USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 923 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 21 ASN :FLIP amide:sc= -0.812 F(o=-7.6,f=-5.4) USER MOD Set 1.2: B 52 ASN : amide:sc= -4.57! C(o=-5.4!,f=-12!) USER MOD Set 2.1: B 3 ASN : amide:sc= -0.849 K(o=-0.86,f=-2.9) USER MOD Set 2.2: B 39 SER OG : rot 180:sc= -0.0125 USER MOD Set 3.1: B 26 GLN :FLIP amide:sc= -0.389 F(o=-16!,f=-1.2) USER MOD Set 3.2: B 55 GLN :FLIP amide:sc= -0.797 F(o=-3.1!,f=-1.2) USER MOD Set 4.1: A 23 ASN : amide:sc= -0.438 K(o=-5.6,f=-16!) USER MOD Set 4.2: A 26 GLN : amide:sc= -3.51! C(o=-5.6!,f=-21!) USER MOD Set 4.3: A 55 GLN :FLIP amide:sc= -1.62! C(o=-8.9!,f=-5.6!) USER MOD Set 5.1: A 40 GLN :FLIP amide:sc= -0.0512 F(o=-2.3,f=-0.051) USER MOD Set 5.2: A 43 ASN :FLIP amide:sc= 0 X(o=-0.081,f=-0.051) USER MOD Set 6.1: A 21 ASN : amide:sc= -0.838 K(o=-7.5,f=-9.1) USER MOD Set 6.2: A 52 ASN : amide:sc= -6.66! C(o=-7.5!,f=-16!) USER MOD Set 7.1: A 13 THR OG1 : rot 107:sc= -3.44! USER MOD Set 7.2: B 17 MET CE :methyl -132:sc= -12.7! (180deg=-13!) USER MOD Single : A 1 VAL N :NH3+ -141:sc= -0.0795 (180deg=-0.682) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 4 LYS NZ :NH3+ -105:sc= -0.117 (180deg=-2.55!) USER MOD Single : A 6 ASN : amide:sc= -2.75 K(o=-2.8,f=-9.7!) USER MOD Single : A 7 LYS NZ :NH3+ 152:sc= -0.91 (180deg=-3.08!) USER MOD Single : A 18 ASN :FLIP amide:sc= -1.97 F(o=-3.6,f=-2) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= -0.839 (180deg=-1.26) USER MOD Single : A 33 SER OG : rot 76:sc= 0.848 USER MOD Single : A 39 SER OG : rot -59:sc= 1.19 USER MOD Single : A 41 SER OG : rot -93:sc= 0.667 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 171:sc= -0.386 (180deg=-0.736) USER MOD Single : A 58 LYS NZ :NH3+ -128:sc= -1.69 (180deg=-5.88!) USER MOD Single : B 1 VAL N :NH3+ -128:sc= -0.43 (180deg=-3.66!) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 ASN : amide:sc= -0.805! X(o=-0.81!,f=-0.55) USER MOD Single : B 7 LYS NZ :NH3+ -118:sc= 1.22 (180deg=-0.433) USER MOD Single : B 23 ASN : amide:sc= -9.32! C(o=-9.3!,f=-19!) USER MOD Single : B 24 SER OG : rot 157:sc= 0.00512 USER MOD Single : B 32 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 41 SER OG : rot 180:sc= -1.64 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00516) USER MOD Single : B 50 LYS NZ :NH3+ 145:sc= -1.81 (180deg=-3.58!) USER MOD Single : B 58 LYS NZ :NH3+ -134:sc= 0.954 (180deg=-0.452!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.912 -16.828 4.077 1.00 0.00 N ATOM 2 CA VAL A 1 12.031 -15.410 4.521 1.00 0.00 C ATOM 3 C VAL A 1 10.704 -14.961 5.130 1.00 0.00 C ATOM 4 O VAL A 1 9.631 -15.357 4.664 1.00 0.00 O ATOM 5 CB VAL A 1 12.390 -14.522 3.316 1.00 0.00 C ATOM 6 CG1 VAL A 1 12.544 -13.060 3.766 1.00 0.00 C ATOM 7 CG2 VAL A 1 13.709 -15.003 2.692 1.00 0.00 C ATOM 0 H1 VAL A 1 12.797 -17.333 4.286 1.00 0.00 H new ATOM 0 H2 VAL A 1 11.125 -17.285 4.581 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.731 -16.857 3.053 1.00 0.00 H new ATOM 0 HA VAL A 1 12.817 -15.322 5.271 1.00 0.00 H new ATOM 0 HB VAL A 1 11.590 -14.589 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 1 12.798 -12.440 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 1 11.607 -12.712 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 1 13.337 -12.990 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 1 13.960 -14.372 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 1 14.505 -14.944 3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 1 13.599 -16.035 2.359 1.00 0.00 H new ATOM 19 N ASP A 2 10.787 -14.128 6.168 1.00 0.00 N ATOM 20 CA ASP A 2 9.594 -13.618 6.837 1.00 0.00 C ATOM 21 C ASP A 2 8.953 -12.511 6.003 1.00 0.00 C ATOM 22 O ASP A 2 9.584 -11.492 5.726 1.00 0.00 O ATOM 23 CB ASP A 2 9.962 -13.080 8.228 1.00 0.00 C ATOM 24 CG ASP A 2 8.721 -12.554 8.964 1.00 0.00 C ATOM 25 OD1 ASP A 2 7.644 -13.098 8.762 1.00 0.00 O ATOM 26 OD2 ASP A 2 8.868 -11.610 9.722 1.00 0.00 O ATOM 0 H ASP A 2 11.667 -13.794 6.562 1.00 0.00 H new ATOM 0 HA ASP A 2 8.879 -14.433 6.948 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.429 -13.871 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.696 -12.280 8.129 1.00 0.00 H new ATOM 31 N ASN A 3 7.703 -12.733 5.602 1.00 0.00 N ATOM 32 CA ASN A 3 6.966 -11.765 4.789 1.00 0.00 C ATOM 33 C ASN A 3 6.129 -10.825 5.663 1.00 0.00 C ATOM 34 O ASN A 3 5.302 -10.071 5.147 1.00 0.00 O ATOM 35 CB ASN A 3 6.054 -12.510 3.804 1.00 0.00 C ATOM 36 CG ASN A 3 6.883 -13.444 2.921 1.00 0.00 C ATOM 37 OD1 ASN A 3 7.948 -13.062 2.434 1.00 0.00 O ATOM 38 ND2 ASN A 3 6.455 -14.653 2.688 1.00 0.00 N ATOM 0 H ASN A 3 7.177 -13.577 5.827 1.00 0.00 H new ATOM 0 HA ASN A 3 7.688 -11.160 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 3 5.306 -13.084 4.352 1.00 0.00 H new ATOM 0 HB3 ASN A 3 5.515 -11.794 3.183 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.002 -15.284 2.102 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.573 -14.968 3.092 1.00 0.00 H new ATOM 45 N LYS A 4 6.340 -10.875 6.983 1.00 0.00 N ATOM 46 CA LYS A 4 5.585 -10.019 7.902 1.00 0.00 C ATOM 47 C LYS A 4 5.762 -8.546 7.532 1.00 0.00 C ATOM 48 O LYS A 4 4.791 -7.798 7.470 1.00 0.00 O ATOM 49 CB LYS A 4 6.051 -10.247 9.343 1.00 0.00 C ATOM 50 CG LYS A 4 5.096 -9.539 10.308 1.00 0.00 C ATOM 51 CD LYS A 4 5.606 -9.680 11.744 1.00 0.00 C ATOM 52 CE LYS A 4 4.617 -9.011 12.703 1.00 0.00 C ATOM 53 NZ LYS A 4 5.017 -7.591 12.920 1.00 0.00 N ATOM 0 H LYS A 4 7.018 -11.490 7.433 1.00 0.00 H new ATOM 0 HA LYS A 4 4.530 -10.279 7.821 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.081 -11.314 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.064 -9.867 9.473 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.014 -8.485 10.044 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.097 -9.967 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.721 -10.734 11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.590 -9.220 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.608 -9.057 12.292 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.599 -9.544 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.447 -7.492 13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.705 -7.309 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.178 -6.980 12.857 1.00 0.00 H new ATOM 67 N PHE A 5 7.011 -8.148 7.272 1.00 0.00 N ATOM 68 CA PHE A 5 7.313 -6.775 6.895 1.00 0.00 C ATOM 69 C PHE A 5 6.553 -6.403 5.624 1.00 0.00 C ATOM 70 O PHE A 5 6.047 -5.295 5.513 1.00 0.00 O ATOM 71 CB PHE A 5 8.830 -6.590 6.695 1.00 0.00 C ATOM 72 CG PHE A 5 9.250 -7.088 5.324 1.00 0.00 C ATOM 73 CD1 PHE A 5 9.472 -8.452 5.112 1.00 0.00 C ATOM 74 CD2 PHE A 5 9.410 -6.179 4.267 1.00 0.00 C ATOM 75 CE1 PHE A 5 9.852 -8.910 3.845 1.00 0.00 C ATOM 76 CE2 PHE A 5 9.791 -6.638 3.004 1.00 0.00 C ATOM 77 CZ PHE A 5 10.013 -8.003 2.791 1.00 0.00 C ATOM 0 H PHE A 5 7.825 -8.761 7.317 1.00 0.00 H new ATOM 0 HA PHE A 5 6.994 -6.112 7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.091 -5.537 6.802 1.00 0.00 H new ATOM 0 HB3 PHE A 5 9.374 -7.133 7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 5 9.350 -9.152 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 5 9.239 -5.125 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 5 10.021 -9.964 3.681 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.914 -5.938 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.308 -8.357 1.814 1.00 0.00 H new ATOM 87 N ASN A 6 6.468 -7.348 4.674 1.00 0.00 N ATOM 88 CA ASN A 6 5.748 -7.113 3.431 1.00 0.00 C ATOM 89 C ASN A 6 4.276 -6.918 3.722 1.00 0.00 C ATOM 90 O ASN A 6 3.626 -6.025 3.183 1.00 0.00 O ATOM 91 CB ASN A 6 5.893 -8.319 2.507 1.00 0.00 C ATOM 92 CG ASN A 6 5.299 -8.011 1.141 1.00 0.00 C ATOM 93 OD1 ASN A 6 5.315 -6.869 0.702 1.00 0.00 O ATOM 94 ND2 ASN A 6 4.750 -8.972 0.459 1.00 0.00 N ATOM 0 H ASN A 6 6.889 -8.274 4.750 1.00 0.00 H new ATOM 0 HA ASN A 6 6.162 -6.224 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.946 -8.581 2.403 1.00 0.00 H new ATOM 0 HB3 ASN A 6 5.391 -9.183 2.943 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.328 -8.777 -0.449 1.00 0.00 H new ATOM 0 HD22 ASN A 6 4.741 -9.921 0.832 1.00 0.00 H new ATOM 101 N LYS A 7 3.770 -7.778 4.597 1.00 0.00 N ATOM 102 CA LYS