.737 1.00 0.00 C ATOM 952 OD1 ASP B 2 -4.619 -12.541 -12.232 1.00 0.00 O ATOM 953 OD2 ASP B 2 -4.791 -10.528 -11.489 1.00 0.00 O ATOM 0 H ASP B 2 -8.932 -12.428 -10.463 1.00 0.00 H new ATOM 0 HA ASP B 2 -6.165 -13.333 -9.879 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -7.175 -12.555 -12.130 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -7.292 -10.946 -11.446 1.00 0.00 H new ATOM 958 N ASN B 3 -5.539 -11.799 -8.052 1.00 0.00 N ATOM 959 CA ASN B 3 -5.121 -10.861 -6.960 1.00 0.00 C ATOM 960 C ASN B 3 -3.620 -10.512 -7.075 1.00 0.00 C ATOM 961 O ASN B 3 -2.877 -10.582 -6.109 1.00 0.00 O ATOM 962 CB ASN B 3 -5.472 -11.601 -5.644 1.00 0.00 C ATOM 963 CG ASN B 3 -4.540 -12.802 -5.397 1.00 0.00 C ATOM 964 OD1 ASN B 3 -4.352 -13.639 -6.258 1.00 0.00 O ATOM 965 ND2 ASN B 3 -3.940 -12.921 -4.242 1.00 0.00 N ATOM 0 H ASN B 3 -5.049 -12.694 -8.059 1.00 0.00 H new ATOM 0 HA ASN B 3 -5.632 -9.899 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -5.400 -10.907 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -6.505 -11.945 -5.685 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -3.320 -13.712 -4.069 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -4.092 -12.223 -3.514 1.00 0.00 H new ATOM 972 N LYS B 4 -3.178 -10.122 -8.256 1.00 0.00 N ATOM 973 CA LYS B 4 -1.729 -9.754 -8.450 1.00 0.00 C ATOM 974 C LYS B 4 -1.565 -8.428 -9.237 1.00 0.00 C ATOM 975 O LYS B 4 -0.582 -8.236 -9.937 1.00 0.00 O ATOM 976 CB LYS B 4 -1.102 -10.949 -9.202 1.00 0.00 C ATOM 977 CG LYS B 4 -1.767 -11.147 -10.575 1.00 0.00 C ATOM 978 CD LYS B 4 -1.242 -12.427 -11.229 1.00 0.00 C ATOM 979 CE LYS B 4 -1.936 -13.651 -10.606 1.00 0.00 C ATOM 980 NZ LYS B 4 -2.307 -14.533 -11.752 1.00 0.00 N ATOM 0 H LYS B 4 -3.757 -10.043 -9.092 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.233 -9.575 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -0.033 -10.781 -9.333 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -1.211 -11.856 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -2.849 -11.205 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -1.560 -10.290 -11.216 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -1.426 -12.400 -12.303 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -0.163 -12.500 -11.093 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -1.271 -14.168 -9.914 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -2.818 -13.354 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -2.530 -15.485 -11.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -3.138 -14.140 -12.238 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -1.511 -14.589 -12.419 1.00 0.00 H new ATOM 994 N PHE B 5 -2.506 -7.501 -9.109 1.00 0.00 N ATOM 995 CA PHE B 5 -2.403 -6.186 -9.818 1.00 0.00 C ATOM 996 C PHE B 5 -1.477 -5.241 -9.018 1.00 0.00 C ATOM 997 O PHE B 5 -1.933 -4.335 -8.336 1.00 0.00 O ATOM 998 CB PHE B 5 -3.836 -5.630 -9.860 1.00 0.00 C ATOM 999 CG PHE B 5 -4.735 -6.479 -10.734 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -4.579 -6.467 -12.124 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.741 -7.259 -10.150 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -5.424 -7.238 -12.930 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.588 -8.025 -10.955 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.431 -8.016 -12.345 1.00 0.00 C ATOM 0 H PHE B 5 -3.343 -7.610 -8.537 1.00 0.00 H new ATOM 0 HA PHE B 5 -1.985 -6.284 -10.820 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -4.242 -5.590 -8.849 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.820 -4.608 -10.238 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -3.806 -5.862 -12.575 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -5.862 -7.268 -9.077 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -5.300 -7.233 -14.003 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.365 -8.625 -10.504 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.086 -8.609 -12.967 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.175 -5.457 -9.092 1.00 0.00 N ATOM 1015 CA ASN B 6 0.807 -4.583 -8.336 1.00 0.00 C ATOM 1016 C ASN B 6 0.732 -3.119 -8.802 1.00 0.00 C ATOM 1017 O ASN B 6 0.825 -2.204 -8.000 1.00 0.00 O ATOM 1018 CB ASN B 6 2.219 -5.175 -8.570 1.00 0.00 C ATOM 1019 CG ASN B 6 2.473 -5.469 -10.063 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.293 -6.585 -10.505 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.882 -4.516 -10.859 1.00 0.00 N ATOM 0 H ASN B 6 0.253 -6.201 -9.643 1.00 0.00 H new ATOM 0 HA ASN B 6 0.567 -4.575 -7.273 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.972 -4.477 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.329 -6.094 -7.994 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.048 -4.712 -11.846 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.035 -3.576 -10.493 1.00 0.00 H new ATOM 1028 N LYS B 7 0.535 -2.902 -10.083 1.00 0.00 N ATOM 1029 CA LYS B 7 0.415 -1.501 -10.629 1.00 0.00 C ATOM 1030 C LYS B 7 -0.811 -0.813 -10.028 1.00 0.00 C ATOM 1031 O LYS B 7 -0.793 0.372 -9.744 1.00 0.00 O ATOM 1032 CB LYS B 7 0.248 -1.667 -12.144 1.00 0.00 C ATOM 1033 CG LYS B 7 0.341 -0.303 -12.835 1.00 0.00 C ATOM 1034 CD LYS B 7 0.097 -0.470 -14.336 1.00 0.00 C ATOM 1035 CE LYS B 7 0.307 0.874 -15.046 1.00 0.00 C ATOM 1036 NZ LYS B 7 -0.113 0.649 -16.462 1.00 0.00 N ATOM 0 H LYS B 7 0.451 -3.639 -10.783 1.00 0.00 H new ATOM 0 HA LYS B 7 1.283 -0.888 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.018 -2.333 -12.532 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.714 -2.130 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -0.394 0.382 -12.411 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.323 0.137 -12.663 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.777 -1.218 -14.744 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.916 -0.831 -14.512 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.287 1.660 -14.581 1.00 0.00 H new ATOM 0 HE3 LYS B 7 1.349 1.188 -14.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 0.005 1.529 -17.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.474 -0.098 -16.884 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.112 0.359 -16.486 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.864 -1.564 -9.827 1.00 0.00 N ATOM 1051 CA GLU B 8 -3.107 -1.001 -9.224 1.00 0.00 C ATOM 1052 C GLU B 8 -2.871 -0.573 -7.781 1.00 0.00 C ATOM 1053 O GLU B 8 -3.439 0.393 -7.346 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.152 -2.119 -9.287 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.027 -1.951 -10.531 1.00 0.00 C ATOM 1056 CD GLU B 8 -6.401 -2.593 -10.288 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.483 -3.812 -10.312 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -7.349 -1.851 -10.083 1.00 0.00 O ATOM 0 H GLU B 8 -1.914 -2.556 -10.059 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.436 -0.113 -9.763 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.657 -3.090 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.772 -2.099 -8.391 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -5.145 -0.893 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.545 -2.415 -11.392 1.00 0.00 H new ATOM 1065 N LEU B 9 -2.019 -1.252 -7.049 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.756 -0.821 -5.637 1.00 0.00 C ATOM 1067 C LEU B 9 -0.919 0.453 -5.628 1.00 0.00 C ATOM 1068 O LEU B 9 -0.970 1.218 -4.689 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.987 -1.918 -4.925 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.613 -3.297 -5.143 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.639 -4.367 -4.624 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.945 -3.357 -4.376 1.00 0.00 C ATOM 0 H LEU B 9 -1.501 -2.074 -7.361 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.705 -0.633 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.043 -1.928 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.952 -1.701 -3.857 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.804 -3.477 -6.201 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.072 -5.356 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.302 -4.297 -5.169 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.456 -4.207 -3.561 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.405 -4.335 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.761 -3.197 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.615 -2.582 -4.749 1.00 0.00 H new ATOM 1084 N SER B 10 -0.167 0.698 -6.674 1.00 0.00 N ATOM 1085 CA SER B 10 0.639 1.943 -6.734 1.00 0.00 C ATOM 1086 C SER B 10 -0.349 3.138 -6.747 1.00 0.00 C ATOM 1087 O SER B 10 -0.240 4.066 -5.952 1.00 0.00 O ATOM 1088 CB SER B 10 1.431 1.822 -8.052 1.00 0.00 C ATOM 1089 OG SER B 10 1.394 3.046 -8.784 1.00 0.00 O ATOM 0 H SER B 10 -0.081 0.086 -7.485 1.00 0.00 H new ATOM 0 HA SER B 10 1.319 2.092 -5.895 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.465 1.554 -7.836 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.014 1.018 -8.659 1.00 0.00 H new ATOM 0 HG SER B 10 1.764 2.902 -9.680 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.330 3.074 -7.640 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.360 4.164 -7.767 1.00 0.00 C ATOM 1097 C VAL B 11 -3.476 3.989 -6.716 1.00 0.00 C ATOM 1098 O VAL B 11 -3.703 4.865 -5.902 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.919 4.012 -9.204 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.793 5.216 -9.559 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.766 3.905 -10.219 1.00 0.00 C ATOM 0 H VAL B 11 -1.456 2.299 -8.291 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.937 5.154 -7.596 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.519 3.103 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -4.180 5.099 -10.571 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.625 5.281 -8.857 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -3.198 6.127 -9.502 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -2.175 3.799 -11.224 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -1.153 4.805 -10.170 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.153 3.035 -9.983 1.00 0.00 H new ATOM 1111 N ALA B 12 -4.155 2.857 -6.735 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.263 2.582 -5.748 1.00 0.00 C ATOM 1113 C ALA B 12 -4.739 2.552 -4.319 1.00 0.00 C ATOM 1114 O ALA B 12 -5.363 3.072 -3.419 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.813 1.198 -6.120 1.00 0.00 C ATOM 0 H ALA B 12 -3.986 2.103 -7.401 1.00 0.00 H new ATOM 0 HA ALA B 12 -6.023 3.362 -5.793 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.624 0.934 -5.441 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -6.189 1.219 -7.143 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -5.018 0.457 -6.041 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.599 1.949 -4.117 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.006 1.848 -2.760 1.00 0.00 C ATOM 1123 C GLY B 13 -2.651 3.216 -2.223 1.00 0.00 C ATOM 1124 O GLY B 13 -3.138 3.601 -1.178 1.00 0.00 O ATOM 0 H GLY B 13 -3.045 1.514 -4.854 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.710 1.360 -2.086 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.113 1.224 -2.794 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.796 3.947 -2.910 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.402 5.292 -2.374 1.00 0.00 C ATOM 1130 C ARG B 14 -2.596 6.271 -2.280 1.00 0.00 C ATOM 1131 O ARG B 14 -2.658 7.062 -1.355 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.316 5.853 -3.272 1.00 0.00 C ATOM 1133 CG ARG B 14 0.185 7.151 -2.624 1.00 0.00 C ATOM 1134 CD ARG B 14 1.667 7.346 -2.888 1.00 0.00 C ATOM 1135 NE ARG B 14 1.826 7.262 -4.372 1.00 0.00 N ATOM 1136 CZ ARG B 14 1.646 8.319 -5.127 1.00 0.00 C ATOM 1137 NH1 ARG B 14 0.655 8.342 -5.984 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.462 9.344 -5.033 1.00 0.00 N ATOM 0 H ARG B 14 -1.365 3.678 -3.795 1.00 0.00 H new ATOM 0 HA ARG B 14 -1.037 5.170 -1.354 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.500 5.138 -3.382 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.706 6.048 -4.271 1.00 0.00 H new ATOM 0 HG2 ARG B 14 -0.374 7.999 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.003 7.121 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG B 14 2.009 8.310 -2.511 1.00 0.00 H new ATOM 0 HD3 ARG B 14 2.259 6.580 -2.387 1.00 0.00 H new ATOM 0 HE ARG B 14 2.077 6.372 -4.802 1.00 0.00 H new ATOM 0 HH11 ARG B 14 0.029 7.541 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG B 14 0.510 9.161 -6.574 1.00 0.00 H new ATOM 0 HH21 ARG B 14 3.238 9.319 -4.372 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.320 10.165 -5.622 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.547 6.235 -3.199 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.720 7.173 -3.075 1.00 0.00 C ATOM 1154 C GLU B 15 -5.522 6.795 -1.816 1.00 0.00 C ATOM 1155 O GLU B 15 -5.898 7.654 -1.045 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.546 7.017 -4.348 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.858 7.768 -5.494 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.726 7.703 -6.751 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.659 8.487 -6.849 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.442 6.878 -7.596 1.00 0.00 O ATOM 0 H GLU B 15 -3.562 5.614 -4.008 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.415 8.214 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.650 5.962 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.551 7.409 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.690 8.807 -5.211 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.880 7.329 -5.693 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.700 5.504 -1.568 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.383 5.032 -0.307 1.00 0.00 C ATOM 1169 C ILE B 16 -5.481 5.392 0.912 1.00 0.00 C ATOM 1170 O ILE B 16 -5.961 5.621 2.008 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.550 3.501 -0.481 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.583 3.231 -1.594 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -7.046 2.859 0.821 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.506 1.776 -2.074 1.00 0.00 C ATOM 0 H ILE B 16 -5.398 4.755 -2.192 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.353 5.498 -0.133 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.583 3.071 -0.742 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.586 3.443 -1.223 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.404 3.904 