USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 52 ASN : amide:sc= -3.4! C(o=-3.1!,f=-10!) USER MOD Set 1.2: B 58 LYS NZ :NH3+ -162:sc= 0.28 (180deg=-0.484) USER MOD Set 2.1: A 11 ASN : amide:sc= 0 X(o=0.61,f=0.45) USER MOD Set 2.2: B 28 LYS NZ :NH3+ -144:sc= 0.606 (180deg=0.219) USER MOD Set 3.1: B 23 ASN : amide:sc= -3.09 K(o=-9.7,f=-23!) USER MOD Set 3.2: B 26 GLN : amide:sc= -4.75! C(o=-9.7!,f=-13!) USER MOD Set 3.3: B 55 GLN : amide:sc= -1.89! X(o=-9.7!,f=-9.5) USER MOD Set 4.1: A 28 ASN : amide:sc= -6.84! C(o=-6.9!,f=-11!) USER MOD Set 4.2: B 10 SER OG : rot -170:sc= -0.0709 USER MOD Set 5.1: A 21 ASN : amide:sc= -0.93 K(o=-2.2,f=-3.6) USER MOD Set 5.2: A 52 ASN : amide:sc= -1.28! C(o=-2.2!,f=-3.6!) USER MOD Set 6.1: A 35 LYS NZ :NH3+ -160:sc= -0.0681 (180deg=-0.148) USER MOD Set 6.2: B 6 ASN : amide:sc= -3.22 K(o=-3.3,f=-5.9!) USER MOD Set 7.1: A 23 ASN : amide:sc= -0.866 K(o=-1.2,f=-9.7!) USER MOD Set 7.2: A 55 GLN : amide:sc= -0.286 K(o=-1.2,f=-5.4!) USER MOD Set 8.1: A 14 TYR OH : rot 180:sc= -0.917! USER MOD Set 8.2: A 18 HIS : no HD1:sc= -20.3! C(o=-21!,f=-26!) USER MOD Set 9.1: A 1 VAL N :NH3+ -165:sc= 0.12 (180deg=-0.162) USER MOD Set 9.2: A 6 ASN : amide:sc= 0.267 K(o=-1.9,f=-7.9!) USER MOD Set 9.3: A 10 GLN : amide:sc= -2.28 K(o=-1.9,f=-9.2!) USER MOD Single : A 3 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.3) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -1.59! C(o=-1.6!,f=-4.1!) USER MOD Single : A 26 GLN : amide:sc= -1.03 K(o=-1,f=-5.2!) USER MOD Single : A 32 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.8) USER MOD Single : A 33 SER OG : rot 6:sc= -0.214 USER MOD Single : A 39 SER OG : rot -31:sc= 0.339 USER MOD Single : A 40 GLN : amide:sc= -0.81 K(o=-0.81,f=-4.4!) USER MOD Single : A 41 SER OG : rot -96:sc= 0.708 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 VAL N :NH3+ -176:sc= -0.98 (180deg=-1.02) USER MOD Single : B 3 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.019) USER MOD Single : B 4 LYS NZ :NH3+ -173:sc= 0.00219 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 168:sc= 0.00128 (180deg=-0.00504) USER MOD Single : B 18 THR OG1 : rot -82:sc= 1.27 USER MOD Single : B 21 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.6!) USER MOD Single : B 27 LYS NZ :NH3+ 165:sc= 0.517 (180deg=0.368) USER MOD Single : B 33 SER OG : rot -17:sc= -0.0333 USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc=-0.00181 X(o=-0.0018,f=0) USER MOD Single : B 41 SER OG : rot -96:sc= -1.03 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : B 49 LYS NZ :NH3+ 167:sc= 0.315 (180deg=0.197) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.686 -11.392 4.931 1.00 0.00 N ATOM 2 CA VAL A 1 -5.042 -12.064 6.109 1.00 0.00 C ATOM 3 C VAL A 1 -5.204 -13.591 5.981 1.00 0.00 C ATOM 4 O VAL A 1 -6.310 -14.109 6.010 1.00 0.00 O ATOM 5 CB VAL A 1 -5.768 -11.522 7.364 1.00 0.00 C ATOM 6 CG1 VAL A 1 -5.315 -12.292 8.612 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.439 -10.034 7.553 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.366 -10.404 4.878 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.418 -11.890 4.058 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.720 -11.416 5.040 1.00 0.00 H new ATOM 0 HA VAL A 1 -3.973 -11.858 6.170 1.00 0.00 H new ATOM 0 HB VAL A 1 -6.842 -11.651 7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -5.833 -11.902 9.488 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.551 -13.349 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.239 -12.173 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.952 -9.657 8.438 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -4.363 -9.912 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -5.768 -9.475 6.677 1.00 0.00 H new ATOM 19 N ASP A 2 -4.105 -14.303 5.828 1.00 0.00 N ATOM 20 CA ASP A 2 -4.164 -15.798 5.681 1.00 0.00 C ATOM 21 C ASP A 2 -3.068 -16.467 6.531 1.00 0.00 C ATOM 22 O ASP A 2 -3.358 -17.295 7.376 1.00 0.00 O ATOM 23 CB ASP A 2 -3.938 -16.070 4.181 1.00 0.00 C ATOM 24 CG ASP A 2 -5.081 -15.459 3.353 1.00 0.00 C ATOM 25 OD1 ASP A 2 -6.156 -16.038 3.344 1.00 0.00 O ATOM 26 OD2 ASP A 2 -4.862 -14.426 2.745 1.00 0.00 O ATOM 0 H ASP A 2 -3.165 -13.909 5.799 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.115 -16.204 6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.984 -15.646 3.867 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.884 -17.144 4.003 1.00 0.00 H new ATOM 31 N ASN A 3 -1.818 -16.105 6.312 1.00 0.00 N ATOM 32 CA ASN A 3 -0.680 -16.701 7.096 1.00 0.00 C ATOM 33 C ASN A 3 0.292 -15.598 7.578 1.00 0.00 C ATOM 34 O ASN A 3 0.024 -14.415 7.428 1.00 0.00 O ATOM 35 CB ASN A 3 0.007 -17.694 6.131 1.00 0.00 C ATOM 36 CG ASN A 3 0.652 -16.960 4.944 1.00 0.00 C ATOM 37 OD1 ASN A 3 1.772 -16.498 5.035 1.00 0.00 O ATOM 38 ND2 ASN A 3 -0.009 -16.838 3.824 1.00 0.00 N ATOM 0 H ASN A 3 -1.537 -15.415 5.616 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.023 -17.206 7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.768 -18.260 6.669 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.725 -18.413 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.415 -16.357 3.031 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.950 -17.224 3.742 1.00 0.00 H new ATOM 45 N LYS A 4 1.409 -15.991 8.168 1.00 0.00 N ATOM 46 CA LYS A 4 2.422 -14.996 8.692 1.00 0.00 C ATOM 47 C LYS A 4 2.895 -14.020 7.596 1.00 0.00 C ATOM 48 O LYS A 4 2.817 -12.817 7.769 1.00 0.00 O ATOM 49 CB LYS A 4 3.596 -15.866 9.191 1.00 0.00 C ATOM 50 CG LYS A 4 4.791 -14.989 9.604 1.00 0.00 C ATOM 51 CD LYS A 4 5.924 -15.878 10.125 1.00 0.00 C ATOM 52 CE LYS A 4 7.102 -15.003 10.579 1.00 0.00 C ATOM 53 NZ LYS A 4 6.820 -14.651 12.007 1.00 0.00 N ATOM 0 H LYS A 4 1.665 -16.968 8.310 1.00 0.00 H new ATOM 0 HA LYS A 4 1.997 -14.368 9.475 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.272 -16.469 10.039 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.901 -16.558 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.137 -14.403 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.486 -14.281 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.569 -16.486 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.249 -16.565 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.046 -15.540 10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.184 -14.107 9.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.588 -14.054 12.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.920 -14.133 12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.756 -15.521 12.573 1.00 0.00 H new ATOM 67 N PHE A 5 3.396 -14.532 6.492 1.00 0.00 N ATOM 68 CA PHE A 5 3.904 -13.644 5.394 1.00 0.00 C ATOM 69 C PHE A 5 2.778 -12.881 4.686 1.00 0.00 C ATOM 70 O PHE A 5 3.002 -11.782 4.218 1.00 0.00 O ATOM 71 CB PHE A 5 4.666 -14.563 4.425 1.00 0.00 C ATOM 72 CG PHE A 5 5.931 -15.026 5.111 1.00 0.00 C ATOM 73 CD1 PHE A 5 7.053 -14.188 5.153 1.00 0.00 C ATOM 74 CD2 PHE A 5 5.970 -16.279 5.738 1.00 0.00 C ATOM 75 CE1 PHE A 5 8.208 -14.601 5.824 1.00 0.00 C ATOM 76 CE2 PHE A 5 7.128 -16.693 6.401 1.00 0.00 C ATOM 77 CZ PHE A 5 8.245 -15.853 6.446 1.00 0.00 C ATOM 0 H PHE A 5 3.475 -15.532 6.305 1.00 0.00 H new ATOM 0 HA PHE A 5 4.552 -12.867 5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.049 -15.418 4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.906 -14.030 3.505 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.026 -13.224 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.105 -16.925 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 5 9.071 -13.953 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 5 7.160 -17.661 6.878 1.00 0.00 H new ATOM 0 HZ PHE A 5 9.138 -16.172 6.962 1.00 0.00 H new ATOM 87 N ASN A 6 1.575 -13.434 4.607 1.00 0.00 N ATOM 88 CA ASN A 6 0.443 -12.704 3.927 1.00 0.00 C ATOM 89 C ASN A 6 0.244 -11.314 4.559 1.00 0.00 C ATOM 90 O ASN A 6 0.185 -10.324 3.852 1.00 0.00 O ATOM 91 CB ASN A 6 -0.798 -13.574 4.138 1.00 0.00 C ATOM 92 CG ASN A 6 -1.991 -12.967 3.397 1.00 0.00 C ATOM 93 OD1 ASN A 6 -2.837 -12.351 4.005 1.00 0.00 O ATOM 94 ND2 ASN A 6 -2.097 -13.115 2.104 1.00 0.00 N ATOM 0 H ASN A 6 1.333 -14.351 4.982 1.00 0.00 H new ATOM 0 HA ASN A 6 0.645 -12.545 2.868 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.610 -14.585 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.021 -13.653 5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.892 -12.712 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.385 -13.634 1.590 1.00 0.00 H new ATOM 101 N LYS A 7 0.178 -11.229 5.883 1.00 0.00 N ATOM 102 CA LYS A 7 0.028 -9.888 6.534 1.00 0.00 C ATOM 103 C LYS A 7 1.358 -9.131 6.537 1.00 0.00 C ATOM 104 O LYS A 7 1.344 -7.932 6.443 1.00 0.00 O ATOM 105 CB LYS A 7 -0.498 -10.104 7.945 1.00 0.00 C ATOM 106 CG LYS A 7 -0.400 -8.793 8.724 1.00 0.00 C ATOM 107 CD LYS A 7 -0.990 -9.002 10.099 1.00 0.00 C ATOM 108 CE LYS A 7 -0.635 -7.817 11.013 1.00 0.00 C ATOM 109 NZ LYS A 7 0.708 -8.137 11.590 1.00 0.00 N ATOM 0 H LYS A 7 0.222 -12.022 6.523 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.677 -9.274 5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.533 -10.445 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.078 -10.882 8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.640 -8.477 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.935 -8.001 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.073 -9.104 10.027 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.611 -9.929 10.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.607 -6.884 10.451 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.379 -7.693 11.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.006 -7.367 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.652 -9.025 12.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.400 -8.241 10.821 1.00 0.00 H new ATOM 123 N GLU A 8 2.503 -9.798 6.614 1.00 0.00 N ATOM 124 CA GLU A 8 3.803 -9.034 6.555 1.00 0.00 C ATOM 125 C GLU A 8 3.835 -8.300 5.219 1.00 0.00 C ATOM 126 O GLU A 8 4.195 -7.147 5.154 1.00 0.00 O ATOM 127 CB GLU A 8 4.964 -10.028 6.610 1.00 0.00 C ATOM 128 CG GLU A 8 5.134 -10.608 8.018 1.00 0.00 C ATOM 129 CD GLU A 8 5.261 -9.483 9.063 1.00 0.00 C ATOM 130 OE1 GLU A 8 6.196 -8.701 8.964 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.410 -9.419 9.936 1.00 0.00 O ATOM 0 H GLU A 8 2.590 -10.810 6.712 1.00 0.00 H new ATOM 0 HA GLU A 8 3.887 -8.334 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.787 -10.836 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.885 -9.532 6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.280 -11.241 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.020 -11.242 8.050 1.00 0.00 H new ATOM 138 N GLN A 9 3.380 -8.961 4.164 1.00 0.00 N ATOM 139 CA GLN A 9 3.281 -8.307 2.833 1.00 0.00 C ATOM 140 C GLN A 9 2.212 -7.202 2.930 1.00 0.00 C ATOM 141 O GLN A 9 2.387 -6.127 2.428 1.00 0.00 O ATOM 142 CB GLN A 9 2.817 -9.384 1.849 1.00 0.00 C ATOM 143 CG GLN A 9 3.885 -10.452 1.618 1.00 0.00 C ATOM 144 CD GLN A 9 3.249 -11.610 0.844 1.00 0.00 C ATOM 145 OE1 GLN A 9 2.754 -12.551 1.433 1.00 0.00 O ATOM 146 NE2 GLN A 9 3.230 -11.584 -0.463 1.00 0.00 N ATOM 0 H GLN A 9 3.074 -9.934 4.184 1.00 0.00 H new ATOM 0 HA GLN A 9 4.228 -7.873 2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 9 1.911 -9.855 2.229 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.559 -8.918 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.723 -10.036 1.058 1.00 0.00 H new ATOM 0 HG3 GLN A 9 4.282 -10.804 2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.644 -10.797 -0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.802 -12.350 -0.982 1.00 0.00 H new ATOM 155 N GLN A 10 1.120 -7.482 3.625 1.00 0.00 N ATOM 156 CA GLN A 10 0.016 -6.474 3.837 1.00 0.00 C ATOM 157 C GLN A 10 0.553 -5.263 4.616 1.00 0.00 C ATOM 158 O GLN A 10 0.280 -4.135 4.262 1.00 0.00 O ATOM 159 CB GLN A 10 -1.038 -7.238 4.652 1.00 0.00 C ATOM 160 CG GLN A 10 -2.425 -7.046 4.035 1.00 0.00 C ATOM 161 CD GLN A 10 -2.987 -8.381 3.523 1.00 0.00 C ATOM 162 OE1 GLN A 10 -3.484 -8.457 2.423 1.00 0.00 O ATOM 163 NE2 GLN A 10 -2.958 -9.444 4.288 1.00 0.00 N ATOM 0 H GLN A 10 0.946 -8.387 4.062 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.393 -6.083 2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.788 -8.299 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.038 -6.883 5.683 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.102 -6.623 4.777 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.366 -6.332 3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.541 -9.392 5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.352 -10.324 3.954 1.00 0.00 H new ATOM 172 N ASN A 11 1.329 -5.503 5.655 1.00 0.00 N ATOM 173 CA ASN A 11 1.925 -4.393 6.463 1.00 0.00 C ATOM 174 C ASN A 11 3.048 -3.721 5.671 1.00 0.00 C ATOM 175 O ASN A 11 3.128 -2.520 5.627 1.00 0.00 O ATOM 176 CB ASN A 11 2.497 -5.049 7.728 1.00 0.00 C ATOM 177 CG ASN A 11 2.710 -3.981 8.805 1.00 0.00 C ATOM 178 OD1 ASN A 11 1.761 -3.511 9.406 1.00 0.00 O ATOM 179 ND2 ASN A 11 3.919 -3.570 9.075 1.00 0.00 N ATOM 0 H ASN A 11 1.575 -6.439 5.978 1.00 0.00 H new ATOM 0 HA ASN A 11 1.185 -3.631 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.815 -5.817 8.092 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.441 -5.543 7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.068 -2.856 9.788 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.715 -3.963 8.573 1.00 0.00 H new ATOM 186 N ALA A 12 3.904 -4.503 5.035 1.00 0.00 N ATOM 187 CA ALA A 12 5.016 -3.913 4.217 1.00 0.00 C ATOM 188 C ALA A 12 4.412 -3.120 3.062 1.00 0.00 C ATOM 189 O ALA A 12 4.824 -2.017 2.795 1.00 0.00 O ATOM 190 CB ALA A 12 5.826 -5.091 3.680 1.00 0.00 C ATOM 0 H ALA A 12 3.876 -5.523 5.050 1.00 0.00 H new ATOM 0 HA ALA A 12 5.646 -3.243 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.652 -4.719 