A 7 2.385 -7.735 4.991 1.00 0.00 C ATOM 103 C LYS A 7 2.121 -6.404 5.667 1.00 0.00 C ATOM 104 O LYS A 7 1.109 -5.752 5.426 1.00 0.00 O ATOM 105 CB LYS A 7 2.101 -8.912 5.939 1.00 0.00 C ATOM 106 CG LYS A 7 0.599 -9.178 5.989 1.00 0.00 C ATOM 107 CD LYS A 7 0.313 -10.522 6.670 1.00 0.00 C ATOM 108 CE LYS A 7 -1.022 -11.073 6.152 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.134 -10.171 6.571 1.00 0.00 N ATOM 0 H LYS A 7 4.312 -8.517 5.046 1.00 0.00 H new ATOM 0 HA LYS A 7 1.726 -7.826 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.627 -9.803 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.474 -8.686 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.100 -8.375 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.191 -9.182 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.117 -11.228 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.273 -10.394 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.996 -11.154 5.065 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.188 -12.077 6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.911 -10.236 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.478 -10.457 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.789 -9.191 6.612 1.00 0.00 H new ATOM 123 N GLU A 8 3.071 -5.997 6.496 1.00 0.00 N ATOM 124 CA GLU A 8 2.968 -4.731 7.193 1.00 0.00 C ATOM 125 C GLU A 8 3.189 -3.561 6.236 1.00 0.00 C ATOM 126 O GLU A 8 2.519 -2.540 6.328 1.00 0.00 O ATOM 127 CB GLU A 8 3.976 -4.687 8.340 1.00 0.00 C ATOM 128 CG GLU A 8 3.540 -5.643 9.459 1.00 0.00 C ATOM 129 CD GLU A 8 4.571 -5.630 10.587 1.00 0.00 C ATOM 130 OE1 GLU A 8 5.655 -6.156 10.383 1.00 0.00 O ATOM 131 OE2 GLU A 8 4.264 -5.095 11.640 1.00 0.00 O ATOM 0 H GLU A 8 3.919 -6.526 6.700 1.00 0.00 H new ATOM 0 HA GLU A 8 1.962 -4.640 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.965 -4.966 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.054 -3.671 8.728 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.564 -5.346 9.843 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.433 -6.653 9.064 1.00 0.00 H new ATOM 138 N LEU A 9 4.104 -3.751 5.294 1.00 0.00 N ATOM 139 CA LEU A 9 4.398 -2.745 4.266 1.00 0.00 C ATOM 140 C LEU A 9 3.128 -2.492 3.488 1.00 0.00 C ATOM 141 O LEU A 9 2.802 -1.353 3.156 1.00 0.00 O ATOM 142 CB LEU A 9 5.514 -3.271 3.343 1.00 0.00 C ATOM 143 CG LEU A 9 5.695 -2.350 2.122 1.00 0.00 C ATOM 144 CD1 LEU A 9 6.544 -1.124 2.455 1.00 0.00 C ATOM 145 CD2 LEU A 9 6.382 -3.121 1.010 1.00 0.00 C ATOM 0 H LEU A 9 4.664 -4.600 5.216 1.00 0.00 H new ATOM 0 HA LEU A 9 4.741 -1.813 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.450 -3.335 3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.271 -4.280 3.010 1.00 0.00 H new ATOM 0 HG LEU A 9 4.706 -2.013 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.647 -0.501 1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.061 -0.551 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.530 -1.445 2.790 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.512 -2.472 0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.357 -3.466 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.771 -3.980 0.732 1.00 0.00 H new ATOM 157 N GLY A 10 2.389 -3.563 3.238 1.00 0.00 N ATOM 158 CA GLY A 10 1.149 -3.447 2.546 1.00 0.00 C ATOM 159 C GLY A 10 0.103 -2.839 3.459 1.00 0.00 C ATOM 160 O GLY A 10 -0.705 -2.012 3.049 1.00 0.00 O ATOM 0 H GLY A 10 2.640 -4.513 3.510 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.275 -2.827 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.820 -4.428 2.205 1.00 0.00 H new ATOM 164 N TRP A 11 0.094 -3.285 4.703 1.00 0.00 N ATOM 165 CA TRP A 11 -0.891 -2.790 5.633 1.00 0.00 C ATOM 166 C TRP A 11 -0.704 -1.366 6.040 1.00 0.00 C ATOM 167 O TRP A 11 -1.661 -0.593 6.013 1.00 0.00 O ATOM 168 CB TRP A 11 -1.025 -3.681 6.845 1.00 0.00 C ATOM 169 CG TRP A 11 -2.483 -3.752 7.210 1.00 0.00 C ATOM 170 CD1 TRP A 11 -2.937 -3.843 8.461 1.00 0.00 C ATOM 171 CD2 TRP A 11 -3.682 -3.714 6.342 1.00 0.00 C ATOM 172 NE1 TRP A 11 -4.319 -3.895 8.440 1.00 0.00 N ATOM 173 CE2 TRP A 11 -4.821 -3.809 7.160 1.00 0.00 C ATOM 174 CE3 TRP A 11 -3.890 -3.616 4.942 1.00 0.00 C ATOM 175 CZ2 TRP A 11 -6.109 -3.803 6.624 1.00 0.00 C ATOM 176 CZ3 TRP A 11 -5.167 -3.609 4.400 1.00 0.00 C ATOM 177 CH2 TRP A 11 -6.286 -3.700 5.237 1.00 0.00 C ATOM 0 H TRP A 11 0.744 -3.974 5.081 1.00 0.00 H new ATOM 0 HA TRP A 11 -1.826 -2.817 5.074 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.637 -4.677 6.631 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.443 -3.284 7.676 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.323 -3.872 9.349 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.899 -3.986 9.274 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.036 -3.545 4.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.967 -3.877 7.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -5.298 -3.533 3.331 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.281 -3.691 4.816 1.00 0.00 H new ATOM 188 N ALA A 12 0.497 -1.005 6.420 1.00 0.00 N ATOM 189 CA ALA A 12 0.727 0.351 6.824 1.00 0.00 C ATOM 190 C ALA A 12 0.314 1.269 5.672 1.00 0.00 C ATOM 191 O ALA A 12 -0.318 2.294 5.883 1.00 0.00 O ATOM 192 CB ALA A 12 2.193 0.535 7.196 1.00 0.00 C ATOM 0 H ALA A 12 1.311 -1.619 6.457 1.00 0.00 H new ATOM 0 HA ALA A 12 0.135 0.602 7.704 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.364 1.567 7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.447 -0.134 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.819 0.304 6.334 1.00 0.00 H new ATOM 198 N THR A 13 0.611 0.826 4.447 1.00 0.00 N ATOM 199 CA THR A 13 0.219 1.546 3.240 1.00 0.00 C ATOM 200 C THR A 13 -1.292 1.761 3.220 1.00 0.00 C ATOM 201 O THR A 13 -1.758 2.865 2.954 1.00 0.00 O ATOM 202 CB THR A 13 0.666 0.707 2.046 1.00 0.00 C ATOM 203 OG1 THR A 13 2.046 0.910 1.856 1.00 0.00 O ATOM 204 CG2 THR A 13 -0.091 1.091 0.780 1.00 0.00 C ATOM 0 H THR A 13 1.126 -0.036 4.268 1.00 0.00 H new ATOM 0 HA THR A 13 0.686 2.530 3.205 1.00 0.00 H new ATOM 0 HB THR A 13 0.454 -0.343 2.249 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.536 0.110 2.138 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.252 0.474 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.159 0.933 0.932 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.091 2.141 0.551 1.00 0.00 H new ATOM 212 N TRP A 14 -2.034 0.699 3.521 1.00 0.00 N ATOM 213 CA TRP A 14 -3.497 0.747 3.556 1.00 0.00 C ATOM 214 C TRP A 14 -3.999 1.647 4.669 1.00 0.00 C ATOM 215 O TRP A 14 -4.903 2.448 4.473 1.00 0.00 O ATOM 216 CB TRP A 14 -4.010 -0.647 3.833 1.00 0.00 C ATOM 217 CG TRP A 14 -5.476 -0.762 3.564 1.00 0.00 C ATOM 218 CD1 TRP A 14 -6.443 -0.744 4.510 1.00 0.00 C ATOM 219 CD2 TRP A 14 -6.153 -0.954 2.298 1.00 0.00 C ATOM 220 NE1 TRP A 14 -7.658 -0.985 3.912 1.00 0.00 N ATOM 221 CE2 TRP A 14 -7.533 -1.117 2.551 1.00 0.00 C ATOM 222 CE3 TRP A 14 -5.715 -1.025 0.965 1.00 0.00 C ATOM 223 CZ2 TRP A 14 -8.430 -1.359 1.527 1.00 0.00 C ATOM 224 CZ3 TRP A 14 -6.613 -1.258 -0.054 1.00 0.00 C ATOM 225 CH2 TRP A 14 -7.961 -1.435 0.221 1.00 0.00 C ATOM 0 H TRP A 14 -1.643 -0.216 3.747 1.00 0.00 H new ATOM 0 HA TRP A 14 -3.849 1.135 2.600 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.469 -1.363 3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -3.809 -0.909 4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.286 -0.569 5.564 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.542 -1.057 4.417 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -4.667 -0.896 0.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -9.481 -1.487 1.