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.157 1.784 0.678 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.325 3.047 1.617 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -8.009 3.290 1.095 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.245 1.612 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.509 1.575 -2.466 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.709 1.106 -1.239 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.174 5.463 0.690 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.176 5.829 1.761 1.00 0.00 C ATOM 1188 C VAL B 17 -3.307 7.311 2.165 1.00 0.00 C ATOM 1189 O VAL B 17 -3.078 7.653 3.312 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.781 5.561 1.110 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.652 6.399 1.732 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.423 4.094 1.248 1.00 0.00 C ATOM 0 H VAL B 17 -3.751 5.276 -0.219 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.330 5.252 2.673 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.870 5.849 0.063 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.290 6.166 1.236 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.875 7.459 1.608 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.570 6.167 2.794 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.450 3.913 0.792 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.385 3.827 2.304 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.177 3.487 0.747 1.00 0.00 H new ATOM 1202 N THR B 18 -3.605 8.203 1.230 1.00 0.00 N ATOM 1203 CA THR B 18 -3.662 9.658 1.590 1.00 0.00 C ATOM 1204 C THR B 18 -4.795 10.448 0.885 1.00 0.00 C ATOM 1205 O THR B 18 -4.607 11.613 0.558 1.00 0.00 O ATOM 1206 CB THR B 18 -2.259 10.187 1.201 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.088 11.507 1.703 1.00 0.00 O ATOM 1208 CG2 THR B 18 -2.074 10.190 -0.327 1.00 0.00 C ATOM 0 H THR B 18 -3.806 7.985 0.254 1.00 0.00 H new ATOM 0 HA THR B 18 -3.900 9.791 2.645 1.00 0.00 H new ATOM 0 HB THR B 18 -1.511 9.526 1.638 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.878 12.045 1.485 1.00 0.00 H new ATOM 0 HG21 THR B 18 -1.081 10.566 -0.573 1.00 0.00 H new ATOM 0 HG22 THR B 18 -2.182 9.175 -0.709 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.828 10.832 -0.784 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.981 9.878 0.684 1.00 0.00 N ATOM 1217 CA LEU B 19 -7.090 10.695 0.049 1.00 0.00 C ATOM 1218 C LEU B 19 -7.482 11.870 1.003 1.00 0.00 C ATOM 1219 O LEU B 19 -7.029 11.914 2.137 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.248 9.733 -0.254 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.640 8.925 0.972 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.141 9.044 1.132 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.242 7.457 0.768 1.00 0.00 C ATOM 0 H LEU B 19 -6.222 8.916 0.923 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.782 11.161 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -9.109 10.300 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.959 9.057 -1.059 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.133 9.295 1.863 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.460 8.475 2.005 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.411 10.092 1.263 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.634 8.651 0.243 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.523 6.878 1.648 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.755 7.059 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.164 7.390 0.619 1.00 0.00 H new ATOM 1235 N PRO B 20 -8.230 12.836 0.485 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.566 14.082 1.264 1.00 0.00 C ATOM 1237 C PRO B 20 -9.296 13.900 2.618 1.00 0.00 C ATOM 1238 O PRO B 20 -9.096 14.721 3.496 1.00 0.00 O ATOM 1239 CB PRO B 20 -9.417 14.893 0.282 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.958 13.883 -0.667 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.856 12.877 -0.848 1.00 0.00 C ATOM 0 HA PRO B 20 -7.642 14.559 1.590 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -10.219 15.423 0.796 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.819 15.643 -0.235 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.858 13.413 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -10.231 14.343 -1.617 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -9.243 11.902 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -8.149 13.186 -1.618 1.00 0.00 H new ATOM 1249 N ASN B 21 -10.149 12.904 2.813 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.872 12.815 4.151 1.00 0.00 C ATOM 1251 C ASN B 21 -10.792 11.439 4.843 1.00 0.00 C ATOM 1252 O ASN B 21 -11.579 11.172 5.739 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.338 13.119 3.837 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.529 14.556 3.333 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.827 15.465 3.729 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.480 14.797 2.479 1.00 0.00 N ATOM 0 H ASN B 21 -10.373 12.174 2.137 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.400 13.510 4.845 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.701 12.419 3.084 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.941 12.965 4.732 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.635 15.748 2.143 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -14.071 14.035 2.145 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.876 10.572 4.475 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.810 9.236 5.167 1.00 0.00 C ATOM 1265 C LEU B 22 -8.943 9.321 6.424 1.00 0.00 C ATOM 1266 O LEU B 22 -8.063 10.161 6.531 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.177 8.271 4.180 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.695 6.854 4.419 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.728 6.475 3.347 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.519 5.877 4.369 1.00 0.00 C ATOM 0 H LEU B 22 -9.183 10.723 3.742 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.805 8.911 5.471 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.404 8.582 3.160 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.092 8.292 4.285 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.175 6.807 5.397 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.088 5.463 3.530 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.566 7.171 3.387 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.264 6.522 2.362 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.881 4.863 4.539 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.041 5.933 3.391 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.796 6.138 5.142 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.170 8.426 7.355 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.340 8.412 8.616 1.00 0.00 C ATOM 1284 C ASN B 23 -7.314 7.268 8.561 1.00 0.00 C ATOM 1285 O ASN B 23 -7.525 6.272 7.895 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.293 8.283 9.825 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.247 7.086 9.701 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.829 6.856 8.667 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.464 6.337 10.738 1.00 0.00 N ATOM 0 H ASN B 23 -9.889 7.705 7.303 