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.220 -5.672 4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 12 5.184 -5.725 3.068 1.00 0.00 H new ATOM 196 N PHE A 13 3.396 -3.670 2.419 1.00 0.00 N ATOM 197 CA PHE A 13 2.688 -2.953 1.312 1.00 0.00 C ATOM 198 C PHE A 13 2.124 -1.661 1.886 1.00 0.00 C ATOM 199 O PHE A 13 2.413 -0.581 1.412 1.00 0.00 O ATOM 200 CB PHE A 13 1.535 -3.892 0.894 1.00 0.00 C ATOM 201 CG PHE A 13 0.567 -3.172 0.004 1.00 0.00 C ATOM 202 CD1 PHE A 13 1.015 -2.606 -1.182 1.00 0.00 C ATOM 203 CD2 PHE A 13 -0.782 -3.103 0.352 1.00 0.00 C ATOM 204 CE1 PHE A 13 0.119 -1.964 -2.025 1.00 0.00 C ATOM 205 CE2 PHE A 13 -1.683 -2.473 -0.493 1.00 0.00 C ATOM 206 CZ PHE A 13 -1.237 -1.903 -1.678 1.00 0.00 C ATOM 0 H PHE A 13 3.028 -4.599 2.623 1.00 0.00 H new ATOM 0 HA PHE A 13 3.332 -2.715 0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.937 -4.762 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.018 -4.260 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.060 -2.665 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.124 -3.540 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.465 -1.514 -2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.729 -2.426 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.938 -1.410 -2.335 1.00 0.00 H new ATOM 216 N TYR A 14 1.348 -1.806 2.936 1.00 0.00 N ATOM 217 CA TYR A 14 0.739 -0.647 3.636 1.00 0.00 C ATOM 218 C TYR A 14 1.814 0.397 3.975 1.00 0.00 C ATOM 219 O TYR A 14 1.700 1.544 3.601 1.00 0.00 O ATOM 220 CB TYR A 14 0.166 -1.280 4.903 1.00 0.00 C ATOM 221 CG TYR A 14 -0.490 -0.247 5.757 1.00 0.00 C ATOM 222 CD1 TYR A 14 -1.745 0.238 5.410 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.151 0.200 6.912 1.00 0.00 C ATOM 224 CE1 TYR A 14 -2.362 1.167 6.209 1.00 0.00 C ATOM 225 CE2 TYR A 14 -0.462 1.152 7.720 1.00 0.00 C ATOM 226 CZ TYR A 14 -1.720 1.640 7.372 1.00 0.00 C ATOM 227 OH TYR A 14 -2.333 2.599 8.163 1.00 0.00 O ATOM 0 H TYR A 14 1.110 -2.711 3.342 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.011 -0.121 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.557 -2.051 4.636 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.962 -1.770 5.463 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.233 -0.115 4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.121 -0.192 7.179 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.342 1.537 5.947 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.033 1.510 8.610 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.755 2.812 8.925 1.00 0.00 H new ATOM 237 N GLU A 15 2.867 -0.014 4.647 1.00 0.00 N ATOM 238 CA GLU A 15 3.970 0.930 5.005 1.00 0.00 C ATOM 239 C GLU A 15 4.631 1.494 3.735 1.00 0.00 C ATOM 240 O GLU A 15 4.856 2.680 3.667 1.00 0.00 O ATOM 241 CB GLU A 15 4.959 0.117 5.848 1.00 0.00 C ATOM 242 CG GLU A 15 4.338 -0.240 7.218 1.00 0.00 C ATOM 243 CD GLU A 15 4.007 1.037 8.007 1.00 0.00 C ATOM 244 OE1 GLU A 15 4.919 1.801 8.283 1.00 0.00 O ATOM 245 OE2 GLU A 15 2.846 1.221 8.332 1.00 0.00 O ATOM 0 H GLU A 15 3.007 -0.973 4.964 1.00 0.00 H new ATOM 0 HA GLU A 15 3.605 1.792 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.234 -0.795 5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.876 0.688 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.433 -0.829 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.031 -0.858 7.789 1.00 0.00 H new ATOM 252 N ILE A 16 4.888 0.677 2.709 1.00 0.00 N ATOM 253 CA ILE A 16 5.476 1.227 1.417 1.00 0.00 C ATOM 254 C ILE A 16 4.587 2.390 0.934 1.00 0.00 C ATOM 255 O ILE A 16 5.070 3.447 0.562 1.00 0.00 O ATOM 256 CB ILE A 16 5.487 0.034 0.409 1.00 0.00 C ATOM 257 CG1 ILE A 16 6.861 -0.642 0.482 1.00 0.00 C ATOM 258 CG2 ILE A 16 5.225 0.490 -1.043 1.00 0.00 C ATOM 259 CD1 ILE A 16 6.700 -2.156 0.520 1.00 0.00 C ATOM 0 H ILE A 16 4.718 -0.329 2.712 1.00 0.00 H new ATOM 0 HA ILE A 16 6.486 1.619 1.533 1.00 0.00 H new ATOM 0 HB ILE A 16 4.687 -0.653 0.684 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.462 -0.354 -0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.395 -0.303 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.243 -0.376 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.249 0.972 -1.102 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.998 1.196 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.682 -2.625 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.117 -2.438 1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 16 6.186 -2.490 -0.381 1.00 0.00 H new ATOM 271 N LEU A 17 3.291 2.184 0.974 1.00 0.00 N ATOM 272 CA LEU A 17 2.307 3.251 0.560 1.00 0.00 C ATOM 273 C LEU A 17 2.283 4.417 1.574 1.00 0.00 C ATOM 274 O LEU A 17 2.173 5.567 1.191 1.00 0.00 O ATOM 275 CB LEU A 17 0.938 2.558 0.550 1.00 0.00 C ATOM 276 CG LEU A 17 0.944 1.425 -0.469 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.136 0.265 0.042 1.00 0.00 C ATOM 278 CD2 LEU A 17 0.278 1.851 -1.741 1.00 0.00 C ATOM 0 H LEU A 17 2.862 1.311 1.280 1.00 0.00 H new ATOM 0 HA LEU A 17 2.575 3.674 -0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.710 2.167 1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.157 3.277 0.304 1.00 0.00 H new ATOM 0 HG LEU A 17 1.986 1.154 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.147 -0.539 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.566 -0.094 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.892 0.585 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.294 1.027 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.755 2.132 -1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.809 2.705 -2.162 1.00 0.00 H new ATOM 290 N HIS A 18 2.367 4.127 2.865 1.00 0.00 N ATOM 291 CA HIS A 18 2.328 5.217 3.907 1.00 0.00 C ATOM 292 C HIS A 18 3.673 5.974 4.024 1.00 0.00 C ATOM 293 O HIS A 18 3.696 7.079 4.540 1.00 0.00 O ATOM 294 CB HIS A 18 2.024 4.537 5.254 1.00 0.00 C ATOM 295 CG HIS A 18 0.557 4.245 5.376 1.00 0.00 C ATOM 296 ND1 HIS A 18 -0.387 5.208 5.733 1.00 0.00 N ATOM 297 CD2 HIS A 18 -0.160 3.110 5.155 1.00 0.00 C ATOM 298 CE1 HIS A 18 -1.592 4.600 5.692 1.00 0.00 C ATOM 299 NE2 HIS A 18 -1.488 3.371 5.341 1.00 0.00 N ATOM 0 H HIS A 18 2.461 3.182 3.238 1.00 0.00 H new ATOM 0 HA HIS A 18 1.572 5.949 3.625 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.593 3.611 5.337 1.00 0.00 H new ATOM 0 HB3 HIS A 18 2.342 5.182 6.073 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.256 2.153 4.876 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.527 5.088 5.926 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.256 2.710 5.222 1.00 0.00 H new ATOM 307 N LEU A 19 4.792 5.394 3.580 1.00 0.00 N ATOM 308 CA LEU A 19 6.127 6.093 3.709 1.00 0.00 C ATOM 309 C LEU A 19 6.055 7.494 3.062 1.00 0.00 C ATOM 310 O LEU A 19 5.617 7.627 1.929 1.00 0.00 O ATOM 311 CB LEU A 19 7.166 5.217 2.979 1.00 0.00 C ATOM 312 CG LEU A 19 7.615 4.029 3.859 1.00 0.00 C ATOM 313 CD1 LEU A 19 8.508 3.107 3.026 1.00 0.00 C ATOM 314 CD2 LEU A 19 8.404 4.517 5.089 1.00 0.00 C ATOM 0 H LEU A 19 4.830 4.475 3.139 1.00 0.00 H new ATOM 0 HA LEU A 19 6.401 6.225 4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.740 4.842 2.048 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.032 5.822 2.712 1.00 0.00 H new ATOM 0 HG LEU A 19 6.729 3.497 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.831 2.264 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.949 2.738 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.381 3.661 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.707 3.660 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.289 5.062 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.774 5.175 5.687 1.00 0.00 H new ATOM 326 N PRO A 20 6.458 8.501 3.825 1.00 0.00 N ATOM 327 CA PRO A 20 6.400 9.914 3.342 1.00 0.00 C ATOM 328 C PRO A 20 7.442 10.233 2.248 1.00 0.00 C ATOM 329 O PRO A 20 7.352 11.275 1.621 1.00 0.00 O ATOM 330 CB PRO A 20 6.689 10.734 4.598 1.00 0.00 C ATOM 331 CG PRO A 20 7.470 9.824 5.488 1.00 0.00 C ATOM 332 CD PRO A 20 7.002 8.425 5.196 1.00 0.00 C ATOM 0 HA PRO A 20 5.438 10.129 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.256 11.634 4.359 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.766 11.058 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.539 9.922 5.299 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.308 10.075 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.822 7.710 5.259 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.242 8.103 5.908 1.00 0.00 H new ATOM 340 N ASN A 21 8.436 9.384 2.023 1.00 0.00 N ATOM 341 CA ASN A 21 9.465 9.705 0.984 1.00 0.00 C ATOM 342 C ASN A 21 9.525 8.629 -0.122 1.00 0.00 C ATOM 343 O ASN A 21 10.439 8.636 -0.930 1.00 0.00 O ATOM 344 CB ASN A 21 10.781 9.781 1.763 1.00 0.00 C ATOM 345 CG ASN A 21 10.713 10.898 2.805 1.00 0.00 C ATOM 346 OD1 ASN A 21 10.494 10.645 3.971 1.00 0.00 O ATOM 347 ND2 ASN A 21 10.900 12.124 2.432 1.00 0.00 N ATOM 0 H ASN A 21 8.570 8.498 2.511 1.00 0.00 H new ATOM 0 HA ASN A 21 9.238 10.633 0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.978 8.828 2.253 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.608 9.963 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.863 12.877 3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.084 12.336 1.451 1.00 0.00 H new ATOM 354 N LEU A 22 8.549 7.729 -0.194 1.00 0.00 N ATOM 355 CA LEU A 22 8.567 6.701 -1.284 1.00 0.00 C ATOM 356 C LEU A 22 7.831 7.237 -2.508 1.00 0.00 C ATOM 357 O LEU A 22 6.727 7.754 -2.412 1.00 0.00 O ATOM 358 CB LEU A 22 7.867 5.432 -0.742 1.00 0.00 C ATOM 359 CG LEU A 22 8.856 4.462 -0.042 1.00 0.00 C ATOM 360 CD1 LEU A 22 8.420 3.020 -0.301 1.00 0.00 C ATOM 361 CD2 LEU A 22 10.282 4.618 -0.578 1.00 0.00 C ATOM 0 H LEU A 22 7.759 7.671 0.448 1.00 0.00 H new ATOM 0 HA LEU A 22 9.589 6.466 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.088 5.723 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.375 4.913 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 22 8.846 4.699 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.113 2.337 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.417 2.866 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.419 2.827 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.943 3.921 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.294 4.406 -1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.625 5.638 -0.407 1.00 0.00 H new ATOM 373 N ASN A 23 8.442 7.097 -3.655 1.00 0.00 N ATOM 374 CA ASN A 23 7.807 7.576 -4.931 1.00 0.00 C ATOM 375 C ASN A 23 7.235 6.389 -5.703 1.00 0.00 C ATOM 376 O ASN A 23 7.231 5.274 -5.221 1.00 0.00 O ATOM 377 CB ASN A 23 8.906 8.295 -5.748 1.00 0.00 C ATOM 378 CG ASN A 23 10.187 7.448 -5.846 1.00 0.00 C ATOM 379 OD1 ASN A 23 10.227 6.471 -6.561 1.00 0.00 O ATOM 380 ND2 ASN A 23 11.237 7.782 -5.143 1.00 0.00 N ATOM 0 H ASN A 23 9.361 6.669 -3.769 1.00 0.00 H new ATOM 0 HA ASN A 23 6.983 8.261 -4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.534 8.509 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 23 9.138 9.253 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 23 12.087 7.221 -5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 23 11.207 8.604 -4.540 1.00 0.00 H new ATOM 387 N GLU A 24 6.750 6.625 -6.896 1.00 0.00 N ATOM 388 CA GLU A 24 6.165 5.505 -7.710 1.00 0.00 C ATOM 389 C GLU A 24 7.243 4.472 -8.076 1.00 0.00 C ATOM 390 O GLU A 24 6.985 3.292 -8.053 1.00 0.00 O ATOM 391 CB GLU A 24 5.604 6.149 -8.985 1.00 0.00 C ATOM 392 CG GLU A 24 4.321 6.922 -8.664 1.00 0.00 C ATOM 393 CD GLU A 24 3.620 7.325 -9.961 1.00 0.00 C ATOM 394 OE1 GLU A 24 3.988 8.347 -10.521 1.00 0.00 O ATOM 395 OE2 GLU A 24 2.723 6.608 -10.373 1.00 0.00 O ATOM 0 H GLU A 24 6.732 7.541 -7.344 1.00 0.00 H new ATOM 0 HA GLU A 24 5.393 4.980 -7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.344 6.822 -9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.398 5.380 -9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.657 6.306 -8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.558 7.809 -8.077 1.00 0.00 H new ATOM 402 N GLU A 25 8.448 4.894 -8.393 1.00 0.00 N ATOM 403 CA GLU A 25 9.515 3.898 -8.746 1.00 0.00 C ATOM 404 C GLU A 25 9.785 2.967 -7.549 1.00 0.00 C ATOM 405 O GLU A 25 9.831 1.760 -7.700 1.00 0.00 O ATOM 406 CB GLU A 25 10.760 4.727 -9.100 1.00 0.00 C ATOM 407 CG GLU A 25 11.875 3.810 -9.622 1.00 0.00 C ATOM 408 CD GLU A 25 13.134 4.637 -9.917 1.00 0.00 C ATOM 409 OE1 GLU A 25 13.725 5.149 -8.976 1.00 0.00 O ATOM 410 OE2 GLU A 25 13.487 4.747 -11.079 1.00 0.00 O ATOM 0 H GLU A 25 8.736 5.872 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 25 9.222 3.260 -9.580 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.508 5.472 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.107 5.270 -8.221 1.00 0.00 H new ATOM 0 HG2 GLU A 25 12.100 3.039 -8.884 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.544 3.299 -10.526 1.00 0.00 H new ATOM 417 N GLN A 26 9.937 3.524 -6.361 1.00 0.00 N ATOM 418 CA GLN A 26 10.199 2.673 -5.150 1.00 0.00 C ATOM 419 C GLN A 26 8.916 1.990 -4.647 1.00 0.00 C ATOM 420 O GLN A 26 8.882 0.784 -4.517 1.00 0.00 O ATOM 421 CB GLN A 26 10.767 3.619 -4.071 1.00 0.00 C ATOM 422 CG GLN A 26 12.057 4.315 -4.562 1.00 0.00 C ATOM 423 CD GLN A 26 13.011 3.316 -5.242 1.00 0.00 C ATOM 424 OE1 GLN A 26 13.280 2.249 -4.726 1.00 0.00 O ATOM 425 NE2 GLN A 26 13.538 3.619 -6.394 1.00 0.00 N ATOM 0 H GLN A 26 9.891 4.527 -6.181 1.00 0.00 H new ATOM 0 HA GLN A 26 10.897 1.871 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.021 4.370 -3.813 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.978 3.054 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.799 5.109 -5.263 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.562 4.786 -3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.319 4.512 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.170 2.963 -6.854 1.00 0.00 H new ATOM 434 N ARG A 27 7.876 2.750 -4.363 1.00 0.00 N ATOM 435 CA ARG A 27 6.591 2.151 -3.841 1.00 0.00 C ATOM 436 C ARG A 27 5.984 1.113 -4.808 1.00 0.00 C ATOM 437 O ARG A 27 5.607 0.033 -4.391 1.00 0.00 O ATOM 438 CB ARG A 27 5.614 3.333 -3.726 1.00 0.00 C ATOM 439 CG ARG A 27 4.225 2.862 -3.266 1.00 0.00 C ATOM 440 CD ARG A 27 3.122 3.550 -4.093 1.00 0.00 C ATOM 441 NE ARG A 27 3.473 5.011 -4.125 1.00 0.00 N ATOM 442 CZ ARG A 27 3.249 5.752 -5.194 1.00 0.00 C ATOM 443 NH1 ARG A 27 2.306 5.439 -6.055 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.968 6.835 -5.379 1.00 0.00 N ATOM 0 H ARG A 27 7.860 3.764 -4.470 1.00 0.00 H new ATOM 0 HA ARG A 27 6.778 1.634 -2.900 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.006 4.065 -3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.530 3.834 -4.690 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.147 1.780 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.089 3.088 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.077 3.138 -5.101 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.142 3.395 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 27 3.894 5.440 -3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.731 4.610 -5.903 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.149 6.025 -6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.686 7.092 -4.702 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.808 7.419 -6.200 1.00 0.00 H new ATOM 458 N ASN A 28 5.852 1.451 -6.083 1.00 0.00 N ATOM 459 CA ASN A 28 5.222 0.494 -7.068 1.00 0.00 C ATOM 460 C ASN A 28 6.119 -0.732 -7.247 1.00 0.00 C ATOM 461 O ASN A 28 5.635 -1.850 -7.251 1.00 0.00 O ATOM 462 CB ASN A 28 5.076 1.238 -8.409 1.00 0.00 C ATOM 463 CG ASN A 28 4.326 2.584 -8.274 1.00 0.00 C ATOM 464 OD1 ASN A 28 3.871 2.962 -7.211 1.00 0.00 O ATOM 465 ND2 ASN A 28 4.185 3.333 -9.333 1.00 0.00 N ATOM 0 H ASN A 28 6.152 2.342 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 28 4.250 0.157 -6.709 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.066 1.420 -8.827 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.544 0.601 -9.116 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.697 4.226 -9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.563 3.025 -10.229 1.00 0.00 H new ATOM 472 N ALA A 29 7.429 -0.532 -7.356 1.00 0.00 N ATOM 473 CA ALA A 29 8.366 -1.702 -7.491 1.00 0.00 C ATOM 474 C ALA A 29 8.264 -2.590 -6.255 1.00 0.00 C ATOM 475 O ALA A 29 8.310 -3.800 -6.352 1.00 0.00 O ATOM 476 CB ALA A 29 9.754 -1.105 -7.551 1.00 0.00 C ATOM 0 H ALA A 29 7.878 0.384 -7.357 1.00 0.00 H new ATOM 0 HA ALA A 29 8.133 -2.304 -8.369 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.490 -1.903 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.826 -0.437 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 29 9.948 -0.544 -6.637 1.00 0.00 H new ATOM 482 N PHE A 30 8.109 -1.980 -5.096 1.00 0.00 N ATOM 483 CA PHE A 30 7.973 -2.761 -3.832 1.00 0.00 C ATOM 484 C PHE A 30 6.733 -3.601 -3.878 1.00 0.00 C ATOM 485 O PHE A 30 6.774 -4.758 -3.576 1.00 0.00 O ATOM 486 CB PHE A 30 7.870 -1.730 -2.713 1.00 0.00 C ATOM 487 CG PHE A 30 9.256 -1.243 -2.362 1.00 0.00 C ATOM 488 CD1 PHE A 30 10.378 -2.063 -2.583 1.00 0.00 C ATOM 489 CD2 PHE A 30 9.421 0.019 -1.802 1.00 0.00 C ATOM 490 CE1 PHE A 30 11.636 -1.621 -2.249 1.00 0.00 C ATOM 491 CE2 PHE A 30 10.692 0.456 -1.462 1.00 0.00 C ATOM 492 CZ PHE A 30 11.801 -0.375 -1.687 1.00 0.00 C ATOM 0 H PHE A 30 8.072 -0.967 -4.979 1.00 0.00 H new ATOM 0 HA PHE A 30 8.818 -3.433 -3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.246 -0.894 -3.028 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.393 -2.171 -1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.250 -3.044 -3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.564 0.655 -1.633 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.495 -2.251 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.829 1.434 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.790 -0.035 -1.417 1.00 0.00 H new ATOM 502 N ILE A 31 5.647 -3.027 -4.299 1.00 0.00 N ATOM 503 CA ILE A 31 4.384 -3.799 -4.419 1.00 0.00 C ATOM 504 C ILE A 31 4.579 -4.929 -5.460 1.00 0.00 C ATOM 505 O ILE A 31 3.992 -5.984 -5.323 1.00 0.00 O ATOM 506 CB ILE A 31 3.346 -2.747 -4.808 1.00 0.00 C ATOM 507 CG1 ILE A 31 3.211 -1.777 -3.628 1.00 0.00 C ATOM 508 CG2 ILE A 31 2.009 -3.406 -5.086 1.00 0.00 C ATOM 509 CD1 ILE A 31 2.497 -0.507 -4.051 1.00 0.00 C ATOM 0 H ILE A 31 5.579 -2.046 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 31 4.065 -4.312 -3.512 1.00 0.00 H new ATOM 0 HB ILE A 31 3.658 -2.221 -5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.660 -2.257 -2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.199 -1.531 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.279 -2.645 -5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.118 -4.118 -5.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.668 -3.929 -4.192 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.413 0.165 -3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.063 -0.018 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.500 -0.754 -4.417 1.00 0.00 H new ATOM 521 N GLN A 32 5.449 -4.740 -6.451 1.00 0.00 N ATOM 522 CA GLN A 32 5.727 -5.843 -7.434 1.00 0.00 C ATOM 523 C GLN A 32 6.583 -6.934 -6.745 1.00 0.00 C ATOM 524 O GLN A 32 6.247 -8.100 -6.783 1.00 0.00 O ATOM 525 CB GLN A 32 6.473 -5.185 -8.604 1.00 0.00 C ATOM 526 CG GLN A 32 5.498 -4.297 -9.389 1.00 0.00 C ATOM 527 CD GLN A 32 6.251 -3.538 -10.486 1.00 0.00 C ATOM 528 OE1 GLN A 32 6.724 -2.442 -10.266 1.00 0.00 O ATOM 529 NE2 GLN A 32 6.386 -4.077 -11.669 1.00 0.00 N ATOM 0 H GLN A 32 5.968 -3.876 -6.612 1.00 0.00 H new ATOM 0 HA GLN A 32 4.820 -6.329 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.306 -4.589 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.895 -5.949 -9.257 1.00 0.00 H new ATOM 0 HG2 GLN A 32 4.712 -4.908 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.012 -3.592 -8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.990 -4.998 -11.858 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.887 -3.577 -12.403 1.00 0.00 H new ATOM 538 N SER A 33 7.656 -6.541 -6.070 1.00 0.00 N ATOM 539 CA SER A 33 8.529 -7.523 -5.316 1.00 0.00 C ATOM 540 C SER A 33 7.810 -8.086 -4.066 1.00 0.00 C ATOM 541 O SER A 33 8.141 -9.151 -3.585 1.00 0.00 O ATOM 542 CB SER A 33 9.778 -6.727 -4.914 1.00 0.00 C ATOM 543 OG SER A 33 9.394 -5.538 -4.237 1.00 0.00 O ATOM 0 H SER A 33 7.966 -5.571 -6.010 1.00 0.00 H new ATOM 0 HA SER A 33 8.773 -8.388 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.415 -7.333 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.363 -6.479 -5.800 1.00 0.00 H new ATOM 0 HG SER A 33 8.424 -5.540 -4.096 1.00 0.00 H new ATOM 549 N LEU A 34 6.855 -7.356 -3.536 1.00 0.00 N ATOM 550 CA LEU A 34 6.107 -7.781 -2.305 1.00 0.00 C ATOM 551 C LEU A 34 4.955 -8.747 -2.649 1.00 0.00 C ATOM 552 O LEU A 34 4.837 -9.796 -2.041 1.00 0.00 O ATOM 553 CB LEU A 34 5.599 -6.444 -1.744 1.00 0.00 C ATOM 554 CG LEU A 34 4.902 -6.602 -0.401 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.914 -6.918 0.679 1.00 0.00 C ATOM 556 CD2 LEU A 34 4.224 -5.288 -0.058 1.00 0.00 C ATOM 0 H LEU A 34 6.555 -6.458 -3.916 1.00 0.00 H new ATOM 0 HA LEU A 34 6.717 -8.336 -1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.438 -5.757 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.909 -5.993 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 34 4.177 -7.413 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.403 -7.029 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.430 -7.846 0.434 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.639 -6.107 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.718 -5.380 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.972 -4.497 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.495 -5.042 -0.830 1.00 0.00 H new ATOM 568 N LYS A 35 4.113 -8.408 -3.618 1.00 0.00 N ATOM 569 CA LYS A 35 2.969 -9.319 -4.006 1.00 0.00 C ATOM 570 C LYS A 35 3.521 -10.598 -4.663 1.00 0.00 C ATOM 571 O LYS A 35 2.972 -11.670 -4.477 1.00 0.00 O ATOM 572 CB LYS A 35 2.070 -8.511 -4.977 1.00 0.00 C ATOM 573 CG LYS A 35 0.812 -8.010 -4.262 1.00 0.00 C ATOM 574 CD LYS A 35 -0.435 -8.387 -5.065 1.00 0.00 C ATOM 575 CE LYS A 35 -0.482 -7.583 -6.377 1.00 0.00 C ATOM 576 NZ LYS A 35 -0.401 -8.595 -7.475 1.00 0.00 N ATOM 0 H LYS A 35 4.171 -7.542 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 35 2.388 -9.637 -3.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.628 -7.664 -5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.788 -9.136 -5.824 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.755 -8.443 -3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.861 -6.928 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.427 -9.455 -5.284 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.330 -8.189 -4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.401 -7.002 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.346 -6.877 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.091 -8.131 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.281 -9.335 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.337 -9.023 -7.622 1.00 0.00 H new ATOM 590 N ASP A 36 4.612 -10.497 -5.406 1.00 0.00 N ATOM 591 CA ASP A 36 5.216 -11.717 -6.050 1.00 0.00 C ATOM 592 C ASP A 36 6.114 -12.486 -5.050 1.00 0.00 C ATOM 593 O ASP A 36 6.139 -13.706 -5.068 1.00 0.00 O ATOM 594 CB ASP A 36 6.033 -11.199 -7.254 1.00 0.00 C ATOM 595 CG ASP A 36 5.124 -10.536 -8.323 1.00 0.00 C ATOM 596 OD1 ASP A 36 3.940 -10.849 -8.383 1.00 0.00 O ATOM 597 OD2 ASP A 36 5.639 -9.730 -9.079 1.00 0.00 O ATOM 0 H ASP A 36 5.106 -9.624 -5.592 1.00 0.00 H new ATOM 0 HA ASP A 36 4.448 -12.421 -6.369 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.773 -10.478 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.581 -12.026 -7.705 1.00 0.00 H new ATOM 602 N ASP A 37 6.842 -11.793 -4.177 1.00 0.00 N ATOM 603 CA ASP A 37 7.728 -12.498 -3.178 1.00 0.00 C ATOM 604 C ASP A 37 7.247 -12.226 -1.732 1.00 0.00 C ATOM 605 O ASP A 37 7.464 -11.146 -1.202 1.00 0.00 O ATOM 606 CB ASP A 37 9.144 -11.936 -3.395 1.00 0.00 C ATOM 607 CG ASP A 37 10.178 -12.955 -2.901 1.00 0.00 C ATOM 608 OD1 ASP A 37 10.298 -13.114 -1.697 1.00 0.00 O ATOM 609 OD2 ASP A 37 10.830 -13.558 -3.735 1.00 0.00 O ATOM 0 H ASP A 37 6.856 -10.775 -4.119 1.00 0.00 H new ATOM 0 HA ASP A 37 7.704 -13.579 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.304 -11.722 -4.452 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.260 -10.995 -2.858 1.00 0.00 H new ATOM 614 N PRO A 38 6.592 -13.219 -1.144 1.00 0.00 N ATOM 615 CA PRO A 38 6.063 -13.089 0.250 1.00 0.00 C ATOM 616 C PRO A 38 7.175 -13.038 1.322 1.00 0.00 C ATOM 617 O PRO A 38 7.066 -12.288 2.275 1.00 0.00 O ATOM 618 CB PRO A 38 5.208 -14.346 0.419 1.00 0.00 C ATOM 619 CG PRO A 38 5.786 -15.334 -0.534 1.00 0.00 C ATOM 620 CD PRO A 38 6.272 -14.544 -1.711 1.00 0.00 C ATOM 0 HA PRO A 38 5.515 -12.156 0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.247 -14.716 1.444 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.161 -14.145 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.604 -15.888 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.037 -16.065 -0.838 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.148 -15.005 -2.167 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.509 -14.473 -2.486 1.00 0.00 H new ATOM 628 N SER A 39 8.219 -13.841 1.192 1.00 0.00 N ATOM 629 CA SER A 39 9.320 -13.849 2.230 1.00 0.00 C ATOM 630 C SER A 39 10.112 -12.525 2.258 1.00 0.00 C ATOM 631 O SER A 39 10.575 -12.114 3.309 1.00 0.00 O ATOM 632 CB SER A 39 10.237 -15.029 1.858 1.00 0.00 C ATOM 633 OG SER A 39 10.943 -14.745 0.653 1.00 0.00 O ATOM 0 H SER A 39 8.356 -14.488 0.416 1.00 0.00 H new ATOM 0 HA SER A 39 8.901 -13.956 3.230 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.944 -15.218 2.666 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.644 -15.935 1.735 1.00 0.00 H new ATOM 0 HG SER A 39 10.390 -14.177 0.076 1.00 0.00 H new ATOM 639 N GLN A 40 10.264 -11.855 1.131 1.00 0.00 N ATOM 640 CA GLN A 40 11.020 -10.556 1.111 1.00 0.00 C ATOM 641 C GLN A 40 10.152 -9.382 1.619 1.00 0.00 C ATOM 642 O GLN A 40 10.640 -8.283 1.717 1.00 0.00 O ATOM 643 CB GLN A 40 11.392 -10.324 -0.365 1.00 0.00 C ATOM 644 CG GLN A 40 12.538 -9.311 -0.471 1.00 0.00 C ATOM 645 CD GLN A 40 12.771 -8.953 -1.942 1.00 0.00 C ATOM 646 OE1 GLN A 40 11.961 -8.283 -2.552 1.00 0.00 O ATOM 647 NE2 GLN A 40 13.851 -9.372 -2.547 1.00 0.00 N ATOM 0 H GLN A 40 9.897 -12.153 0.227 1.00 0.00 H new ATOM 0 HA GLN A 40 11.891 -10.605 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.687 -11.267 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.523 -9.960 -0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.298 -8.413 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 40 13.447 -9.729 -0.039 1.00 0.00 H new ATOM 0 HE21 GLN A 40 14.534 -9.935 -2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 40 14.011 -9.136 -3.526 1.00 0.00 H new ATOM 656 N SER A 41 8.873 -9.592 1.900 1.00 0.00 N ATOM 657 CA SER A 41 7.978 -8.457 2.334 1.00 0.00 C ATOM 658 C SER A 41 8.543 -7.612 3.488 1.00 0.00 C ATOM 659 O SER A 41 8.605 -6.405 3.356 1.00 0.00 O ATOM 660 CB SER A 41 6.641 -9.100 2.733 1.00 0.00 C ATOM 661 OG SER A 41 6.821 -9.951 3.863 1.00 0.00 O ATOM 0 H SER A 41 8.414 -10.501 1.846 1.00 0.00 H new ATOM 0 HA SER A 41 7.875 -7.750 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.911 -8.324 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.241 -9.674 1.897 1.00 0.00 H new ATOM 0 HG SER A 41 6.934 -10.876 3.561 1.00 0.00 H new ATOM 667 N ALA A 42 8.957 -8.195 4.603 1.00 0.00 N ATOM 668 CA ALA A 42 9.525 -7.330 5.704 1.00 0.00 C ATOM 669 C ALA A 42 10.747 -6.573 5.182 1.00 0.00 C ATOM 670 O ALA A 42 10.852 -5.377 5.359 1.00 0.00 O ATOM 671 