USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 ASN : amide:sc= -2.84 K(o=-5.3,f=-15!) USER MOD Set 1.2: B 26 GLN :FLIP amide:sc= -1.02 F(o=-6.7,f=-5.3) USER MOD Set 1.3: B 55 GLN : amide:sc= -1.47 K(o=-5.3,f=-6.7) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.27 K(o=-2.7,f=-7.5!) USER MOD Set 2.2: A 52 ASN : amide:sc= -1.45! C(o=-2.7!,f=-10!) USER MOD Set 3.1: A 14 TYR OH : rot -60:sc= 0.229 USER MOD Set 3.2: A 18 HIS :FLIP no HE2:sc= -22.7! C(o=-25!,f=-22!) USER MOD Set 4.1: A 3 ASN : amide:sc= 0 X(o=-0.41,f=-0.31) USER MOD Set 4.2: A 6 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.7) USER MOD Single : A 1 VAL N :NH3+ -158:sc= -0.0651 (180deg=-0.635) USER MOD Single : A 4 LYS NZ :NH3+ 143:sc= 0.27 (180deg=0.00125) USER MOD Single : A 7 LYS NZ :NH3+ -165:sc=-0.00408 (180deg=-0.0879) USER MOD Single : A 9 GLN : amide:sc= -1.79! C(o=-1.8!,f=-2.5!) USER MOD Single : A 10 GLN : amide:sc= -1.38 K(o=-1.4,f=-4.6!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.943 K(o=-0.94,f=-9.3!) USER MOD Single : A 26 GLN : amide:sc= -0.407 K(o=-0.41,f=-3.5!) USER MOD Single : A 28 ASN : amide:sc= -1.97 K(o=-2,f=-6!) USER MOD Single : A 32 GLN : amide:sc= -0.42 K(o=-0.42,f=-2.7) USER MOD Single : A 33 SER OG : rot 9:sc= 0.0511 USER MOD Single : A 35 LYS NZ :NH3+ -174:sc= -0.71 (180deg=-0.734) USER MOD Single : A 39 SER OG : rot -62:sc= 0.134 USER MOD Single : A 40 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 41 SER OG : rot -96:sc= 0.669 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 55 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.8!) USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= 0.128 (180deg=0.124) USER MOD Single : B 1 VAL N :NH3+ 174:sc= -0.552 (180deg=-0.736) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 177:sc= 0.42 (180deg=0.372) USER MOD Single : B 6 ASN : amide:sc= -1.82 K(o=-1.8,f=-5.3!) USER MOD Single : B 7 LYS NZ :NH3+ 172:sc= 0.144 (180deg=0.128) USER MOD Single : B 10 SER OG : rot -130:sc= -1.06 USER MOD Single : B 18 THR OG1 : rot -47:sc= 0.576 USER MOD Single : B 21 ASN : amide:sc= -2.41! C(o=-2.4!,f=-3.3!) USER MOD Single : B 27 LYS NZ :NH3+ -159:sc= 0.0105 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ -108:sc= 0.45 (180deg=-0.14) USER MOD Single : B 33 SER OG : rot -34:sc= -0.321! USER MOD Single : B 39 SER OG : rot 45:sc= 0.0188 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 101:sc= 0.667 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0158) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc=-0.00198 (180deg=-0.00198) USER MOD Single : B 52 ASN : amide:sc= -6.83! C(o=-6.8!,f=-17!) USER MOD Single : B 58 LYS NZ :NH3+ -174:sc= -0.372 (180deg=-0.415) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.385 -22.131 13.839 1.00 0.00 N ATOM 2 CA VAL A 1 6.233 -22.252 12.880 1.00 0.00 C ATOM 3 C VAL A 1 5.250 -21.085 13.100 1.00 0.00 C ATOM 4 O VAL A 1 4.622 -20.982 14.141 1.00 0.00 O ATOM 5 CB VAL A 1 5.561 -23.613 13.186 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.278 -23.766 12.354 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.516 -24.763 12.836 1.00 0.00 C ATOM 0 H1 VAL A 1 8.201 -22.659 13.469 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.641 -21.129 13.949 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.110 -22.522 14.763 1.00 0.00 H new ATOM 0 HA VAL A 1 6.558 -22.208 11.840 1.00 0.00 H new ATOM 0 HB VAL A 1 5.318 -23.646 14.248 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.813 -24.726 12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 1 3.586 -22.961 12.602 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.524 -23.719 11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.034 -25.716 13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.766 -24.718 11.776 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.427 -24.673 13.428 1.00 0.00 H new ATOM 19 N ASP A 2 5.128 -20.208 12.123 1.00 0.00 N ATOM 20 CA ASP A 2 4.198 -19.032 12.254 1.00 0.00 C ATOM 21 C ASP A 2 3.745 -18.526 10.865 1.00 0.00 C ATOM 22 O ASP A 2 4.253 -18.955 9.841 1.00 0.00 O ATOM 23 CB ASP A 2 5.005 -17.950 13.006 1.00 0.00 C ATOM 24 CG ASP A 2 6.218 -17.496 12.178 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.271 -18.099 12.318 1.00 0.00 O ATOM 26 OD2 ASP A 2 6.070 -16.554 11.422 1.00 0.00 O ATOM 0 H ASP A 2 5.634 -20.257 11.239 1.00 0.00 H new ATOM 0 HA ASP A 2 3.287 -19.297 12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.364 -17.094 13.218 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.341 -18.343 13.966 1.00 0.00 H new ATOM 31 N ASN A 3 2.793 -17.614 10.840 1.00 0.00 N ATOM 32 CA ASN A 3 2.283 -17.058 9.537 1.00 0.00 C ATOM 33 C ASN A 3 2.570 -15.543 9.441 1.00 0.00 C ATOM 34 O ASN A 3 1.699 -14.756 9.105 1.00 0.00 O ATOM 35 CB ASN A 3 0.770 -17.345 9.559 1.00 0.00 C ATOM 36 CG ASN A 3 0.518 -18.815 9.203 1.00 0.00 C ATOM 37 OD1 ASN A 3 0.474 -19.169 8.041 1.00 0.00 O ATOM 38 ND2 ASN A 3 0.360 -19.693 10.158 1.00 0.00 N ATOM 0 H ASN A 3 2.345 -17.229 11.672 1.00 0.00 H new ATOM 0 HA ASN A 3 2.768 -17.508 8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.363 -17.125 10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.256 -16.696 8.850 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.200 -20.674 9.928 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.397 -19.398 11.134 1.00 0.00 H new ATOM 45 N LYS A 4 3.792 -15.134 9.739 1.00 0.00 N ATOM 46 CA LYS A 4 4.155 -13.667 9.675 1.00 0.00 C ATOM 47 C LYS A 4 4.023 -13.099 8.251 1.00 0.00 C ATOM 48 O LYS A 4 3.498 -12.019 8.078 1.00 0.00 O ATOM 49 CB LYS A 4 5.620 -13.546 10.175 1.00 0.00 C ATOM 50 CG LYS A 4 6.587 -14.363 9.296 1.00 0.00 C ATOM 51 CD LYS A 4 7.979 -14.383 9.936 1.00 0.00 C ATOM 52 CE LYS A 4 8.890 -15.344 9.157 1.00 0.00 C ATOM 53 NZ LYS A 4 8.741 -16.673 9.825 1.00 0.00 N ATOM 0 H LYS A 4 4.553 -15.751 10.023 1.00 0.00 H new ATOM 0 HA LYS A 4 3.471 -13.088 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.921 -12.498 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.683 -13.893 11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.215 -15.381 9.180 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.642 -13.928 8.298 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.406 -13.380 9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.907 -14.697 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.597 -15.398 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.926 -15.007 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.763 -17.426 9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.521 -16.813 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.835 -16.706 10.334 1.00 0.00 H new ATOM 67 N PHE A 5 4.495 -13.809 7.240 1.00 0.00 N ATOM 68 CA PHE A 5 4.420 -13.297 5.827 1.00 0.00 C ATOM 69 C PHE A 5 2.980 -12.978 5.390 1.00 0.00 C ATOM 70 O PHE A 5 2.787 -12.132 4.537 1.00 0.00 O ATOM 71 CB PHE A 5 5.041 -14.389 4.936 1.00 0.00 C ATOM 72 CG PHE A 5 6.536 -14.543 5.214 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.288 -13.488 5.776 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.172 -15.751 4.902 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.653 -13.651 6.020 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.541 -15.910 5.149 1.00 0.00 C ATOM 77 CZ PHE A 5 9.280 -14.860 5.708 1.00 0.00 C ATOM 0 H PHE A 5 4.931 -14.726 7.337 1.00 0.00 H new ATOM 0 HA PHE A 5 4.961 -12.354 5.741 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.535 -15.338 5.113 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.887 -14.137 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.806 -12.552 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.605 -16.562 4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.225 -12.842 6.450 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.028 -16.844 4.908 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.336 -14.985 5.898 1.00 0.00 H new ATOM 87 N ASN A 6 1.976 -13.628 5.967 1.00 0.00 N ATOM 88 CA ASN A 6 0.552 -13.331 5.574 1.00 0.00 C ATOM 89 C ASN A 6 0.264 -11.823 5.724 1.00 0.00 C ATOM 90 O ASN A 6 -0.079 -11.174 4.755 1.00 0.00 O ATOM 91 CB ASN A 6 -0.329 -14.157 6.526 1.00 0.00 C ATOM 92 CG ASN A 6 -0.238 -15.643 6.156 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.680 -16.327 6.561 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.157 -16.177 5.397 1.00 0.00 N ATOM 0 H ASN A 6 2.085 -14.344 6.686 1.00 0.00 H new ATOM 0 HA ASN A 6 0.355 -13.590 4.534 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.006 -14.008 7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.364 -13.820 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.102 -17.164 5.147 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.930 -15.607 5.054 1.00 0.00 H new ATOM 101 N LYS A 7 0.447 -11.256 6.910 1.00 0.00 N ATOM 102 CA LYS A 7 0.221 -9.777 7.076 1.00 0.00 C ATOM 103 C LYS A 7 1.531 -8.980 6.913 1.00 0.00 C ATOM 104 O LYS A 7 1.474 -7.778 6.798 1.00 0.00 O ATOM 105 CB LYS A 7 -0.376 -9.560 8.474 1.00 0.00 C ATOM 106 CG LYS A 7 -0.678 -8.069 8.702 1.00 0.00 C ATOM 107 CD LYS A 7 0.400 -7.392 9.564 1.00 0.00 C ATOM 108 CE LYS A 7 0.568 -8.113 10.913 1.00 0.00 C ATOM 109 NZ LYS A 7 1.967 -8.647 10.909 1.00 0.00 N ATOM 0 H LYS A 7 0.738 -11.749 7.754 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.458 -9.416 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.291 -10.143 8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.320 -9.917 9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.746 -7.561 7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.649 -7.965 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.350 -7.391 9.029 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.130 -6.350 9.737 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.412 -7.428 11.746 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.159 -8.918 11.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.071 -9.353 11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.166 -9.091 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.637 -7.867 11.069 1.00 0.00 H new ATOM 123 N GLU A 8 2.705 -9.602 6.864 1.00 0.00 N ATOM 124 CA GLU A 8 3.949 -8.785 6.662 1.00 0.00 C ATOM 125 C GLU A 8 3.901 -8.191 5.270 1.00 0.00 C ATOM 126 O GLU A 8 4.222 -7.043 5.090 1.00 0.00 O ATOM 127 CB GLU A 8 5.162 -9.701 6.829 1.00 0.00 C ATOM 128 CG GLU A 8 5.465 -9.889 8.320 1.00 0.00 C ATOM 129 CD GLU A 8 5.810 -8.540 8.971 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.792 -7.934 8.565 1.00 0.00 O ATOM 131 OE2 GLU A 8 5.077 -8.129 9.856 1.00 0.00 O ATOM 0 H GLU A 8 2.845 -10.608 6.953 1.00 0.00 H new ATOM 0 HA GLU A 8 4.021 -7.977 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.968 -10.667 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.027 -9.271 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.603 -10.331 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.296 -10.583 8.444 1.00 0.00 H new ATOM 138 N GLN A 9 3.412 -8.943 4.300 1.00 0.00 N ATOM 139 CA GLN A 9 3.232 -8.384 2.932 1.00 0.00 C ATOM 140 C GLN A 9 2.209 -7.236 3.033 1.00 0.00 C ATOM 141 O GLN A 9 2.341 -6.228 2.394 1.00 0.00 O ATOM 142 CB GLN A 9 2.658 -9.506 2.066 1.00 0.00 C ATOM 143 CG GLN A 9 3.657 -10.645 1.879 1.00 0.00 C ATOM 144 CD GLN A 9 2.987 -11.746 1.054 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.901 -11.647 -0.154 1.00 0.00 O ATOM 146 NE2 GLN A 9 2.495 -12.796 1.657 1.00 0.00 N ATOM 0 H GLN A 9 3.133 -9.918 4.408 1.00 0.00 H new ATOM 0 HA GLN A 9 4.165 -8.014 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.749 -9.892 2.527 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.377 -9.106 1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.553 -10.284 1.373 1.00 0.00 H new ATOM 0 HG3 GLN A 9 3.972 -11.035 2.847 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.566 -12.882 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.040 -13.530 1.114 1.00 0.00 H new ATOM 155 N GLN A 10 1.205 -7.407 3.885 1.00 0.00 N ATOM 156 CA GLN A 10 0.155 -6.355 4.120 1.00 0.00 C ATOM 157 C GLN A 10 0.768 -5.124 4.804 1.00 0.00 C ATOM 158 O GLN A 10 0.571 -4.007 4.363 1.00 0.00 O ATOM 159 CB GLN A 10 -0.844 -7.025 5.071 1.00 0.00 C ATOM 160 CG GLN A 10 -2.249 -7.003 4.472 1.00 0.00 C ATOM 161 CD GLN A 10 -2.522 -8.294 3.677 1.00 0.00 C ATOM 162 OE1 GLN A 10 -1.826 -9.280 3.816 1.00 0.00 O ATOM 163 NE2 GLN A 10 -3.524 -8.341 2.845 1.00 0.00 N ATOM 0 H GLN A 10 1.073 -8.255 4.437 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.300 -6.013 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.540 -8.054 5.262 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -0.843 -6.509 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.987 -6.897 5.267 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.358 -6.138 3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.119 -7.522 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.714 -9.196 2.323 1.00 0.00 H new ATOM 172 N ASN A 11 1.506 -5.335 5.877 1.00 0.00 N ATOM 173 CA ASN A 11 2.147 -4.200 6.614 1.00 0.00 C ATOM 174 C ASN A 11 3.251 -3.589 5.758 1.00 0.00 C ATOM 175 O ASN A 11 3.342 -2.390 5.644 1.00 0.00 O ATOM 176 CB ASN A 11 2.740 -4.803 7.893 1.00 0.00 C ATOM 177 CG ASN A 11 3.058 -3.680 8.886 1.00 0.00 C ATOM 178 OD1 ASN A 11 2.168 -3.143 9.517 1.00 0.00 O ATOM 179 ND2 ASN A 11 4.295 -3.290 9.046 1.00 0.00 N ATOM 0 H ASN A 11 1.690 -6.257 6.273 1.00 0.00 H new ATOM 0 HA ASN A 11 1.430 -3.412 6.844 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.036 -5.507 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.645 -5.363 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.512 -2.537 9.699 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.044 -3.739 8.518 1.00 0.00 H new ATOM 186 N ALA A 12 4.073 -4.414 5.137 1.00 0.00 N ATOM 187 CA ALA A 12 5.160 -3.892 4.253 1.00 0.00 C ATOM 188 C ALA A 12 4.524 -3.148 3.084 1.00 0.00 C ATOM 189 O ALA A 12 4.946 -2.064 2.749 1.00 0.00 O ATOM 190 CB ALA A 12 5.927 -5.110 3.749 1.00 0.00 C ATOM 0 H ALA A 12 4.032 -5.431 5.209 1.00 0.00 H new ATOM 0 HA ALA A 12 5.826 -3.207 4.778 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.737 -4.785 3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.342 -5.655 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.252 -5.761 3.194 1.00 0.00 H new ATOM 196 N PHE A 13 3.475 -3.713 2.502 1.00 0.00 N ATOM 197 CA PHE A 13 2.755 -3.026 1.386 1.00 0.00 C ATOM 198 C PHE A 13 2.273 -1.672 1.897 1.00 0.00 C ATOM 199 O PHE A 13 2.613 -0.641 1.350 1.00 0.00 O ATOM 200 CB PHE A 13 1.546 -3.936 1.048 1.00 0.00 C ATOM 201 CG PHE A 13 0.583 -3.221 0.138 