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.775 9.338 8.716 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.705 8.181 10.737 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.876 9.199 9.922 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.122 5.560 10.677 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -9.976 6.525 11.614 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.185 7.450 9.227 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.064 6.433 9.195 1.00 0.00 C ATOM 1298 C ASP B 24 -5.453 4.974 9.569 1.00 0.00 C ATOM 1299 O ASP B 24 -4.911 4.070 8.954 1.00 0.00 O ATOM 1300 CB ASP B 24 -3.926 6.984 10.092 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.343 7.093 11.564 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -4.924 8.106 11.923 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.060 6.167 12.310 1.00 0.00 O ATOM 0 H ASP B 24 -5.990 8.271 9.799 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.747 6.323 8.158 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.056 6.333 10.011 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.624 7.966 9.729 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.346 4.739 10.534 1.00 0.00 N ATOM 1309 CA PRO B 25 -6.696 3.328 10.874 1.00 0.00 C ATOM 1310 C PRO B 25 -7.592 2.693 9.787 1.00 0.00 C ATOM 1311 O PRO B 25 -7.530 1.487 9.560 1.00 0.00 O ATOM 1312 CB PRO B 25 -7.434 3.442 12.203 1.00 0.00 C ATOM 1313 CG PRO B 25 -7.994 4.824 12.226 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.103 5.692 11.373 1.00 0.00 C ATOM 0 HA PRO B 25 -5.819 2.684 10.937 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -8.225 2.696 12.279 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -6.759 3.277 13.043 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.014 4.830 11.843 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.035 5.204 13.247 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.687 6.380 10.762 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.435 6.298 11.986 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.408 3.486 9.101 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.283 2.920 8.040 1.00 0.00 C ATOM 1324 C GLN B 26 -8.423 2.592 6.804 1.00 0.00 C ATOM 1325 O GLN B 26 -8.533 1.506 6.275 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.385 3.987 7.824 1.00 0.00 C ATOM 1327 CG GLN B 26 -10.335 4.599 6.438 1.00 0.00 C ATOM 1328 CD GLN B 26 -11.744 4.989 5.995 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.233 4.472 5.020 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.418 5.885 6.664 1.00 0.00 N ATOM 0 H GLN B 26 -8.493 4.493 9.241 1.00 0.00 H new ATOM 0 HA GLN B 26 -9.763 1.974 8.292 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -11.363 3.532 7.982 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.275 4.774 8.570 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -9.689 5.477 6.441 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -9.905 3.889 5.732 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -12.006 6.323 7.488 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.356 6.147 6.363 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.542 3.499 6.372 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.649 3.183 5.197 1.00 0.00 C ATOM 1341 C LYS B 27 -5.797 1.956 5.502 1.00 0.00 C ATOM 1342 O LYS B 27 -5.535 1.171 4.619 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.727 4.376 4.884 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.204 5.106 6.125 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.571 6.433 5.692 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.670 7.482 5.445 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.176 8.744 6.074 1.00 0.00 N ATOM 0 H LYS B 27 -7.412 4.425 6.780 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.281 2.983 4.332 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.878 4.021 4.300 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.269 5.086 4.260 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.018 5.288 6.826 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.469 4.490 6.643 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.885 6.787 6.462 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.985 6.287 4.785 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.847 7.620 4.378 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.616 7.169 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.947 9.441 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.849 8.545 7.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.388 9.126 5.513 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.382 1.776 6.745 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.578 0.556 7.096 1.00 0.00 C ATOM 1363 C LYS B 28 -5.402 -0.682 6.709 1.00 0.00 C ATOM 1364 O LYS B 28 -4.982 -1.470 5.895 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.366 0.575 8.628 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.043 1.254 8.971 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.055 0.253 9.569 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.372 -0.518 8.436 1.00 0.00 C ATOM 1369 NZ LYS B 28 0.030 -0.766 8.893 1.00 0.00 N ATOM 0 H LYS B 28 -5.565 2.415 7.519 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.619 0.537 6.578 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.189 1.103 9.109 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.371 -0.444 9.015 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.616 1.701 8.073 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.218 2.065 9.678 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.310 0.774 10.171 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.575 -0.437 10.233 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.889 -1.457 8.236 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.385 0.057 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.686 -0.188 8.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 0.118 -0.511 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 0.262 -1.772 8.770 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.603 -0.821 7.252 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.482 -1.991 6.872 1.00 0.00 C ATOM 1385 C ALA B 29 -7.813 -1.952 5.362 1.00 0.00 C ATOM 1386 O ALA B 29 -7.959 -2.983 4.728 1.00 0.00 O ATOM 1387 CB ALA B 29 -8.760 -1.830 7.705 1.00 0.00 C ATOM 0 H ALA B 29 -7.008 -0.181 7.935 1.00 0.00 H new ATOM 0 HA ALA B 29 -6.991 -2.945 7.064 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.446 -2.647 7.480 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.508 -1.849 8.765 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.235 -0.880 7.462 1.00 0.00 H new ATOM 1393 N PHE B 30 -7.924 -0.762 4.795 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.238 -0.599 3.331 1.00 0.00 C ATOM 1395 C PHE B 30 -7.096 -1.138 2.456 1.00 0.00 C ATOM 1396 O PHE B 30 -7.317 -1.956 1.591 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.389 0.918 3.128 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.729 1.247 2.539 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -9.985 0.951 1.201 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.718 1.853 3.327 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.226 1.258 0.650 