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -6.264 -1.303 -1.075 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -8.651 -1.633 -0.586 1.00 0.00 H new ATOM 236 N GLU A 15 -3.414 1.480 5.847 1.00 0.00 N ATOM 237 CA GLU A 15 -3.810 2.256 7.010 1.00 0.00 C ATOM 238 C GLU A 15 -3.589 3.742 6.727 1.00 0.00 C ATOM 239 O GLU A 15 -4.421 4.580 7.074 1.00 0.00 O ATOM 240 CB GLU A 15 -3.009 1.768 8.218 1.00 0.00 C ATOM 241 CG GLU A 15 -3.395 0.303 8.518 1.00 0.00 C ATOM 242 CD GLU A 15 -2.414 -0.305 9.519 1.00 0.00 C ATOM 243 OE1 GLU A 15 -2.605 -0.102 10.707 1.00 0.00 O ATOM 244 OE2 GLU A 15 -1.481 -0.962 9.082 1.00 0.00 O ATOM 0 H GLU A 15 -2.663 0.813 6.021 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.869 2.122 7.230 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.940 1.842 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.214 2.397 9.085 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.408 0.261 8.918 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.392 -0.278 7.596 1.00 0.00 H new ATOM 251 N ILE A 16 -2.495 4.038 6.022 1.00 0.00 N ATOM 252 CA ILE A 16 -2.189 5.406 5.602 1.00 0.00 C ATOM 253 C ILE A 16 -3.211 5.815 4.531 1.00 0.00 C ATOM 254 O ILE A 16 -3.669 6.958 4.481 1.00 0.00 O ATOM 255 CB ILE A 16 -0.751 5.450 5.024 1.00 0.00 C ATOM 256 CG1 ILE A 16 0.268 5.128 6.127 1.00 0.00 C ATOM 257 CG2 ILE A 16 -0.426 6.834 4.446 1.00 0.00 C ATOM 258 CD1 ILE A 16 1.658 4.875 5.517 1.00 0.00 C ATOM 0 H ILE A 16 -1.805 3.346 5.730 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.246 6.095 6.445 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.693 4.709 4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.320 5.955 6.835 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.056 4.250 6.685 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.589 6.833 4.048 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.129 7.069 3.646 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.507 7.585 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.368 4.648 6.312 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.605 4.033 4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.987 5.764 4.979 1.00 0.00 H new ATOM 270 N PHE A 17 -3.560 4.835 3.694 1.00 0.00 N ATOM 271 CA PHE A 17 -4.536 5.004 2.611 1.00 0.00 C ATOM 272 C PHE A 17 -5.925 5.307 3.183 1.00 0.00 C ATOM 273 O PHE A 17 -6.685 6.099 2.623 1.00 0.00 O ATOM 274 CB PHE A 17 -4.606 3.683 1.824 1.00 0.00 C ATOM 275 CG PHE A 17 -4.783 3.907 0.341 1.00 0.00 C ATOM 276 CD1 PHE A 17 -3.661 4.032 -0.486 1.00 0.00 C ATOM 277 CD2 PHE A 17 -6.065 3.934 -0.213 1.00 0.00 C ATOM 278 CE1 PHE A 17 -3.821 4.180 -1.862 1.00 0.00 C ATOM 279 CE2 PHE A 17 -6.226 4.095 -1.591 1.00 0.00 C ATOM 280 CZ PHE A 17 -5.106 4.213 -2.414 1.00 0.00 C ATOM 0 H PHE A 17 -3.171 3.894 3.748 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.230 5.832 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.694 3.111 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.434 3.082 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.670 4.014 -0.057 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.931 3.830 0.424 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.955 4.269 -2.501 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.217 4.128 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.231 4.330 -3.480 1.00 0.00 H new ATOM 290 N ASN A 18 -6.246 4.623 4.283 1.00 0.00 N ATOM 291 CA ASN A 18 -7.546 4.745 4.943 1.00 0.00 C ATOM 292 C ASN A 18 -7.578 5.844 6.011 1.00 0.00 C ATOM 293 O ASN A 18 -8.583 5.975 6.717 1.00 0.00 O ATOM 294 CB ASN A 18 -7.914 3.399 5.590 1.00 0.00 C ATOM 295 CG ASN A 18 -8.226 2.346 4.524 1.00 0.00 C ATOM 296 OD1 ASN A 18 -7.356 2.086 3.590 1.00 0.00 O flip ATOM 297 ND2 ASN A 18 -9.295 1.737 4.548 1.00 0.00 N flip ATOM 0 H ASN A 18 -5.611 3.969 4.741 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.269 5.023 4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -7.091 3.055 6.216 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.778 3.529 6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.980 1.937 5.277 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -9.497 1.032 3.839 1.00 0.00 H new ATOM 304 N LEU A 19 -6.507 6.641 6.143 1.00 0.00 N ATOM 305 CA LEU A 19 -6.512 7.700 7.151 1.00 0.00 C ATOM 306 C LEU A 19 -7.528 8.776 6.755 1.00 0.00 C ATOM 307 O LEU A 19 -7.609 9.145 5.581 1.00 0.00 O ATOM 308 CB LEU A 19 -5.124 8.318 7.321 1.00 0.00 C ATOM 309 CG LEU A 19 -4.392 7.662 8.506 1.00 0.00 C ATOM 310 CD1 LEU A 19 -3.017 8.269 8.621 1.00 0.00 C ATOM 311 CD2 LEU A 19 -5.127 7.915 9.824 1.00 0.00 C ATOM 0 H LEU A 19 -5.656 6.574 5.584 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.796 7.263 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.544 8.185 6.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.214 9.391 7.489 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.345 6.588 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.487 7.813 9.457 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.463 8.091 7.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.106 9.342 8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.584 7.439 10.640 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.188 8.988 10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.133 7.499 9.765 1.00 0.00 H new ATOM 323 N PRO A 20 -8.326 9.253 7.686 1.00 0.00 N ATOM 324 CA PRO A 20 -9.386 10.263 7.406 1.00 0.00 C ATOM 325 C PRO A 20 -8.918 11.718 7.241 1.00 0.00 C ATOM 326 O PRO A 20 -9.777 12.604 7.209 1.00 0.00 O ATOM 327 CB PRO A 20 -10.334 10.142 8.619 1.00 0.00 C ATOM 328 CG PRO A 20 -9.788 9.068 9.498 1.00 0.00 C ATOM 329 CD PRO A 20 -8.334 8.899 9.113 1.00 0.00 C ATOM 0 HA PRO A 20 -9.836 10.050 6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.393 11.088 9.158 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.345 9.897 8.294 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.882 9.341 10.549 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.337 8.137 9.360 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.684 9.553 9.695 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -7.989 7.878 9.277 1.00 0.00 H new ATOM 337 N ASN A 21 -7.603 12.007 7.136 1.00 0.00 N ATOM 338 CA ASN A 21 -7.211 13.432 6.987 1.00 0.00 C ATOM 339 C ASN A 21 -5.978 13.656 6.107 1.00 0.00 C ATOM 340 O ASN A 21 -5.575 14.803 5.902 1.00 0.00 O ATOM 341 CB ASN A 21 -6.979 14.078 8.359 1.00 0.00 C ATOM 342 CG ASN A 21 -8.282 14.146 9.152 1.00 0.00 C ATOM 343 OD1 ASN A 21 -9.179 14.915 8.809 1.00 0.00 O ATOM 344 ND2 ASN A 21 -8.443 13.386 10.199 1.00 0.00 N ATOM 0 H ASN A 21 -6.840 11.330 7.149 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.050 13.907 6.478 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.238 13.504 8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.573 15.081 8.230 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.311 13.430 10.732 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.701 12.748 10.485 1.00 0.00 H new ATOM 351 N LEU A 22 -5.388 12.591 5.579 1.00 0.00 N ATOM 352 CA LEU A 22 -4.211 12.746 4.719 1.00 0.00 C ATOM 353 C LEU A 22 -4.618 13.086 3.296 1.00 0.00 C ATOM 354 O LEU A 22 -5.656 12.626 2.814 1.00 0.00 O ATOM 355 CB LEU A 22 -3.392 11.461 4.708 1.00 0.00 C ATOM 356 CG LEU A 22 -2.959 11.120 6.131 1.00 0.00 C ATOM 357 CD1 LEU A 22 -2.181 9.819 6.122 1.00 0.00 C ATOM 358 CD2 LEU A 22 -2.060 12.219 6.688 1.00 0.00 C ATOM 0 H LEU A 22 -5.693 11.628 5.724 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.611 13.562 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.982 10.645 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.517 11.581 4.069 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.849 11.027 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.871 9.574 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.812 9.020 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.300 9.926 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.759 11.963 7.704 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.174 12.317 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.604 13.164 6.698 1.00 0.00 H new ATOM 370 N ASN A 23 -3.781 13.876 2.619 1.00 0.00 N ATOM 371 CA ASN A 23 -4.057 14.248 1.236 1.00 0.00 C ATOM 372 C ASN A 23 -3.334 13.283 0.303 1.00 0.00 C ATOM 373 O ASN A 23 -2.504 12.484 0.748 1.00 0.00 O ATOM 374 CB ASN A 23 -3.643 15.707 0.964 1.00 0.00 C ATOM 375 CG ASN A 23 -2.124 15.869 0.895 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.382 15.109 1.506 1.00 0.00 O ATOM 377 ND2 ASN A 23 -1.617 16.832 0.177 1.00 0.00 N ATOM 0 H ASN A 23 -2.919 14.264 3.002 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.129 14.180 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.086 16.040 0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.041 16.349 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.605 