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.045 -2.615 -1.025 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.781 -3.203 0.443 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.152 -1.988 -1.878 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.678 -2.585 -0.422 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.210 -1.979 -1.578 1.00 0.00 C ATOM 0 H PHE A 13 3.094 -4.623 2.761 1.00 0.00 H new ATOM 0 HA PHE A 13 3.380 -2.865 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.895 -4.851 0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.037 -4.230 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.098 -2.633 -1.263 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.138 -3.669 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.510 -1.506 -2.776 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.734 -2.577 -0.194 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.904 -1.497 -2.250 1.00 0.00 H new ATOM 216 N TYR A 14 1.507 -1.693 2.967 1.00 0.00 N ATOM 217 CA TYR A 14 0.984 -0.441 3.575 1.00 0.00 C ATOM 218 C TYR A 14 2.123 0.543 3.890 1.00 0.00 C ATOM 219 O TYR A 14 2.075 1.679 3.488 1.00 0.00 O ATOM 220 CB TYR A 14 0.326 -0.891 4.865 1.00 0.00 C ATOM 221 CG TYR A 14 -0.297 0.299 5.522 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.550 0.746 5.106 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.370 0.948 6.565 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.126 1.821 5.717 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.210 2.051 7.181 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.462 2.497 6.759 1.00 0.00 C ATOM 227 OH TYR A 14 -2.039 3.599 7.374 1.00 0.00 O ATOM 0 H TYR A 14 1.222 -2.546 3.447 1.00 0.00 H new ATOM 0 HA TYR A 14 0.300 0.077 2.903 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.430 -1.649 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.063 -1.346 5.527 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.064 0.242 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.336 0.593 6.892 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.102 2.157 5.398 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.306 2.560 7.982 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.198 4.300 6.707 1.00 0.00 H new ATOM 237 N GLU A 15 3.146 0.100 4.598 1.00 0.00 N ATOM 238 CA GLU A 15 4.288 1.010 4.940 1.00 0.00 C ATOM 239 C GLU A 15 4.952 1.517 3.655 1.00 0.00 C ATOM 240 O GLU A 15 5.223 2.690 3.547 1.00 0.00 O ATOM 241 CB GLU A 15 5.262 0.182 5.789 1.00 0.00 C ATOM 242 CG GLU A 15 4.659 -0.113 7.180 1.00 0.00 C ATOM 243 CD GLU A 15 4.332 1.195 7.919 1.00 0.00 C ATOM 244 OE1 GLU A 15 5.240 1.989 8.123 1.00 0.00 O ATOM 245 OE2 GLU A 15 3.180 1.373 8.279 1.00 0.00 O ATOM 0 H GLU A 15 3.235 -0.853 4.951 1.00 0.00 H new ATOM 0 HA GLU A 15 3.958 1.889 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.490 -0.754 5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.203 0.721 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.754 -0.711 7.070 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.361 -0.703 7.769 1.00 0.00 H new ATOM 252 N ILE A 16 5.158 0.661 2.658 1.00 0.00 N ATOM 253 CA ILE A 16 5.744 1.141 1.348 1.00 0.00 C ATOM 254 C ILE A 16 4.875 2.299 0.811 1.00 0.00 C ATOM 255 O ILE A 16 5.387 3.337 0.426 1.00 0.00 O ATOM 256 CB ILE A 16 5.736 -0.101 0.418 1.00 0.00 C ATOM 257 CG1 ILE A 16 7.065 -0.842 0.610 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.571 0.289 -1.059 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.838 -2.345 0.558 1.00 0.00 C ATOM 0 H ILE A 16 4.947 -0.336 2.697 1.00 0.00 H new ATOM 0 HA ILE A 16 6.758 1.531 1.434 1.00 0.00 H new ATOM 0 HB ILE A 16 4.889 -0.734 0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.771 -0.546 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.509 -0.566 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.571 -0.610 -1.675 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.629 0.820 -1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.397 0.934 -1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.788 -2.861 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.149 -2.636 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.414 -2.616 -0.409 1.00 0.00 H new ATOM 271 N LEU A 17 3.568 2.124 0.823 1.00 0.00 N ATOM 272 CA LEU A 17 2.632 3.218 0.357 1.00 0.00 C ATOM 273 C LEU A 17 2.634 4.412 1.335 1.00 0.00 C ATOM 274 O LEU A 17 2.564 5.548 0.919 1.00 0.00 O ATOM 275 CB LEU A 17 1.218 2.614 0.349 1.00 0.00 C ATOM 276 CG LEU A 17 1.111 1.467 -0.652 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.398 0.298 -0.027 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.266 1.867 -1.827 1.00 0.00 C ATOM 0 H LEU A 17 3.105 1.270 1.135 1.00 0.00 H new ATOM 0 HA LEU A 17 2.946 3.576 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.969 2.253 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.491 3.387 0.099 1.00 0.00 H new ATOM 0 HG LEU A 17 2.127 1.213 -0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.328 -0.514 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.953 -0.042 0.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.604 0.602 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.202 1.036 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.735 2.129 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.716 2.727 -2.323 1.00 0.00 H new ATOM 290 N HIS A 18 2.675 4.154 2.630 1.00 0.00 N ATOM 291 CA HIS A 18 2.630 5.264 3.651 1.00 0.00 C ATOM 292 C HIS A 18 4.020 5.873 3.953 1.00 0.00 C ATOM 293 O HIS A 18 4.107 6.812 4.729 1.00 0.00 O ATOM 294 CB HIS A 18 2.017 4.629 4.917 1.00 0.00 C ATOM 295 CG HIS A 18 0.528 4.448 4.721 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.210 3.473 4.094 1.00 0.00 N flip ATOM 297 CD2 HIS A 18 -0.405 5.381 5.156 1.00 0.00 C flip ATOM 298 CE1 HIS A 18 -1.545 3.811 4.116 1.00 0.00 C flip ATOM 299 NE2 HIS A 18 -1.620 4.940 4.771 1.00 0.00 N flip ATOM 0 H HIS A 18 2.738 3.216 3.025 1.00 0.00 H new ATOM 0 HA HIS A 18 2.041 6.100 3.275 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.488 3.667 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.206 5.264 5.783 1.00 0.00 H new ATOM 0 HD1 HIS A 18 0.173 2.626 3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.196 6.290 5.701 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.363 3.256 3.681 1.00 0.00 H new ATOM 307 N LEU A 19 5.100 5.383 3.350 1.00 0.00 N ATOM 308 CA LEU A 19 6.452 5.990 3.624 1.00 0.00 C ATOM 309 C LEU A 19 6.491 7.413 3.020 1.00 0.00 C ATOM 310 O LEU A 19 6.188 7.587 1.850 1.00 0.00 O ATOM 311 CB LEU A 19 7.499 5.077 2.951 1.00 0.00 C ATOM 312 CG LEU A 19 7.959 3.970 3.923 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.881 2.990 3.191 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.716 4.578 5.111 1.00 0.00 C ATOM 0 H LEU A 19 5.098 4.603 2.693 1.00 0.00 H new ATOM 0 HA LEU A 19 6.657 6.068 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.074 4.627 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.357 5.670 2.634 1.00 0.00 H new ATOM 0 HG LEU A 19 7.077 3.446 4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.204 2.210 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.343 2.538 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.753 3.524 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.033 3.783 5.786 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.592 5.116 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.062 5.268 5.645 1.00 0.00 H new ATOM 326 N PRO A 20 6.826 8.392 3.849 1.00 0.00 N ATOM 327 CA PRO A 20 6.859 9.824 3.400 1.00 0.00 C ATOM 328 C PRO A 20 7.923 10.115 2.319 1.00 0.00 C ATOM 329 O PRO A 20 7.832 11.131 1.648 1.00 0.00 O ATOM 330 CB PRO A 20 7.166 10.595 4.689 1.00 0.00 C ATOM 331 CG PRO A 20 7.849 9.604 5.566 1.00 0.00 C ATOM 332 CD PRO A 20 7.212 8.277 5.270 1.00 0.00 C ATOM 0 HA PRO A 20 5.921 10.108 2.924 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.804 11.457 4.493 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.254 10.972 5.152 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.920 9.576 5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.731 9.867 6.617 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.907 7.453 5.432 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.347 8.095 5.908 1.00 0.00 H new ATOM 340 N ASN A 21 8.924 9.268 2.139 1.00 0.00 N ATOM 341 CA ASN A 21 9.968 9.551 1.099 1.00 0.00 C ATOM 342 C ASN A 21 9.886 8.556 -0.079 1.00 0.00 C ATOM 343 O ASN A 21 10.685 8.638 -1.001 1.00 0.00 O ATOM 344 CB ASN A 21 11.302 9.436 1.840 1.00 0.00 C ATOM 345 CG ASN A 21 11.369 10.475 2.965 1.00 0.00 C ATOM 346 OD1 ASN A 21 11.287 10.137 4.128 1.00 0.00 O ATOM 347 ND2 ASN A 21 11.518 11.730 2.668 1.00 0.00 N ATOM 0 H ASN A 21 9.057 8.404 2.664 1.00 0.00 H new ATOM 0 HA ASN A 21 9.835 10.535 0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.413 8.433 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.128 9.587 1.145 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.566 12.428 3.411 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.587 12.018 1.692 1.00 0.00 H new ATOM 354 N LEU A 22 8.917 7.646 -0.090 1.00 0.00 N ATOM 355 CA LEU A 22 8.793 6.698 -1.244 1.00 0.00 C ATOM 356 C LEU A 22 7.912 7.322 -2.326 1.00 0.00 C ATOM 357 O LEU A 22 6.950 8.020 -2.042 1.00 0.00 O ATOM 358 CB LEU A 22 8.154 5.392 -0.719 1.00 0.00 C ATOM 359 CG LEU A 22 9.177 4.506 0.030 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.733 3.045 -0.051 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.565 4.608 -0.600 1.00 0.00 C ATOM 0 H LEU A 22 8.220 7.528 0.646 1.00 0.00 H new ATOM 0 HA LEU A 22 9.771 6.487 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.328 5.636 -0.051 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.734 4.833 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 22 9.224 4.850 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.451 2.417 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.751 2.937 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.680 2.738 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.261 3.974 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.518 4.281 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.907 5.642 -0.560 1.00 0.00 H new ATOM 373 N ASN A 23 8.240 7.057 -3.564 1.00 0.00 N ATOM 374 CA ASN A 23 7.443 7.611 -4.713 1.00 0.00 C ATOM 375 C ASN A 23 6.808 6.471 -5.507 1.00 0.00 C ATOM 376 O ASN A 23 6.884 5.323 -5.119 1.00 0.00 O ATOM 377 CB ASN A 23 8.419 8.426 -5.592 1.00 0.00 C ATOM 378 CG ASN A 23 9.726 7.655 -5.847 1.00 0.00 C ATOM 379 OD1 ASN A 23 9.755 6.740 -6.636 1.00 0.00 O ATOM 380 ND2 ASN A 23 10.813 7.990 -5.200 1.00 0.00 N ATOM 0 H ASN A 23 9.033 6.475 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 23 6.633 8.249 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.943 8.662 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.644 9.375 -5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.681 7.479 -5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.792 8.762 -4.533 1.00 0.00 H new ATOM 387 N GLU A 24 6.170 6.785 -6.612 1.00 0.00 N ATOM 388 CA GLU A 24 5.508 5.716 -7.437 1.00 0.00 C ATOM 389 C GLU A 24 6.543 4.698 -7.943 1.00 0.00 C ATOM 390 O GLU A 24 6.257 3.525 -8.011 1.00 0.00 O ATOM 391 CB GLU A 24 4.829 6.444 -8.604 1.00 0.00 C ATOM 392 CG GLU A 24 3.919 5.466 -9.360 1.00 0.00 C ATOM 393 CD GLU A 24 3.277 6.161 -10.563 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.986 6.443 -11.515 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.078 6.392 -10.515 1.00 0.00 O ATOM 0 H GLU A 24 6.078 7.732 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 24 4.783 5.150 -6.852 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.245 7.286 -8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.582 6.852 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.497 4.605 -9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.144 5.089 -8.692 1.00 0.00 H new ATOM 402 N GLU A 25 7.744 5.134 -8.277 1.00 0.00 N ATOM 403 CA GLU A 25 8.793 4.167 -8.760 1.00 0.00 C ATOM 404 C GLU A 25 9.244 3.238 -7.612 1.00 0.00 C ATOM 405 O GLU A 25 9.317 2.039 -7.786 1.00 0.00 O ATOM 406 CB GLU A 25 9.964 5.040 -9.242 1.00 0.00 C ATOM 407 CG GLU A 25 11.054 4.158 -9.870 1.00 0.00 C ATOM 408 CD GLU A 25 12.313 4.993 -10.122 1.00 0.00 C ATOM 409 OE1 GLU A 25 12.970 5.353 -9.156 1.00 0.00 O ATOM 410 OE2 GLU A 25 12.608 5.252 -11.278 1.00 0.00 O ATOM 0 H GLU A 25 8.040 6.109 -8.236 1.00 0.00 H new ATOM 0 HA GLU A 25 8.415 3.524 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.609 5.768 -9.971 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.377 5.603 -8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.286 3.324 -9.208 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.695 3.732 -10.807 1.00 0.00 H new ATOM 417 N GLN A 26 9.545 3.789 -6.449 1.00 0.00 N ATOM 418 CA GLN A 26 10.003 2.943 -5.282 1.00 0.00 C ATOM 419 C GLN A 26 8.838 2.164 -4.661 1.00 0.00 C ATOM 420 O GLN A 26 8.931 0.965 -4.477 1.00 0.00 O ATOM 421 CB GLN A 26 10.597 3.925 -4.256 1.00 0.00 C ATOM 422 CG GLN A 26 11.811 4.667 -4.852 1.00 0.00 C ATOM 423 CD GLN A 26 12.900 3.677 -5.299 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.106 2.650 -4.685 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.619 3.945 -6.352 1.00 0.00 N ATOM 0 H GLN A 26 9.493 4.789 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 26 10.733 2.200 -5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.837 4.645 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.899 3.384 -3.360 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.491 5.269 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.221 5.354 -4.111 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.455 4.805 -6.876 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.346 3.295 -6.652 1.00 0.00 H new ATOM 434 N ARG A 27 7.753 2.838 -4.333 1.00 0.00 N ATOM 435 CA ARG A 27 6.573 2.150 -3.704 1.00 0.00 C ATOM 436 C ARG A 27 5.980 1.058 -4.629 1.00 0.00 C ATOM 437 O ARG A 27 5.727 -0.047 -4.188 1.00 0.00 O ATOM 438 CB ARG A 27 5.541 3.266 -3.481 1.00 0.00 C ATOM 439 CG ARG A 27 4.194 2.689 -3.015 1.00 0.00 C ATOM 440 CD ARG A 27 3.093 3.747 -3.174 1.00 0.00 C ATOM 441 NE ARG A 27 3.028 4.042 -4.646 1.00 0.00 N ATOM 442 CZ ARG A 27 3.049 5.285 -5.087 1.00 0.00 C ATOM 443 NH1 ARG A 27 3.874 6.166 -4.564 1.00 0.00 N ATOM 444 NH2 ARG A 27 2.251 5.640 -6.065 1.00 0.00 N ATOM 0 H ARG A 27 7.635 3.841 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 27 6.859 1.643 -2.782 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.916 