CB ALA A 42 9.985 -8.260 6.791 1.00 0.00 C ATOM 0 H ALA A 42 8.928 -9.197 4.794 1.00 0.00 H new ATOM 0 HA ALA A 42 8.780 -6.618 6.058 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.405 -7.680 7.613 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.138 -8.842 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 42 10.746 -8.933 6.396 1.00 0.00 H new ATOM 677 N ASN A 43 11.644 -7.274 4.502 1.00 0.00 N ATOM 678 CA ASN A 43 12.847 -6.615 3.902 1.00 0.00 C ATOM 679 C ASN A 43 12.391 -5.524 2.952 1.00 0.00 C ATOM 680 O ASN A 43 12.998 -4.494 2.880 1.00 0.00 O ATOM 681 CB ASN A 43 13.568 -7.682 3.087 1.00 0.00 C ATOM 682 CG ASN A 43 14.822 -8.167 3.828 1.00 0.00 C ATOM 683 OD1 ASN A 43 15.895 -8.198 3.263 1.00 0.00 O ATOM 684 ND2 ASN A 43 14.735 -8.550 5.077 1.00 0.00 N ATOM 0 H ASN A 43 11.585 -8.280 4.342 1.00 0.00 H new ATOM 0 HA ASN A 43 13.487 -6.188 4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.899 -8.522 2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.847 -7.278 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 43 15.567 -8.873 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.835 -8.526 5.556 1.00 0.00 H new ATOM 691 N LEU A 44 11.305 -5.764 2.235 1.00 0.00 N ATOM 692 CA LEU A 44 10.761 -4.748 1.286 1.00 0.00 C ATOM 693 C LEU A 44 10.310 -3.536 2.032 1.00 0.00 C ATOM 694 O LEU A 44 10.597 -2.430 1.623 1.00 0.00 O ATOM 695 CB LEU A 44 9.599 -5.401 0.575 1.00 0.00 C ATOM 696 CG LEU A 44 10.169 -6.318 -0.475 1.00 0.00 C ATOM 697 CD1 LEU A 44 9.028 -7.076 -1.121 1.00 0.00 C ATOM 698 CD2 LEU A 44 10.931 -5.464 -1.490 1.00 0.00 C ATOM 0 H LEU A 44 10.774 -6.634 2.275 1.00 0.00 H new ATOM 0 HA LEU A 44 11.519 -4.425 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.984 -5.960 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.956 -4.648 0.119 1.00 0.00 H new ATOM 0 HG LEU A 44 10.860 -7.045 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.423 -7.746 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.503 -7.658 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.336 -6.370 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.354 -6.107 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.249 -4.748 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.734 -4.928 -0.984 1.00 0.00 H new ATOM 710 N LEU A 45 9.658 -3.718 3.151 1.00 0.00 N ATOM 711 CA LEU A 45 9.286 -2.522 3.933 1.00 0.00 C ATOM 712 C LEU A 45 10.573 -1.914 4.495 1.00 0.00 C ATOM 713 O LEU A 45 10.753 -0.735 4.435 1.00 0.00 O ATOM 714 CB LEU A 45 8.354 -2.973 5.031 1.00 0.00 C ATOM 715 CG LEU A 45 8.172 -1.835 6.033 1.00 0.00 C ATOM 716 CD1 LEU A 45 7.832 -0.522 5.292 1.00 0.00 C ATOM 717 CD2 LEU A 45 7.059 -2.224 6.994 1.00 0.00 C ATOM 0 H LEU A 45 9.378 -4.618 3.541 1.00 0.00 H new ATOM 0 HA LEU A 45 8.781 -1.766 3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.390 -3.262 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.760 -3.852 5.531 1.00 0.00 H new ATOM 0 HG LEU A 45 9.093 -1.667 6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.704 0.282 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.643 -0.269 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.909 -0.651 4.727 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.910 -1.425 7.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.136 -2.384 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.332 -3.142 7.515 1.00 0.00 H new ATOM 729 N ALA A 46 11.477 -2.729 5.005 1.00 0.00 N ATOM 730 CA ALA A 46 12.780 -2.184 5.526 1.00 0.00 C ATOM 731 C ALA A 46 13.507 -1.406 4.427 1.00 0.00 C ATOM 732 O ALA A 46 13.960 -0.317 4.668 1.00 0.00 O ATOM 733 CB ALA A 46 13.624 -3.397 5.863 1.00 0.00 C ATOM 0 H ALA A 46 11.369 -3.740 5.082 1.00 0.00 H new ATOM 0 HA ALA A 46 12.612 -1.523 6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.590 -3.072 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.115 -3.996 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.775 -3.996 4.965 1.00 0.00 H new ATOM 739 N GLU A 47 13.598 -1.959 3.225 1.00 0.00 N ATOM 740 CA GLU A 47 14.273 -1.227 2.108 1.00 0.00 C ATOM 741 C GLU A 47 13.400 -0.034 1.714 1.00 0.00 C ATOM 742 O GLU A 47 13.921 1.022 1.427 1.00 0.00 O ATOM 743 CB GLU A 47 14.527 -2.219 0.954 1.00 0.00 C ATOM 744 CG GLU A 47 13.266 -2.848 0.420 1.00 0.00 C ATOM 745 CD GLU A 47 13.657 -4.050 -0.454 1.00 0.00 C ATOM 746 OE1 GLU A 47 13.866 -3.861 -1.638 1.00 0.00 O ATOM 747 OE2 GLU A 47 13.764 -5.143 0.085 1.00 0.00 O ATOM 0 H GLU A 47 13.233 -2.880 2.981 1.00 0.00 H new ATOM 0 HA GLU A 47 15.244 -0.828 2.401 1.00 0.00 H new ATOM 0 HB2 GLU A 47 15.037 -1.699 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.198 -3.005 1.301 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.625 -3.169 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.698 -2.123 -0.164 1.00 0.00 H new ATOM 754 N ALA A 48 12.080 -0.165 1.758 1.00 0.00 N ATOM 755 CA ALA A 48 11.211 1.004 1.471 1.00 0.00 C ATOM 756 C ALA A 48 11.395 2.072 2.559 1.00 0.00 C ATOM 757 O ALA A 48 11.453 3.248 2.268 1.00 0.00 O ATOM 758 CB ALA A 48 9.805 0.439 1.527 1.00 0.00 C ATOM 0 H ALA A 48 11.587 -1.030 1.980 1.00 0.00 H new ATOM 0 HA ALA A 48 11.437 1.477 0.515 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.086 1.233 1.326 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.698 -0.346 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.619 0.023 2.517 1.00 0.00 H new ATOM 764 N LYS A 49 11.537 1.649 3.805 1.00 0.00 N ATOM 765 CA LYS A 49 11.772 2.602 4.932 1.00 0.00 C ATOM 766 C LYS A 49 13.197 3.142 4.797 1.00 0.00 C ATOM 767 O LYS A 49 13.456 4.316 4.967 1.00 0.00 O ATOM 768 CB LYS A 49 11.575 1.754 6.187 1.00 0.00 C ATOM 769 CG LYS A 49 10.152 1.997 6.685 1.00 0.00 C ATOM 770 CD LYS A 49 9.625 0.742 7.350 1.00 0.00 C ATOM 771 CE LYS A 49 10.125 0.700 8.786 1.00 0.00 C ATOM 772 NZ LYS A 49 9.406 -0.442 9.429 1.00 0.00 N ATOM 0 H LYS A 49 11.498 0.668 4.082 1.00 0.00 H new ATOM 0 HA LYS A 49 11.108 3.466 4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.728 0.698 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 49 12.301 2.027 6.953 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.140 2.827 7.391 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.507 2.277 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.535 0.733 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.961 -0.142 6.808 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.204 0.553 8.821 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.914 1.637 9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.705 -0.526 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.381 -0.273 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.631 -1.323 8.924 1.00 0.00 H new ATOM 786 N LYS A 50 14.093 2.269 4.391 1.00 0.00 N ATOM 787 CA LYS A 50 15.510 2.641 4.107 1.00 0.00 C ATOM 788 C LYS A 50 15.498 3.708 2.994 1.00 0.00 C ATOM 789 O LYS A 50 16.256 4.659 3.027 1.00 0.00 O ATOM 790 CB LYS A 50 16.131 1.304 3.643 1.00 0.00 C ATOM 791 CG LYS A 50 17.371 1.487 2.758 1.00 0.00 C ATOM 792 CD LYS A 50 17.458 0.295 1.788 1.00 0.00 C ATOM 793 CE LYS A 50 17.940 -0.956 2.539 1.00 0.00 C ATOM 794 NZ LYS A 50 18.162 -1.994 1.488 1.00 0.00 N ATOM 0 H LYS A 50 13.887 1.281 4.242 1.00 0.00 H new ATOM 0 HA LYS A 50 16.068 3.065 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.402 0.714 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.382 0.734 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.306 2.423 2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.270 1.542 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.482 0.107 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.144 0.527 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 50 18.858 -0.753 3.090 1.00 0.00 H new ATOM 0 HE3 LYS A 50 17.199 -1.287 3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.492 -2.874 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.270 -2.174 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.878 -1.657 0.813 1.00 0.00 H new ATOM 808 N LEU A 51 14.598 3.553 2.032 1.00 0.00 N ATOM 809 CA LEU A 51 14.463 4.549 0.923 1.00 0.00 C ATOM 810 C LEU A 51 13.794 5.820 1.438 1.00 0.00 C ATOM 811 O LEU A 51 14.171 6.906 1.073 1.00 0.00 O ATOM 812 CB LEU A 51 13.548 3.880 -0.111 1.00 0.00 C ATOM 813 CG LEU A 51 14.344 3.248 -1.259 1.00 0.00 C ATOM 814 CD1 LEU A 51 15.683 2.684 -0.776 1.00 0.00 C ATOM 815 CD2 LEU A 51 13.520 2.112 -1.830 1.00 0.00 C ATOM 0 H LEU A 51 13.950 2.767 1.977 1.00 0.00 H new ATOM 0 HA LEU A 51 15.432 4.825 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 51 12.947 3.113 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.855 4.619 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 51 14.549 4.015 -2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 51 16.218 2.245 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.282 3.486 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.504 1.919 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 14.064 1.644 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 13.331 1.373 -1.052 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.571 2.501 -2.199 1.00 0.00 H new ATOM 827 N ASN A 52 12.794 5.675 2.282 1.00 0.00 N ATOM 828 CA ASN A 52 12.075 6.863 2.833 1.00 0.00 C ATOM 829 C ASN A 52 13.061 7.763 3.608 1.00 0.00 C ATOM 830 O ASN A 52 12.983 8.970 3.520 1.00 0.00 O ATOM 831 CB ASN A 52 10.927 6.280 3.707 1.00 0.00 C ATOM 832 CG ASN A 52 11.059 6.664 5.191 1.00 0.00 C ATOM 833 OD1 ASN A 52 11.403 5.844 6.015 1.00 0.00 O ATOM 834 ND2 ASN A 52 10.783 7.879 5.563 1.00 0.00 N ATOM 0 H ASN A 52 12.446 4.775 2.612 1.00 0.00 H new ATOM 0 HA ASN A 52 11.653 7.511 2.065 1.00 0.00 H new ATOM 0 HB2 ASN A 52 9.969 6.636 3.327 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.922 5.194 3.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.856 8.140 6.546 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.493 8.571 4.872 1.00 0.00 H new ATOM 841 N ASP A 53 13.992 7.184 4.339 1.00 0.00 N ATOM 842 CA ASP A 53 14.994 8.017 5.095 1.00 0.00 C ATOM 843 C ASP A 53 16.154 8.453 4.176 1.00 0.00 C ATOM 844 O ASP A 53 16.620 9.576 4.262 1.00 0.00 O ATOM 845 CB ASP A 53 15.515 7.131 6.233 1.00 0.00 C ATOM 846 CG ASP A 53 14.366 6.698 7.165 1.00 0.00 C ATOM 847 OD1 ASP A 53 13.587 7.551 7.571 1.00 0.00 O ATOM 848 OD2 ASP A 53 14.294 5.519 7.466 1.00 0.00 O ATOM 0 H ASP A 53 14.102 6.175 4.445 1.00 0.00 H new ATOM 0 HA ASP A 53 14.535 8.929 5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.004 6.249 5.818 1.00 0.00 H new ATOM 0 HB3 ASP A 53 16.268 7.673 6.805 1.00 0.00 H new ATOM 853 N ALA A 54 16.620 7.575 3.298 1.00 0.00 N ATOM 854 CA ALA A 54 17.748 7.941 2.365 1.00 0.00 C ATOM 855 C ALA A 54 17.266 8.983 1.342 1.00 0.00 C ATOM 856 O ALA A 54 17.876 10.025 1.178 1.00 0.00 O ATOM 857 CB ALA A 54 18.145 6.636 1.668 1.00 0.00 C ATOM 0 H ALA A 54 16.266 6.624 3.190 1.00 0.00 H new ATOM 0 HA ALA A 54 18.593 8.381 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 18.962 6.829 0.973 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.466 5.909 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 54 17.289 6.241 1.121 1.00 0.00 H new ATOM 863 N GLN A 55 16.151 8.714 0.683 1.00 0.00 N ATOM 864 CA GLN A 55 15.576 9.690 -0.308 1.00 0.00 C ATOM 865 C GLN A 55 15.062 10.955 0.418 1.00 0.00 C ATOM 866 O GLN A 55 14.960 12.010 -0.183 1.00 0.00 O ATOM 867 CB GLN A 55 14.407 8.975 -1.003 1.00 0.00 C ATOM 868 CG GLN A 55 14.920 7.759 -1.798 1.00 0.00 C ATOM 869 CD GLN A 55 13.753 7.112 -2.552 1.00 0.00 C ATOM 870 OE1 GLN A 55 13.823 6.917 -3.749 1.00 0.00 O ATOM 871 NE2 GLN A 55 12.675 6.771 -1.899 1.00 0.00 N ATOM 0 H GLN A 55 15.614 7.854 0.793 1.00 0.00 H new ATOM 0 HA GLN A 55 16.333 10.005 -1.027 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.677 8.651 -0.261 1.00 0.00 H new ATOM 0 HB3 GLN A 55 13.896 9.666 -1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.693 8.070 -2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.376 7.035 -1.122 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.615 6.934 -0.894 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.893 6.342 -2.394 1.00 0.00 H new ATOM 880 N ALA A 56 14.727 10.843 1.704 1.00 0.00 N ATOM 881 CA ALA A 56 14.206 12.022 2.484 1.00 0.00 C ATOM 882 C ALA A 56 15.170 13.211 2.447 1.00 0.00 C ATOM 883 O ALA A 56 16.374 13.037 2.338 1.00 0.00 O ATOM 884 CB ALA A 56 14.064 11.563 3.938 1.00 0.00 C ATOM 0 H ALA A 56 14.796 9.978 2.240 1.00 0.00 H new ATOM 0 HA ALA A 56 13.262 12.349 2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.688 12.387 4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 56 13.367 10.727 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.036 11.248 4.317 1.00 0.00 H new ATOM 890 N PRO A 57 14.592 14.391 2.563 1.00 0.00 N ATOM 891 CA PRO A 57 15.396 15.640 2.568 1.00 0.00 C ATOM 892 C PRO A 57 16.227 15.777 3.863 1.00 0.00 C ATOM 893 O PRO A 57 17.305 16.346 3.845 1.00 0.00 O ATOM 894 CB PRO A 57 14.343 16.741 2.455 1.00 0.00 C ATOM 895 CG PRO A 57 13.091 16.139 3.006 1.00 0.00 C ATOM 896 CD PRO A 57 13.149 14.669 2.700 1.00 0.00 C ATOM 0 HA PRO A 57 16.129 15.673 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.636 17.626 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.208 17.053 1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.020 16.308 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.210 16.594 2.553 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.702 14.077 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.607 14.430 1.785 1.00 0.00 H new ATOM 904 N LYS A 58 15.733 15.260 4.979 1.00 0.00 N ATOM 905 CA LYS A 58 16.487 15.350 6.274 1.00 0.00 C ATOM 906 C LYS A 58 16.472 13.988 6.999 1.00 0.00 C ATOM 907 O LYS A 58 17.525 13.577 7.455 1.00 0.00 O ATOM 908 CB LYS A 58 15.746 16.420 7.091 1.00 0.00 C ATOM 909 CG LYS A 58 16.560 16.774 8.339 1.00 0.00 C ATOM 910 CD LYS A 58 15.787 17.790 9.187 1.00 0.00 C ATOM 911 CE LYS A 58 16.649 18.235 10.378 1.00 0.00 C ATOM 912 NZ LYS A 58 16.361 17.259 11.475 1.00 0.00 N ATOM 913 OXT LYS A 58 15.412 13.381 7.086 1.00 0.00 O ATOM 0 H LYS A 58 14.836 14.779 5.041 1.00 0.00 H new ATOM 0 HA LYS A 58 17.535 15.610 6.128 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.589 17.311 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.761 16.053 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.759 15.875 8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 58 17.526 17.187 8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.516 18.653 8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.857 17.347 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.708 18.230 10.118 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.400 19.251 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.919 17.508 12.