16.951 0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.232 17.466 -0.333 1.00 0.00 H new ATOM 384 N GLY A 24 -3.668 13.344 -0.981 1.00 0.00 N ATOM 385 CA GLY A 24 -3.067 12.454 -1.971 1.00 0.00 C ATOM 386 C GLY A 24 -1.543 12.424 -1.870 1.00 0.00 C ATOM 387 O GLY A 24 -0.931 11.382 -2.083 1.00 0.00 O ATOM 0 H GLY A 24 -4.351 13.999 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.458 11.446 -1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.357 12.777 -2.971 1.00 0.00 H new ATOM 391 N VAL A 25 -0.937 13.570 -1.554 1.00 0.00 N ATOM 392 CA VAL A 25 0.520 13.657 -1.448 1.00 0.00 C ATOM 393 C VAL A 25 1.054 12.950 -0.208 1.00 0.00 C ATOM 394 O VAL A 25 1.990 12.166 -0.317 1.00 0.00 O ATOM 395 CB VAL A 25 0.952 15.120 -1.449 1.00 0.00 C ATOM 396 CG1 VAL A 25 2.471 15.213 -1.252 1.00 0.00 C ATOM 397 CG2 VAL A 25 0.574 15.734 -2.801 1.00 0.00 C ATOM 0 H VAL A 25 -1.428 14.444 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 25 0.943 13.148 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 25 0.457 15.655 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.775 16.260 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.743 14.758 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.976 14.688 -2.063 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.875 16.781 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.082 15.195 -3.600 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.504 15.663 -2.944 1.00 0.00 H new ATOM 407 N GLN A 26 0.480 13.228 0.966 1.00 0.00 N ATOM 408 CA GLN A 26 0.949 12.595 2.188 1.00 0.00 C ATOM 409 C GLN A 26 0.884 11.089 2.080 1.00 0.00 C ATOM 410 O GLN A 26 1.856 10.401 2.378 1.00 0.00 O ATOM 411 CB GLN A 26 0.096 13.052 3.356 1.00 0.00 C ATOM 412 CG GLN A 26 0.706 14.327 3.923 1.00 0.00 C ATOM 413 CD GLN A 26 -0.367 15.221 4.508 1.00 0.00 C ATOM 414 OE1 GLN A 26 -1.544 15.124 4.160 1.00 0.00 O ATOM 415 NE2 GLN A 26 -0.013 16.093 5.379 1.00 0.00 N ATOM 0 H GLN A 26 -0.297 13.877 1.089 1.00 0.00 H new ATOM 0 HA GLN A 26 1.987 12.886 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.928 13.233 3.030 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.055 12.278 4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.436 14.076 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.242 14.860 3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.965 16.165 5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.709 16.715 5.791 1.00 0.00 H new ATOM 424 N VAL A 27 -0.258 10.587 1.635 1.00 0.00 N ATOM 425 CA VAL A 27 -0.422 9.147 1.490 1.00 0.00 C ATOM 426 C VAL A 27 0.585 8.620 0.473 1.00 0.00 C ATOM 427 O VAL A 27 1.260 7.622 0.714 1.00 0.00 O ATOM 428 CB VAL A 27 -1.852 8.801 1.054 1.00 0.00 C ATOM 429 CG1 VAL A 27 -2.014 7.279 1.031 1.00 0.00 C ATOM 430 CG2 VAL A 27 -2.859 9.396 2.049 1.00 0.00 C ATOM 0 H VAL A 27 -1.072 11.143 1.372 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.242 8.674 2.455 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.036 9.213 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.028 7.026 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.302 6.848 0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.828 6.878 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.872 9.147 1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.676 8.985 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.744 10.480 2.079 1.00 0.00 H new ATOM 440 N LYS A 28 0.693 9.329 -0.647 1.00 0.00 N ATOM 441 CA LYS A 28 1.634 8.969 -1.704 1.00 0.00 C ATOM 442 C LYS A 28 3.066 9.003 -1.169 1.00 0.00 C ATOM 443 O LYS A 28 3.904 8.193 -1.561 1.00 0.00 O ATOM 444 CB LYS A 28 1.475 9.950 -2.886 1.00 0.00 C ATOM 445 CG LYS A 28 2.329 9.517 -4.085 1.00 0.00 C ATOM 446 CD LYS A 28 2.273 10.610 -5.166 1.00 0.00 C ATOM 447 CE LYS A 28 3.034 10.156 -6.418 1.00 0.00 C ATOM 448 NZ LYS A 28 4.502 10.220 -6.160 1.00 0.00 N ATOM 0 H LYS A 28 0.137 10.161 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 28 1.422 7.957 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.427 10.000 -3.182 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.766 10.952 -2.572 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.360 9.351 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.962 8.572 -4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.236 10.827 -5.421 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.707 11.533 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.745 9.139 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.775 10.792 -7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.978 9.450 -6.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.872 11.135 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.680 10.120 -5.140 1.00 0.00 H new ATOM 462 N ALA A 29 3.325 9.955 -0.274 1.00 0.00 N ATOM 463 CA ALA A 29 4.638 10.120 0.326 1.00 0.00 C ATOM 464 C ALA A 29 4.935 9.009 1.295 1.00 0.00 C ATOM 465 O ALA A 29 6.032 8.454 1.301 1.00 0.00 O ATOM 466 CB ALA A 29 4.698 11.439 1.072 1.00 0.00 C ATOM 0 H ALA A 29 2.631 10.628 0.051 1.00 0.00 H new ATOM 0 HA ALA A 29 5.377 10.101 -0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.684 11.559 1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.513 12.259 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.940 11.449 1.855 1.00 0.00 H new ATOM 472 N PHE A 30 3.942 8.683 2.111 1.00 0.00 N ATOM 473 CA PHE A 30 4.094 7.635 3.071 1.00 0.00 C ATOM 474 C PHE A 30 4.291 6.341 2.319 1.00 0.00 C ATOM 475 O PHE A 30 5.130 5.523 2.694 1.00 0.00 O ATOM 476 CB PHE A 30 2.875 7.575 3.993 1.00 0.00 C ATOM 477 CG PHE A 30 2.755 8.865 4.795 1.00 0.00 C ATOM 478 CD1 PHE A 30 3.886 9.412 5.430 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.514 9.524 4.904 1.00 0.00 C ATOM 480 CE1 PHE A 30 3.774 10.593 6.156 1.00 0.00 C ATOM 481 CE2 PHE A 30 1.416 10.704 5.637 1.00 0.00 C ATOM 482 CZ PHE A 30 2.543 11.235 6.260 1.00 0.00 C ATOM 0 H PHE A 30 3.029 9.138 2.116 1.00 0.00 H new ATOM 0 HA PHE A 30 4.960 7.818 3.707 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.972 7.420 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.964 6.725 4.670 1.00 0.00 H new ATOM 0 HD1 PHE A 30 4.841 8.914 5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.640 9.114 4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.643 11.013 6.640 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.465 11.208 5.723 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.461 12.150 6.827 1.00 0.00 H new ATOM 492 N ILE A 31 3.561 6.195 1.206 1.00 0.00 N ATOM 493 CA ILE A 31 3.719 5.024 0.377 1.00 0.00 C ATOM 494 C ILE A 31 5.100 5.040 -0.237 1.00 0.00 C ATOM 495 O ILE A 31 5.787 4.033 -0.235 1.00 0.00 O ATOM 496 CB ILE A 31 2.638 4.951 -0.719 1.00 0.00 C ATOM 497 CG1 ILE A 31 1.293 4.602 -0.058 1.00 0.00 C ATOM 498 CG2 ILE A 31 2.995 3.876 -1.780 1.00 0.00 C ATOM 499 CD1 ILE A 31 0.177 4.608 -1.102 1.00 0.00 C ATOM 0 H ILE A 31 2.870 6.868 0.874 1.00 0.00 H new ATOM 0 HA ILE A 31 3.601 4.137 0.999 1.00 0.00 H new ATOM 0 HB ILE A 31 2.575 5.915 -1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.355 3.621 0.414 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.069 5.321 0.