3.969 -2.737 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.400 3.825 -4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.946 1.802 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.263 2.376 -1.973 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.136 3.376 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.327 4.646 -2.604 1.00 0.00 H new ATOM 0 HE ARG A 27 2.967 3.272 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.504 5.890 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.883 7.125 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.618 4.956 -6.481 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.263 6.600 -6.410 1.00 0.00 H new ATOM 458 N ASN A 28 5.747 1.364 -5.901 1.00 0.00 N ATOM 459 CA ASN A 28 5.160 0.341 -6.843 1.00 0.00 C ATOM 460 C ASN A 28 6.135 -0.815 -7.053 1.00 0.00 C ATOM 461 O ASN A 28 5.733 -1.961 -7.022 1.00 0.00 O ATOM 462 CB ASN A 28 4.917 1.078 -8.156 1.00 0.00 C ATOM 463 CG ASN A 28 4.207 0.175 -9.176 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.571 -0.802 -8.822 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.293 0.467 -10.441 1.00 0.00 N ATOM 0 H ASN A 28 5.938 2.274 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 28 4.240 -0.087 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.314 1.967 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.868 1.418 -8.567 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.829 -0.121 -11.133 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.825 1.284 -10.741 1.00 0.00 H new ATOM 472 N ALA A 29 7.412 -0.520 -7.230 1.00 0.00 N ATOM 473 CA ALA A 29 8.433 -1.611 -7.397 1.00 0.00 C ATOM 474 C ALA A 29 8.383 -2.526 -6.181 1.00 0.00 C ATOM 475 O ALA A 29 8.486 -3.733 -6.297 1.00 0.00 O ATOM 476 CB ALA A 29 9.771 -0.906 -7.422 1.00 0.00 C ATOM 0 H ALA A 29 7.786 0.428 -7.265 1.00 0.00 H new ATOM 0 HA ALA A 29 8.259 -2.205 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.567 -1.641 -7.542 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.797 -0.204 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.915 -0.365 -6.487 1.00 0.00 H new ATOM 482 N PHE A 30 8.188 -1.938 -5.018 1.00 0.00 N ATOM 483 CA PHE A 30 8.078 -2.733 -3.769 1.00 0.00 C ATOM 484 C PHE A 30 6.846 -3.591 -3.822 1.00 0.00 C ATOM 485 O PHE A 30 6.911 -4.751 -3.537 1.00 0.00 O ATOM 486 CB PHE A 30 7.986 -1.714 -2.643 1.00 0.00 C ATOM 487 CG PHE A 30 9.379 -1.261 -2.276 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.470 -2.130 -2.437 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.580 0.011 -1.748 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.733 -1.733 -2.079 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.859 0.404 -1.376 1.00 0.00 C ATOM 492 CZ PHE A 30 11.935 -0.481 -1.544 1.00 0.00 C ATOM 0 H PHE A 30 8.101 -0.930 -4.891 1.00 0.00 H new ATOM 0 HA PHE A 30 8.927 -3.401 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.383 -0.861 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.492 -2.154 -1.776 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.314 -3.117 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.747 0.688 -1.628 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.569 -2.403 -2.217 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.025 1.386 -0.959 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.929 -0.177 -1.251 1.00 0.00 H new ATOM 502 N ILE A 31 5.744 -3.038 -4.234 1.00 0.00 N ATOM 503 CA ILE A 31 4.500 -3.843 -4.372 1.00 0.00 C ATOM 504 C ILE A 31 4.711 -4.912 -5.465 1.00 0.00 C ATOM 505 O ILE A 31 4.146 -5.975 -5.385 1.00 0.00 O ATOM 506 CB ILE A 31 3.415 -2.821 -4.707 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.255 -1.890 -3.499 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.109 -3.538 -4.965 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.592 -0.593 -3.918 1.00 0.00 C ATOM 0 H ILE A 31 5.649 -2.054 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 31 4.219 -4.398 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 31 3.689 -2.252 -5.595 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.657 -2.380 -2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.231 -1.682 -3.060 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.335 -2.809 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.231 -4.226 -5.802 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.819 -4.097 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.485 0.058 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.206 -0.097 -4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.608 -0.806 -4.335 1.00 0.00 H new ATOM 521 N GLN A 32 5.569 -4.664 -6.453 1.00 0.00 N ATOM 522 CA GLN A 32 5.852 -5.716 -7.491 1.00 0.00 C ATOM 523 C GLN A 32 6.703 -6.833 -6.848 1.00 0.00 C ATOM 524 O GLN A 32 6.384 -7.998 -6.964 1.00 0.00 O ATOM 525 CB GLN A 32 6.598 -4.991 -8.623 1.00 0.00 C ATOM 526 CG GLN A 32 5.616 -4.077 -9.369 1.00 0.00 C ATOM 527 CD GLN A 32 6.368 -3.204 -10.378 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.729 -2.084 -10.077 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.621 -3.669 -11.573 1.00 0.00 N ATOM 0 H GLN A 32 6.075 -3.787 -6.576 1.00 0.00 H new ATOM 0 HA GLN A 32 4.953 -6.191 -7.883 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.421 -4.405 -8.215 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.033 -5.716 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.868 -4.679 -9.885 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.083 -3.446 -8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.319 -4.609 -11.829 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.120 -3.092 -12.250 1.00 0.00 H new ATOM 538 N SER A 33 7.748 -6.470 -6.117 1.00 0.00 N ATOM 539 CA SER A 33 8.599 -7.491 -5.392 1.00 0.00 C ATOM 540 C SER A 33 7.827 -8.097 -4.194 1.00 0.00 C ATOM 541 O SER A 33 8.074 -9.217 -3.794 1.00 0.00 O ATOM 542 CB SER A 33 9.845 -6.726 -4.917 1.00 0.00 C ATOM 543 OG SER A 33 9.455 -5.547 -4.228 1.00 0.00 O ATOM 0 H SER A 33 8.049 -5.503 -5.992 1.00 0.00 H new ATOM 0 HA SER A 33 8.867 -8.327 -6.038 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.443 -7.359 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.472 -6.468 -5.771 1.00 0.00 H new ATOM 0 HG SER A 33 8.486 -5.558 -4.084 1.00 0.00 H new ATOM 549 N LEU A 34 6.902 -7.346 -3.631 1.00 0.00 N ATOM 550 CA LEU A 34 6.083 -7.807 -2.458 1.00 0.00 C ATOM 551 C LEU A 34 4.919 -8.703 -2.931 1.00 0.00 C ATOM 552 O LEU A 34 4.690 -9.761 -2.371 1.00 0.00 O ATOM 553 CB LEU A 34 5.589 -6.484 -1.842 1.00 0.00 C ATOM 554 CG LEU A 34 4.891 -6.684 -0.501 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.904 -7.028 0.569 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.205 -5.379 -0.111 1.00 0.00 C ATOM 0 H LEU A 34 6.675 -6.403 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 34 6.635 -8.416 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.436 -5.811 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.902 -5.999 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 34 4.168 -7.495 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.393 -7.168 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.423 -7.947 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.626 -6.217 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.700 -5.505 0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.950 -4.587 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.474 -5.110 -0.873 1.00 0.00 H new ATOM 568 N LYS A 35 4.194 -8.289 -3.969 1.00 0.00 N ATOM 569 CA LYS A 35 3.052 -9.123 -4.501 1.00 0.00 C ATOM 570 C LYS A 35 3.594 -10.448 -5.074 1.00 0.00 C ATOM 571 O LYS A 35 2.961 -11.481 -4.949 1.00 0.00 O ATOM 572 CB LYS A 35 2.343 -8.284 -5.608 1.00 0.00 C ATOM 573 CG LYS A 35 1.469 -7.185 -5.017 1.00 0.00 C ATOM 574 CD LYS A 35 0.295 -7.811 -4.252 1.00 0.00 C ATOM 575 CE LYS A 35 -0.809 -8.160 -5.236 1.00 0.00 C ATOM 576 NZ LYS A 35 -1.702 -9.118 -4.516 1.00 0.00 N ATOM 0 H LYS A 35 4.349 -7.411 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 35 2.344 -9.373 -3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.093 -7.839 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.731 -8.941 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.059 -6.559 -4.348 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.095 -6.539 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.625 -8.706 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.077 -7.116 -3.500 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.357 -7.269 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.400 -8.610 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.426 -9.477 -5.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.138 -9.913 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.164 -8.632 -3.721 1.00 0.00 H new ATOM 590 N ASP A 36 4.771 -10.419 -5.684 1.00 0.00 N ATOM 591 CA ASP A 36 5.377 -11.671 -6.256 1.00 0.00 C ATOM 592 C ASP A 36 6.160 -12.466 -5.183 1.00 0.00 C ATOM 593 O ASP A 36 6.093 -13.682 -5.161 1.00 0.00 O ATOM 594 CB ASP A 36 6.313 -11.197 -7.381 1.00 0.00 C ATOM 595 CG ASP A 36 5.489 -10.818 -8.622 1.00 0.00 C ATOM 596 OD1 ASP A 36 4.907 -9.743 -8.630 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.453 -11.611 -9.547 1.00 0.00 O ATOM 0 H ASP A 36 5.334 -9.577 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 36 4.608 -12.349 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.895 -10.339 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.023 -11.985 -7.632 1.00 0.00 H new ATOM 602 N ASP A 37 6.897 -11.797 -4.302 1.00 0.00 N ATOM 603 CA ASP A 37 7.679 -12.531 -3.242 1.00 0.00 C ATOM 604 C ASP A 37 7.116 -12.240 -1.832 1.00 0.00 C ATOM 605 O ASP A 37 7.353 -11.175 -1.282 1.00 0.00 O ATOM 606 CB ASP A 37 9.131 -12.032 -3.360 1.00 0.00 C ATOM 607 CG ASP A 37 10.091 -13.113 -2.839 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.045 -13.408 -1.653 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.855 -13.629 -3.637 1.00 0.00 O ATOM 0 H ASP A 37 6.986 -10.781 -4.276 1.00 0.00 H new ATOM 0 HA ASP A 37 7.614 -13.610 -3.385 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.362 -11.796 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.258 -11.112 -2.789 1.00 0.00 H new ATOM 614 N PRO A 38 6.385 -13.206 -1.292 1.00 0.00 N ATOM 615 CA PRO A 38 5.788 -13.061 0.071 1.00 0.00 C ATOM 616 C PRO A 38 6.858 -13.076 1.187 1.00 0.00 C ATOM 617 O PRO A 38 6.754 -12.335 2.148 1.00 0.00 O ATOM 618 CB PRO A 38 4.873 -14.283 0.182 1.00 0.00 C ATOM 619 CG PRO A 38 5.460 -15.287 -0.747 1.00 0.00 C ATOM 620 CD PRO A 38 6.038 -14.510 -1.889 1.00 0.00 C ATOM 0 HA PRO A 38 5.269 -12.110 0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.841 -14.661 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.849 -14.037 -0.098 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.229 -15.876 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.700 -15.986 -1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.915 -15.005 -2.305 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.319 -14.399 -2.701 1.00 0.00 H new ATOM 628 N SER A 39 7.864 -13.926 1.072 1.00 0.00 N ATOM 629 CA SER A 39 8.937 -14.016 2.131 1.00 0.00 C ATOM 630 C SER A 39 9.793 -12.740 2.207 1.00 0.00 C ATOM 631 O SER A 39 10.227 -12.358 3.280 1.00 0.00 O ATOM 632 CB SER A 39 9.808 -15.216 1.738 1.00 0.00 C ATOM 633 OG SER A 39 9.024 -16.403 1.768 1.00 0.00 O ATOM 0 H SER A 39 7.988 -14.564 0.286 1.00 0.00 H new ATOM 0 HA SER A 39 8.488 -14.132 3.117 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.223 -15.067 0.741 1.00 0.00 H new ATOM 0 HB3 SER A 39 10.651 -15.307 2.423 1.00 0.00 H new ATOM 0 HG SER A 39 8.705 -16.561 2.681 1.00 0.00 H new ATOM 639 N GLN A 40 10.040 -12.076 1.089 1.00 0.00 N ATOM 640 CA GLN A 40 10.872 -10.825 1.117 1.00 0.00 C ATOM 641 C GLN A 40 10.052 -9.602 1.573 1.00 0.00 C ATOM 642 O GLN A 40 10.579 -8.516 1.610 1.00 0.00 O ATOM 643 CB GLN A 40 11.344 -10.613 -0.333 1.00 0.00 C ATOM 644 CG GLN A 40 12.710 -9.919 -0.334 1.00 0.00 C ATOM 645 CD GLN A 40 12.973 -9.285 -1.705 1.00 0.00 C ATOM 646 OE1 GLN A 40 12.963 -9.961 -2.716 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.223 -8.006 -1.784 1.00 0.00 N ATOM 0 H GLN A 40 9.701 -12.348 0.166 1.00 0.00 H new ATOM 0 HA GLN A 40 11.697 -10.929 1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.412 -11.571 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.618 -10.009 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.739 -9.154 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.494 -10.640 -0.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.232 -7.435 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.409 -7.578 -2.691 1.00 0.00 H new ATOM 656 N SER A 41 8.773 -9.755 1.888 1.00 0.00 N ATOM 657 CA SER A 41 7.931 -8.570 2.289 1.00 0.00 C ATOM 658 C SER A 41 8.523 -7.764 3.453 1.00 0.00 C ATOM 659 O SER A 41 8.591 -6.553 3.361 1.00 0.00 O ATOM 660 CB SER A 41 6.559 -9.141 2.670 1.00 0.00 C ATOM 661 OG SER A 41 6.680 -10.009 3.796 1.00 0.00 O ATOM 0 H SER A 41 8.281 -10.648 1.883 1.00 0.00 H new ATOM 0 HA SER A 41 7.875 -7.863 1.461 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.871 -8.328 2.901 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.137 -9.686 1.826 1.00 0.00 H new ATOM 0 HG SER A 41 6.743 -10.937 3.488 1.00 0.00 H new ATOM 667 N ALA A 42 8.964 -8.391 4.530 1.00 0.00 N ATOM 668 CA ALA A 42 9.568 -7.584 5.651 1.00 0.00 C ATOM 669 C ALA A 42 10.801 -6.847 5.132 1.00 0.00 C ATOM 670 O ALA A 42 10.934 -5.656 5.317 1.00 0.00 O ATOM 671 CB ALA A 42 10.015 -8.568 6.695 1.00 0.00 C ATOM 0 H ALA A 42 8.933 -9.400 4.679 1.00 0.00 H new ATOM 0 HA ALA A 42 8.852 -6.864 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.462 -8.032 7.532 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.157 -9.140 7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.751 -9.246 6.264 1.00 0.00 H new ATOM 677 N ASN A 43 11.679 -7.564 4.441 1.00 0.00 N ATOM 678 CA ASN A 43 12.893 -6.929 3.837 1.00 0.00 C ATOM 679 C ASN A 43 12.456 -5.818 2.904 1.00 0.00 C ATOM 680 O ASN A 43 13.079 -4.797 2.850 1.00 0.00 O ATOM 681 CB ASN A 43 13.563 -8.006 2.998 1.00 0.00 C ATOM 682 CG ASN A 43 14.620 -8.741 3.824 1.00 0.00 C ATOM 683 OD1 ASN A 43 14.450 -9.898 4.155 1.00 0.00 O ATOM 684 ND2 ASN A 43 15.716 -8.120 4.177 1.00 0.00 N ATOM 0 H ASN A 43 11.596 -8.567 4.275 1.00 0.00 H new ATOM 0 HA ASN A 43 13.555 -6.528 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.816 -8.714 2.638 1.00 0.00 H new ATOM 0 HB3 ASN A 43 14.026 -7.557 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 43 16.423 -8.607 4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 43 15.863 -7.149 3.902 1.00 0.00 H new ATOM 691 N LEU A 44 11.369 -6.031 2.184 1.00 0.00 N ATOM 692 CA LEU A 44 10.839 -4.995 1.252 1.00 0.00 C ATOM 693 C LEU A 44 10.414 -3.790 2.015 1.00 0.00 C ATOM 694 O LEU A 44 10.729 -2.683 1.625 1.00 0.00 O ATOM 695 CB LEU A 44 9.665 -5.621 0.540 1.00 0.00 C ATOM 696 CG LEU A 44 10.219 -6.499 -0.549 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.064 -7.211 -1.226 1.00 0.00 C ATOM 698 CD2 LEU A 44 11.002 -5.610 -1.520 1.00 0.00 C ATOM 0 H LEU A 44 10.826 -6.894 2.210 1.00 0.00 H new ATOM 0 HA LEU A 44 11.598 -4.674 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.061 -6.205 1.