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.348 17.289 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.615 16.300 11.162 1.00 0.00 H new TER 927 LYS A 58 ATOM 928 N VAL B 1 -5.854 -8.009 -20.098 1.00 0.00 N ATOM 929 CA VAL B 1 -4.789 -8.904 -20.689 1.00 0.00 C ATOM 930 C VAL B 1 -3.666 -9.199 -19.667 1.00 0.00 C ATOM 931 O VAL B 1 -3.140 -10.299 -19.638 1.00 0.00 O ATOM 932 CB VAL B 1 -4.220 -8.197 -21.955 1.00 0.00 C ATOM 933 CG1 VAL B 1 -5.325 -8.023 -23.003 1.00 0.00 C ATOM 934 CG2 VAL B 1 -3.623 -6.817 -21.619 1.00 0.00 C ATOM 0 H1 VAL B 1 -6.625 -7.886 -20.785 1.00 0.00 H new ATOM 0 H2 VAL B 1 -6.230 -8.443 -19.230 1.00 0.00 H new ATOM 0 H3 VAL B 1 -5.441 -7.082 -19.871 1.00 0.00 H new ATOM 0 HA VAL B 1 -5.224 -9.867 -20.958 1.00 0.00 H new ATOM 0 HB VAL B 1 -3.425 -8.829 -22.350 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -4.916 -7.528 -23.884 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -5.716 -9.001 -23.285 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -6.129 -7.417 -22.586 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -3.237 -6.356 -22.528 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -4.397 -6.180 -21.190 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -2.812 -6.937 -20.900 1.00 0.00 H new ATOM 946 N ASP B 2 -3.299 -8.237 -18.837 1.00 0.00 N ATOM 947 CA ASP B 2 -2.213 -8.468 -17.820 1.00 0.00 C ATOM 948 C ASP B 2 -2.744 -9.308 -16.648 1.00 0.00 C ATOM 949 O ASP B 2 -3.899 -9.189 -16.262 1.00 0.00 O ATOM 950 CB ASP B 2 -1.790 -7.071 -17.331 1.00 0.00 C ATOM 951 CG ASP B 2 -1.160 -6.277 -18.484 1.00 0.00 C ATOM 952 OD1 ASP B 2 -0.024 -6.565 -18.827 1.00 0.00 O ATOM 953 OD2 ASP B 2 -1.827 -5.401 -19.007 1.00 0.00 O ATOM 0 H ASP B 2 -3.707 -7.302 -18.823 1.00 0.00 H new ATOM 0 HA ASP B 2 -1.373 -9.014 -18.250 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -2.656 -6.536 -16.941 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -1.078 -7.164 -16.511 1.00 0.00 H new ATOM 958 N ASN B 3 -1.905 -10.149 -16.077 1.00 0.00 N ATOM 959 CA ASN B 3 -2.342 -11.007 -14.916 1.00 0.00 C ATOM 960 C ASN B 3 -1.642 -10.583 -13.608 1.00 0.00 C ATOM 961 O ASN B 3 -1.379 -11.398 -12.737 1.00 0.00 O ATOM 962 CB ASN B 3 -1.999 -12.463 -15.315 1.00 0.00 C ATOM 963 CG ASN B 3 -0.481 -12.646 -15.509 1.00 0.00 C ATOM 964 OD1 ASN B 3 0.245 -12.860 -14.558 1.00 0.00 O ATOM 965 ND2 ASN B 3 0.030 -12.577 -16.709 1.00 0.00 N ATOM 0 H ASN B 3 -0.935 -10.279 -16.364 1.00 0.00 H new ATOM 0 HA ASN B 3 -3.408 -10.900 -14.717 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -2.355 -13.147 -14.545 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -2.520 -12.722 -16.237 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.033 -12.702 -16.844 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.574 -12.398 -17.511 1.00 0.00 H new ATOM 972 N LYS B 4 -1.365 -9.306 -13.465 1.00 0.00 N ATOM 973 CA LYS B 4 -0.702 -8.789 -12.220 1.00 0.00 C ATOM 974 C LYS B 4 -1.367 -7.487 -11.751 1.00 0.00 C ATOM 975 O LYS B 4 -1.471 -6.528 -12.500 1.00 0.00 O ATOM 976 CB LYS B 4 0.765 -8.541 -12.599 1.00 0.00 C ATOM 977 CG LYS B 4 1.513 -9.875 -12.685 1.00 0.00 C ATOM 978 CD LYS B 4 3.008 -9.610 -12.898 1.00 0.00 C ATOM 979 CE LYS B 4 3.771 -10.943 -12.940 1.00 0.00 C ATOM 980 NZ LYS B 4 4.237 -11.186 -11.540 1.00 0.00 N ATOM 0 H LYS B 4 -1.572 -8.593 -14.164 1.00 0.00 H new ATOM 0 HA LYS B 4 -0.789 -9.499 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS B 4 0.820 -8.021 -13.555 1.00 0.00 H new ATOM 0 HB3 LYS B 4 1.237 -7.896 -11.858 1.00 0.00 H new ATOM 0 HG2 LYS B 4 1.361 -10.449 -11.771 1.00 0.00 H new ATOM 0 HG3 LYS B 4 1.118 -10.473 -13.506 1.00 0.00 H new ATOM 0 HD2 LYS B 4 3.161 -9.063 -13.828 1.00 0.00 H new ATOM 0 HD3 LYS B 4 3.394 -8.984 -12.093 1.00 0.00 H new ATOM 0 HE2 LYS B 4 3.127 -11.752 -13.284 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.613 -10.891 -13.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 4.863 -12.016 -11.522 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.756 -10.353 -11.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.416 -11.359 -10.926 1.00 0.00 H new ATOM 994 N PHE B 5 -1.800 -7.452 -10.510 1.00 0.00 N ATOM 995 CA PHE B 5 -2.450 -6.220 -9.948 1.00 0.00 C ATOM 996 C PHE B 5 -1.454 -5.368 -9.128 1.00 0.00 C ATOM 997 O PHE B 5 -1.866 -4.474 -8.406 1.00 0.00 O ATOM 998 CB PHE B 5 -3.562 -6.747 -9.032 1.00 0.00 C ATOM 999 CG PHE B 5 -4.893 -6.721 -9.750 1.00 0.00 C ATOM 1000 CD1 PHE B 5 -5.556 -5.503 -9.952 1.00 0.00 C ATOM 1001 CD2 PHE B 5 -5.468 -7.913 -10.207 1.00 0.00 C ATOM 1002 CE1 PHE B 5 -6.792 -5.477 -10.609 1.00 0.00 C ATOM 1003 CE2 PHE B 5 -6.703 -7.888 -10.863 1.00 0.00 C ATOM 1004 CZ PHE B 5 -7.365 -6.669 -11.065 1.00 0.00 C ATOM 0 H PHE B 5 -1.730 -8.232 -9.856 1.00 0.00 H new ATOM 0 HA PHE B 5 -2.822 -5.573 -10.743 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -3.331 -7.765 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -3.617 -6.139 -8.129 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -5.113 -4.583 -9.600 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -4.958 -8.852 -10.053 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -7.302 -4.538 -10.764 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.147 -8.808 -11.214 1.00 0.00 H new ATOM 0 HZ PHE B 5 -8.318 -6.650 -11.573 1.00 0.00 H new ATOM 1014 N ASN B 6 -0.155 -5.628 -9.221 1.00 0.00 N ATOM 1015 CA ASN B 6 0.850 -4.819 -8.432 1.00 0.00 C ATOM 1016 C ASN B 6 0.795 -3.348 -8.867 1.00 0.00 C ATOM 1017 O ASN B 6 0.834 -2.449 -8.045 1.00 0.00 O ATOM 1018 CB ASN B 6 2.255 -5.398 -8.713 1.00 0.00 C ATOM 1019 CG ASN B 6 2.273 -6.941 -8.680 1.00 0.00 C ATOM 1020 OD1 ASN B 6 1.763 -7.587 -9.575 1.00 0.00 O ATOM 1021 ND2 ASN B 6 2.854 -7.562 -7.697 1.00 0.00 N ATOM 0 H ASN B 6 0.247 -6.361 -9.806 1.00 0.00 H new ATOM 0 HA ASN B 6 0.625 -4.872 -7.367 1.00 0.00 H new ATOM 0 HB2 ASN B 6 2.598 -5.054 -9.689 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.958 -5.013 -7.974 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.879 -8.582 -7.682 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.285 -7.030 -6.941 1.00 0.00 H new ATOM 1028 N LYS B 7 0.666 -3.112 -10.158 1.00 0.00 N ATOM 1029 CA LYS B 7 0.559 -1.707 -10.688 1.00 0.00 C ATOM 1030 C LYS B 7 -0.677 -1.024 -10.107 1.00 0.00 C ATOM 1031 O LYS B 7 -0.678 0.172 -9.863 1.00 0.00 O ATOM 1032 CB LYS B 7 0.412 -1.838 -12.211 1.00 0.00 C ATOM 1033 CG LYS B 7 0.575 -0.461 -12.875 1.00 0.00 C ATOM 1034 CD LYS B 7 -0.653 -0.148 -13.744 1.00 0.00 C ATOM 1035 CE LYS B 7 -1.643 0.734 -12.958 1.00 0.00 C ATOM 1036 NZ LYS B 7 -2.835 -0.127 -12.686 1.00 0.00 N ATOM 0 H LYS B 7 0.630 -3.839 -10.872 1.00 0.00 H new ATOM 0 HA LYS B 7 1.430 -1.110 -10.417 1.00 0.00 H new ATOM 0 HB2 LYS B 7 1.161 -2.529 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -0.565 -2.256 -12.456 1.00 0.00 H new ATOM 0 HG2 LYS B 7 0.696 0.308 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS B 7 1.477 -0.448 -13.487 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -0.343 0.362 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -1.140 -1.075 -14.047 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -1.197 1.088 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -1.922 1.616 -13.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.449 0.341 -11.989 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -3.364 -0.276 -13.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -2.522 -1.045 -12.311 1.00 0.00 H new ATOM 1050 N GLU B 8 -1.726 -1.777 -9.885 1.00 0.00 N ATOM 1051 CA GLU B 8 -2.963 -1.185 -9.312 1.00 0.00 C ATOM 1052 C GLU B 8 -2.751 -0.770 -7.874 1.00 0.00 C ATOM 1053 O GLU B 8 -3.245 0.246 -7.475 1.00 0.00 O ATOM 1054 CB GLU B 8 -4.061 -2.244 -9.415 1.00 0.00 C ATOM 1055 CG GLU B 8 -5.110 -1.783 -10.426 1.00 0.00 C ATOM 1056 CD GLU B 8 -5.729 -0.441 -10.004 1.00 0.00 C ATOM 1057 OE1 GLU B 8 -6.599 -0.453 -9.151 1.00 0.00 O ATOM 1058 OE2 GLU B 8 -5.329 0.577 -10.551 1.00 0.00 O ATOM 0 H GLU B 8 -1.774 -2.777 -10.078 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.243 -0.286 -9.861 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -3.635 -3.198 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -4.523 -2.402 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.652 -1.683 -11.410 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -5.892 -2.537 -10.513 1.00 0.00 H new ATOM 1065 N LEU B 9 -1.986 -1.503 -7.103 1.00 0.00 N ATOM 1066 CA LEU B 9 -1.740 -1.054 -5.687 1.00 0.00 C ATOM 1067 C LEU B 9 -0.839 0.183 -5.695 1.00 0.00 C ATOM 1068 O LEU B 9 -0.824 0.946 -4.747 1.00 0.00 O ATOM 1069 CB LEU B 9 -1.061 -2.171 -4.900 1.00 0.00 C ATOM 1070 CG LEU B 9 -1.662 -3.549 -5.191 1.00 0.00 C ATOM 1071 CD1 LEU B 9 -0.620 -4.621 -4.816 1.00 0.00 C ATOM 1072 CD2 LEU B 9 -2.950 -3.693 -4.350 1.00 0.00 C ATOM 0 H LEU B 9 -1.529 -2.372 -7.378 1.00 0.00 H new ATOM 0 HA LEU B 9 -2.693 -0.811 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU B 9 0.002 -2.185 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -1.144 -1.961 -3.834 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.915 -3.669 -6.244 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -1.029 -5.611 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU B 9 0.283 -4.474 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -0.376 -4.536 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.400 -4.668 -4.538 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -2.705 -3.604 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -3.655 -2.909 -4.626 1.00 0.00 H new ATOM 1084 N SER B 10 -0.117 0.409 -6.774 1.00 0.00 N ATOM 1085 CA SER B 10 0.731 1.621 -6.868 1.00 0.00 C ATOM 1086 C SER B 10 -0.215 2.846 -6.897 1.00 0.00 C ATOM 1087 O SER B 10 -0.078 3.771 -6.118 1.00 0.00 O ATOM 1088 CB SER B 10 1.507 1.441 -8.195 1.00 0.00 C ATOM 1089 OG SER B 10 1.386 2.594 -9.032 1.00 0.00 O ATOM 0 H SER B 10 -0.087 -0.203 -7.589 1.00 0.00 H new ATOM 0 HA SER B 10 1.425 1.766 -6.040 1.00 0.00 H new ATOM 0 HB2 SER B 10 2.559 1.255 -7.980 1.00 0.00 H new ATOM 0 HB3 SER B 10 1.129 0.565 -8.723 1.00 0.00 H new ATOM 0 HG SER B 10 1.749 2.393 -9.920 1.00 0.00 H new ATOM 1095 N VAL B 11 -1.191 2.808 -7.794 1.00 0.00 N ATOM 1096 CA VAL B 11 -2.186 3.930 -7.931 1.00 0.00 C ATOM 1097 C VAL B 11 -3.312 3.771 -6.893 1.00 0.00 C ATOM 1098 O VAL B 11 -3.546 4.652 -6.086 1.00 0.00 O ATOM 1099 CB VAL B 11 -2.743 3.802 -9.370 1.00 0.00 C ATOM 1100 CG1 VAL B 11 -3.581 5.034 -9.716 1.00 0.00 C ATOM 1101 CG2 VAL B 11 -1.588 3.669 -10.380 1.00 0.00 C ATOM 0 H VAL B 11 -1.337 2.035 -8.443 1.00 0.00 H new ATOM 0 HA VAL B 11 -1.734 4.907 -7.759 1.00 0.00 H new ATOM 0 HB VAL B 11 -3.368 2.910 -9.423 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -3.969 4.937 -10.730 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -4.412 5.117 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -2.960 5.927 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -1.994 3.580 -11.388 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -0.951 4.552 -10.322 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -1.000 2.781 -10.146 1.00 0.00 H new ATOM 1111 N ALA B 12 -3.993 2.639 -6.911 1.00 0.00 N ATOM 1112 CA ALA B 12 -5.104 2.365 -5.936 1.00 0.00 C ATOM 1113 C ALA B 12 -4.594 2.404 -4.503 1.00 0.00 C ATOM 1114 O ALA B 12 -5.167 3.049 -3.655 1.00 0.00 O ATOM 1115 CB ALA B 12 -5.619 0.948 -6.268 1.00 0.00 C ATOM 0 H ALA B 12 -3.820 1.883 -7.573 1.00 0.00 H new ATOM 0 HA ALA B 12 -5.889 3.117 -6.019 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -6.432 0.688 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -5.982 0.924 -7.296 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -4.807 0.230 -6.153 1.00 0.00 H new ATOM 1121 N GLY B 13 -3.514 1.721 -4.249 1.00 0.00 N ATOM 1122 CA GLY B 13 -2.930 1.667 -2.887 1.00 0.00 C ATOM 1123 C GLY B 13 -2.487 3.037 -2.418 1.00 0.00 C ATOM 1124 O GLY B 13 -2.904 3.485 -1.367 1.00 0.00 O ATOM 0 H GLY B 13 -3.001 1.185 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY B 13 -3.665 1.263 -2.191 1.00 0.00 H new ATOM 0 HA3 GLY B 13 -2.078 0.987 -2.882 1.00 0.00 H new ATOM 1128 N ARG B 14 -1.607 3.676 -3.157 1.00 0.00 N ATOM 1129 CA ARG B 14 -1.091 5.006 -2.696 1.00 0.00 C ATOM 1130 C ARG B 14 -2.213 6.060 -2.530 1.00 0.00 C ATOM 1131 O ARG B 14 -2.131 6.896 -1.652 1.00 0.00 O ATOM 1132 CB ARG B 14 -0.027 5.462 -3.696 1.00 0.00 C ATOM 1133 CG ARG B 14 0.881 6.508 -3.023 1.00 0.00 C ATOM 1134 CD ARG B 14 1.443 5.945 -1.700 1.00 0.00 C ATOM 1135 NE ARG B 14 2.758 6.615 -1.466 1.00 0.00 N ATOM 1136 CZ ARG B 14 2.823 7.895 -1.192 1.00 0.00 C ATOM 1137 NH1 ARG B 14 3.043 8.757 -2.156 1.00 0.00 N ATOM 1138 NH2 ARG B 14 2.678 8.307 0.043 1.00 0.00 N ATOM 0 H ARG B 14 -1.230 3.341 -4.044 1.00 0.00 H new ATOM 0 HA ARG B 14 -0.657 4.899 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG B 14 0.565 4.610 -4.030 1.00 0.00 H new ATOM 0 HB3 ARG B 14 -0.500 5.888 -4.581 1.00 0.00 H new ATOM 0 HG2 ARG B 14 1.700 6.775 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG B 14 0.317 7.421 -2.829 