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.216 3.844 -2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.948 4.127 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 31 3.071 2.901 -1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.770 4.360 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.107 5.597 -1.554 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.397 3.871 -1.874 1.00 0.00 H new ATOM 511 N ASP A 32 5.501 6.198 -0.742 1.00 0.00 N ATOM 512 CA ASP A 32 6.815 6.337 -1.359 1.00 0.00 C ATOM 513 C ASP A 32 7.915 5.972 -0.370 1.00 0.00 C ATOM 514 O ASP A 32 8.876 5.278 -0.709 1.00 0.00 O ATOM 515 CB ASP A 32 7.013 7.771 -1.864 1.00 0.00 C ATOM 516 CG ASP A 32 8.322 7.876 -2.646 1.00 0.00 C ATOM 517 OD1 ASP A 32 8.311 7.569 -3.826 1.00 0.00 O ATOM 518 OD2 ASP A 32 9.317 8.254 -2.050 1.00 0.00 O ATOM 0 H ASP A 32 4.941 7.050 -0.738 1.00 0.00 H new ATOM 0 HA ASP A 32 6.872 5.653 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.176 8.060 -2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.027 8.463 -1.022 1.00 0.00 H new ATOM 523 N SER A 33 7.737 6.431 0.856 1.00 0.00 N ATOM 524 CA SER A 33 8.679 6.153 1.935 1.00 0.00 C ATOM 525 C SER A 33 8.663 4.659 2.261 1.00 0.00 C ATOM 526 O SER A 33 9.700 4.051 2.517 1.00 0.00 O ATOM 527 CB SER A 33 8.289 6.975 3.161 1.00 0.00 C ATOM 528 OG SER A 33 8.392 8.358 2.851 1.00 0.00 O ATOM 0 H SER A 33 6.941 7.004 1.135 1.00 0.00 H new ATOM 0 HA SER A 33 9.688 6.428 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.271 6.734 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.940 6.729 4.000 1.00 0.00 H new ATOM 0 HG SER A 33 7.627 8.628 2.301 1.00 0.00 H new ATOM 534 N LEU A 34 7.462 4.087 2.209 1.00 0.00 N ATOM 535 CA LEU A 34 7.240 2.658 2.446 1.00 0.00 C ATOM 536 C LEU A 34 8.043 1.834 1.442 1.00 0.00 C ATOM 537 O LEU A 34 8.806 0.946 1.820 1.00 0.00 O ATOM 538 CB LEU A 34 5.744 2.400 2.254 1.00 0.00 C ATOM 539 CG LEU A 34 5.019 2.279 3.593 1.00 0.00 C ATOM 540 CD1 LEU A 34 3.735 3.108 3.587 1.00 0.00 C ATOM 541 CD2 LEU A 34 4.652 0.828 3.808 1.00 0.00 C ATOM 0 H LEU A 34 6.608 4.604 2.000 1.00 0.00 H new ATOM 0 HA LEU A 34 7.559 2.375 3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.305 3.212 1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.603 1.485 1.679 1.00 0.00 H new ATOM 0 HG LEU A 34 5.672 2.642 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.233 3.009 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.979 4.156 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.076 2.752 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.133 0.721 4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.001 0.494 3.000 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.558 0.221 3.819 1.00 0.00 H new ATOM 553 N ARG A 35 7.870 2.151 0.162 1.00 0.00 N ATOM 554 CA ARG A 35 8.600 1.442 -0.911 1.00 0.00 C ATOM 555 C ARG A 35 10.108 1.597 -0.707 1.00 0.00 C ATOM 556 O ARG A 35 10.866 0.630 -0.805 1.00 0.00 O ATOM 557 CB ARG A 35 8.270 1.995 -2.316 1.00 0.00 C ATOM 558 CG ARG A 35 7.017 2.869 -2.286 1.00 0.00 C ATOM 559 CD ARG A 35 6.532 3.204 -3.699 1.00 0.00 C ATOM 560 NE ARG A 35 5.727 2.115 -4.221 1.00 0.00 N ATOM 561 CZ ARG A 35 6.276 1.123 -4.893 1.00 0.00 C ATOM 562 NH1 ARG A 35 6.578 1.270 -6.146 1.00 0.00 N ATOM 563 NH2 ARG A 35 6.522 0.012 -4.286 1.00 0.00 N ATOM 0 H ARG A 35 7.241 2.884 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 35 8.290 0.398 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.113 2.577 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.123 1.167 -3.010 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.226 2.354 -1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.228 3.791 -1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.947 4.124 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.386 3.381 -4.353 1.00 0.00 H new ATOM 0 HE ARG A 35 4.719 2.117 -4.065 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.391 2.156 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.003 0.499 -6.662 1.00 0.00 H new ATOM 0 HH21 ARG A 35 6.292 -0.091 -3.298 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.947 -0.764 -4.794 1.00 0.00 H new ATOM 577 N ASP A 36 10.517 2.838 -0.426 1.00 0.00 N ATOM 578 CA ASP A 36 11.923 3.171 -0.209 1.00 0.00 C ATOM 579 C ASP A 36 12.460 2.454 1.018 1.00 0.00 C ATOM 580 O ASP A 36 13.620 2.037 1.054 1.00 0.00 O ATOM 581 CB ASP A 36 12.066 4.678 -0.023 1.00 0.00 C ATOM 582 CG ASP A 36 13.542 5.074 -0.011 1.00 0.00 C ATOM 583 OD1 ASP A 36 14.093 5.270 -1.082 1.00 0.00 O ATOM 584 OD2 ASP A 36 14.101 5.172 1.070 1.00 0.00 O ATOM 0 H ASP A 36 9.885 3.634 -0.343 1.00 0.00 H new ATOM 0 HA ASP A 36 12.496 2.850 -1.079 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.549 5.201 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.593 4.982 0.911 1.00 0.00 H new ATOM 589 N ASP A 37 11.596 2.321 2.016 1.00 0.00 N ATOM 590 CA ASP A 37 11.961 1.658 3.260 1.00 0.00 C ATOM 591 C ASP A 37 10.739 0.999 3.882 1.00 0.00 C ATOM 592 O ASP A 37 9.936 1.652 4.558 1.00 0.00 O ATOM 593 CB ASP A 37 12.590 2.658 4.243 1.00 0.00 C ATOM 594 CG ASP A 37 13.349 1.914 5.348 1.00 0.00 C ATOM 595 OD1 ASP A 37 12.806 0.957 5.880 1.00 0.00 O ATOM 596 OD2 ASP A 37 14.461 2.314 5.648 1.00 0.00 O ATOM 0 H ASP A 37 10.636 2.664 1.988 1.00 0.00 H new ATOM 0 HA ASP A 37 12.699 0.887 3.038 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.270 3.323 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.813 3.283 4.684 1.00 0.00 H new ATOM 601 N PRO A 38 10.580 -0.281 3.655 1.00 0.00 N ATOM 602 CA PRO A 38 9.431 -1.049 4.187 1.00 0.00 C ATOM 603 C PRO A 38 9.496 -1.287 5.691 1.00 0.00 C ATOM 604 O PRO A 38 8.465 -1.327 6.356 1.00 0.00 O ATOM 605 CB PRO A 38 9.462 -2.367 3.423 1.00 0.00 C ATOM 606 CG PRO A 38 10.611 -2.317 2.470 1.00 0.00 C ATOM 607 CD PRO A 38 11.480 -1.134 2.864 1.00 0.00 C ATOM 0 HA PRO A 38 8.504 -0.493 4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.573 -3.205 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.526 -2.519 2.885 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.183 -3.244 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 38 10.255 -2.207 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.345 -1.450 3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.861 -0.609 1.988 1.00 0.00 H new ATOM 615 N SER A 39 10.702 -1.433 6.229 1.00 0.00 N ATOM 616 CA SER A 39 10.851 -1.643 7.668 1.00 0.00 C ATOM 617 C SER A 39 10.372 -0.390 8.396 1.00 0.00 C ATOM 618 O SER A 39 9.965 -0.438 9.558 1.00 0.00 O ATOM 619 CB SER A 39 12.311 -1.946 8.027 1.00 0.00 C ATOM 620 OG SER A 39 13.091 -0.761 7.930 1.00 0.00 O ATOM 0 H SER A 39 11.576 -1.411 5.704 1.00 0.00 H new ATOM 0 HA SER A 39 10.252 -2.501 7.974 1.00 0.00 H new ATOM 0 HB2 SER A 39 12.370 -2.348 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.708 -2.709 7.357 1.00 0.00 H new ATOM 0 HG SER A 39 13.037 -0.407 7.018 1.00 0.00 H new ATOM 626 N GLN A 40 10.420 0.729 7.669 1.00 0.00 N ATOM 627 CA GLN A 40 9.993 2.019 8.188 1.00 0.00 C ATOM 628 C GLN A 40 8.485 2.221 7.978 1.00 0.00 C ATOM 629 O GLN A 40 7.937 3.235 8.373 1.00 0.00 O ATOM 630 CB GLN A 40 10.767 3.129 7.451 1.00 0.00 C ATOM 631 CG GLN A 40 10.889 4.386 8.321 1.00 0.00 C ATOM 632 CD GLN A 40 11.959 4.182 9.391 1.00 0.00 C ATOM 633 OE1 GLN A 40 11.604 3.882 10.607 1.00 0.00 O flip ATOM 634 NE2 GLN A 40 13.152 4.288 9.105 1.00 0.00 N flip ATOM 0 H GLN A 40 10.756 0.760 6.707 1.00 0.00 H new ATOM 0 HA GLN A 40 10.198 2.058 9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.761 2.769 7.185 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.257 3.375 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.144 5.244 7.700 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.931 4.607 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 40 13.429 4.523 8.152 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.863 4.141 9.821 1.00 0.00 H new ATOM 643 N SER A 41 7.829 1.258 7.331 1.00 0.00 N ATOM 644 CA SER A 41 6.394 1.354 7.022 1.00 0.00 C ATOM 645 C SER A 41 5.540 1.728 8.234 1.00 0.00 C ATOM 646 O SER A 41 4.602 2.519 8.114 1.00 0.00 O ATOM 647 CB SER A 41 5.914 -0.002 6.509 1.00 0.00 C ATOM 648 OG SER A 41 6.033 -0.972 7.543 1.00 0.00 O ATOM 0 H SER A 41 8.268 0.396 7.007 1.00 0.00 H new ATOM 0 HA SER A 41 6.280 2.143 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.877 0.068 6.180 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.503 -0.304 5.643 1.00 0.00 H new ATOM 0 HG SER A 41 6.898 -1.426 7.467 1.00 0.00 H new ATOM 654 N ALA A 42 5.869 1.166 9.387 1.00 0.00 N ATOM 655 CA ALA A 42 5.132 1.447 10.613 1.00 0.00 C ATOM 656 C ALA A 42 5.306 2.901 10.999 1.00 0.00 C ATOM 657 O ALA A 42 4.395 3.541 11.520 1.00 0.00 O ATOM 658 CB ALA A 42 5.690 0.585 11.734 1.00 0.00 C ATOM 0 H ALA A 42 6.643 0.511 9.501 1.00 0.00 H new ATOM 0 HA ALA A 42 4.076 1.233 10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.145 0.789 12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.581 -0.468 11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.746 0.815 11.879 1.00 0.00 H new ATOM 664 N ASN A 43 6.505 3.390 10.736 1.00 0.00 N ATOM 665 CA ASN A 43 6.878 4.753 11.037 1.00 0.00 C ATOM 666 C ASN A 43 6.152 5.731 10.129 1.00 0.00 C ATOM 667 O ASN A 43 5.813 6.837 10.521 1.00 0.00 O ATOM 668 CB ASN A 43 8.379 4.883 10.827 1.00 0.00 C ATOM 669 CG ASN A 43 