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.015 -4.853 0.121 1.00 0.00 H new ATOM 0 HG LEU A 44 10.896 -7.259 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.447 -7.853 -2.019 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.531 -7.818 -0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.382 -6.475 -1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.415 -6.222 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.335 -4.859 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.813 -5.115 -0.986 1.00 0.00 H new ATOM 710 N LEU A 45 9.756 -3.976 3.131 1.00 0.00 N ATOM 711 CA LEU A 45 9.419 -2.786 3.924 1.00 0.00 C ATOM 712 C LEU A 45 10.731 -2.221 4.450 1.00 0.00 C ATOM 713 O LEU A 45 10.979 -1.078 4.281 1.00 0.00 O ATOM 714 CB LEU A 45 8.502 -3.226 5.046 1.00 0.00 C ATOM 715 CG LEU A 45 8.387 -2.116 6.100 1.00 0.00 C ATOM 716 CD1 LEU A 45 8.097 -0.765 5.421 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.255 -2.470 7.059 1.00 0.00 C ATOM 0 H LEU A 45 9.452 -4.874 3.507 1.00 0.00 H new ATOM 0 HA LEU A 45 8.906 -2.016 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.516 -3.464 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.888 -4.136 5.506 1.00 0.00 H new ATOM 0 HG LEU A 45 9.326 -2.031 6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.018 0.014 6.179 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.908 -0.522 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.160 -0.829 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.161 -1.690 7.814 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.320 -2.552 6.504 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.474 -3.421 7.545 1.00 0.00 H new ATOM 729 N ALA A 46 11.588 -3.035 5.040 1.00 0.00 N ATOM 730 CA ALA A 46 12.914 -2.517 5.539 1.00 0.00 C ATOM 731 C ALA A 46 13.672 -1.764 4.446 1.00 0.00 C ATOM 732 O ALA A 46 14.202 -0.715 4.705 1.00 0.00 O ATOM 733 CB ALA A 46 13.732 -3.748 5.880 1.00 0.00 C ATOM 0 H ALA A 46 11.427 -4.030 5.197 1.00 0.00 H new ATOM 0 HA ALA A 46 12.754 -1.840 6.378 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.711 -3.443 6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.217 -4.326 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.856 -4.361 4.987 1.00 0.00 H new ATOM 739 N GLU A 47 13.719 -2.285 3.230 1.00 0.00 N ATOM 740 CA GLU A 47 14.430 -1.553 2.138 1.00 0.00 C ATOM 741 C GLU A 47 13.605 -0.313 1.788 1.00 0.00 C ATOM 742 O GLU A 47 14.164 0.734 1.562 1.00 0.00 O ATOM 743 CB GLU A 47 14.661 -2.514 0.961 1.00 0.00 C ATOM 744 CG GLU A 47 13.389 -3.099 0.415 1.00 0.00 C ATOM 745 CD GLU A 47 13.752 -4.291 -0.485 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.855 -5.392 0.038 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.943 -4.088 -1.670 1.00 0.00 O ATOM 0 H GLU A 47 13.299 -3.174 2.958 1.00 0.00 H new ATOM 0 HA GLU A 47 15.418 -1.205 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.181 -1.983 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.316 -3.323 1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.740 -3.422 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.839 -2.348 -0.153 1.00 0.00 H new ATOM 754 N ALA A 48 12.278 -0.393 1.826 1.00 0.00 N ATOM 755 CA ALA A 48 11.457 0.828 1.607 1.00 0.00 C ATOM 756 C ALA A 48 11.705 1.821 2.777 1.00 0.00 C ATOM 757 O ALA A 48 11.822 3.013 2.570 1.00 0.00 O ATOM 758 CB ALA A 48 10.028 0.306 1.630 1.00 0.00 C ATOM 0 H ALA A 48 11.750 -1.248 1.998 1.00 0.00 H new ATOM 0 HA ALA A 48 11.687 1.358 0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.336 1.134 1.476 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.896 -0.429 0.836 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.827 -0.161 2.594 1.00 0.00 H new ATOM 764 N LYS A 49 11.848 1.298 3.994 1.00 0.00 N ATOM 765 CA LYS A 49 12.159 2.123 5.210 1.00 0.00 C ATOM 766 C LYS A 49 13.569 2.697 5.031 1.00 0.00 C ATOM 767 O LYS A 49 13.844 3.850 5.311 1.00 0.00 O ATOM 768 CB LYS A 49 12.145 1.107 6.377 1.00 0.00 C ATOM 769 CG LYS A 49 10.727 0.593 6.665 1.00 0.00 C ATOM 770 CD LYS A 49 9.803 1.737 7.041 1.00 0.00 C ATOM 771 CE LYS A 49 10.203 2.275 8.411 1.00 0.00 C ATOM 772 NZ LYS A 49 9.538 3.606 8.534 1.00 0.00 N ATOM 0 H LYS A 49 11.757 0.301 4.187 1.00 0.00 H new ATOM 0 HA LYS A 49 11.463 2.945 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.795 0.266 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.551 1.576 7.273 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.337 0.079 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.757 -0.136 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.863 2.529 6.294 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.769 1.394 7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.880 1.602 9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.286 2.370 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.774 4.028 9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.869 4.231 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.507 3.487 8.461 1.00 0.00 H new ATOM 786 N LYS A 50 14.436 1.858 4.505 1.00 0.00 N ATOM 787 CA LYS A 50 15.849 2.222 4.191 1.00 0.00 C ATOM 788 C LYS A 50 15.840 3.317 3.112 1.00 0.00 C ATOM 789 O LYS A 50 16.602 4.263 3.171 1.00 0.00 O ATOM 790 CB LYS A 50 16.436 0.884 3.688 1.00 0.00 C ATOM 791 CG LYS A 50 17.642 1.059 2.758 1.00 0.00 C ATOM 792 CD LYS A 50 17.677 -0.132 1.782 1.00 0.00 C ATOM 793 CE LYS A 50 18.093 -1.409 2.528 1.00 0.00 C ATOM 794 NZ LYS A 50 18.294 -2.444 1.469 1.00 0.00 N ATOM 0 H LYS A 50 14.203 0.892 4.273 1.00 0.00 H new ATOM 0 HA LYS A 50 16.430 2.625 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.733 0.281 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.659 0.330 3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.565 1.998 2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.565 1.103 3.337 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.696 -0.270 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.378 0.071 0.972 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.008 -1.249 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.324 -1.717 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.580 -3.341 1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.406 -2.583 0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.037 -2.129 0.813 1.00 0.00 H new ATOM 808 N LEU A 51 14.940 3.195 2.149 1.00 0.00 N ATOM 809 CA LEU A 51 14.811 4.223 1.070 1.00 0.00 C ATOM 810 C LEU A 51 14.243 5.516 1.649 1.00 0.00 C ATOM 811 O LEU A 51 14.590 6.593 1.219 1.00 0.00 O ATOM 812 CB LEU A 51 13.820 3.635 0.060 1.00 0.00 C ATOM 813 CG LEU A 51 14.540 3.050 -1.158 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.832 2.331 -0.758 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.617 2.047 -1.823 1.00 0.00 C ATOM 0 H LEU A 51 14.287 2.415 2.072 1.00 0.00 H new ATOM 0 HA LEU A 51 15.774 4.454 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.227 2.857 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 51 13.126 4.411 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 51 14.797 3.867 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.315 1.929 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.504 3.036 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.598 1.516 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.112 1.618 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.373 1.253 -1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.701 2.548 -2.136 1.00 0.00 H new ATOM 827 N ASN A 52 13.367 5.400 2.622 1.00 0.00 N ATOM 828 CA ASN A 52 12.752 6.602 3.256 1.00 0.00 C ATOM 829 C ASN A 52 13.846 7.509 3.851 1.00 0.00 C ATOM 830 O ASN A 52 13.798 8.713 3.703 1.00 0.00 O ATOM 831 CB ASN A 52 11.834 6.042 4.350 1.00 0.00 C ATOM 832 CG ASN A 52 10.888 7.132 4.838 1.00 0.00 C ATOM 833 OD1 ASN A 52 9.950 7.485 4.158 1.00 0.00 O ATOM 834 ND2 ASN A 52 11.101 7.683 5.997 1.00 0.00 N ATOM 0 H ASN A 52 13.051 4.509 3.005 1.00 0.00 H new ATOM 0 HA ASN A 52 12.199 7.216 2.545 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.263 5.199 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.431 5.667 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.477 8.415 6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 52 11.892 7.383 6.567 1.00 0.00 H new ATOM 841 N ASP A 53 14.842 6.924 4.492 1.00 0.00 N ATOM 842 CA ASP A 53 15.969 7.729 5.077 1.00 0.00 C ATOM 843 C ASP A 53 17.027 8.048 4.000 1.00 0.00 C ATOM 844 O ASP A 53 17.543 9.150 3.949 1.00 0.00 O ATOM 845 CB ASP A 53 16.559 6.841 6.172 1.00 0.00 C ATOM 846 CG ASP A 53 17.571 7.628 7.011 1.00 0.00 C ATOM 847 OD1 ASP A 53 18.739 7.629 6.652 1.00 0.00 O ATOM 848 OD2 ASP A 53 17.165 8.210 8.002 1.00 0.00 O ATOM 0 H ASP A 53 14.920 5.917 4.634 1.00 0.00 H new ATOM 0 HA ASP A 53 15.629 8.688 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 53 15.761 6.464 6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 53 17.045 5.974 5.724 1.00 0.00 H new ATOM 853 N ALA A 54 17.346 7.089 3.145 1.00 0.00 N ATOM 854 CA ALA A 54 18.368 7.324 2.059 1.00 0.00 C ATOM 855 C ALA A 54 17.860 8.394 1.073 1.00 0.00 C ATOM 856 O ALA A 54 18.595 9.285 0.689 1.00 0.00 O ATOM 857 CB ALA A 54 18.531 5.975 1.354 1.00 0.00 C ATOM 0 H ALA A 54 16.941 6.153 3.154 1.00 0.00 H new ATOM 0 HA ALA A 54 19.315 7.685 2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.261 6.070 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.875 5.229 2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.573 5.663 0.938 1.00 0.00 H new ATOM 863 N GLN A 55 16.595 8.318 0.700 1.00 0.00 N ATOM 864 CA GLN A 55 15.995 9.338 -0.228 1.00 0.00 C ATOM 865 C GLN A 55 15.411 10.530 0.575 1.00 0.00 C ATOM 866 O GLN A 55 14.805 11.420 -0.002 1.00 0.00 O ATOM 867 CB GLN A 55 14.863 8.612 -0.973 1.00 0.00 C ATOM 868 CG GLN A 55 15.405 7.395 -1.743 1.00 0.00 C ATOM 869 CD GLN A 55 14.247 6.697 -2.465 1.00 0.00 C ATOM 870 OE1 GLN A 55 14.316 6.454 -3.653 1.00 0.00 O ATOM 871 NE2 GLN A 55 13.178 6.366 -1.793 1.00 0.00 N ATOM 0 H GLN A 55 15.951 7.587 1.002 1.00 0.00 H new ATOM 0 HA GLN A 55 16.744 9.739 -0.910 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.103 8.288 -0.262 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.379 9.300 -1.666 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.160 7.712 -2.463 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.891 6.702 -1.056 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.119 6.570 -0.795 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.401 5.904 -2.266 1.00 0.00 H new ATOM 880 N ALA A 56 15.580 10.552 1.896 1.00 0.00 N ATOM 881 CA ALA A 56 15.029 11.676 2.730 1.00 0.00 C ATOM 882 C ALA A 56 15.743 12.998 2.427 1.00 0.00 C ATOM 883 O ALA A 56 16.876 13.003 1.973 1.00 0.00 O ATOM 884 CB ALA A 56 15.277 11.290 4.193 1.00 0.00 C ATOM 0 H ALA A 56 16.078 9.835 2.423 1.00 0.00 H new ATOM 0 HA ALA A 56 13.970 11.821 2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.895 12.075 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.766 10.353 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.347 11.168 4.361 1.00 0.00 H new ATOM 890 N PRO A 57 15.041 14.087 2.695 1.00 0.00 N ATOM 891 CA PRO A 57 15.600 15.444 2.455 1.00 0.00 C ATOM 892 C PRO A 57 16.638 15.818 3.543 1.00 0.00 C ATOM 893 O PRO A 57 16.391 16.653 4.403 1.00 0.00 O ATOM 894 CB PRO A 57 14.369 16.346 2.536 1.00 0.00 C ATOM 895 CG PRO A 57 13.421 15.611 3.424 1.00 0.00 C ATOM 896 CD PRO A 57 13.668 14.149 3.220 1.00 0.00 C ATOM 0 HA PRO A 57 16.130 15.528 1.506 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.620 17.324 2.947 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.937 16.517 1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.579 15.886 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.389 15.865 3.180 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.573 13.595 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.953 13.718 2.519 1.00 0.00 H new ATOM 904 N LYS A 58 17.793 15.197 3.500 1.00 0.00 N ATOM 905 CA LYS A 58 18.875 15.481 4.511 1.00 0.00 C ATOM 906 C LYS A 58 20.262 15.029 3.998 1.00 0.00 C ATOM 907 O LYS A 58 20.325 14.090 3.213 1.00 0.00 O ATOM 908 CB LYS A 58 18.465 14.705 5.781 1.00 0.00 C ATOM 909 CG LYS A 58 18.453 13.192 5.515 1.00 0.00 C ATOM 910 CD LYS A 58 17.889 12.462 6.735 1.00 0.00 C ATOM 911 CE LYS A 58 18.096 10.952 6.566 1.00 0.00 C ATOM 912 NZ LYS A 58 19.325 10.620 7.348 1.00 0.00 N ATOM 913 OXT LYS A 58 21.240 15.634 4.405 1.00 0.00 O ATOM 0 H LYS A 58 18.040 14.496 2.801 1.00 0.00 H new ATOM 0 HA LYS A 58 18.969 16.549 4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 58 19.159 14.931 6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.477 15.029 6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 58 17.849 12.972 4.635 1.00 0.00 H new ATOM 0 HG3 LYS A 58 19.463 12.842 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.385 12.809 7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.828 12.684 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.235 10.395 6.936 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.218 10.689 5.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 19.472 9.591 7.