1.00 0.00 H new ATOM 0 HD2 ARG B 14 0.758 6.141 -0.875 1.00 0.00 H new ATOM 0 HD3 ARG B 14 1.566 4.864 -1.762 1.00 0.00 H new ATOM 0 HE ARG B 14 3.617 6.068 -1.520 1.00 0.00 H new ATOM 0 HH11 ARG B 14 3.163 8.430 -3.115 1.00 0.00 H new ATOM 0 HH12 ARG B 14 3.094 9.754 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG B 14 2.515 7.632 0.790 1.00 0.00 H new ATOM 0 HH22 ARG B 14 2.728 9.303 0.258 1.00 0.00 H new ATOM 1152 N GLU B 15 -3.258 6.029 -3.330 1.00 0.00 N ATOM 1153 CA GLU B 15 -4.368 7.037 -3.144 1.00 0.00 C ATOM 1154 C GLU B 15 -5.216 6.669 -1.901 1.00 0.00 C ATOM 1155 O GLU B 15 -5.535 7.526 -1.102 1.00 0.00 O ATOM 1156 CB GLU B 15 -5.195 6.992 -4.428 1.00 0.00 C ATOM 1157 CG GLU B 15 -4.398 7.641 -5.570 1.00 0.00 C ATOM 1158 CD GLU B 15 -5.255 7.702 -6.836 1.00 0.00 C ATOM 1159 OE1 GLU B 15 -5.977 8.671 -6.994 1.00 0.00 O ATOM 1160 OE2 GLU B 15 -5.165 6.784 -7.630 1.00 0.00 O ATOM 0 H GLU B 15 -3.393 5.364 -4.091 1.00 0.00 H new ATOM 0 HA GLU B 15 -3.987 8.043 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -5.439 5.960 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -6.139 7.517 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -4.087 8.645 -5.283 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -3.490 7.069 -5.762 1.00 0.00 H new ATOM 1167 N ILE B 16 -5.531 5.392 -1.726 1.00 0.00 N ATOM 1168 CA ILE B 16 -6.312 4.900 -0.515 1.00 0.00 C ATOM 1169 C ILE B 16 -5.536 5.195 0.784 1.00 0.00 C ATOM 1170 O ILE B 16 -6.109 5.478 1.823 1.00 0.00 O ATOM 1171 CB ILE B 16 -6.414 3.368 -0.715 1.00 0.00 C ATOM 1172 CG1 ILE B 16 -7.373 3.063 -1.875 1.00 0.00 C ATOM 1173 CG2 ILE B 16 -6.930 2.675 0.560 1.00 0.00 C ATOM 1174 CD1 ILE B 16 -7.203 1.620 -2.353 1.00 0.00 C ATOM 0 H ILE B 16 -5.276 4.654 -2.383 1.00 0.00 H new ATOM 0 HA ILE B 16 -7.284 5.386 -0.431 1.00 0.00 H new ATOM 0 HB ILE B 16 -5.417 2.988 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE B 16 -8.402 3.226 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -7.183 3.749 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -6.992 1.600 0.390 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -6.245 2.874 1.385 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -7.919 3.060 0.809 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -7.892 1.425 -3.175 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -6.179 1.468 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -7.417 0.937 -1.531 1.00 0.00 H new ATOM 1186 N VAL B 17 -4.239 5.089 0.712 1.00 0.00 N ATOM 1187 CA VAL B 17 -3.357 5.314 1.895 1.00 0.00 C ATOM 1188 C VAL B 17 -3.100 6.818 2.157 1.00 0.00 C ATOM 1189 O VAL B 17 -2.728 7.180 3.260 1.00 0.00 O ATOM 1190 CB VAL B 17 -2.079 4.541 1.516 1.00 0.00 C ATOM 1191 CG1 VAL B 17 -1.237 5.296 0.516 1.00 0.00 C ATOM 1192 CG2 VAL B 17 -1.248 4.212 2.727 1.00 0.00 C ATOM 0 H VAL B 17 -3.738 4.849 -0.143 1.00 0.00 H new ATOM 0 HA VAL B 17 -3.793 4.970 2.833 1.00 0.00 H new ATOM 0 HB VAL B 17 -2.412 3.611 1.055 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.347 4.714 0.277 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.815 5.464 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -0.941 6.255 0.940 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -0.356 3.667 2.419 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -0.955 5.134 3.229 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -1.831 3.596 3.412 1.00 0.00 H new ATOM 1202 N THR B 18 -3.257 7.688 1.161 1.00 0.00 N ATOM 1203 CA THR B 18 -2.967 9.151 1.393 1.00 0.00 C ATOM 1204 C THR B 18 -4.159 10.091 1.129 1.00 0.00 C ATOM 1205 O THR B 18 -3.947 11.296 1.106 1.00 0.00 O ATOM 1206 CB THR B 18 -1.806 9.528 0.444 1.00 0.00 C ATOM 1207 OG1 THR B 18 -2.234 9.473 -0.917 1.00 0.00 O ATOM 1208 CG2 THR B 18 -0.621 8.590 0.666 1.00 0.00 C ATOM 0 H THR B 18 -3.567 7.448 0.219 1.00 0.00 H new ATOM 0 HA THR B 18 -2.726 9.281 2.448 1.00 0.00 H new ATOM 0 HB THR B 18 -1.493 10.548 0.665 1.00 0.00 H new ATOM 0 HG1 THR B 18 -2.196 8.547 -1.235 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.191 8.864 -0.007 1.00 0.00 H new ATOM 0 HG22 THR B 18 -0.280 8.672 1.698 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.927 7.563 0.466 1.00 0.00 H new ATOM 1216 N LEU B 19 -5.397 9.624 0.940 1.00 0.00 N ATOM 1217 CA LEU B 19 -6.494 10.644 0.704 1.00 0.00 C ATOM 1218 C LEU B 19 -6.629 11.564 1.951 1.00 0.00 C ATOM 1219 O LEU B 19 -6.338 11.150 3.063 1.00 0.00 O ATOM 1220 CB LEU B 19 -7.787 9.915 0.312 1.00 0.00 C ATOM 1221 CG LEU B 19 -8.187 8.840 1.311 1.00 0.00 C ATOM 1222 CD1 LEU B 19 -9.665 9.013 1.600 1.00 0.00 C ATOM 1223 CD2 LEU B 19 -7.959 7.459 0.695 1.00 0.00 C ATOM 0 H LEU B 19 -5.678 8.644 0.939 1.00 0.00 H new ATOM 0 HA LEU B 19 -6.250 11.304 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU B 19 -8.595 10.641 0.224 1.00 0.00 H new ATOM 0 HB3 LEU B 19 -7.658 9.461 -0.671 1.00 0.00 H new ATOM 0 HG LEU B 19 -7.596 8.926 2.223 1.00 0.00 H new ATOM 0 HD11 LEU B 19 -9.987 8.256 2.315 1.00 0.00 H new ATOM 0 HD12 LEU B 19 -9.841 10.005 2.017 1.00 0.00 H new ATOM 0 HD13 LEU B 19 -10.232 8.903 0.675 1.00 0.00 H new ATOM 0 HD21 LEU B 19 -8.246 6.689 1.411 1.00 0.00 H new ATOM 0 HD22 LEU B 19 -8.563 7.359 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU B 19 -6.905 7.343 0.441 1.00 0.00 H new ATOM 1235 N PRO B 20 -6.938 12.825 1.685 1.00 0.00 N ATOM 1236 CA PRO B 20 -6.953 13.891 2.745 1.00 0.00 C ATOM 1237 C PRO B 20 -8.015 13.736 3.848 1.00 0.00 C ATOM 1238 O PRO B 20 -7.769 14.137 4.974 1.00 0.00 O ATOM 1239 CB PRO B 20 -7.204 15.174 1.950 1.00 0.00 C ATOM 1240 CG PRO B 20 -7.892 14.728 0.702 1.00 0.00 C ATOM 1241 CD PRO B 20 -7.340 13.368 0.376 1.00 0.00 C ATOM 0 HA PRO B 20 -6.019 13.859 3.307 1.00 0.00 H new ATOM 0 HB2 PRO B 20 -7.823 15.873 2.513 1.00 0.00 H new ATOM 0 HB3 PRO B 20 -6.269 15.687 1.723 1.00 0.00 H new ATOM 0 HG2 PRO B 20 -8.971 14.684 0.848 1.00 0.00 H new ATOM 0 HG3 PRO B 20 -7.709 15.427 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO B 20 -8.088 12.738 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO B 20 -6.493 13.434 -0.306 1.00 0.00 H new ATOM 1249 N ASN B 21 -9.182 13.216 3.555 1.00 0.00 N ATOM 1250 CA ASN B 21 -10.237 13.116 4.628 1.00 0.00 C ATOM 1251 C ASN B 21 -10.324 11.722 5.274 1.00 0.00 C ATOM 1252 O ASN B 21 -11.257 11.458 6.013 1.00 0.00 O ATOM 1253 CB ASN B 21 -11.558 13.465 3.936 1.00 0.00 C ATOM 1254 CG ASN B 21 -11.542 14.901 3.389 1.00 0.00 C ATOM 1255 OD1 ASN B 21 -10.751 15.729 3.801 1.00 0.00 O ATOM 1256 ND2 ASN B 21 -12.405 15.232 2.477 1.00 0.00 N ATOM 0 H ASN B 21 -9.453 12.860 2.638 1.00 0.00 H new ATOM 0 HA ASN B 21 -9.995 13.791 5.449 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -11.739 12.765 3.120 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -12.381 13.352 4.642 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -12.418 16.183 2.109 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -13.070 14.541 2.129 1.00 0.00 H new ATOM 1263 N LEU B 22 -9.378 10.832 5.026 1.00 0.00 N ATOM 1264 CA LEU B 22 -9.454 9.476 5.663 1.00 0.00 C ATOM 1265 C LEU B 22 -8.623 9.418 6.938 1.00 0.00 C ATOM 1266 O LEU B 22 -7.660 10.149 7.114 1.00 0.00 O ATOM 1267 CB LEU B 22 -8.882 8.483 4.662 1.00 0.00 C ATOM 1268 CG LEU B 22 -9.399 7.065 4.949 1.00 0.00 C ATOM 1269 CD1 LEU B 22 -10.819 6.901 4.403 1.00 0.00 C ATOM 1270 CD2 LEU B 22 -8.472 6.040 4.285 1.00 0.00 C ATOM 0 H LEU B 22 -8.572 10.987 4.420 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.488 9.249 5.924 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -9.159 8.779 3.650 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -7.793 8.496 4.711 1.00 0.00 H new ATOM 0 HG LEU B 22 -9.413 6.902 6.027 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.175 5.892 4.612 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.479 7.625 4.881 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -10.816 7.069 3.326 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -8.838 5.033 4.488 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -8.454 6.209 3.208 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -7.464 6.147 4.686 1.00 0.00 H new ATOM 1282 N ASN B 23 -8.979 8.506 7.792 1.00 0.00 N ATOM 1283 CA ASN B 23 -8.215 8.296 9.071 1.00 0.00 C ATOM 1284 C ASN B 23 -7.309 7.053 8.935 1.00 0.00 C ATOM 1285 O ASN B 23 -7.517 6.218 8.069 1.00 0.00 O ATOM 1286 CB ASN B 23 -9.264 8.155 10.199 1.00 0.00 C ATOM 1287 CG ASN B 23 -10.178 6.929 10.006 1.00 0.00 C ATOM 1288 OD1 ASN B 23 -10.166 6.291 8.979 1.00 0.00 O ATOM 1289 ND2 ASN B 23 -10.989 6.579 10.967 1.00 0.00 N ATOM 0 H ASN B 23 -9.777 7.883 7.666 1.00 0.00 H new ATOM 0 HA ASN B 23 -7.554 9.131 9.302 1.00 0.00 H new ATOM 0 HB2 ASN B 23 -8.753 8.075 11.158 1.00 0.00 H new ATOM 0 HB3 ASN B 23 -9.875 9.057 10.237 1.00 0.00 H new ATOM 0 HD21 ASN B 23 -11.604 5.774 10.847 1.00 0.00 H new ATOM 0 HD22 ASN B 23 -11.007 7.110 11.838 1.00 0.00 H new ATOM 1296 N ASP B 24 -6.281 6.956 9.758 1.00 0.00 N ATOM 1297 CA ASP B 24 -5.303 5.807 9.663 1.00 0.00 C ATOM 1298 C ASP B 24 -5.924 4.380 9.783 1.00 0.00 C ATOM 1299 O ASP B 24 -5.425 3.489 9.120 1.00 0.00 O ATOM 1300 CB ASP B 24 -4.212 6.056 10.735 1.00 0.00 C ATOM 1301 CG ASP B 24 -4.775 5.980 12.161 1.00 0.00 C ATOM 1302 OD1 ASP B 24 -5.257 6.993 12.643 1.00 0.00 O ATOM 1303 OD2 ASP B 24 -4.703 4.913 12.749 1.00 0.00 O ATOM 0 H ASP B 24 -6.075 7.628 10.497 1.00 0.00 H new ATOM 0 HA ASP B 24 -4.890 5.799 8.654 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -3.417 5.319 10.620 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -3.764 7.037 10.574 1.00 0.00 H new ATOM 1308 N PRO B 25 -6.958 4.163 10.605 1.00 0.00 N ATOM 1309 CA PRO B 25 -7.530 2.784 10.722 1.00 0.00 C ATOM 1310 C PRO B 25 -8.307 2.355 9.457 1.00 0.00 C ATOM 1311 O PRO B 25 -8.280 1.184 9.104 1.00 0.00 O ATOM 1312 CB PRO B 25 -8.463 2.876 11.927 1.00 0.00 C ATOM 1313 CG PRO B 25 -8.841 4.316 12.017 1.00 0.00 C ATOM 1314 CD PRO B 25 -7.683 5.112 11.476 1.00 0.00 C ATOM 0 HA PRO B 25 -6.749 2.033 10.837 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.342 2.245 11.794 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -7.965 2.541 12.837 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -9.746 4.513 11.442 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -9.052 4.595 13.049 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -8.026 5.982 10.916 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -7.045 5.481 12.279 1.00 0.00 H new ATOM 1322 N GLN B 26 -8.992 3.266 8.763 1.00 0.00 N ATOM 1323 CA GLN B 26 -9.742 2.840 7.534 1.00 0.00 C ATOM 1324 C GLN B 26 -8.755 2.501 6.421 1.00 0.00 C ATOM 1325 O GLN B 26 -8.847 1.432 5.858 1.00 0.00 O ATOM 1326 CB GLN B 26 -10.690 3.987 7.162 1.00 0.00 C ATOM 1327 CG GLN B 26 -11.827 4.030 8.201 1.00 0.00 C ATOM 1328 CD GLN B 26 -12.955 4.953 7.736 1.00 0.00 C ATOM 1329 OE1 GLN B 26 -14.101 4.553 7.706 1.00 0.00 O ATOM 1330 NE2 GLN B 26 -12.692 6.178 7.374 1.00 0.00 N ATOM 0 H GLN B 26 -9.056 4.257 8.996 1.00 0.00 H new ATOM 0 HA GLN B 26 -10.330 1.939 7.705 1.00 0.00 H new ATOM 0 HB2 GLN B 26 -10.152 4.935 7.148 1.00 0.00 H new ATOM 0 HB3 GLN B 26 -11.095 3.836 6.161 1.00 0.00 H new ATOM 0 HG2 GLN B 26 -12.217 3.025 8.362 1.00 0.00 H new ATOM 0 HG3 GLN B 26 -11.438 4.378 9.158 1.00 0.00 H new ATOM 0 HE21 GLN B 26 -11.732 6.521 7.396 1.00 0.00 H new ATOM 0 HE22 GLN B 26 -13.446 6.793 7.068 1.00 0.00 H new ATOM 1339 N LYS B 27 -7.774 3.358 6.146 1.00 0.00 N ATOM 1340 CA LYS B 27 -6.739 3.011 5.097 1.00 0.00 C ATOM 1341 C LYS B 27 -6.030 1.714 5.474 1.00 0.00 C ATOM 1342 O LYS B 27 -5.655 0.953 4.619 1.00 0.00 O ATOM 1343 CB LYS B 27 -5.695 4.136 5.003 1.00 0.00 C ATOM 1344 CG LYS B 27 -5.265 4.708 6.364 1.00 0.00 C ATOM 1345 CD LYS B 27 -4.532 6.033 6.133 1.00 0.00 C ATOM 1346 CE LYS B 27 -5.538 7.162 5.856 1.00 0.00 C ATOM 1347 NZ LYS B 27 -4.745 8.272 5.247 1.00 0.00 N ATOM 0 H LYS B 27 -7.650 4.265 6.596 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.241 2.890 4.137 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -4.814 3.757 4.485 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.100 4.943 4.393 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -6.136 4.865 7.000 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -4.615 4.002 6.882 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.930 6.280 7.008 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.846 5.934 5.292 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -6.325 6.827 5.181 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -6.024 7.487 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -5.390 8.958 4.