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.956 2.159 2.771 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.211 1.864 1.436 1.00 0.00 C ATOM 0 H PHE B 30 -7.807 0.118 5.298 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.133 -1.152 3.047 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.271 1.431 4.083 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.599 1.282 2.471 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.223 0.485 0.594 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.519 2.082 4.364 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.428 1.028 -0.386 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.719 2.626 3.376 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.172 2.104 1.005 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.882 -0.696 2.693 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.710 -1.199 1.902 1.00 0.00 C ATOM 1415 C ILE B 31 -4.534 -2.694 2.172 1.00 0.00 C ATOM 1416 O ILE B 31 -4.228 -3.453 1.278 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.498 -0.418 2.427 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.449 0.960 1.733 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.183 -1.201 2.174 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.014 1.396 1.535 1.00 0.00 C ATOM 0 H ILE B 31 -5.651 -0.004 3.405 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.837 -1.062 0.828 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.599 -0.281 3.504 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.957 0.908 0.770 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -3.981 1.697 2.335 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.339 -0.627 2.555 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.228 -2.163 2.685 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.057 -1.365 1.104 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -1.994 2.369 1.045 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.518 1.467 2.503 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.494 0.666 0.914 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.721 -3.106 3.410 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.564 -4.546 3.752 1.00 0.00 C ATOM 1434 C PHE B 32 -5.593 -5.370 2.944 1.00 0.00 C ATOM 1435 O PHE B 32 -5.251 -6.422 2.439 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.736 -4.637 5.284 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.417 -4.261 5.983 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.739 -3.029 5.698 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.842 -5.151 6.935 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.551 -2.732 6.333 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.645 -4.813 7.556 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.007 -3.619 7.255 1.00 0.00 C ATOM 0 H PHE B 32 -4.975 -2.501 4.191 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.591 -4.960 3.488 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.533 -3.969 5.609 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.032 -5.647 5.566 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.159 -2.334 4.986 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.333 -6.083 7.173 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.041 -1.806 6.113 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.208 -5.486 8.279 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.075 -3.375 7.743 1.00 0.00 H new ATOM 1452 N SER B 33 -6.815 -4.864 2.727 1.00 0.00 N ATOM 1453 CA SER B 33 -7.788 -5.618 1.849 1.00 0.00 C ATOM 1454 C SER B 33 -7.379 -5.419 0.365 1.00 0.00 C ATOM 1455 O SER B 33 -7.478 -6.334 -0.434 1.00 0.00 O ATOM 1456 CB SER B 33 -9.191 -5.060 2.146 1.00 0.00 C ATOM 1457 OG SER B 33 -9.282 -3.704 1.747 1.00 0.00 O ATOM 0 H SER B 33 -7.163 -3.986 3.113 1.00 0.00 H new ATOM 0 HA SER B 33 -7.783 -6.690 2.047 1.00 0.00 H new ATOM 0 HB2 SER B 33 -9.942 -5.650 1.621 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.405 -5.147 3.211 1.00 0.00 H new ATOM 0 HG SER B 33 -8.424 -3.258 1.905 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.856 -4.238 0.021 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.351 -3.958 -1.381 1.00 0.00 C ATOM 1465 C LEU B 34 -5.233 -4.962 -1.715 1.00 0.00 C ATOM 1466 O LEU B 34 -5.162 -5.482 -2.814 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.812 -2.504 -1.315 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.115 -2.086 -2.608 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.145 -1.710 -3.680 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.213 -0.875 -2.333 1.00 0.00 C ATOM 0 H LEU B 34 -6.760 -3.452 0.665 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.113 -4.061 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.637 -1.822 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.114 -2.415 -0.483 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.519 -2.925 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.628 -1.415 -4.593 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.785 -2.568 -3.886 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.754 -0.880 -3.324 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.715 -0.576 -3.255 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.818 -0.048 -1.962 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.465 -1.141 -1.586 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.382 -5.244 -0.747 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.275 -6.223 -0.941 1.00 0.00 C ATOM 1484 C TRP B 35 -3.814 -7.666 -1.086 1.00 0.00 C ATOM 1485 O TRP B 35 -3.352 -8.414 -1.926 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.423 -6.128 0.312 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.201 -6.930 0.071 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.956 -8.142 0.592 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.085 -6.623 -0.800 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.256 -8.584 0.129 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.838 -7.679 -0.724 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.220 -5.533 -1.622 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.021 -7.654 -1.438 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.411 -5.507 -2.344 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.309 -6.558 -2.247 1.00 0.00 C ATOM 0 H TRP B 35 -4.416 -4.825 0.182 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.716 -5.998 -1.850 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.167 -5.090 0.525 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.967 -6.506 1.177 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.607 -8.680 1.265 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.675 -9.477 0.387 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.472 -4.707 -1.697 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.716 -8.478 -1.369 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.635 -4.665 -2.982 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.236 -6.527 -2.801 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.775 -8.059 -0.252 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.336 -9.456 -0.317 1.00 0.00 C ATOM 1508 C ASP B 36 -5.947 -9.712 -1.689 1.00 0.00 C ATOM 1509 O ASP B 36 -5.667 -10.722 -2.313 