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.147 11.090 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.212 10.948 8.328 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -2.020 -17.408 -16.130 1.00 0.00 N ATOM 929 CA VAL B 1 -2.633 -17.913 -14.845 1.00 0.00 C ATOM 930 C VAL B 1 -2.335 -16.963 -13.663 1.00 0.00 C ATOM 931 O VAL B 1 -3.222 -16.665 -12.883 1.00 0.00 O ATOM 932 CB VAL B 1 -2.075 -19.339 -14.570 1.00 0.00 C ATOM 933 CG1 VAL B 1 -2.685 -20.337 -15.561 1.00 0.00 C ATOM 934 CG2 VAL B 1 -0.540 -19.391 -14.687 1.00 0.00 C ATOM 0 H1 VAL B 1 -2.151 -18.117 -16.879 1.00 0.00 H new ATOM 0 H2 VAL B 1 -2.482 -16.519 -16.409 1.00 0.00 H new ATOM 0 H3 VAL B 1 -1.004 -17.240 -15.987 1.00 0.00 H new ATOM 0 HA VAL B 1 -3.717 -17.950 -14.948 1.00 0.00 H new ATOM 0 HB VAL B 1 -2.348 -19.602 -13.548 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -2.290 -21.334 -15.363 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -3.769 -20.347 -15.447 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -2.430 -20.041 -16.579 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -0.194 -20.405 -14.487 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -0.242 -19.098 -15.693 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -0.097 -18.707 -13.963 1.00 0.00 H new ATOM 946 N ASP B 2 -1.106 -16.484 -13.525 1.00 0.00 N ATOM 947 CA ASP B 2 -0.773 -15.553 -12.395 1.00 0.00 C ATOM 948 C ASP B 2 -1.149 -14.113 -12.776 1.00 0.00 C ATOM 949 O ASP B 2 -0.608 -13.549 -13.714 1.00 0.00 O ATOM 950 CB ASP B 2 0.744 -15.689 -12.181 1.00 0.00 C ATOM 951 CG ASP B 2 1.172 -14.862 -10.963 1.00 0.00 C ATOM 952 OD1 ASP B 2 1.052 -15.364 -9.857 1.00 0.00 O ATOM 953 OD2 ASP B 2 1.612 -13.740 -11.156 1.00 0.00 O ATOM 0 H ASP B 2 -0.328 -16.701 -14.147 1.00 0.00 H new ATOM 0 HA ASP B 2 -1.322 -15.795 -11.485 1.00 0.00 H new ATOM 0 HB2 ASP B 2 1.007 -16.736 -12.032 1.00 0.00 H new ATOM 0 HB3 ASP B 2 1.278 -15.349 -13.069 1.00 0.00 H new ATOM 958 N ASN B 3 -2.077 -13.523 -12.050 1.00 0.00 N ATOM 959 CA ASN B 3 -2.506 -12.120 -12.349 1.00 0.00 C ATOM 960 C ASN B 3 -2.331 -11.240 -11.097 1.00 0.00 C ATOM 961 O ASN B 3 -3.262 -11.028 -10.332 1.00 0.00 O ATOM 962 CB ASN B 3 -3.985 -12.230 -12.761 1.00 0.00 C ATOM 963 CG ASN B 3 -4.098 -12.964 -14.106 1.00 0.00 C ATOM 964 OD1 ASN B 3 -4.539 -14.095 -14.156 1.00 0.00 O ATOM 965 ND2 ASN B 3 -3.715 -12.366 -15.204 1.00 0.00 N ATOM 0 H ASN B 3 -2.555 -13.958 -11.261 1.00 0.00 H new ATOM 0 HA ASN B 3 -1.912 -11.657 -13.137 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -4.546 -12.766 -11.996 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -4.425 -11.236 -12.841 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -3.787 -12.849 -16.100 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -3.344 -11.417 -15.165 1.00 0.00 H new ATOM 972 N LYS B 4 -1.135 -10.726 -10.891 1.00 0.00 N ATOM 973 CA LYS B 4 -0.871 -9.851 -9.698 1.00 0.00 C ATOM 974 C LYS B 4 -1.134 -8.382 -10.052 1.00 0.00 C ATOM 975 O LYS B 4 -0.720 -7.900 -11.095 1.00 0.00 O ATOM 976 CB LYS B 4 0.604 -10.076 -9.329 1.00 0.00 C ATOM 977 CG LYS B 4 0.782 -11.487 -8.756 1.00 0.00 C ATOM 978 CD LYS B 4 2.235 -11.695 -8.323 1.00 0.00 C ATOM 979 CE LYS B 4 2.420 -13.134 -7.814 1.00 0.00 C ATOM 980 NZ LYS B 4 3.469 -13.745 -8.686 1.00 0.00 N ATOM 0 H LYS B 4 -0.330 -10.876 -11.499 1.00 0.00 H new ATOM 0 HA LYS B 4 -1.525 -10.096 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS B 4 1.233 -9.948 -10.210 1.00 0.00 H new ATOM 0 HB3 LYS B 4 0.924 -9.333 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS B 4 0.116 -11.630 -7.905 1.00 0.00 H new ATOM 0 HG3 LYS B 4 0.507 -12.230 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS B 4 2.906 -11.506 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS B 4 2.497 -10.985 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.728 -13.142 -6.768 1.00 0.00 H new ATOM 0 HE3 LYS B 4 1.486 -13.693 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 3.676 -14.709 -8.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 3.127 -13.780 -9.668 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 4.335 -13.171 -8.642 1.00 0.00 H new ATOM 994 N PHE B 5 -1.831 -7.674 -9.187 1.00 0.00 N ATOM 995 CA PHE B 5 -2.157 -6.234 -9.440 1.00 0.00 C ATOM 996 C PHE B 5 -1.158 -5.303 -8.719 1.00 0.00 C ATOM 997 O PHE B 5 -1.543 -4.274 -8.190 1.00 0.00 O ATOM 998 CB PHE B 5 -3.566 -6.070 -8.856 1.00 0.00 C ATOM 999 CG PHE B 5 -4.597 -6.719 -9.752 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.116 -6.019 -10.845 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.038 -8.021 -9.481 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.074 -6.618 -11.668 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -5.995 -8.622 -10.305 1.00 0.00 C ATOM 1004 CZ PHE B 5 -6.513 -7.920 -11.399 1.00 0.00 C ATOM 0 H PHE B 5 -2.191 -8.041 -8.306 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.101 -5.973 -10.497 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.607 -6.517 -7.863 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.795 -5.011 -8.738 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -4.777 -5.015 -11.054 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -4.639 -8.561 -8.635 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -6.476 -6.076 -12.512 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -6.334 -9.626 -10.097 1.00 0.00 H new ATOM 0 HZ PHE B 5 -7.252 -8.383 -12.036 1.00 0.00 H new ATOM 1014 N ASN B 6 0.118 -5.655 -8.691 1.00 0.00 N ATOM 1015 CA ASN B 6 1.146 -4.785 -7.993 1.00 0.00 C ATOM 1016 C ASN B 6 1.155 -3.355 -8.553 1.00 0.00 C ATOM 1017 O ASN B 6 1.245 -2.393 -7.806 1.00 0.00 O ATOM 1018 CB ASN B 6 2.533 -5.460 -8.161 1.00 0.00 C ATOM 1019 CG ASN B 6 2.743 -6.032 -9.578 1.00 0.00 C ATOM 1020 OD1 ASN B 6 2.754 -5.306 -10.550 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.918 -7.318 -9.730 1.00 0.00 N ATOM 0 H ASN B 6 0.492 -6.502 -9.118 1.00 0.00 H new ATOM 0 HA ASN B 6 0.894 -4.697 -6.936 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.316 -4.733 -7.946 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.634 -6.262 -7.430 1.00 0.00 H new ATOM 0 HD21 ASN B 6 3.063 -7.706 -10.662 1.00 0.00 H new ATOM 0 HD22 ASN B 6 2.910 -7.933 -8.917 1.00 0.00 H new ATOM 1028 N LYS B 7 1.022 -3.209 -9.846 1.00 0.00 N ATOM 1029 CA LYS B 7 0.979 -1.839 -10.462 1.00 0.00 C ATOM 1030 C LYS B 7 -0.249 -1.080 -9.965 1.00 0.00 C ATOM 1031 O LYS B 7 -0.187 0.113 -9.719 1.00 0.00 O ATOM 1032 CB LYS B 7 0.901 -2.064 -11.977 1.00 0.00 C ATOM 1033 CG LYS B 7 1.165 -0.743 -12.718 1.00 0.00 C ATOM 1034 CD LYS B 7 0.012 -0.445 -13.687 1.00 0.00 C ATOM 1035 CE LYS B 7 -1.031 0.457 -13.002 1.00 0.00 C ATOM 1036 NZ LYS B 7 -2.244 -0.395 -12.806 1.00 0.00 N ATOM 0 H LYS B 7 0.941 -3.980 -10.509 1.00 0.00 H new ATOM 0 HA LYS B 7 1.853 -1.245 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.632 -2.813 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.082 -2.451 -12.246 1.00 0.00 H new ATOM 0 HG2 LYS B 7 1.268 0.071 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.105 -0.806 -13.266 1.00 0.00 H new ATOM 0 HD2 LYS B 7 0.396 0.044 -14.583 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -0.455 -1.376 -14.007 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.658 0.831 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.260 1.327 -13.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -2.938 0.118 -12.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.664 -0.619 -13.731 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -1.975 -1.277 -12.325 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.352 -1.768 -9.804 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.586 -1.100 -9.301 1.00 0.00 C ATOM 1052 C GLU B 8 -2.429 -0.692 -7.851 1.00 0.00 C ATOM 1053 O GLU B 8 -2.919 0.333 -7.471 1.00 0.00 O ATOM 1054 CB GLU B 8 -3.742 -2.095 -9.446 1.00 0.00 C ATOM 1055 CG GLU B 8 -4.676 -1.643 -10.572 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.146 -0.192 -10.350 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -5.976 0.019 -9.481 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -4.677 0.679 -11.067 1.00 0.00 O ATOM 0 H GLU B 8 -1.449 -2.764 -10.000 1.00 0.00 H new ATOM 0 HA GLU B 8 -2.780 -0.194 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.353 -3.090 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.294 -2.164 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.161 -1.720 -11.530 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.540 -2.306 -10.621 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.738 -1.461 -7.046 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.565 -1.048 -5.609 1.00 0.00 C ATOM 1067 C LEU B 9 -0.737 0.232 -5.522 1.00 0.00 C ATOM 1068 O LEU B 9 -0.884 0.991 -4.585 1.00 0.00 O ATOM 1069 CB LEU B 9 -0.865 -2.158 -4.833 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.534 -3.523 -5.049 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.564 -4.639 -4.610 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.821 -3.572 -4.204 1.00 0.00 C ATOM 0 H LEU B 9 -1.293 -2.340 -7.309 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.549 -0.866 -5.177 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.179 -2.213 -5.142 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -0.870 -1.916 -3.770 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.781 -3.667 -6.101 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.035 -5.610 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.349 -4.582 -5.203 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.320 -4.515 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.312 -4.535 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.570 -3.442 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.493 -2.773 -4.518 1.00 0.00 H new ATOM 1084 N SER B 10 0.108 0.505 -6.502 1.00 0.00 N ATOM 1085 CA SER B 10 0.886 1.776 -6.463 1.00 0.00 C ATOM 1086 C SER B 10 -0.107 2.951 -6.600 1.00 0.00 C ATOM 1087 O SER B 10 -0.078 3.887 -5.828 1.00 0.00 O ATOM 1088 CB SER B 10 1.844 1.702 -7.652 1.00 0.00 C ATOM 1089 OG SER B 10 2.313 3.002 -7.981 1.00 0.00 O ATOM 0 H SER B 10 0.283 -0.093 -7.310 1.00 0.00 H new ATOM 0 HA SER B 10 1.444 1.921 -5.538 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.686 1.053 -7.411 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.337 1.261 -8.511 1.00 0.00 H new ATOM 0 HG SER B 10 2.202 3.156 -8.942 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.004 2.871 -7.567 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.025 3.957 -7.782 1.00 0.00 C ATOM 1097 C VAL B 11 -3.211 3.785 -6.808 1.00 0.00 C ATOM 1098 O VAL B 11 -3.545 4.689 -6.062 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.490 3.795 -9.248 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.352 4.995 -9.652 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.275 3.698 -10.188 1.00 0.00 C ATOM 0 H VAL B 11 -1.071 2.091 -8.221 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.612 4.949 -7.597 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.075 2.879 -9.330 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.678 4.877 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.224 5.052 -9.001 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.768 5.911 -9.558 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.619 3.584 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.676 4.605 -10.104 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -0.668 2.836 -9.911 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.829 2.620 -6.819 1.00 0.00 N ATOM 1112 CA ALA B 12 -4.997 2.321 -5.917 1.00 0.00 C ATOM 1113 C ALA B 12 -4.594 2.396 -4.444 1.00 0.00 C ATOM 1114 O ALA B 12 -5.280 2.987 -3.636 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.437 0.879 -6.269 1.00 0.00 C ATOM 0 H ALA B 12 -3.566 1.847 -7.430 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.798 3.046 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.286 0.596 -5.647 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.725 0.833 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.610 0.192 -6.089 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.489 1.793 -4.105 1.00 0.00 N ATOM 1122 CA GLY B 13 -3.007 1.772 -2.697 1.00 0.00 C ATOM 1123 C GLY B 13 -2.605 3.152 -2.213 1.00 0.00 C ATOM 1124 O GLY B 13 -3.099 3.605 -1.199 1.00 0.00 O ATOM 0 H GLY B 13 -2.885 1.301 -4.763 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.791 1.376 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.155 1.097 -2.616 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.684 3.801 -2.893 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.210 5.145 -2.411 1.00 0.00 C ATOM 1130 C ARG B 14 -2.363 6.172 -2.310 1.00 0.00 C ATOM 1131 O ARG B 14 -2.400 6.954 -1.377 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.137 5.622 -3.395 1.00 0.00 C ATOM 1133 CG ARG B 14 1.072 6.165 -2.630 1.00 0.00 C ATOM 1134 CD ARG B 14 0.652 7.256 -1.647 1.00 0.00 C ATOM 1135 NE ARG B 14 1.851 7.463 -0.794 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.299 8.667 -0.554 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.380 9.094 -1.160 1.00 0.00 N ATOM 1138 NH2 ARG B 14 1.668 9.439 0.300 1.00 0.00 N ATOM 0 H ARG B 14 -1.244 3.465 -3.750 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.806 5.053 -1.403 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.170 4.798 -4.038 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.545 6.397 -4.043 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.561 5.353 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG B 14 1.802 6.565 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.370 8.172 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG B 14 -0.209 6.947 -1.054 1.00 0.00 H new ATOM 0 HE ARG B 14 2.329 6.657 -0.392 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.870 8.487 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.731 10.033 -0.974 1.00 0.00 H new ATOM 0 HH21 ARG B 14 0.831 9.098 0.774 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.015 10.379 0.490 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.314 6.170 -3.229 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.460 7.147 -3.115 1.00 0.00 C ATOM 1154 C GLU B 15 -5.295 6.795 -1.865 1.00 0.00 C ATOM 1155 O GLU B 15 -5.673 7.667 -1.104 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.279 7.007 -4.398 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.519 7.651 -5.567 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.401 7.683 -6.821 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -6.452 8.310 -6.777 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.010 7.084 -7.809 1.00 0.00 O ATOM 0 H GLU B 15 -3.347 5.548 -4.037 1.00 0.00 H new ATOM 0 HA GLU B 15 -4.121 8.177 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.466 5.954 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.251 7.485 -4.275 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.218 8.664 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.607 7.090 -5.770 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.517 5.510 -1.625 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.249 5.048 -0.389 1.00 0.00 C ATOM 1169 C ILE B 16 -5.389 5.363 0.869 1.00 0.00 C ATOM 1170 O ILE B 16 -5.912 5.569 1.949 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.461 3.530 -0.597 