9.100 4.971 12.169 1.00 0.00 C ATOM 670 OD1 ASN A 43 9.588 3.890 12.710 1.00 0.00 O flip ATOM 671 ND2 ASN A 43 9.216 6.053 12.743 1.00 0.00 N flip ATOM 0 H ASN A 43 7.251 2.844 10.304 1.00 0.00 H new ATOM 0 HA ASN A 43 6.605 4.986 12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.749 4.026 10.264 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.594 5.771 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.834 6.899 12.319 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.694 6.104 13.643 1.00 0.00 H new ATOM 678 N LEU A 44 5.943 5.292 8.909 1.00 0.00 N ATOM 679 CA LEU A 44 5.278 6.078 7.886 1.00 0.00 C ATOM 680 C LEU A 44 3.825 6.121 8.193 1.00 0.00 C ATOM 681 O LEU A 44 3.177 7.155 8.097 1.00 0.00 O ATOM 682 CB LEU A 44 5.583 5.416 6.554 1.00 0.00 C ATOM 683 CG LEU A 44 7.106 5.373 6.471 1.00 0.00 C ATOM 684 CD1 LEU A 44 7.580 4.430 5.388 1.00 0.00 C ATOM 685 CD2 LEU A 44 7.602 6.783 6.250 1.00 0.00 C ATOM 0 H LEU A 44 6.233 4.367 8.591 1.00 0.00 H new ATOM 0 HA LEU A 44 5.625 7.111 7.849 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.157 4.414 6.505 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.159 5.983 5.726 1.00 0.00 H new ATOM 0 HG LEU A 44 7.517 4.984 7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.670 4.427 5.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.219 3.423 5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.193 4.760 4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.690 6.780 6.187 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.186 7.174 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.288 7.414 7.082 1.00 0.00 H new ATOM 697 N LEU A 45 3.368 4.989 8.658 1.00 0.00 N ATOM 698 CA LEU A 45 2.006 4.845 9.116 1.00 0.00 C ATOM 699 C LEU A 45 1.842 5.750 10.330 1.00 0.00 C ATOM 700 O LEU A 45 0.820 6.404 10.514 1.00 0.00 O ATOM 701 CB LEU A 45 1.749 3.377 9.478 1.00 0.00 C ATOM 702 CG LEU A 45 0.487 3.237 10.337 1.00 0.00 C ATOM 703 CD1 LEU A 45 -0.725 3.822 9.601 1.00 0.00 C ATOM 704 CD2 LEU A 45 0.258 1.755 10.633 1.00 0.00 C ATOM 0 H LEU A 45 3.927 4.139 8.731 1.00 0.00 H new ATOM 0 HA LEU A 45 1.288 5.128 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.641 2.788 8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.607 2.976 10.017 1.00 0.00 H new ATOM 0 HG LEU A 45 0.616 3.785 11.270 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.614 3.716 10.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.550 4.878 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.873 3.288 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.637 1.640 11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.130 1.212 9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.118 1.354 11.170 1.00 0.00 H new ATOM 716 N ALA A 46 2.903 5.792 11.125 1.00 0.00 N ATOM 717 CA ALA A 46 2.950 6.622 12.315 1.00 0.00 C ATOM 718 C ALA A 46 2.899 8.079 11.922 1.00 0.00 C ATOM 719 O ALA A 46 2.146 8.875 12.484 1.00 0.00 O ATOM 720 CB ALA A 46 4.256 6.377 13.069 1.00 0.00 C ATOM 0 H ALA A 46 3.752 5.252 10.961 1.00 0.00 H new ATOM 0 HA ALA A 46 2.099 6.371 12.948 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.284 7.003 13.961 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.317 5.328 13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.100 6.624 12.425 1.00 0.00 H new ATOM 726 N GLU A 47 3.707 8.394 10.923 1.00 0.00 N ATOM 727 CA GLU A 47 3.788 9.724 10.386 1.00 0.00 C ATOM 728 C GLU A 47 2.456 10.111 9.805 1.00 0.00 C ATOM 729 O GLU A 47 2.023 11.246 9.909 1.00 0.00 O ATOM 730 CB GLU A 47 4.816 9.731 9.267 1.00 0.00 C ATOM 731 CG GLU A 47 6.239 9.854 9.798 1.00 0.00 C ATOM 732 CD GLU A 47 6.393 11.099 10.678 1.00 0.00 C ATOM 733 OE1 GLU A 47 6.082 12.183 10.205 1.00 0.00 O ATOM 734 OE2 GLU A 47 6.812 10.949 11.815 1.00 0.00 O ATOM 0 H GLU A 47 4.325 7.724 10.466 1.00 0.00 H new ATOM 0 HA GLU A 47 4.068 10.423 11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.724 8.814 8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.609 10.560 8.590 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.494 8.964 10.374 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.939 9.905 8.964 1.00 0.00 H new ATOM 741 N ALA A 48 1.821 9.135 9.189 1.00 0.00 N ATOM 742 CA ALA A 48 0.543 9.338 8.578 1.00 0.00 C ATOM 743 C ALA A 48 -0.489 9.618 9.639 1.00 0.00 C ATOM 744 O ALA A 48 -1.234 10.582 9.537 1.00 0.00 O ATOM 745 CB ALA A 48 0.188 8.089 7.803 1.00 0.00 C ATOM 0 H ALA A 48 2.183 8.185 9.103 1.00 0.00 H new ATOM 0 HA ALA A 48 0.572 10.192 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.784 8.220 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.944 7.907 7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.148 7.238 8.483 1.00 0.00 H new ATOM 751 N LYS A 49 -0.497 8.791 10.680 1.00 0.00 N ATOM 752 CA LYS A 49 -1.419 8.998 11.779 1.00 0.00 C ATOM 753 C LYS A 49 -1.156 10.365 12.374 1.00 0.00 C ATOM 754 O LYS A 49 -2.074 11.033 12.829 1.00 0.00 O ATOM 755 CB LYS A 49 -1.252 7.914 12.851 1.00 0.00 C ATOM 756 CG LYS A 49 -1.817 6.581 12.340 1.00 0.00 C ATOM 757 CD LYS A 49 -1.724 5.522 13.447 1.00 0.00 C ATOM 758 CE LYS A 49 -2.199 4.168 12.911 1.00 0.00 C ATOM 759 NZ LYS A 49 -2.416 3.231 14.048 1.00 0.00 N ATOM 0 H LYS A 49 0.118 7.983 10.781 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.442 8.939 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.198 7.799 13.103 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.768 8.211 13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.855 6.709 12.032 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.262 6.252 11.461 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.696 5.443 13.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.334 5.820 14.300 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.123 4.292 12.347 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.459 3.757 12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.738 2.312 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.524 3.104 14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.137 3.622 14.687 1.00 0.00 H new ATOM 773 N LYS A 50 0.113 10.788 12.336 1.00 0.00 N ATOM 774 CA LYS A 50 0.487 12.078 12.851 1.00 0.00 C ATOM 775 C LYS A 50 0.013 13.176 11.922 1.00 0.00 C ATOM 776 O LYS A 50 -0.479 14.212 12.368 1.00 0.00 O ATOM 777 CB LYS A 50 2.001 12.124 13.023 1.00 0.00 C ATOM 778 CG LYS A 50 2.420 13.414 13.731 1.00 0.00 C ATOM 779 CD LYS A 50 3.898 13.312 14.110 1.00 0.00 C ATOM 780 CE LYS A 50 4.763 13.204 12.849 1.00 0.00 C ATOM 781 NZ LYS A 50 4.508 14.367 11.952 1.00 0.00 N ATOM 0 H LYS A 50 0.886 10.245 11.951 1.00 0.00 H new ATOM 0 HA LYS A 50 0.013 12.238 13.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.334 11.261 13.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.486 12.063 12.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.256 14.272 13.079 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.812 13.570 14.622 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.194 14.187 14.688 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.059 12.441 14.745 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.817 13.171 13.124 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.541 12.275 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.203 14.367 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.549 14.296 11.