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.426 -9.544 0.773 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.802 -9.693 2.170 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.915 -10.520 2.332 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.240 -8.992 3.067 1.00 0.00 O ATOM 0 H ASP B 36 -5.189 -7.466 0.467 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.557 -10.201 -0.156 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.048 -8.649 0.743 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.079 -10.393 0.571 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.756 -8.791 -2.174 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.358 -8.971 -3.514 1.00 0.00 C ATOM 1520 C ASP B 37 -7.406 -7.642 -4.277 1.00 0.00 C ATOM 1521 O ASP B 37 -8.417 -6.952 -4.261 1.00 0.00 O ATOM 1522 CB ASP B 37 -8.769 -9.545 -3.290 1.00 0.00 C ATOM 1523 CG ASP B 37 -8.738 -11.064 -3.498 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -8.847 -11.488 -4.639 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -8.602 -11.775 -2.518 1.00 0.00 O ATOM 0 H ASP B 37 -7.016 -7.931 -1.692 1.00 0.00 H new ATOM 0 HA ASP B 37 -6.762 -9.650 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.113 -9.311 -2.282 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.475 -9.086 -3.982 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.316 -7.338 -4.975 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.261 -6.106 -5.810 1.00 0.00 C ATOM 1532 C PRO B 38 -7.242 -6.189 -7.005 1.00 0.00 C ATOM 1533 O PRO B 38 -7.395 -5.223 -7.726 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.824 -6.041 -6.278 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.356 -7.456 -6.226 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.048 -8.079 -5.046 1.00 0.00 C ATOM 0 HA PRO B 38 -6.558 -5.215 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.752 -5.635 -7.287 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.224 -5.399 -5.633 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.605 -7.983 -7.147 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.273 -7.505 -6.113 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.212 -9.147 -5.192 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.465 -7.969 -4.132 1.00 0.00 H new ATOM 1544 N SER B 39 -7.953 -7.300 -7.196 1.00 0.00 N ATOM 1545 CA SER B 39 -8.980 -7.355 -8.294 1.00 0.00 C ATOM 1546 C SER B 39 -10.038 -6.272 -7.978 1.00 0.00 C ATOM 1547 O SER B 39 -10.552 -5.613 -8.862 1.00 0.00 O ATOM 1548 CB SER B 39 -9.596 -8.756 -8.222 1.00 0.00 C ATOM 1549 OG SER B 39 -9.779 -9.263 -9.538 1.00 0.00 O ATOM 0 H SER B 39 -7.861 -8.152 -6.643 1.00 0.00 H new ATOM 0 HA SER B 39 -8.571 -7.175 -9.288 1.00 0.00 H new ATOM 0 HB2 SER B 39 -8.947 -9.421 -7.652 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.552 -8.718 -7.700 1.00 0.00 H new ATOM 0 HG SER B 39 -8.993 -9.786 -9.799 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.298 -6.062 -6.688 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.253 -4.993 -6.233 1.00 0.00 C ATOM 1557 C GLN B 40 -10.483 -3.664 -5.996 1.00 0.00 C ATOM 1558 O GLN B 40 -11.028 -2.745 -5.430 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.836 -5.444 -4.866 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.046 -6.965 -4.750 1.00 0.00 C ATOM 1561 CD GLN B 40 -12.865 -7.520 -5.926 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -12.546 -8.683 -6.426 1.00 0.00 O flip ATOM 1563 NE2 GLN B 40 -13.806 -6.902 -6.385 1.00 0.00 N flip ATOM 0 H GLN B 40 -9.878 -6.599 -5.930 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.029 -4.843 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.166 -5.118 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.790 -4.942 -4.705 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.078 -7.464 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -12.556 -7.191 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -14.058 -5.993 -5.996 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.344 -7.292 -7.159 1.00 0.00 H new ATOM 1572 N SER B 41 -9.215 -3.572 -6.391 1.00 0.00 N ATOM 1573 CA SER B 41 -8.387 -2.330 -6.161 1.00 0.00 C ATOM 1574 C SER B 41 -9.056 -1.081 -6.751 1.00 0.00 C ATOM 1575 O SER B 41 -9.085 -0.046 -6.108 1.00 0.00 O ATOM 1576 CB SER B 41 -7.069 -2.611 -6.861 1.00 0.00 C ATOM 1577 OG SER B 41 -6.227 -1.475 -6.801 1.00 0.00 O ATOM 0 H SER B 41 -8.717 -4.322 -6.871 1.00 0.00 H new ATOM 0 HA SER B 41 -8.263 -2.124 -5.098 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.575 -3.463 -6.393 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.252 -2.881 -7.901 1.00 0.00 H new ATOM 0 HG SER B 41 -6.306 -0.965 -7.634 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.620 -1.181 -7.946 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.328 0.002 -8.544 1.00 0.00 C ATOM 1585 C ALA B 42 -11.503 0.372 -7.624 1.00 0.00 C ATOM 1586 O ALA B 42 -11.702 1.531 -7.296 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.828 -0.461 -9.920 1.00 0.00 C ATOM 0 H ALA B 42 -9.618 -2.023 -8.522 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.688 0.879 -8.648 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.355 0.358 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.979 -0.764 -10.532 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.506 -1.306 -9.796 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.241 -0.629 -7.166 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.364 -0.391 -6.218 1.00 0.00 C ATOM 1595 C ASN B 43 -12.825 0.075 -4.848 1.00 0.00 C ATOM 1596 O ASN B 43 -13.472 0.844 -4.180 1.00 0.00 O ATOM 1597 CB ASN B 43 -14.089 -1.740 -6.082 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.401 -1.545 -5.315 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -16.397 -1.146 -5.885 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.439 -1.796 -4.035 1.00 0.00 N ATOM 0 H ASN B 43 -12.100 -1.607 -7.420 1.00 0.00 H new ATOM 0 HA ASN B 43 -14.034 0.390 -6.578 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.292 -2.156 -7.069 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.453 -2.455 -5.559 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.305 -1.657 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.603 -2.131 -3.556 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.646 -0.389 -4.436 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.063 0.028 -3.109 1.00 0.00 C ATOM 1609 C LEU B 44 -10.716 1.511 -3.125 1.00 0.00 C ATOM 1610 O LEU B 44 -11.087 2.249 -2.240 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.801 -0.822 -2.946 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.117 -2.030 -2.073 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.391 -3.265 -2.611 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.667 -1.717 -0.643 1.00 0.00 C ATOM 0 H LEU B 44 -11.068 -1.039 -4.969 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.762 -0.121 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.440 -1.148 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -9.006 -0.230 -2.493 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.187 -2.239 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.621 -4.125 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.718 -3.464 -3.632 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.316 -3.087 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.884 -2.569 0.001 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.595 -1.518 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.201 -0.840 -0.277 1.00 0.00 H new ATOM 1626 N LEU B 45 -10.038 1.934 -4.152 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.674 3.376 -4.316 1.00 0.00 C ATOM 1628 C LEU B 45 -10.957 4.217 -4.291 1.00 0.00 C ATOM 1629 O LEU B 45 -11.042 5.212 -3.593 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.980 3.463 -5.688 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.826 4.925 -6.129 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -8.265 5.761 -4.979 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.880 4.991 -7.327 1.00 0.00 C ATOM 0 H LEU B 45 -9.711 1.329 -4.906 1.00 0.00 H new ATOM 0 HA LEU B 45 -9.023 3.748 -3.524 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.000 2.989 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.560 2.914 -6.430 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.801 5.324 -6.410 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -8.159 6.797 -5.300 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.945 5.713 -4.129 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.290 5.370 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.767 6.028 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.907 4.590 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.291 4.403 -8.148 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.966 3.783 -5.018 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.271 4.504 -5.017 1.00 0.00 C ATOM 1647 C ALA B 46 -13.880 4.421 -3.611 1.00 0.00 C ATOM 1648 O ALA B 46 -14.331 5.407 -3.075 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.139 3.742 -6.013 1.00 0.00 C ATOM 0 H ALA B 46 -11.934 2.955 -5.613 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.179 5.557 -5.284 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.122 4.210 -6.072 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.668 3.762 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.249 2.709 -5.684 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.850 3.239 -3.010 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.383 3.045 -1.624 1.00 0.00 C ATOM 1657 C GLU B 47 -13.656 3.986 -0.653 1.00 0.00 C ATOM 1658 O GLU B 47 -14.254 4.511 0.259 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.092 1.571 -1.268 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.059 1.101 -0.173 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.490 1.032 -0.729 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.724 0.240 -1.632 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.323 1.785 -0.253 1.00 0.00 O ATOM 0 H GLU B 47 -13.471 2.394 -3.437 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.448 3.267 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.199 0.945 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.062 1.466 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.756 0.121 0.195 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.022 1.785 0.674 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.376 4.216 -0.877 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.583 5.145 -0.006 1.00 0.00 C ATOM 1672 C ALA B 48 -12.107 6.577 -0.184 1.00 0.00 C ATOM 1673 O ALA B 48 -12.420 7.244 0.781 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.124 5.023 -0.495 1.00 0.00 C ATOM 0 H ALA B 48 -11.844 3.792 -1.637 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.662 4.900 1.053 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.485 5.677 0.099 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.789 3.992 -0.386 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.066 5.314 -1.544 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.229 7.031 -1.423 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.756 8.418 -1.696 1.00 0.00 C ATOM 1682 C LYS B 49 -14.211 8.549 -1.206 1.00 0.00 C ATOM 1683 O LYS B 49 -14.559 9.505 -0.542 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.695 8.595 -3.224 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.238 8.567 -3.708 1.00 0.00 C ATOM 1686 CD LYS B 49 -11.198 8.799 -5.222 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.787 8.503 -5.753 1.00 0.00 C ATOM 1688 NZ LYS B 49 -9.597 9.410 -6.925 1.00 0.00 N ATOM 0 H LYS B 49 -11.985 6.497 -2.257 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.171 9.176 -1.176 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.262 7.802 -3.711 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.161 9.539 -3.506 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -10.659 9.336 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.781 7.608 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.926 8.157 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.474 9.829 -5.450 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.034 8.689 -4.988 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.691 7.458 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.615 9.344 -7.260 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -10.243 9.129 -7.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.801 10.390 -6.642 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.051 7.580 -1.523 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.491 7.615 -1.078 1.00 0.00 C ATOM 1704 C LYS B 50 -16.582 7.540 0.455 1.00 0.00 C ATOM 1705 O LYS B 50 -17.376 8.238 1.061 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.160 6.393 -1.730 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.151 6.558 -3.261 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.866 5.377 -3.940 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.148 4.052 -3.618 1.00 0.00 C ATOM 1710 NZ LYS B 50 -18.183 3.162 -3.010 1.00 0.00 N ATOM 0 H LYS B 50 -14.797 6.761 -2.075 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.984 8.541 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.631 5.482 -1.449 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.184 6.291 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.642 7.492 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.123 6.622 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -18.901 5.328 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.890 5.531 -5.019 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -16.730 3.605 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.319 4.214 -2.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.759 2.239 -2.