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.491 3.330 -1.722 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.988 2.870 0.684 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.458 1.894 -2.252 1.00 0.00 C ATOM 0 H ILE B 16 -5.217 4.756 -2.243 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.204 5.550 -0.235 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.507 3.071 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.489 3.561 -1.350 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.285 4.026 -2.535 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -7.129 1.803 0.512 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.269 3.016 1.491 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.941 3.322 0.961 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -8.196 1.782 -3.046 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.466 1.674 -2.646 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.689 1.202 -1.442 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.075 5.425 0.705 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.135 5.751 1.836 1.00 0.00 C ATOM 1188 C VAL B 17 -3.282 7.218 2.274 1.00 0.00 C ATOM 1189 O VAL B 17 -3.129 7.522 3.443 1.00 0.00 O ATOM 1190 CB VAL B 17 -1.708 5.495 1.270 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -0.625 6.242 2.064 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.403 4.010 1.319 1.00 0.00 C ATOM 0 H VAL B 17 -3.610 5.259 -0.187 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.344 5.143 2.716 1.00 0.00 H new ATOM 0 HB VAL B 17 -1.696 5.864 0.244 1.00 0.00 H new ATOM 0 HG11 VAL B 17 0.353 6.032 1.631 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.818 7.314 2.022 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.641 5.910 3.102 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.404 3.831 0.923 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -1.452 3.662 2.351 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -2.134 3.468 0.719 1.00 0.00 H new ATOM 1202 N THR B 18 -3.515 8.135 1.352 1.00 0.00 N ATOM 1203 CA THR B 18 -3.595 9.575 1.754 1.00 0.00 C ATOM 1204 C THR B 18 -4.706 10.373 1.028 1.00 0.00 C ATOM 1205 O THR B 18 -4.512 11.546 0.741 1.00 0.00 O ATOM 1206 CB THR B 18 -2.178 10.126 1.447 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.053 11.442 1.967 1.00 0.00 O ATOM 1208 CG2 THR B 18 -1.906 10.142 -0.067 1.00 0.00 C ATOM 0 H THR B 18 -3.650 7.948 0.358 1.00 0.00 H new ATOM 0 HA THR B 18 -3.875 9.677 2.802 1.00 0.00 H new ATOM 0 HB THR B 18 -1.447 9.471 1.920 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.844 11.967 1.722 1.00 0.00 H new ATOM 0 HG21 THR B 18 -0.906 10.533 -0.253 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.978 9.128 -0.460 1.00 0.00 H new ATOM 0 HG23 THR B 18 -2.641 10.776 -0.562 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.882 9.799 0.765 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.961 10.634 0.108 1.00 0.00 C ATOM 1218 C LEU B 19 -7.344 11.818 1.056 1.00 0.00 C ATOM 1219 O LEU B 19 -7.002 11.799 2.229 1.00 0.00 O ATOM 1220 CB LEU B 19 -8.139 9.702 -0.236 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.570 8.848 0.953 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -10.082 8.928 1.068 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -8.153 7.388 0.720 1.00 0.00 C ATOM 0 H LEU B 19 -6.129 8.831 0.969 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.623 11.089 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.985 10.300 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.855 9.052 -1.063 1.00 0.00 H new ATOM 0 HG LEU B 19 -8.098 9.209 1.867 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -10.415 8.325 1.912 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -10.381 9.965 1.223 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.537 8.552 0.152 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.462 6.781 1.571 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.630 7.013 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -7.070 7.332 0.609 1.00 0.00 H new ATOM 1235 N PRO B 20 -7.938 12.856 0.489 1.00 0.00 N ATOM 1236 CA PRO B 20 -8.234 14.127 1.249 1.00 0.00 C ATOM 1237 C PRO B 20 -9.097 14.012 2.528 1.00 0.00 C ATOM 1238 O PRO B 20 -8.971 14.868 3.389 1.00 0.00 O ATOM 1239 CB PRO B 20 -8.913 15.012 0.198 1.00 0.00 C ATOM 1240 CG PRO B 20 -9.445 14.058 -0.811 1.00 0.00 C ATOM 1241 CD PRO B 20 -8.425 12.958 -0.898 1.00 0.00 C ATOM 0 HA PRO B 20 -7.306 14.517 1.667 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -9.712 15.609 0.639 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -8.205 15.709 -0.250 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -10.417 13.669 -0.509 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -9.582 14.544 -1.777 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.867 12.023 -1.242 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -7.622 13.205 -1.592 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.972 13.033 2.683 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.818 12.996 3.944 1.00 0.00 C ATOM 1251 C ASN B 21 -10.741 11.663 4.716 1.00 0.00 C ATOM 1252 O ASN B 21 -11.545 11.446 5.609 1.00 0.00 O ATOM 1253 CB ASN B 21 -12.263 13.208 3.477 1.00 0.00 C ATOM 1254 CG ASN B 21 -12.477 14.586 2.833 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -11.736 15.521 3.066 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -13.491 14.750 2.033 1.00 0.00 N ATOM 0 H ASN B 21 -10.138 12.278 2.017 1.00 0.00 H new ATOM 0 HA ASN B 21 -10.454 13.758 4.633 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -12.527 12.431 2.760 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.936 13.100 4.328 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -13.661 15.660 1.605 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -14.116 13.968 1.834 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.815 10.773 4.416 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.764 9.477 5.181 1.00 0.00 C ATOM 1265 C LEU B 22 -8.836 9.579 6.395 1.00 0.00 C ATOM 1266 O LEU B 22 -7.921 10.386 6.439 1.00 0.00 O ATOM 1267 CB LEU B 22 -9.226 8.422 4.224 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.775 7.036 4.589 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.983 6.701 3.706 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.677 5.993 4.372 1.00 0.00 C ATOM 0 H LEU B 22 -9.107 10.884 3.690 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.758 9.225 5.550 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.507 8.673 3.201 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -8.137 8.410 4.262 1.00 0.00 H new ATOM 0 HG LEU B 22 -10.089 7.033 5.633 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.366 5.716 3.972 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.763 7.447 3.858 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.680 6.702 2.659 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -9.058 5.005 4.629 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.368 6.002 3.327 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.822 6.228 5.005 1.00 0.00 H new ATOM 1282 N ASN B 23 -9.070 8.730 7.362 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.214 8.702 8.604 1.00 0.00 C ATOM 1284 C ASN B 23 -7.278 7.470 8.590 1.00 0.00 C ATOM 1285 O ASN B 23 -7.497 6.526 7.849 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.192 8.699 9.806 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.063 7.427 9.868 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -9.952 6.541 9.053 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.940 7.306 10.827 1.00 0.00 N ATOM 0 H ASN B 23 -9.825 8.044 7.351 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.555 9.568 8.667 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.623 8.789 10.731 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.839 9.574 9.744 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.523 6.471 10.883 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.043 8.047 11.521 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.217 7.503 9.382 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.206 6.378 9.404 1.00 0.00 C ATOM 1298 C ASP B 24 -5.780 4.950 9.664 1.00 0.00 C ATOM 1299 O ASP B 24 -5.271 4.018 9.061 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.126 6.767 10.447 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.688 6.835 11.871 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.224 7.875 12.227 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.561 5.854 12.586 1.00 0.00 O ATOM 0 H ASP B 24 -6.007 8.270 10.021 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.792 6.281 8.400 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.314 6.040 10.414 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.699 7.734 10.181 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.787 4.773 10.527 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.316 3.392 10.773 1.00 0.00 C ATOM 1310 C PRO B 25 -8.035 2.817 9.533 1.00 0.00 C ATOM 1311 O PRO B 25 -7.874 1.644 9.215 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.286 3.574 11.939 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.702 5.004 11.873 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.525 5.770 11.332 1.00 0.00 C ATOM 0 HA PRO B 25 -6.519 2.680 10.990 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.144 2.908 11.846 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.807 3.346 12.891 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.572 5.125 11.228 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -8.983 5.372 12.860 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -7.845 6.616 10.724 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -6.907 6.171 12.135 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.820 3.623 8.831 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.546 3.109 7.619 1.00 0.00 C ATOM 1324 C GLN B 26 -8.560 2.759 6.503 1.00 0.00 C ATOM 1325 O GLN B 26 -8.641 1.682 5.955 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.510 4.219 7.195 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.707 4.238 8.164 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.514 5.537 8.035 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -12.565 6.164 6.898 1.00 0.00 O flip ATOM 1330 NE2 GLN B 26 -13.115 5.981 8.990 1.00 0.00 N flip ATOM 0 H GLN B 26 -8.984 4.606 9.048 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.091 2.191 7.839 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.002 5.183 7.205 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -10.854 4.050 6.175 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.354 3.385 7.961 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.349 4.131 9.188 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -13.080 5.495 9.886 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.656 6.841 8.897 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.624 3.645 6.176 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.619 3.323 5.091 1.00 0.00 C ATOM 1341 C LYS B 27 -5.835 2.057 5.424 1.00 0.00 C ATOM 1342 O LYS B 27 -5.540 1.283 4.540 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.640 4.499 4.920 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.202 5.141 6.244 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.595 6.518 5.955 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.681 7.482 5.437 1.00 0.00 C ATOM 1347 NZ LYS B 27 -5.133 8.856 5.648 1.00 0.00 N ATOM 0 H LYS B 27 -7.516 4.563 6.608 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.166 3.158 4.163 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.756 4.149 4.387 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.107 5.260 4.295 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.055 5.239 6.915 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.472 4.506 6.747 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -4.143 6.921 6.861 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.799 6.425 5.216 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -5.894 7.303 4.383 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.617 7.346 5.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.914 9.543 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.625 8.892 6.555 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.479 9.091 4.875 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.504 1.835 6.682 1.00 0.00 N ATOM 1362 CA LYS B 28 -4.757 0.581 7.045 1.00 0.00 C ATOM 1363 C LYS B 28 -5.607 -0.634 6.639 1.00 0.00 C ATOM 1364 O LYS B 28 -5.188 -1.437 5.838 1.00 0.00 O ATOM 1365 CB LYS B 28 -4.584 0.582 8.579 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.306 1.313 8.958 1.00 0.00 C ATOM 1367 CD LYS B 28 -2.311 0.357 9.617 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.654 -0.514 8.543 1.00 0.00 C ATOM 1369 NZ LYS B 28 -0.311 -0.886 9.085 1.00 0.00 N ATOM 0 H LYS B 28 -5.716 2.458 7.461 1.00 0.00 H new ATOM 0 HA LYS B 28 -3.791 0.536 6.542 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.441 1.064 9.050 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -4.550 -0.442 8.950 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -2.858 1.756 8.069 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.538 2.131 9.640 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -1.551 0.921 10.158 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -2.822 -0.271 10.347 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -2.253 -1.402 8.339 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.559 0.029 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 0.428 -0.369 8.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -0.264 -0.640 10.