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.594 15.250 12.495 1.00 0.00 H new ATOM 795 N LEU A 51 0.159 12.930 10.628 1.00 0.00 N ATOM 796 CA LEU A 51 -0.261 13.890 9.628 1.00 0.00 C ATOM 797 C LEU A 51 -1.775 13.971 9.601 1.00 0.00 C ATOM 798 O LEU A 51 -2.351 15.053 9.510 1.00 0.00 O ATOM 799 CB LEU A 51 0.280 13.508 8.243 1.00 0.00 C ATOM 800 CG LEU A 51 1.595 14.243 7.945 1.00 0.00 C ATOM 801 CD1 LEU A 51 1.402 15.758 8.089 1.00 0.00 C ATOM 802 CD2 LEU A 51 2.705 13.767 8.897 1.00 0.00 C ATOM 0 H LEU A 51 0.565 12.074 10.250 1.00 0.00 H new ATOM 0 HA LEU A 51 0.145 14.867 9.889 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.442 12.431 8.196 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.459 13.753 7.480 1.00 0.00 H new ATOM 0 HG LEU A 51 1.889 14.018 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.342 16.267 7.875 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.639 16.096 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.088 15.990 9.107 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.630 14.298 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.412 13.969 9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.861 12.696 8.768 1.00 0.00 H new ATOM 814 N ASN A 52 -2.404 12.807 9.706 1.00 0.00 N ATOM 815 CA ASN A 52 -3.850 12.719 9.724 1.00 0.00 C ATOM 816 C ASN A 52 -4.368 13.403 10.970 1.00 0.00 C ATOM 817 O ASN A 52 -5.302 14.197 10.912 1.00 0.00 O ATOM 818 CB ASN A 52 -4.279 11.246 9.723 1.00 0.00 C ATOM 819 CG ASN A 52 -5.673 11.077 10.321 1.00 0.00 C ATOM 820 OD1 ASN A 52 -6.658 11.474 9.712 1.00 0.00 O ATOM 821 ND2 ASN A 52 -5.809 10.506 11.484 1.00 0.00 N ATOM 0 H ASN A 52 -1.927 11.908 9.780 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.260 13.207 8.840 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -4.269 10.862 8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.562 10.655 10.293 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.738 10.389 11.889 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.987 10.176 11.989 1.00 0.00 H new ATOM 828 N ASP A 53 -3.732 13.092 12.097 1.00 0.00 N ATOM 829 CA ASP A 53 -4.122 13.689 13.363 1.00 0.00 C ATOM 830 C ASP A 53 -3.913 15.195 13.315 1.00 0.00 C ATOM 831 O ASP A 53 -4.743 15.965 13.802 1.00 0.00 O ATOM 832 CB ASP A 53 -3.325 13.083 14.527 1.00 0.00 C ATOM 833 CG ASP A 53 -3.758 11.634 14.817 1.00 0.00 C ATOM 834 OD1 ASP A 53 -4.744 11.181 14.250 1.00 0.00 O ATOM 835 OD2 ASP A 53 -3.088 10.996 15.611 1.00 0.00 O ATOM 0 H ASP A 53 -2.953 12.436 12.156 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.179 13.478 13.528 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.261 13.105 14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.466 13.691 15.421 1.00 0.00 H new ATOM 840 N ALA A 54 -2.804 15.599 12.699 1.00 0.00 N ATOM 841 CA ALA A 54 -2.480 17.006 12.553 1.00 0.00 C ATOM 842 C ALA A 54 -3.511 17.678 11.651 1.00 0.00 C ATOM 843 O ALA A 54 -3.918 18.815 11.892 1.00 0.00 O ATOM 844 CB ALA A 54 -1.084 17.151 11.947 1.00 0.00 C ATOM 0 H ALA A 54 -2.116 14.965 12.293 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.496 17.485 13.532 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.843 18.208 11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.352 16.677 12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.060 16.671 10.969 1.00 0.00 H new ATOM 850 N GLN A 55 -3.929 16.947 10.615 1.00 0.00 N ATOM 851 CA GLN A 55 -4.920 17.448 9.668 1.00 0.00 C ATOM 852 C GLN A 55 -6.344 17.195 10.173 1.00 0.00 C ATOM 853 O GLN A 55 -7.317 17.614 9.543 1.00 0.00 O ATOM 854 CB GLN A 55 -4.708 16.761 8.322 1.00 0.00 C ATOM 855 CG GLN A 55 -3.449 17.327 7.657 1.00 0.00 C ATOM 856 CD GLN A 55 -3.090 16.485 6.445 1.00 0.00 C ATOM 857 OE1 GLN A 55 -2.547 15.320 6.631 1.00 0.00 O flip ATOM 858 NE2 GLN A 55 -3.315 16.893 5.307 1.00 0.00 N flip ATOM 0 H GLN A 55 -3.594 16.005 10.413 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.795 18.525 9.560 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.607 15.685 8.462 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.575 16.919 7.680 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.618 18.361 7.357 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.622 17.332 8.367 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.742 17.809 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.075 16.315 4.501 1.00 0.00 H new ATOM 867 N ALA A 56 -6.454 16.511 11.314 1.00 0.00 N ATOM 868 CA ALA A 56 -7.758 16.205 11.904 1.00 0.00 C ATOM 869 C ALA A 56 -8.294 17.407 12.668 1.00 0.00 C ATOM 870 O ALA A 56 -7.555 18.351 12.958 1.00 0.00 O ATOM 871 CB ALA A 56 -7.651 15.001 12.847 1.00 0.00 C ATOM 0 H ALA A 56 -5.658 16.160 11.846 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.447 15.963 11.095 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.630 14.787 13.277 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.302 14.132 12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.945 15.226 13.646 1.00 0.00 H new ATOM 877 N PRO A 57 -9.567 17.392 12.991 1.00 0.00 N ATOM 878 CA PRO A 57 -10.239 18.495 13.726 1.00 0.00 C ATOM 879 C PRO A 57 -10.009 18.397 15.232 1.00 0.00 C ATOM 880 O PRO A 57 -10.871 18.754 16.040 1.00 0.00 O ATOM 881 CB PRO A 57 -11.722 18.310 13.348 1.00 0.00 C ATOM 882 CG PRO A 57 -11.787 17.129 12.434 1.00 0.00 C ATOM 883 CD PRO A 57 -10.535 16.332 12.706 1.00 0.00 C ATOM 0 HA PRO A 57 -9.857 19.481 13.463 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.331 18.145 14.237 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.110 19.202 12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.680 16.534 12.627 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.832 17.443 11.391 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.657 15.652 13.549 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.240 15.727 11.848 1.00 0.00 H new ATOM 891 N LYS A 58 -8.827 17.914 15.585 1.00 0.00 N ATOM 892 CA LYS A 58 -8.432 17.753 16.982 1.00 0.00 C ATOM 893 C LYS A 58 -7.651 18.976 17.468 1.00 0.00 C ATOM 894 O LYS A 58 -7.921 19.429 18.568 1.00 0.00 O ATOM 895 CB LYS A 58 -7.576 16.501 17.141 1.00 0.00 C ATOM 896 CG LYS A 58 -8.391 15.256 16.752 1.00 0.00 C ATOM 897 CD LYS A 58 -7.651 13.981 17.184 1.00 0.00 C ATOM 898 CE LYS A 58 -6.384 13.786 16.340 1.00 0.00 C ATOM 899 NZ LYS A 58 -5.700 12.530 16.762 1.00 0.00 N ATOM 900 OXT LYS A 58 -6.794 19.440 16.732 1.00 0.00 O ATOM 0 H LYS A 58 -8.115 17.623 14.916 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.335 17.653 17.584 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.688 16.575 16.514 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.232 16.414 18.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.373 15.293 17.224 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.556 15.242 15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.386 14.046 18.239 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.306 13.117 17.073 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.642 13.736 15.282 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.715 14.638 16.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.701 12.732 16.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.162 12.152 17.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.759 11.829 15.996 1.00 0.00 H new TER 914 LYS A 58 ATOM 915 N VAL B 1 -15.773 -4.360 -3.816 1.00 0.00 N ATOM 916 CA VAL B 1 -15.647 -3.286 -2.788 1.00 0.00 C ATOM 917 C VAL B 1 -15.065 -3.877 -1.500 1.00 0.00 C ATOM 918 O VAL B 1 -14.224 -3.252 -0.850 1.00 0.00 O ATOM 919 CB VAL B 1 -17.030 -2.653 -2.532 1.00 0.00 C ATOM 920 CG1 VAL B 1 -17.996 -3.683 -1.922 1.00 0.00 C ATOM 921 CG2 VAL B 1 -16.885 -1.460 -1.574 1.00 0.00 C ATOM 0 H1 VAL B 1 -15.314 -4.053 -4.697 1.00 0.00 H new ATOM 0 H2 VAL B 1 -15.314 -5.227 -3.470 1.00 0.00 H new ATOM 0 H3 VAL B 1 -16.779 -4.550 -3.998 1.00 0.00 H new ATOM 0 HA VAL B 1 -14.973 -2.507 -3.144 1.00 0.00 H new ATOM 0 HB VAL B 1 -17.435 -2.314 -3.485 1.00 0.00 H new ATOM 0 HG11 VAL B 1 -18.965 -3.215 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL B 1 -18.115 -4.522 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL B 1 -17.593 -4.043 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL B 1 -17.864 -1.015 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL B 1 -16.464 -1.802 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL B 1 -16.224 -0.715 -2.018 1.00 0.00 H new ATOM 933 N ASP B 2 -15.518 -5.081 -1.145 1.00 0.00 N ATOM 934 CA ASP B 2 -15.043 -5.758 0.061 1.00 0.00 C ATOM 935 C ASP B 2 -14.971 -7.268 -0.166 1.00 0.00 C ATOM 936 O ASP B 2 -15.714 -7.819 -0.981 1.00 0.00 O ATOM 937 CB ASP B 2 -15.976 -5.458 1.239 1.00 0.00 C ATOM 938 CG ASP B 2 -15.372 -6.005 2.534 1.00 0.00 C ATOM 939 OD1 ASP B 2 -14.547 -5.319 3.117 1.00 0.00 O ATOM 940 OD2 ASP B 2 -15.731 -7.107 2.916 1.00 0.00 O ATOM 0 H ASP B 2 -16.213 -5.606 -1.676 1.00 0.00 H new ATOM 0 HA ASP B 2 -14.044 -5.387 0.291 1.00 0.00 H new ATOM 0 HB2 ASP B 2 -16.132 -4.383 1.326 1.00 0.00 H new ATOM 0 HB3 ASP B 2 -16.953 -5.909 1.064 1.00 0.00 H new ATOM 945 N ASN B 3 -14.069 -7.926 0.566 1.00 0.00 N ATOM 946 CA ASN B 3 -13.895 -9.367 0.456 1.00 0.00 C