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -18.547 3.598 -2.138 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -18.965 3.029 -3.683 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.756 6.716 1.086 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.772 6.620 2.586 1.00 0.00 C ATOM 1726 C LEU B 51 -15.259 7.945 3.190 1.00 0.00 C ATOM 1727 O LEU B 51 -15.795 8.416 4.179 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.882 5.405 2.941 1.00 0.00 C ATOM 1729 CG LEU B 51 -15.113 4.917 4.397 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -16.533 5.239 4.899 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -14.920 3.393 4.454 1.00 0.00 C ATOM 0 H LEU B 51 -15.077 6.111 0.623 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.771 6.471 2.996 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.090 4.589 2.249 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.834 5.674 2.811 1.00 0.00 H new ATOM 0 HG LEU B 51 -14.396 5.435 5.033 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -16.648 4.879 5.921 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.692 6.317 4.874 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -17.266 4.749 4.257 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -15.081 3.044 5.474 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -15.636 2.910 3.788 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -13.907 3.143 4.140 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.264 8.579 2.567 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.767 9.913 3.059 1.00 0.00 C ATOM 1745 C ASN B 52 -14.923 10.923 3.032 1.00 0.00 C ATOM 1746 O ASN B 52 -15.034 11.768 3.899 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.600 10.294 2.096 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.912 11.386 1.017 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.722 12.272 1.183 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.237 11.393 -0.093 1.00 0.00 N ATOM 0 H ASN B 52 -13.783 8.222 1.742 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.408 9.895 4.088 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.760 10.640 2.698 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.273 9.390 1.582 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.399 12.126 -0.784 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.545 10.666 -0.274 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.778 10.830 2.019 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.927 11.773 1.889 1.00 0.00 C ATOM 1759 C ASP B 53 -17.897 11.623 3.077 1.00 0.00 C ATOM 1760 O ASP B 53 -18.523 12.581 3.495 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.630 11.387 0.582 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.596 12.502 0.160 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.149 13.432 -0.491 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.764 12.403 0.496 1.00 0.00 O ATOM 0 H ASP B 53 -15.716 10.131 1.279 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.591 12.810 1.883 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -16.892 11.217 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.175 10.452 0.714 1.00 0.00 H new ATOM 1769 N ALA B 54 -18.014 10.420 3.619 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.930 10.183 4.785 1.00 0.00 C ATOM 1771 C ALA B 54 -18.392 10.892 6.038 1.00 0.00 C ATOM 1772 O ALA B 54 -19.148 11.452 6.814 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.938 8.663 4.974 1.00 0.00 C ATOM 0 H ALA B 54 -17.510 9.594 3.298 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.933 10.575 4.615 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.587 8.404 5.811 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.308 8.185 4.067 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.925 8.317 5.179 1.00 0.00 H new ATOM 1779 N GLN B 55 -17.084 10.889 6.218 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.453 11.575 7.390 1.00 0.00 C ATOM 1781 C GLN B 55 -16.370 13.091 7.136 1.00 0.00 C ATOM 1782 O GLN B 55 -16.500 13.884 8.051 1.00 0.00 O ATOM 1783 CB GLN B 55 -15.050 10.961 7.480 1.00 0.00 C ATOM 1784 CG GLN B 55 -15.145 9.506 7.961 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.764 8.864 7.871 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -13.133 8.882 6.731 1.00 0.00 O flip ATOM 1787 NE2 GLN B 55 -13.252 8.347 8.843 1.00 0.00 N flip ATOM 0 H GLN B 55 -16.423 10.432 5.590 1.00 0.00 H new ATOM 0 HA GLN B 55 -17.020 11.444 8.312 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.564 11.000 6.505 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.434 11.541 8.167 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.510 9.472 8.987 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.858 8.953 7.350 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.748 8.334 9.734 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.326 7.926 8.768 1.00 0.00 H new ATOM 1796 N ALA B 56 -16.132 13.483 5.896 1.00 0.00 N ATOM 1797 CA ALA B 56 -16.006 14.933 5.543 1.00 0.00 C ATOM 1798 C ALA B 56 -16.385 15.170 4.068 1.00 0.00 C ATOM 1799 O ALA B 56 -16.235 14.284 3.258 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.525 15.215 5.745 1.00 0.00 C ATOM 0 H ALA B 56 -16.019 12.845 5.108 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.658 15.571 6.140 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.318 16.260 5.512 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.254 15.014 6.782 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.939 14.574 5.086 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.841 16.372 3.752 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.216 16.698 2.346 1.00 0.00 C ATOM 1808 C PRO B 57 -15.952 16.829 1.475 1.00 0.00 C ATOM 1809 O PRO B 57 -14.932 17.333 1.924 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.941 18.034 2.463 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.408 18.650 3.714 1.00 0.00 C ATOM 1812 CD PRO B 57 -17.047 17.521 4.647 1.00 0.00 C ATOM 0 HA PRO B 57 -17.832 15.931 1.877 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.747 18.667 1.597 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.021 17.894 2.520 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.535 19.265 3.498 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -18.153 19.303 4.169 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -16.147 17.748 5.219 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.842 17.329 5.367 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.016 16.387 0.239 1.00 0.00 N ATOM 1821 CA LYS B 58 -14.821 16.485 -0.675 1.00 0.00 C ATOM 1822 C LYS B 58 -14.603 17.941 -1.130 1.00 0.00 C ATOM 1823 O LYS B 58 -13.490 18.418 -0.983 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.130 15.584 -1.883 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.067 14.108 -1.474 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.301 13.230 -2.710 1.00 0.00 C ATOM 1827 CE LYS B 58 -15.450 11.761 -2.289 1.00 0.00 C ATOM 1828 NZ LYS B 58 -16.836 11.366 -2.688 1.00 0.00 N ATOM 1829 OXT LYS B 58 -15.548 18.553 -1.607 1.00 0.00 O ATOM 0 H LYS B 58 -16.843 15.962 -0.180 1.00 0.00 H new ATOM 0 HA LYS B 58 -13.909 16.170 -0.167 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.119 15.818 -2.276 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.415 15.778 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.097 13.882 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -15.820 13.896 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.197 13.559 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -14.467 13.335 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -14.707 11.135 -2.782 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.303 11.644 -1.215 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.113 10.505 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -17.497 12.135 -2.456 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -16.864 11.183 -3.711 1.00 0.00 H new TER 1843 LYS B 58