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -0.162 -1.909 8.971 1.00 0.00 H new ATOM 1383 N ALA B 29 -6.824 -0.739 7.159 1.00 0.00 N ATOM 1384 CA ALA B 29 -7.727 -1.886 6.771 1.00 0.00 C ATOM 1385 C ALA B 29 -7.998 -1.859 5.250 1.00 0.00 C ATOM 1386 O ALA B 29 -8.148 -2.892 4.625 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.028 -1.664 7.551 1.00 0.00 C ATOM 0 H ALA B 29 -7.225 -0.083 7.830 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.280 -2.853 7.000 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -9.733 -2.462 7.318 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -8.816 -1.668 8.620 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.461 -0.704 7.270 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.045 -0.673 4.669 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.287 -0.523 3.195 1.00 0.00 C ATOM 1395 C PHE B 30 -7.122 -1.086 2.385 1.00 0.00 C ATOM 1396 O PHE B 30 -7.316 -1.851 1.467 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.384 0.989 2.955 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.722 1.327 2.389 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.010 0.977 1.075 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.676 1.974 3.177 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.260 1.275 0.540 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -11.927 2.277 2.642 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.219 1.927 1.325 1.00 0.00 C ATOM 0 H PHE B 30 -7.923 0.209 5.167 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.184 -1.061 2.888 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.229 1.526 3.891 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.598 1.309 2.271 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.267 0.476 0.472 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.445 2.239 4.198 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.490 1.004 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.667 2.781 3.246 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.188 2.159 0.908 1.00 0.00 H new ATOM 1413 N ILE B 31 -5.920 -0.704 2.725 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.726 -1.218 1.994 1.00 0.00 C ATOM 1415 C ILE B 31 -4.568 -2.706 2.281 1.00 0.00 C ATOM 1416 O ILE B 31 -4.254 -3.475 1.401 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.545 -0.424 2.550 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.506 0.934 1.825 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.215 -1.203 2.369 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.082 1.325 1.523 1.00 0.00 C ATOM 0 H ILE B 31 -5.713 -0.054 3.483 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.805 -1.102 0.913 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.668 -0.267 3.622 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -4.079 0.876 0.899 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -3.977 1.698 2.444 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.391 -0.615 2.773 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.276 -2.154 2.898 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.043 -1.388 1.309 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -2.070 2.287 1.010 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.521 1.403 2.454 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.624 0.568 0.886 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.793 -3.107 3.512 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.675 -4.545 3.862 1.00 0.00 C ATOM 1434 C PHE B 32 -5.741 -5.339 3.060 1.00 0.00 C ATOM 1435 O PHE B 32 -5.468 -6.439 2.616 1.00 0.00 O ATOM 1436 CB PHE B 32 -4.831 -4.616 5.396 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.479 -4.296 6.066 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -2.840 -3.021 5.896 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -2.837 -5.275 6.875 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.625 -2.779 6.503 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.620 -4.990 7.466 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.019 -3.763 7.280 1.00 0.00 C ATOM 0 H PHE B 32 -5.053 -2.493 4.284 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.720 -4.998 3.596 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.590 -3.908 5.728 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.170 -5.609 5.692 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.309 -2.255 5.296 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.300 -6.239 7.027 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.141 -1.822 6.375 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.136 -5.735 8.079 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.064 -3.562 7.744 1.00 0.00 H new ATOM 1452 N SER B 33 -6.915 -4.756 2.770 1.00 0.00 N ATOM 1453 CA SER B 33 -7.907 -5.480 1.893 1.00 0.00 C ATOM 1454 C SER B 33 -7.460 -5.324 0.415 1.00 0.00 C ATOM 1455 O SER B 33 -7.638 -6.223 -0.381 1.00 0.00 O ATOM 1456 CB SER B 33 -9.287 -4.848 2.155 1.00 0.00 C ATOM 1457 OG SER B 33 -9.326 -3.515 1.678 1.00 0.00 O ATOM 0 H SER B 33 -7.210 -3.837 3.099 1.00 0.00 H new ATOM 0 HA SER B 33 -7.960 -6.547 2.110 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.062 -5.438 1.665 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.503 -4.864 3.223 1.00 0.00 H new ATOM 0 HG SER B 33 -8.443 -3.103 1.785 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.832 -4.196 0.073 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.297 -3.968 -1.324 1.00 0.00 C ATOM 1465 C LEU B 34 -5.187 -4.991 -1.613 1.00 0.00 C ATOM 1466 O LEU B 34 -5.119 -5.551 -2.685 1.00 0.00 O ATOM 1467 CB LEU B 34 -5.714 -2.536 -1.304 1.00 0.00 C ATOM 1468 CG LEU B 34 -5.156 -2.140 -2.669 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -6.292 -1.701 -3.599 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.168 -0.977 -2.496 1.00 0.00 C ATOM 0 H LEU B 34 -6.670 -3.420 0.715 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.062 -4.081 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.490 -1.830 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -4.925 -2.474 -0.555 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.648 -2.999 -3.107 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -5.881 -1.421 -4.569 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.996 -2.523 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.809 -0.846 -3.164 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.768 -0.692 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.683 -0.125 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.351 -1.287 -1.844 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.328 -5.236 -0.640 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.223 -6.226 -0.813 1.00 0.00 C ATOM 1484 C TRP B 35 -3.786 -7.653 -0.973 1.00 0.00 C ATOM 1485 O TRP B 35 -3.331 -8.410 -1.814 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.390 -6.149 0.466 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.185 -6.992 0.252 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.951 -8.190 0.825 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.078 -6.744 -0.643 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.238 -8.682 0.343 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.818 -7.822 -0.559 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.230 -5.686 -1.503 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 1.982 -7.848 -1.313 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.398 -5.713 -2.255 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.265 -6.787 -2.159 1.00 0.00 C ATOM 0 H TRP B 35 -4.353 -4.783 0.273 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.636 -6.004 -1.704 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.106 -5.118 0.680 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -2.963 -6.506 1.322 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.591 -8.681 1.543 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.641 -9.577 0.621 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.442 -4.845 -1.583 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.660 -8.685 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.630 -4.892 -2.917 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.170 -6.799 -2.748 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.762 -8.014 -0.156 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.364 -9.381 -0.227 1.00 0.00 C ATOM 1508 C ASP B 36 -6.207 -9.530 -1.494 1.00 0.00 C ATOM 1509 O ASP B 36 -6.177 -10.562 -2.141 1.00 0.00 O ATOM 1510 CB ASP B 36 -6.250 -9.510 1.024 1.00 0.00 C ATOM 1511 CG ASP B 36 -6.512 -10.989 1.321 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -7.485 -11.517 0.807 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -5.731 -11.571 2.058 1.00 0.00 O ATOM 0 H ASP B 36 -5.164 -7.409 0.560 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.598 -10.156 -0.261 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.762 -9.039 1.877 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -7.194 -8.988 0.868 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.967 -8.506 -1.846 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.822 -8.585 -3.060 1.00 0.00 C ATOM 1520 C ASP B 37 -7.668 -7.318 -3.927 1.00 0.00 C ATOM 1521 O ASP B 37 -8.593 -6.525 -4.028 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.272 -8.729 -2.540 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.385 -9.887 -1.537 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.316 -11.030 -1.961 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.538 -9.608 -0.359 1.00 0.00 O ATOM 0 H ASP B 37 -7.023 -7.624 -1.336 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.540 -9.425 -3.695 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.586 -7.800 -2.065 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.947 -8.902 -3.378 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.510 -7.170 -4.563 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.282 -5.999 -5.456 1.00 0.00 C ATOM 1532 C PRO B 38 -7.102 -6.104 -6.758 1.00 0.00 C ATOM 1533 O PRO B 38 -7.106 -5.180 -7.546 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.801 -6.039 -5.749 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.414 -7.470 -5.574 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.320 -8.038 -4.514 1.00 0.00 C ATOM 0 HA PRO B 38 -6.596 -5.065 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.589 -5.693 -6.761 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.246 -5.393 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.523 -8.017 -6.510 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.369 -7.554 -5.276 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.575 -9.077 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.849 -8.015 -3.531 1.00 0.00 H new ATOM 1544 N SER B 39 -7.833 -7.194 -6.975 1.00 0.00 N ATOM 1545 CA SER B 39 -8.701 -7.292 -8.200 1.00 0.00 C ATOM 1546 C SER B 39 -9.727 -6.146 -8.129 1.00 0.00 C ATOM 1547 O SER B 39 -10.076 -5.542 -9.128 1.00 0.00 O ATOM 1548 CB SER B 39 -9.401 -8.652 -8.112 1.00 0.00 C ATOM 1549 OG SER B 39 -9.456 -9.238 -9.406 1.00 0.00 O ATOM 0 H SER B 39 -7.860 -8.007 -6.359 1.00 0.00 H new ATOM 0 HA SER B 39 -8.145 -7.212 -9.134 1.00 0.00 H new ATOM 0 HB2 SER B 39 -8.863 -9.307 -7.426 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.408 -8.530 -7.712 1.00 0.00 H new ATOM 0 HG SER B 39 -8.586 -9.140 -9.847 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.157 -5.823 -6.915 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.110 -4.685 -6.687 1.00 0.00 C ATOM 1557 C GLN B 40 -10.312 -3.401 -6.359 1.00 0.00 C ATOM 1558 O GLN B 40 -10.843 -2.514 -5.731 1.00 0.00 O ATOM 1559 CB GLN B 40 -11.963 -5.053 -5.451 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.272 -6.552 -5.378 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.638 -6.777 -4.717 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.460 -7.506 -5.235 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.920 -6.183 -3.586 1.00 0.00 N ATOM 0 H GLN B 40 -9.878 -6.313 -6.065 1.00 0.00 H new ATOM 0 HA GLN B 40 -11.725 -4.515 -7.570 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.436 -4.749 -4.546 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.898 -4.493 -5.479 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.269 -6.981 -6.380 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.496 -7.064 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.233 -5.570 -3.147 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.827 -6.333 -3.143 1.00 0.00 H new ATOM 1572 N SER B 41 -9.039 -3.306 -6.734 1.00 0.00 N ATOM 1573 CA SER B 41 -8.218 -2.085 -6.394 1.00 0.00 C ATOM 1574 C SER B 41 -8.860 -0.796 -6.919 1.00 0.00 C ATOM 1575 O SER B 41 -8.878 0.204 -6.222 1.00 0.00 O ATOM 1576 CB SER B 41 -6.851 -2.303 -7.030 1.00 0.00 C ATOM 1577 OG SER B 41 -6.986 -2.498 -8.436 1.00 0.00 O ATOM 0 H SER B 41 -8.540 -4.023 -7.260 1.00 0.00 H new ATOM 0 HA SER B 41 -8.146 -1.964 -5.313 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.210 -1.443 -6.835 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.367 -3.170 -6.580 1.00 0.00 H new ATOM 0 HG SER B 41 -6.763 -1.666 -8.904 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.429 -0.820 -8.118 1.00 0.00 N ATOM 1584 CA ALA B 42 -10.118 0.405 -8.649 1.00 0.00 C ATOM 1585 C ALA B 42 -11.321 0.705 -7.739 1.00 0.00 C ATOM 1586 O ALA B 42 -11.533 1.835 -7.332 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.577 0.047 -10.070 1.00 0.00 C ATOM 0 H ALA B 42 -9.442 -1.629 -8.739 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.476 1.285 -8.669 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -11.088 0.902 -10.513 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.710 -0.213 -10.678 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.259 -0.802 -10.029 1.00 0.00 H new ATOM 1593 N ASN B 43 -12.073 -0.328 -7.383 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.233 -0.162 -6.455 1.00 0.00 C ATOM 1595 C ASN B 43 -12.740 0.233 -5.048 1.00 0.00 C ATOM 1596 O ASN B 43 -13.408 0.971 -4.362 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.940 -1.527 -6.416 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.242 -1.412 -5.613 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.310 -1.860 -4.486 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -16.282 -0.826 -6.143 1.00 0.00 N ATOM 0 H ASN B 43 -11.921 -1.284 -7.705 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.907 0.626 -6.791 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.155 -1.865 -7.430 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.287 -2.273 -5.963 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -17.148 -0.745 -5.611 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -16.228 -0.449 -7.089 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.574 -0.250 -4.623 1.00 0.00 N ATOM 1608 CA LEU B 44 -11.028 0.103 -3.264 1.00 0.00 C ATOM 1609 C LEU B 44 -10.676 1.584 -3.217 1.00 0.00 C ATOM 1610 O LEU B 44 -11.037 2.288 -2.299 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.767 -0.754 -3.104 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.087 -1.976 -2.246 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.384 -3.212 -2.821 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.609 -1.692 -0.815 1.00 0.00 C ATOM 0 H LEU B 44 -10.981 -0.876 -5.168 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.747 -0.083 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.402 -1.068 