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -4.187 8.746 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.105 7.885 4.524 1.00 0.00 H new ATOM 1361 N LYS B 28 -5.850 1.466 6.752 1.00 0.00 N ATOM 1362 CA LYS B 28 -5.181 0.203 7.199 1.00 0.00 C ATOM 1363 C LYS B 28 -5.975 -1.009 6.689 1.00 0.00 C ATOM 1364 O LYS B 28 -5.463 -1.803 5.928 1.00 0.00 O ATOM 1365 CB LYS B 28 -5.198 0.238 8.739 1.00 0.00 C ATOM 1366 CG LYS B 28 -3.772 0.217 9.252 1.00 0.00 C ATOM 1367 CD LYS B 28 -3.258 -1.216 9.288 1.00 0.00 C ATOM 1368 CE LYS B 28 -1.723 -1.213 9.242 1.00 0.00 C ATOM 1369 NZ LYS B 28 -1.293 -2.462 9.941 1.00 0.00 N ATOM 0 H LYS B 28 -6.140 2.088 7.507 1.00 0.00 H new ATOM 0 HA LYS B 28 -4.164 0.123 6.814 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.710 1.134 9.089 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -5.750 -0.617 9.128 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -3.136 0.825 8.609 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -3.728 0.654 10.250 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -3.604 -1.715 10.193 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -3.656 -1.777 8.443 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -1.363 -1.196 8.213 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -1.319 -0.329 9.736 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -0.419 -2.278 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -2.041 -2.768 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -1.119 -3.210 9.240 1.00 0.00 H new ATOM 1383 N ALA B 29 -7.235 -1.126 7.079 1.00 0.00 N ATOM 1384 CA ALA B 29 -8.087 -2.265 6.588 1.00 0.00 C ATOM 1385 C ALA B 29 -8.268 -2.164 5.060 1.00 0.00 C ATOM 1386 O ALA B 29 -8.366 -3.165 4.376 1.00 0.00 O ATOM 1387 CB ALA B 29 -9.436 -2.109 7.300 1.00 0.00 C ATOM 0 H ALA B 29 -7.705 -0.481 7.715 1.00 0.00 H new ATOM 0 HA ALA B 29 -7.635 -3.234 6.798 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -10.107 -2.909 6.987 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -9.286 -2.162 8.378 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -9.875 -1.145 7.041 1.00 0.00 H new ATOM 1393 N PHE B 30 -8.299 -0.949 4.534 1.00 0.00 N ATOM 1394 CA PHE B 30 -8.456 -0.733 3.055 1.00 0.00 C ATOM 1395 C PHE B 30 -7.247 -1.254 2.297 1.00 0.00 C ATOM 1396 O PHE B 30 -7.380 -2.049 1.391 1.00 0.00 O ATOM 1397 CB PHE B 30 -8.539 0.786 2.868 1.00 0.00 C ATOM 1398 CG PHE B 30 -9.881 1.158 2.340 1.00 0.00 C ATOM 1399 CD1 PHE B 30 -10.113 1.097 0.972 1.00 0.00 C ATOM 1400 CD2 PHE B 30 -10.891 1.563 3.217 1.00 0.00 C ATOM 1401 CE1 PHE B 30 -11.369 1.443 0.470 1.00 0.00 C ATOM 1402 CE2 PHE B 30 -12.143 1.909 2.720 1.00 0.00 C ATOM 1403 CZ PHE B 30 -12.385 1.851 1.348 1.00 0.00 C ATOM 0 H PHE B 30 -8.221 -0.090 5.079 1.00 0.00 H new ATOM 0 HA PHE B 30 -9.335 -1.257 2.678 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -8.360 1.289 3.818 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -7.762 1.120 2.180 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -9.327 0.784 0.301 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -10.700 1.607 4.279 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -11.558 1.397 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -12.926 2.222 3.395 1.00 0.00 H new ATOM 0 HZ PHE B 30 -13.356 2.121 0.960 1.00 0.00 H new ATOM 1413 N ILE B 31 -6.071 -0.805 2.665 1.00 0.00 N ATOM 1414 CA ILE B 31 -4.840 -1.275 1.981 1.00 0.00 C ATOM 1415 C ILE B 31 -4.710 -2.794 2.199 1.00 0.00 C ATOM 1416 O ILE B 31 -4.378 -3.523 1.290 1.00 0.00 O ATOM 1417 CB ILE B 31 -3.656 -0.538 2.651 1.00 0.00 C ATOM 1418 CG1 ILE B 31 -3.520 0.926 2.137 1.00 0.00 C ATOM 1419 CG2 ILE B 31 -2.340 -1.306 2.396 1.00 0.00 C ATOM 1420 CD1 ILE B 31 -2.056 1.328 2.107 1.00 0.00 C ATOM 0 H ILE B 31 -5.917 -0.130 3.414 1.00 0.00 H new ATOM 0 HA ILE B 31 -4.861 -1.075 0.910 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.857 -0.499 3.722 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -3.950 1.012 1.139 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -4.079 1.602 2.785 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -1.513 -0.779 2.872 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -2.418 -2.310 2.813 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -2.159 -1.372 1.323 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -1.967 2.353 1.747 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.639 1.259 3.112 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.509 0.661 1.441 1.00 0.00 H new ATOM 1432 N PHE B 32 -4.962 -3.260 3.417 1.00 0.00 N ATOM 1433 CA PHE B 32 -4.851 -4.726 3.712 1.00 0.00 C ATOM 1434 C PHE B 32 -5.869 -5.518 2.857 1.00 0.00 C ATOM 1435 O PHE B 32 -5.547 -6.590 2.382 1.00 0.00 O ATOM 1436 CB PHE B 32 -5.062 -4.885 5.243 1.00 0.00 C ATOM 1437 CG PHE B 32 -3.719 -4.696 5.967 1.00 0.00 C ATOM 1438 CD1 PHE B 32 -3.009 -3.468 5.870 1.00 0.00 C ATOM 1439 CD2 PHE B 32 -3.152 -5.757 6.735 1.00 0.00 C ATOM 1440 CE1 PHE B 32 -1.784 -3.328 6.501 1.00 0.00 C ATOM 1441 CE2 PHE B 32 -1.925 -5.578 7.355 1.00 0.00 C ATOM 1442 CZ PHE B 32 -1.248 -4.378 7.233 1.00 0.00 C ATOM 0 H PHE B 32 -5.238 -2.682 4.211 1.00 0.00 H new ATOM 0 HA PHE B 32 -3.876 -5.134 3.447 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -5.786 -4.152 5.599 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -5.471 -5.871 5.464 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -3.424 -2.646 5.305 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -3.677 -6.696 6.833 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -1.243 -2.397 6.423 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.495 -6.380 7.937 1.00 0.00 H new ATOM 0 HZ PHE B 32 -0.289 -4.257 7.714 1.00 0.00 H new ATOM 1452 N SER B 33 -7.062 -4.977 2.585 1.00 0.00 N ATOM 1453 CA SER B 33 -8.020 -5.709 1.671 1.00 0.00 C ATOM 1454 C SER B 33 -7.564 -5.507 0.201 1.00 0.00 C ATOM 1455 O SER B 33 -7.689 -6.395 -0.618 1.00 0.00 O ATOM 1456 CB SER B 33 -9.418 -5.120 1.927 1.00 0.00 C ATOM 1457 OG SER B 33 -9.436 -3.737 1.612 1.00 0.00 O ATOM 0 H SER B 33 -7.398 -4.085 2.949 1.00 0.00 H new ATOM 0 HA SER B 33 -8.040 -6.782 1.861 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.158 -5.647 1.324 1.00 0.00 H new ATOM 0 HB3 SER B 33 -9.696 -5.266 2.971 1.00 0.00 H new ATOM 0 HG SER B 33 -8.517 -3.401 1.560 1.00 0.00 H new ATOM 1463 N LEU B 34 -6.982 -4.351 -0.101 1.00 0.00 N ATOM 1464 CA LEU B 34 -6.432 -4.050 -1.477 1.00 0.00 C ATOM 1465 C LEU B 34 -5.239 -4.984 -1.762 1.00 0.00 C ATOM 1466 O LEU B 34 -5.074 -5.463 -2.869 1.00 0.00 O ATOM 1467 CB LEU B 34 -6.035 -2.553 -1.377 1.00 0.00 C ATOM 1468 CG LEU B 34 -4.998 -2.107 -2.407 1.00 0.00 C ATOM 1469 CD1 LEU B 34 -5.696 -1.708 -3.721 1.00 0.00 C ATOM 1470 CD2 LEU B 34 -4.254 -0.887 -1.845 1.00 0.00 C ATOM 0 H LEU B 34 -6.865 -3.589 0.567 1.00 0.00 H new ATOM 0 HA LEU B 34 -7.126 -4.217 -2.300 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.931 -1.943 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -5.645 -2.359 -0.378 1.00 0.00 H new ATOM 0 HG LEU B 34 -4.304 -2.923 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -4.949 -1.392 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.247 -2.562 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -6.387 -0.887 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -3.508 -0.552 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -4.965 -0.082 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -3.761 -1.160 -0.912 1.00 0.00 H new ATOM 1482 N TRP B 35 -4.428 -5.257 -0.756 1.00 0.00 N ATOM 1483 CA TRP B 35 -3.259 -6.175 -0.923 1.00 0.00 C ATOM 1484 C TRP B 35 -3.717 -7.639 -1.090 1.00 0.00 C ATOM 1485 O TRP B 35 -3.244 -8.343 -1.966 1.00 0.00 O ATOM 1486 CB TRP B 35 -2.452 -6.049 0.369 1.00 0.00 C ATOM 1487 CG TRP B 35 -1.213 -6.858 0.205 1.00 0.00 C ATOM 1488 CD1 TRP B 35 -0.934 -8.011 0.847 1.00 0.00 C ATOM 1489 CD2 TRP B 35 -0.109 -6.611 -0.691 1.00 0.00 C ATOM 1490 NE1 TRP B 35 0.276 -8.480 0.404 1.00 0.00 N ATOM 1491 CE2 TRP B 35 0.833 -7.642 -0.535 1.00 0.00 C ATOM 1492 CE3 TRP B 35 0.164 -5.591 -1.607 1.00 0.00 C ATOM 1493 CZ2 TRP B 35 2.008 -7.656 -1.267 1.00 0.00 C ATOM 1494 CZ3 TRP B 35 1.345 -5.602 -2.343 1.00 0.00 C ATOM 1495 CH2 TRP B 35 2.263 -6.626 -2.173 1.00 0.00 C ATOM 0 H TRP B 35 -4.534 -4.874 0.183 1.00 0.00 H new ATOM 0 HA TRP B 35 -2.684 -5.911 -1.810 1.00 0.00 H new ATOM 0 HB2 TRP B 35 -2.205 -5.006 0.566 1.00 0.00 H new ATOM 0 HB3 TRP B 35 -3.033 -6.406 1.220 1.00 0.00 H new ATOM 0 HD1 TRP B 35 -1.560 -8.486 1.588 1.00 0.00 H new ATOM 0 HE1 TRP B 35 0.710 -9.344 0.730 1.00 0.00 H new ATOM 0 HE3 TRP B 35 -0.546 -4.789 -1.744 1.00 0.00 H new ATOM 0 HZ2 TRP B 35 2.721 -8.457 -1.138 1.00 0.00 H new ATOM 0 HZ3 TRP B 35 1.547 -4.810 -3.049 1.00 0.00 H new ATOM 0 HH2 TRP B 35 3.180 -6.627 -2.744 1.00 0.00 H new ATOM 1506 N ASP B 36 -4.614 -8.092 -0.231 1.00 0.00 N ATOM 1507 CA ASP B 36 -5.105 -9.507 -0.287 1.00 0.00 C ATOM 1508 C ASP B 36 -5.991 -9.720 -1.507 1.00 0.00 C ATOM 1509 O ASP B 36 -5.916 -10.751 -2.156 1.00 0.00 O ATOM 1510 CB ASP B 36 -5.921 -9.714 1.001 1.00 0.00 C ATOM 1511 CG ASP B 36 -5.761 -11.157 1.483 1.00 0.00 C ATOM 1512 OD1 ASP B 36 -4.742 -11.445 2.085 1.00 0.00 O ATOM 1513 OD2 ASP B 36 -6.658 -11.947 1.245 1.00 0.00 O ATOM 0 H ASP B 36 -5.028 -7.530 0.513 1.00 0.00 H new ATOM 0 HA ASP B 36 -4.278 -10.213 -0.364 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -5.583 -9.022 1.773 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -6.973 -9.496 0.816 1.00 0.00 H new ATOM 1518 N ASP B 37 -6.836 -8.757 -1.813 1.00 0.00 N ATOM 1519 CA ASP B 37 -7.739 -8.900 -2.977 1.00 0.00 C ATOM 1520 C ASP B 37 -7.678 -7.651 -3.878 1.00 0.00 C ATOM 1521 O ASP B 37 -8.628 -6.884 -3.933 1.00 0.00 O ATOM 1522 CB ASP B 37 -9.142 -9.099 -2.374 1.00 0.00 C ATOM 1523 CG ASP B 37 -9.229 -10.471 -1.689 1.00 0.00 C ATOM 1524 OD1 ASP B 37 -9.481 -11.443 -2.384 1.00 0.00 O ATOM 1525 OD2 ASP B 37 -9.042 -10.523 -0.484 1.00 0.00 O ATOM 0 H ASP B 37 -6.930 -7.882 -1.298 1.00 0.00 H new ATOM 0 HA ASP B 37 -7.458 -9.737 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -9.352 -8.309 -1.653 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -9.897 -9.025 -3.157 1.00 0.00 H new ATOM 1530 N PRO B 38 -6.570 -7.503 -4.600 1.00 0.00 N ATOM 1531 CA PRO B 38 -6.426 -6.362 -5.547 1.00 0.00 C ATOM 1532 C PRO B 38 -7.401 -6.480 -6.742 1.00 0.00 C ATOM 1533 O PRO B 38 -7.473 -5.576 -7.550 1.00 0.00 O ATOM 1534 CB PRO B 38 -4.987 -6.444 -6.011 1.00 0.00 C ATOM 1535 CG PRO B 38 -4.611 -7.875 -5.820 1.00 0.00 C ATOM 1536 CD PRO B 38 -5.358 -8.342 -4.602 1.00 0.00 C ATOM 0 HA PRO B 38 -6.664 -5.408 -5.075 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -4.889 -6.144 -7.054 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -4.344 -5.784 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -4.880 -8.469 -6.694 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -3.535 -7.980 -5.682 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -5.604 -9.402 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -4.772 -8.203 -3.694 1.00 0.00 H new ATOM 1544 N SER B 39 -8.190 -7.547 -6.839 1.00 0.00 N ATOM 1545 CA SER B 39 -9.200 -7.640 -7.949 1.00 0.00 C ATOM 1546 C SER B 39 -10.155 -6.438 -7.805 1.00 0.00 C ATOM 1547 O SER B 39 -10.554 -5.822 -8.777 1.00 0.00 O ATOM 1548 CB SER B 39 -9.953 -8.954 -7.715 1.00 0.00 C ATOM 1549 OG SER B 39 -10.305 -9.526 -8.969 1.00 0.00 O ATOM 0 H SER B 39 -8.172 -8.343 -6.202 1.00 0.00 H new ATOM 0 HA SER B 39 -8.756 -7.624 -8.944 1.00 0.00 H new ATOM 0 HB2 SER B 39 -9.331 -9.647 -7.149 1.00 0.00 H new ATOM 0 HB3 SER B 39 -10.849 -8.772 -7.121 1.00 0.00 H new ATOM 0 HG SER B 39 -10.785 -10.367 -8.821 1.00 0.00 H new ATOM 1555 N GLN B 40 -10.456 -6.080 -6.563 1.00 0.00 N ATOM 1556 CA GLN B 40 -11.319 -4.886 -6.269 1.00 0.00 C ATOM 1557 C GLN B 40 -10.431 -3.639 -6.038 1.00 0.00 C ATOM 1558 O GLN B 40 -10.890 -2.679 -5.478 1.00 0.00 O ATOM 1559 CB GLN B 40 -12.068 -5.184 -4.950 1.00 0.00 C ATOM 1560 CG GLN B 40 -12.494 -6.649 -4.843 1.00 0.00 C ATOM 1561 CD GLN B 40 -13.757 -6.767 -3.982 1.00 0.00 C ATOM 1562 OE1 GLN B 40 -14.710 -7.411 -4.371 1.00 0.00 O ATOM 1563 NE2 GLN B 40 -13.809 -6.168 -2.819 1.00 0.00 N ATOM 0 H GLN B 40 -10.131 -6.578 -5.734 1.00 0.00 H new ATOM 0 HA GLN B 40 -12.001 -4.699 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -11.427 -4.932 -4.106 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -12.949 -4.546 -4.883 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -12.682 -7.055 -5.837 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.689 -7.239 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -13.011 -5.626 -2.488 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -14.648 -6.243 -2.244 1.00 0.00 H new ATOM 1572 N SER B 41 -9.162 -3.661 -6.433 1.00 0.00 N ATOM 1573 CA SER B 41 -8.234 -2.490 -6.199 1.00 0.00 C ATOM 1574 C SER B 41 -8.785 -1.198 -6.819 1.00 0.00 C ATOM 1575 O SER B 41 -8.763 -0.159 -6.182 1.00 0.00 O ATOM 1576 CB SER B 41 -6.932 -2.890 -6.868 1.00 0.00 C ATOM 1577 OG SER B 41 -5.950 -1.887 -6.674 1.00 0.00 O ATOM 0 H SER B 41 -8.730 -4.451 -6.912 1.00 0.00 H new ATOM 0 HA SER B 41 -8.112 -2.281 -5.136 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.580 -3.837 -6.458 1.00 0.00 H new ATOM 0 HB3 SER B 41 -7.096 -3.046 -7.934 1.00 0.00 H new ATOM 0 HG SER B 41 -5.933 -1.291 -7.452 1.00 0.00 H new ATOM 1583 N ALA B 42 -9.304 -1.259 -8.036 1.00 0.00 N ATOM 1584 CA ALA B 42 -9.893 -0.027 -8.668 1.00 0.00 C ATOM 1585 C ALA B 42 -11.087 0.426 -7.812 1.00 0.00 C ATOM 1586 O ALA B 42 -11.229 1.597 -7.504 1.00 0.00 O ATOM 1587 CB ALA B 42 -10.348 -0.450 -10.070 1.00 0.00 C ATOM 0 H ALA B 42 -9.343 -2.101 -8.610 1.00 0.00 H new ATOM 0 HA ALA B 42 -9.187 0.801 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -10.787 0.405 -10.583 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -9.490 -0.812 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -11.090 -1.244 -9.988 1.00 0.00 H new ATOM 1593 N ASN B 43 -11.913 -0.521 -7.391 1.00 0.00 N ATOM 1594 CA ASN B 43 -13.068 -0.206 -6.508 1.00 0.00 C ATOM 1595 C ASN B 43 -12.567 0.254 -5.121 1.00 0.00 C ATOM 1596 O ASN B 43 -13.165 1.110 -4.517 1.00 0.00 O ATOM 1597 CB ASN B 43 -13.860 -1.519 -6.400 1.00 0.00 C ATOM 1598 CG ASN B 43 -15.210 -1.273 -5.719 1.00 0.00 C ATOM 1599 OD1 ASN B 43 -15.956 -0.392 -6.103 1.00 0.00 O ATOM 1600 ND2 ASN B 43 -15.561 -2.031 -4.718 1.00 0.00 N ATOM 0 H ASN B 43 -11.822 -1.508 -7.633 1.00 0.00 H new ATOM 0 HA ASN B 43 -13.684 0.602 -6.902 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -14.018 -1.939 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -13.287 -2.251 -5.832 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -16.460 -1.885 -4.258 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -14.937 -2.770 -4.395 1.00 0.00 H new ATOM 1607 N LEU B 44 -11.465 -0.304 -4.631 1.00 0.00 N ATOM 1608 CA LEU B 44 -10.904 0.101 -3.292 1.00 0.00 C ATOM 1609 C LEU B 44 -10.481 1.561 -3.328 1.00 0.00 C ATOM 1610 O LEU B 44 -10.830 2.339 -2.468 1.00 0.00 O ATOM 1611 CB LEU B 44 -9.699 -0.818 -3.072 1.00 0.00 C ATOM 1612 CG LEU B 44 -10.135 -2.021 -2.244 1.00 0.00 C ATOM 1613 CD1 LEU B 44 -9.409 -3.282 -2.725 1.00 0.00 C ATOM 1614 CD2 LEU B 44 -9.800 -1.728 -0.777 1.00 0.00 C ATOM 0 H LEU B 44 -10.931 -1.028 -5.111 1.00 0.00 H new ATOM 0 HA LEU B 44 -11.631 0.005 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.297 -1.147 -4.030 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -8.902 -0.278 -2.560 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.206 -2.193 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -9.728 -4.136 -2.127 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -9.649 -3.463 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -8.333 -3.145 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -10.102 -2.574 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -8.727 -1.568 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -10.333 -0.834 -0.454 1.00 0.00 H new ATOM 1626 N LEU B 45 -9.765 1.920 -4.352 1.00 0.00 N ATOM 1627 CA LEU B 45 -9.331 3.338 -4.551 1.00 0.00 C ATOM 1628 C LEU B 45 -10.563 4.253 -4.546 1.00 0.00 C ATOM 1629 O LEU B 45 -10.588 5.274 -3.880 1.00 0.00 O ATOM 1630 CB LEU B 45 -8.643 3.345 -5.930 1.00 0.00 C ATOM 1631 CG LEU B 45 -8.405 4.779 -6.415 1.00 0.00 C ATOM 1632 CD1 LEU B 45 -7.769 5.604 -5.299 1.00 0.00 C ATOM 1633 CD2 LEU B 45 -7.484 4.752 -7.632 1.00 0.00 C ATOM 0 H LEU B 45 -9.452 1.278 -5.080 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.663 3.696 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -7.693 2.815 -5.869 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -9.261 2.810 -6.652 1.00 0.00 H new ATOM 0 HG LEU B 45 -9.357 5.234 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.602 6.623 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -8.434 5.622 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.816 5.158 -5.014 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -7.312 5.770 -7.981 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.532 4.296 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -7.949 4.170 -8.428 1.00 0.00 H new ATOM 1645 N ALA B 46 -11.592 3.858 -5.264 1.00 0.00 N ATOM 1646 CA ALA B 46 -12.859 4.652 -5.305 1.00 0.00 C ATOM 1647 C ALA B 46 -13.502 4.668 -3.910 1.00 0.00 C ATOM 1648 O ALA B 46 -13.901 5.703 -3.410 1.00 0.00 O ATOM 1649 CB ALA B 46 -13.754 3.875 -6.261 1.00 0.00 C ATOM 0 H ALA B 46 -11.604 3.009 -5.829 1.00 0.00 H new ATOM 0 HA ALA B 46 -12.699 5.685 -5.613 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -14.713 4.384 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -13.276 3.815 -7.239 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -13.914 2.869 -5.873 1.00 0.00 H new ATOM 1655 N GLU B 47 -13.570 3.505 -3.288 1.00 0.00 N ATOM 1656 CA GLU B 47 -14.143 3.357 -1.915 1.00 0.00 C ATOM 1657 C GLU B 47 -13.356 4.223 -0.916 1.00 0.00 C ATOM 1658 O GLU B 47 -13.923 4.782 0.002 1.00 0.00 O ATOM 1659 CB GLU B 47 -13.970 1.866 -1.587 1.00 0.00 C ATOM 1660 CG GLU B 47 -15.073 1.037 -2.262 1.00 0.00 C ATOM 1661 CD GLU B 47 -14.856 -0.452 -1.953 1.00 0.00 C ATOM 1662 OE1 GLU B 47 -13.891 -1.012 -2.450 1.00 0.00 O ATOM 1663 OE2 GLU B 47 -15.662 -1.006 -1.227 1.00 0.00 O ATOM 0 H GLU B 47 -13.240 2.630 -3.695 1.00 0.00 H new ATOM 0 HA GLU B 47 -15.184 3.676 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -12.992 1.524 -1.924 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -14.004 1.718 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -16.052 1.355 -1.904 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -15.059 1.202 -3.339 1.00 0.00 H new ATOM 1670 N ALA B 48 -12.053 4.345 -1.116 1.00 0.00 N ATOM 1671 CA ALA B 48 -11.199 5.186 -0.214 1.00 0.00 C ATOM 1672 C ALA B 48 -11.578 6.664 -0.386 1.00 0.00 C ATOM 1673 O ALA B 48 -11.830 7.358 0.582 1.00 0.00 O ATOM 1674 CB ALA B 48 -9.751 4.927 -0.667 1.00 0.00 C ATOM 0 H ALA B 48 -11.546 3.890 -1.876 1.00 0.00 H new ATOM 0 HA ALA B 48 -11.329 4.942 0.840 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.067 5.510 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -9.521 3.867 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -9.638 5.220 -1.711 1.00 0.00 H new ATOM 1680 N LYS B 49 -11.643 7.134 -1.623 1.00 0.00 N ATOM 1681 CA LYS B 49 -12.028 8.565 -1.894 1.00 0.00 C ATOM 1682 C LYS B 49 -13.454 8.839 -1.397 1.00 0.00 C ATOM 1683 O LYS B 49 -13.689 9.813 -0.718 1.00 0.00 O ATOM 1684 CB LYS B 49 -11.965 8.740 -3.422 1.00 0.00 C ATOM 1685 CG LYS B 49 -10.525 8.585 -3.928 1.00 0.00 C ATOM 1686 CD LYS B 49 -10.493 8.824 -5.441 1.00 0.00 C ATOM 1687 CE LYS B 49 -9.122 8.427 -6.004 1.00 0.00 C ATOM 1688 NZ LYS B 49 -8.919 9.283 -7.213 1.00 0.00 N ATOM 0 H LYS B 49 -11.444 6.582 -2.457 1.00 0.00 H new ATOM 0 HA LYS B 49 -11.362 9.257 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -12.606 8.002 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -12.348 9.723 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.871 9.295 -3.422 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -10.152 7.587 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -11.277 8.243 -5.926 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -10.694 9.873 -5.656 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -8.334 8.593 -5.270 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -9.097 7.369 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -7.926 9.226 -7.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.535 8.950 -7.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.155 10.270 -6.983 1.00 0.00 H new ATOM 1702 N LYS B 50 -14.401 7.978 -1.723 1.00 0.00 N ATOM 1703 CA LYS B 50 -15.823 8.179 -1.261 1.00 0.00 C ATOM 1704 C LYS B 50 -15.916 8.119 0.273 1.00 0.00 C ATOM 1705 O LYS B 50 -16.663 8.870 0.873 1.00 0.00 O ATOM 1706 CB LYS B 50 -16.637 7.056 -1.918 1.00 0.00 C ATOM 1707 CG LYS B 50 -16.748 7.331 -3.425 1.00 0.00 C ATOM 1708 CD LYS B 50 -17.528 6.202 -4.108 1.00 0.00 C ATOM 1709 CE LYS B 50 -19.031 6.367 -3.838 1.00 0.00 C ATOM 1710 NZ LYS B 50 -19.709 5.390 -4.743 1.00 0.00 N ATOM 0 H LYS B 50 -14.250 7.144 -2.290 1.00 0.00 H new ATOM 0 HA LYS B 50 -16.204 9.159 -1.546 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -16.156 6.093 -1.746 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -17.630 7.001 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -17.250 8.284 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -15.753 7.413 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -17.339 6.215 -5.181 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -17.187 5.236 -3.736 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -19.267 6.163 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -19.357 7.386 -4.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -20.739 5.450 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -19.474 5.612 -5.732 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -19.387 4.427 -4.518 1.00 0.00 H new ATOM 1724 N LEU B 51 -15.143 7.256 0.913 1.00 0.00 N ATOM 1725 CA LEU B 51 -15.160 7.173 2.416 1.00 0.00 C ATOM 1726 C LEU B 51 -14.633 8.484 3.030 1.00 0.00 C ATOM 1727 O LEU B 51 -15.128 8.924 4.054 1.00 0.00 O ATOM 1728 CB LEU B 51 -14.264 5.975 2.774 1.00 0.00 C ATOM 1729 CG LEU B 51 -14.092 5.845 4.300 1.00 0.00 C ATOM 1730 CD1 LEU B 51 -15.455 5.877 5.015 1.00 0.00 C ATOM 1731 CD2 LEU B 51 -13.385 4.519 4.600 1.00 0.00 C ATOM 0 H LEU B 51 -14.502 6.607 0.456 1.00 0.00 H new ATOM 0 HA LEU B 51 -16.167 7.036 2.811 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -14.700 5.059 2.375 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -13.288 6.094 2.304 1.00 0.00 H new ATOM 0 HG LEU B 51 -13.500 6.685 4.664 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -15.304 5.783 6.090 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -15.957 6.820 4.800 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -16.071 5.050 4.662 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -13.255 4.411 5.677 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -13.987 3.692 4.222 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -12.409 4.509 4.114 1.00 0.00 H new ATOM 1743 N ASN B 52 -13.653 9.119 2.397 1.00 0.00 N ATOM 1744 CA ASN B 52 -13.113 10.421 2.920 1.00 0.00 C ATOM 1745 C ASN B 52 -14.267 11.449 3.054 1.00 0.00 C ATOM 1746 O ASN B 52 -14.253 12.277 3.940 1.00 0.00 O ATOM 1747 CB ASN B 52 -12.019 10.833 1.883 1.00 0.00 C ATOM 1748 CG ASN B 52 -12.389 12.022 0.956 1.00 0.00 C ATOM 1749 OD1 ASN B 52 -13.492 12.159 0.483 1.00 0.00 O ATOM 1750 ND2 ASN B 52 -11.466 12.876 0.634 1.00 0.00 N ATOM 0 H ASN B 52 -13.209 8.785 1.541 1.00 0.00 H new ATOM 0 HA ASN B 52 -12.678 10.356 3.918 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -11.108 11.087 2.424 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -11.789 9.968 1.261 1.00 0.00 H new ATOM 0 HD21 ASN B 52 -11.680 13.641 -0.005 1.00 0.00 H new ATOM 0 HD22 ASN B 52 -10.527 12.782 1.020 1.00 0.00 H new ATOM 1757 N ASP B 53 -15.266 11.376 2.178 1.00 0.00 N ATOM 1758 CA ASP B 53 -16.430 12.328 2.227 1.00 0.00 C ATOM 1759 C ASP B 53 -17.262 12.141 3.500 1.00 0.00 C ATOM 1760 O ASP B 53 -17.765 13.102 4.056 1.00 0.00 O ATOM 1761 CB ASP B 53 -17.309 12.002 1.012 1.00 0.00 C ATOM 1762 CG ASP B 53 -16.581 12.344 -0.286 1.00 0.00 C ATOM 1763 OD1 ASP B 53 -16.539 13.513 -0.625 1.00 0.00 O ATOM 1764 OD2 ASP B 53 -16.079 11.432 -0.915 1.00 0.00 O ATOM 0 H ASP B 53 -15.316 10.687 1.427 1.00 0.00 H new ATOM 0 HA ASP B 53 -16.067 13.356 2.220 1.00 0.00 H new ATOM 0 HB2 ASP B 53 -17.572 10.944 1.020 1.00 0.00 H new ATOM 0 HB3 ASP B 53 -18.242 12.563 1.071 1.00 0.00 H new ATOM 1769 N ALA B 54 -17.410 10.906 3.956 1.00 0.00 N ATOM 1770 CA ALA B 54 -18.218 10.630 5.195 1.00 0.00 C ATOM 1771 C ALA B 54 -17.622 11.370 6.405 1.00 0.00 C ATOM 1772 O ALA B 54 -18.340 11.787 7.298 1.00 0.00 O ATOM 1773 CB ALA B 54 -18.127 9.112 5.386 1.00 0.00 C ATOM 0 H ALA B 54 -17.003 10.079 3.519 1.00 0.00 H new ATOM 0 HA ALA B 54 -19.249 10.972 5.103 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -18.691 8.822 6.272 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -18.541 8.610 4.512 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -17.083 8.823 5.510 1.00 0.00 H new ATOM 1779 N GLN B 55 -16.320 11.543 6.420 1.00 0.00 N ATOM 1780 CA GLN B 55 -15.637 12.262 7.540 1.00 0.00 C ATOM 1781 C GLN B 55 -15.439 13.753 7.185 1.00 0.00 C ATOM 1782 O GLN B 55 -15.473 14.604 8.057 1.00 0.00 O ATOM 1783 CB GLN B 55 -14.297 11.533 7.670 1.00 0.00 C ATOM 1784 CG GLN B 55 -14.534 10.131 8.249 1.00 0.00 C ATOM 1785 CD GLN B 55 -13.265 9.302 8.088 1.00 0.00 C ATOM 1786 OE1 GLN B 55 -12.746 8.759 9.042 1.00 0.00 O ATOM 1787 NE2 GLN B 55 -12.739 9.191 6.905 1.00 0.00 N ATOM 0 H GLN B 55 -15.692 11.209 5.689 1.00 0.00 H new ATOM 0 HA GLN B 55 -16.206 12.254 8.470 1.00 0.00 H new ATOM 0 HB2 GLN B 55 -13.814 11.459 6.695 1.00 0.00 H new ATOM 0 HB3 GLN B 55 -13.625 12.097 8.317 1.00 0.00 H new ATOM 0 HG2 GLN B 55 -14.806 10.201 9.302 1.00 0.00 H new ATOM 0 HG3 GLN B 55 -15.366 9.648 7.736 1.00 0.00 H new ATOM 0 HE21 GLN B 55 -13.178 9.649 6.106 1.00 0.00 H new ATOM 0 HE22 GLN B 55 -11.887 8.646 6.775 1.00 0.00 H new ATOM 1796 N ALA B 56 -15.221 14.069 5.913 1.00 0.00 N ATOM 1797 CA ALA B 56 -15.004 15.495 5.490 1.00 0.00 C ATOM 1798 C ALA B 56 -15.284 15.681 3.982 1.00 0.00 C ATOM 1799 O ALA B 56 -15.073 14.771 3.216 1.00 0.00 O ATOM 1800 CB ALA B 56 -13.526 15.736 5.763 1.00 0.00 C ATOM 0 H ALA B 56 -15.186 13.390 5.152 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.665 16.182 6.018 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -13.266 16.757 5.485 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -13.323 15.586 6.823 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -12.929 15.038 5.177 1.00 0.00 H new ATOM 1806 N PRO B 57 -15.725 16.869 3.597 1.00 0.00 N ATOM 1807 CA PRO B 57 -16.007 17.151 2.154 1.00 0.00 C ATOM 1808 C PRO B 57 -14.691 17.309 1.366 1.00 0.00 C ATOM 1809 O PRO B 57 -13.692 17.761 1.904 1.00 0.00 O ATOM 1810 CB PRO B 57 -16.781 18.467 2.191 1.00 0.00 C ATOM 1811 CG PRO B 57 -16.362 19.131 3.464 1.00 0.00 C ATOM 1812 CD PRO B 57 -15.993 18.044 4.441 1.00 0.00 C ATOM 0 HA PRO B 57 -16.559 16.350 1.662 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -16.545 19.088 1.327 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -17.857 18.292 2.173 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -15.515 19.794 3.290 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -17.171 19.745 3.861 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -15.117 18.319 5.029 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -16.802 17.851 5.145 1.00 0.00 H new ATOM 1820 N LYS B 58 -14.689 16.940 0.097 1.00 0.00 N ATOM 1821 CA LYS B 58 -13.436 17.068 -0.741 1.00 0.00 C ATOM 1822 C LYS B 58 -13.025 18.546 -0.890 1.00 0.00 C ATOM 1823 O LYS B 58 -11.871 18.843 -0.629 1.00 0.00 O ATOM 1824 CB LYS B 58 -13.764 16.466 -2.121 1.00 0.00 C ATOM 1825 CG LYS B 58 -13.954 14.950 -2.007 1.00 0.00 C ATOM 1826 CD LYS B 58 -14.122 14.343 -3.411 1.00 0.00 C ATOM 1827 CE LYS B 58 -14.555 12.866 -3.320 1.00 0.00 C ATOM 1828 NZ LYS B 58 -13.467 12.145 -2.586 1.00 0.00 N ATOM 1829 OXT LYS B 58 -13.868 19.355 -1.258 1.00 0.00 O ATOM 0 H LYS B 58 -15.497 16.557 -0.394 1.00 0.00 H new ATOM 0 HA LYS B 58 -12.603 16.548 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS B 58 -14.669 16.924 -2.520 1.00 0.00 H new ATOM 0 HB3 LYS B 58 -12.960 16.687 -2.822 1.00 0.00 H new ATOM 0 HG2 LYS B 58 -13.095 14.502 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS B 58 -14.830 14.728 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS B 58 -14.865 14.911 -3.971 1.00 0.00 H new ATOM 0 HD3 LYS B 58 -13.183 14.418 -3.960 1.00 0.00 H new ATOM 0 HE2 LYS B 58 -15.505 12.773 -2.794 1.00 0.00 H new ATOM 0 HE3 LYS B 58 -14.698 12.442 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 -13.551 11.123 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 -12.541 12.478 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 -13.552 12.333 -1.567 1.00 0.00 H new TER 1843 LYS B 58