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.973 -0.169 -2.640 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.159 -2.172 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.615 -4.081 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.730 -3.386 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.306 -3.048 -2.827 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -9.827 -2.552 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.535 -1.508 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.126 -0.815 -0.426 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.999 2.044 -4.231 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.626 3.490 -4.337 1.00 0.00 C ATOM 1628 C LEU B 45 -10.910 4.328 -4.327 1.00 0.00 C ATOM 1629 O LEU B 45 -11.020 5.299 -3.602 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.896 3.634 -5.680 1.00 0.00 C ATOM 1631 CG LEU B 45 -7.688 4.557 -5.524 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.092 4.848 -6.902 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -8.118 5.865 -4.858 1.00 0.00 C ATOM 0 H LEU B 45 -9.680 1.469 -5.010 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.995 3.826 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.572 2.655 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.576 4.036 -6.431 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.938 4.071 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -6.230 5.506 -6.794 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.779 3.914 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -7.842 5.332 -7.528 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.253 6.519 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -8.870 6.357 -5.475 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -8.538 5.652 -3.875 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.902 3.910 -5.095 1.00 0.00 N ATOM 1646 CA ALA B 46 -13.218 4.621 -5.112 1.00 0.00 C ATOM 1647 C ALA B 46 -13.845 4.521 -3.714 1.00 0.00 C ATOM 1648 O ALA B 46 -14.313 5.499 -3.175 1.00 0.00 O ATOM 1649 CB ALA B 46 -14.061 3.863 -6.130 1.00 0.00 C ATOM 0 H ALA B 46 -11.848 3.100 -5.712 1.00 0.00 H new ATOM 0 HA ALA B 46 -13.135 5.677 -5.370 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -15.046 4.324 -6.202 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.573 3.897 -7.104 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -14.168 2.826 -5.813 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.801 3.335 -3.121 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.338 3.120 -1.741 1.00 0.00 C ATOM 1657 C GLU B 47 -13.612 4.042 -0.745 1.00 0.00 C ATOM 1658 O GLU B 47 -14.200 4.511 0.211 1.00 0.00 O ATOM 1659 CB GLU B 47 -14.049 1.640 -1.418 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.064 1.129 -0.387 1.00 0.00 C ATOM 1661 CD GLU B 47 -16.452 1.024 -1.037 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -16.637 0.143 -1.866 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -17.302 1.836 -0.708 1.00 0.00 O ATOM 0 H GLU B 47 -13.406 2.499 -3.552 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.402 3.347 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -14.106 1.041 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -13.036 1.533 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -14.754 0.155 -0.009 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.102 1.805 0.467 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.338 4.313 -0.989 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.544 5.223 -0.098 1.00 0.00 C ATOM 1672 C ALA B 48 -12.177 6.623 -0.144 1.00 0.00 C ATOM 1673 O ALA B 48 -12.534 7.168 0.880 1.00 0.00 O ATOM 1674 CB ALA B 48 -10.115 5.227 -0.678 1.00 0.00 C ATOM 0 H ALA B 48 -11.815 3.934 -1.779 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.529 4.903 0.944 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.479 5.874 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.715 4.213 -0.668 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.139 5.597 -1.703 1.00 0.00 H new ATOM 1680 N LYS B 49 -12.359 7.177 -1.336 1.00 0.00 N ATOM 1681 CA LYS B 49 -13.019 8.524 -1.474 1.00 0.00 C ATOM 1682 C LYS B 49 -14.482 8.452 -1.000 1.00 0.00 C ATOM 1683 O LYS B 49 -14.944 9.322 -0.297 1.00 0.00 O ATOM 1684 CB LYS B 49 -12.957 8.859 -2.969 1.00 0.00 C ATOM 1685 CG LYS B 49 -11.543 9.342 -3.332 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.774 8.231 -4.056 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.540 8.820 -4.763 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.484 8.952 -3.708 1.00 0.00 N ATOM 0 H LYS B 49 -12.076 6.749 -2.217 1.00 0.00 H new ATOM 0 HA LYS B 49 -12.523 9.283 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -13.215 7.980 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -13.689 9.630 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -11.604 10.225 -3.968 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -11.008 9.636 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.465 7.467 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -11.422 7.743 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -9.205 8.169 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.770 9.788 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.599 9.284 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -8.795 9.636 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -8.324 8.027 -3.259 1.00 0.00 H new ATOM 1702 N LYS B 50 -15.201 7.401 -1.363 1.00 0.00 N ATOM 1703 CA LYS B 50 -16.636 7.248 -0.906 1.00 0.00 C ATOM 1704 C LYS B 50 -16.697 7.307 0.631 1.00 0.00 C ATOM 1705 O LYS B 50 -17.529 7.996 1.199 1.00 0.00 O ATOM 1706 CB LYS B 50 -17.080 5.862 -1.398 1.00 0.00 C ATOM 1707 CG LYS B 50 -17.261 5.866 -2.920 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.477 4.427 -3.399 1.00 0.00 C ATOM 1709 CE LYS B 50 -17.513 4.381 -4.929 1.00 0.00 C ATOM 1710 NZ LYS B 50 -17.203 2.962 -5.288 1.00 0.00 N ATOM 0 H LYS B 50 -14.857 6.644 -1.954 1.00 0.00 H new ATOM 0 HA LYS B 50 -17.278 8.038 -1.296 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.338 5.115 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -18.016 5.581 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -18.113 6.487 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -16.383 6.296 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -16.676 3.788 -3.027 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -18.411 4.037 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -18.491 4.678 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -16.782 5.065 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -17.210 2.856 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -16.264 2.708 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -17.919 2.334 -4.871 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.790 6.613 1.296 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.733 6.634 2.794 1.00 0.00 C ATOM 1726 C LEU B 51 -15.218 8.004 3.285 1.00 0.00 C ATOM 1727 O LEU B 51 -15.708 8.528 4.271 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.789 5.476 3.172 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.556 5.425 4.692 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.889 5.495 5.456 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.848 4.113 5.042 1.00 0.00 C ATOM 0 H LEU B 51 -15.081 6.028 0.854 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.709 6.503 3.262 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -15.214 4.531 2.834 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.835 5.598 2.659 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.945 6.280 4.981 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.696 5.457 6.528 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -16.400 6.426 5.212 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.517 4.651 5.170 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.678 4.067 6.118 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -14.470 3.271 4.736 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.892 4.066 4.521 1.00 0.00 H new ATOM 1743 N ASN B 52 -14.259 8.597 2.583 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.734 9.954 2.971 1.00 0.00 C ATOM 1745 C ASN B 52 -14.889 10.975 2.989 1.00 0.00 C ATOM 1746 O ASN B 52 -14.878 11.917 3.758 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.628 10.277 1.909 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.987 11.359 0.834 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -14.117 11.656 0.540 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -12.033 11.958 0.197 1.00 0.00 N ATOM 0 H ASN B 52 -13.820 8.192 1.756 1.00 0.00 H new ATOM 0 HA ASN B 52 -13.308 9.990 3.974 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.733 10.605 2.437 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -12.372 9.353 1.391 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -12.254 12.649 -0.520 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -11.060 11.739 0.412 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.875 10.783 2.126 1.00 0.00 N ATOM 1758 CA ASP B 53 -17.027 11.724 2.043 1.00 0.00 C ATOM 1759 C ASP B 53 -17.887 11.662 3.318 1.00 0.00 C ATOM 1760 O ASP B 53 -18.473 12.654 3.719 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.848 11.257 0.836 1.00 0.00 C ATOM 1762 CG ASP B 53 -18.850 12.346 0.435 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -18.463 13.238 -0.301 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -19.987 12.264 0.867 1.00 0.00 O ATOM 0 H ASP B 53 -15.919 10.001 1.473 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.688 12.755 1.941 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.186 11.033 -0.001 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.377 10.335 1.079 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.968 10.498 3.948 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.794 10.352 5.195 1.00 0.00 C ATOM 1771 C ALA B 54 -18.200 11.189 6.340 1.00 0.00 C ATOM 1772 O ALA B 54 -18.925 11.756 7.140 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.742 8.857 5.522 1.00 0.00 C ATOM 0 H ALA B 54 -17.495 9.646 3.647 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.816 10.705 5.060 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -19.323 8.661 6.424 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -19.159 8.288 4.691 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.707 8.556 5.684 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.888 11.283 6.402 1.00 0.00 N ATOM 1780 CA GLN B 55 -16.211 12.091 7.467 1.00 0.00 C ATOM 1781 C GLN B 55 -16.140 13.569 7.045 1.00 0.00 C ATOM 1782 O GLN B 55 -16.279 14.458 7.866 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.808 11.483 7.564 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.885 10.075 8.165 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.516 9.417 8.043 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.946 8.971 9.018 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.956 9.349 6.870 1.00 0.00 N ATOM 0 H GLN B 55 -16.251 10.826 5.749 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.739 12.066 8.420 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -14.352 11.440 6.575 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -14.171 12.116 8.181 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -15.188 10.126 9.211 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.637 9.482 7.644 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.437 9.724 6.053 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -12.036 8.920 6.768 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.902 13.825 5.769 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.791 15.229 5.259 1.00 0.00 C ATOM 1798 C ALA B 56 -16.286 15.325 3.804 1.00 0.00 C ATOM 1799 O ALA B 56 -16.218 14.357 3.081 1.00 0.00 O ATOM 1800 CB ALA B 56 -14.296 15.510 5.319 1.00 0.00 C ATOM 0 H ALA B 56 -15.780 13.106 5.056 1.00 0.00 H new ATOM 0 HA ALA B 56 -16.390 15.934 5.836 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -14.101 16.522 4.964 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.949 15.413 6.348 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -13.766 14.796 4.688 1.00 0.00 H new ATOM 1806 N PRO B 57 -16.748 16.499 3.407 1.00 0.00 N ATOM 1807 CA PRO B 57 -17.234 16.693 2.009 1.00 0.00 C ATOM 1808 C PRO B 57 -16.047 16.710 1.025 1.00 0.00 C ATOM 1809 O PRO B 57 -14.980 17.215 1.341 1.00 0.00 O ATOM 1810 CB PRO B 57 -17.929 18.050 2.051 1.00 0.00 C ATOM 1811 CG PRO B 57 -17.286 18.775 3.187 1.00 0.00 C ATOM 1812 CD PRO B 57 -16.857 17.737 4.193 1.00 0.00 C ATOM 0 HA PRO B 57 -17.896 15.895 1.672 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -17.799 18.590 1.113 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -19.002 17.940 2.209 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -16.429 19.351 2.839 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.984 19.481 3.637 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.906 18.000 4.656 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -17.586 17.636 4.997 1.00 0.00 H new ATOM 1820 N LYS B 58 -16.234 16.170 -0.158 1.00 0.00 N ATOM 1821 CA LYS B 58 -15.122 16.150 -1.178 1.00 0.00 C ATOM 1822 C LYS B 58 -14.905 17.556 -1.770 1.00 0.00 C ATOM 1823 O LYS B 58 -15.871 18.160 -2.217 1.00 0.00 O ATOM 1824 CB LYS B 58 -15.562 15.164 -2.273 1.00 0.00 C ATOM 1825 CG LYS B 58 -15.507 13.726 -1.745 1.00 0.00 C ATOM 1826 CD LYS B 58 -15.882 12.756 -2.872 1.00 0.00 C ATOM 1827 CE LYS B 58 -16.022 11.333 -2.311 1.00 0.00 C ATOM 1828 NZ LYS B 58 -17.460 10.966 -2.490 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.771 18.006 -1.759 1.00 0.00 O ATOM 0 H LYS B 58 -17.107 15.741 -0.466 1.00 0.00 H new ATOM 0 HA LYS B 58 -14.177 15.845 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -16.575 15.401 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -14.914 15.264 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -14.507 13.501 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -16.192 13.608 -0.906 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -16.818 13.067 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -15.119 12.776 -3.650 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.372 10.637 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -15.737 11.297 -1.260 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -17.643 10.048 -2.036 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -18.061 11.694 -2.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -17.678 10.900 -3.505 1.00 0.00 H new TER 1843 LYS B 58