ATOM 947 C ASN B 3 -13.130 -9.909 1.665 1.00 0.00 C ATOM 948 O ASN B 3 -12.468 -9.155 2.383 1.00 0.00 O ATOM 949 CB ASN B 3 -13.136 -9.713 -0.833 1.00 0.00 C ATOM 950 CG ASN B 3 -13.380 -11.170 -1.215 1.00 0.00 C ATOM 951 OD1 ASN B 3 -12.488 -12.003 -1.086 1.00 0.00 O ATOM 952 ND2 ASN B 3 -14.545 -11.527 -1.679 1.00 0.00 N ATOM 0 H ASN B 3 -13.449 -7.478 1.241 1.00 0.00 H new ATOM 0 HA ASN B 3 -14.881 -9.830 0.426 1.00 0.00 H new ATOM 0 HB2 ASN B 3 -13.461 -9.058 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN B 3 -12.069 -9.540 -0.693 1.00 0.00 H new ATOM 0 HD21 ASN B 3 -14.716 -12.499 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -15.286 -10.834 -1.786 1.00 0.00 H new ATOM 959 N LYS B 4 -13.222 -11.224 1.869 1.00 0.00 N ATOM 960 CA LYS B 4 -12.536 -11.887 2.983 1.00 0.00 C ATOM 961 C LYS B 4 -11.018 -11.803 2.812 1.00 0.00 C ATOM 962 O LYS B 4 -10.261 -12.003 3.764 1.00 0.00 O ATOM 963 CB LYS B 4 -12.985 -13.352 3.060 1.00 0.00 C ATOM 964 CG LYS B 4 -12.477 -14.119 1.834 1.00 0.00 C ATOM 965 CD LYS B 4 -13.081 -15.521 1.814 1.00 0.00 C ATOM 966 CE LYS B 4 -14.555 -15.437 1.414 1.00 0.00 C ATOM 967 NZ LYS B 4 -15.044 -16.789 1.020 1.00 0.00 N ATOM 0 H LYS B 4 -13.765 -11.853 1.278 1.00 0.00 H new ATOM 0 HA LYS B 4 -12.798 -11.380 3.912 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -12.602 -13.811 3.971 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -14.073 -13.406 3.109 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -12.745 -13.585 0.923 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -11.389 -14.182 1.858 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -12.538 -16.152 1.111 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -12.986 -15.983 2.796 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -15.147 -15.053 2.245 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -14.678 -14.739 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -16.046 -16.730 0.748 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -14.487 -17.139 0.214 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -14.941 -17.443 1.822 1.00 0.00 H new ATOM 981 N PHE B 5 -10.595 -11.517 1.583 1.00 0.00 N ATOM 982 CA PHE B 5 -9.188 -11.406 1.231 1.00 0.00 C ATOM 983 C PHE B 5 -8.507 -10.208 1.896 1.00 0.00 C ATOM 984 O PHE B 5 -7.487 -9.761 1.415 1.00 0.00 O ATOM 985 CB PHE B 5 -9.064 -11.292 -0.301 1.00 0.00 C ATOM 986 CG PHE B 5 -9.083 -12.669 -0.918 1.00 0.00 C ATOM 987 CD1 PHE B 5 -10.081 -13.577 -0.555 1.00 0.00 C ATOM 988 CD2 PHE B 5 -8.105 -13.036 -1.849 1.00 0.00 C ATOM 989 CE1 PHE B 5 -10.105 -14.854 -1.121 1.00 0.00 C ATOM 990 CE2 PHE B 5 -8.129 -14.314 -2.417 1.00 0.00 C ATOM 991 CZ PHE B 5 -9.129 -15.223 -2.053 1.00 0.00 C ATOM 0 H PHE B 5 -11.227 -11.355 0.799 1.00 0.00 H new ATOM 0 HA PHE B 5 -8.682 -12.300 1.595 1.00 0.00 H new ATOM 0 HB2 PHE B 5 -9.884 -10.694 -0.698 1.00 0.00 H new ATOM 0 HB3 PHE B 5 -8.139 -10.778 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE B 5 -10.835 -13.291 0.164 1.00 0.00 H new ATOM 0 HD2 PHE B 5 -7.333 -12.334 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE B 5 -10.876 -15.556 -0.839 1.00 0.00 H new ATOM 0 HE2 PHE B 5 -7.376 -14.599 -3.137 1.00 0.00 H new ATOM 0 HZ PHE B 5 -9.147 -16.210 -2.492 1.00 0.00 H new ATOM 1001 N ASN B 6 -9.049 -9.694 3.002 1.00 0.00 N ATOM 1002 CA ASN B 6 -8.410 -8.560 3.686 1.00 0.00 C ATOM 1003 C ASN B 6 -6.992 -8.945 4.099 1.00 0.00 C ATOM 1004 O ASN B 6 -6.048 -8.191 3.868 1.00 0.00 O ATOM 1005 CB ASN B 6 -9.226 -8.146 4.917 1.00 0.00 C ATOM 1006 CG ASN B 6 -8.751 -6.784 5.426 1.00 0.00 C ATOM 1007 OD1 ASN B 6 -9.532 -5.835 5.485 1.00 0.00 O ATOM 1008 ND2 ASN B 6 -7.507 -6.630 5.788 1.00 0.00 N ATOM 0 H ASN B 6 -9.907 -10.032 3.437 1.00 0.00 H new ATOM 0 HA ASN B 6 -8.368 -7.712 3.002 1.00 0.00 H new ATOM 0 HB2 ASN B 6 -10.285 -8.099 4.663 1.00 0.00 H new ATOM 0 HB3 ASN B 6 -9.120 -8.894 5.702 1.00 0.00 H new ATOM 0 HD21 ASN B 6 -7.181 -5.722 6.120 1.00 0.00 H new ATOM 0 HD22 ASN B 6 -6.860 -7.417 5.739 1.00 0.00 H new ATOM 1015 N LYS B 7 -6.849 -10.140 4.669 1.00 0.00 N ATOM 1016 CA LYS B 7 -5.534 -10.642 5.070 1.00 0.00 C ATOM 1017 C LYS B 7 -4.647 -10.751 3.831 1.00 0.00 C ATOM 1018 O LYS B 7 -3.471 -10.381 3.846 1.00 0.00 O ATOM 1019 CB LYS B 7 -5.694 -12.023 5.724 1.00 0.00 C ATOM 1020 CG LYS B 7 -4.332 -12.544 6.211 1.00 0.00 C ATOM 1021 CD LYS B 7 -4.507 -13.897 6.918 1.00 0.00 C ATOM 1022 CE LYS B 7 -4.692 -15.020 5.886 1.00 0.00 C ATOM 1023 NZ LYS B 7 -3.384 -15.320 5.235 1.00 0.00 N ATOM 0 H LYS B 7 -7.622 -10.776 4.863 1.00 0.00 H new ATOM 0 HA LYS B 7 -5.075 -9.960 5.786 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -6.387 -11.958 6.563 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -6.125 -12.724 5.009 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -3.652 -12.652 5.366 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.881 -11.824 6.894 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -3.636 -14.105 7.539 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -5.371 -13.859 7.582 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -5.081 -15.914 6.372 1.00 0.00 H new ATOM 0 HE3 LYS B 7 -5.424 -14.721 5.135 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 -3.451 -15.125 4.216 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 -2.643 -14.723 5.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 -3.145 -16.322 5.380 1.00 0.00 H new ATOM 1037 N GLU B 8 -5.255 -11.262 2.765 1.00 0.00 N ATOM 1038 CA GLU B 8 -4.590 -11.446 1.481 1.00 0.00 C ATOM 1039 C GLU B 8 -4.320 -10.101 0.800 1.00 0.00 C ATOM 1040 O GLU B 8 -3.331 -9.942 0.079 1.00 0.00 O ATOM 1041 CB GLU B 8 -5.498 -12.310 0.585 1.00 0.00 C ATOM 1042 CG GLU B 8 -5.644 -13.717 1.188 1.00 0.00 C ATOM 1043 CD GLU B 8 -4.272 -14.353 1.433 1.00 0.00 C ATOM 1044 OE1 GLU B 8 -3.524 -14.494 0.479 1.00 0.00 O ATOM 1045 OE2 GLU B 8 -3.987 -14.674 2.575 1.00 0.00 O ATOM 0 H GLU B 8 -6.230 -11.562 2.769 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.630 -11.936 1.642 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -6.478 -11.843 0.488 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -5.076 -12.377 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -6.195 -13.659 2.127 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -6.226 -14.347 0.515 1.00 0.00 H new ATOM 1052 N ARG B 9 -5.227 -9.154 1.019 1.00 0.00 N ATOM 1053 CA ARG B 9 -5.138 -7.833 0.423 1.00 0.00 C ATOM 1054 C ARG B 9 -3.891 -7.095 0.896 1.00 0.00 C ATOM 1055 O ARG B 9 -3.159 -6.544 0.082 1.00 0.00 O ATOM 1056 CB ARG B 9 -6.382 -7.016 0.797 1.00 0.00 C ATOM 1057 CG ARG B 9 -6.246 -5.588 0.256 1.00 0.00 C ATOM 1058 CD ARG B 9 -7.502 -4.782 0.580 1.00 0.00 C ATOM 1059 NE ARG B 9 -7.675 -4.658 2.028 1.00 0.00 N ATOM 1060 CZ ARG B 9 -8.879 -4.713 2.587 1.00 0.00 C ATOM 1061 NH1 ARG B 9 -9.665 -5.727 2.353 1.00 0.00 N ATOM 1062 NH2 ARG B 9 -9.277 -3.753 3.372 1.00 0.00 N ATOM 0 H ARG B 9 -6.044 -9.285 1.616 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.078 -7.953 -0.659 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.275 -7.487 0.386 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -6.502 -6.995 1.880 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -5.372 -5.106 0.695 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -6.089 -5.613 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -7.431 -3.791 0.131 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -8.375 -5.268 0.144 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.855 -4.527 2.620 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -9.356 -6.481 1.739 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -10.589 -5.766 2.784 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -8.664 -2.959 3.558 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -10.201 -3.795 3.801 1.00 0.00 H new ATOM 1076 N VAL B 10 -3.652 -7.083 2.216 1.00 0.00 N ATOM 1077 CA VAL B 10 -2.482 -6.385 2.746 1.00 0.00 C ATOM 1078 C VAL B 10 -1.213 -6.980 2.154 1.00 0.00 C ATOM 1079 O VAL B 10 -0.277 -6.254 1.849 1.00 0.00 O ATOM 1080 CB VAL B 10 -2.446 -6.308 4.304 1.00 0.00 C ATOM 1081 CG1 VAL B 10 -3.804 -6.676 4.934 1.00 0.00 C ATOM 1082 CG2 VAL B 10 -1.353 -7.194 4.894 1.00 0.00 C ATOM 0 H VAL B 10 -4.239 -7.537 2.916 1.00 0.00 H new ATOM 0 HA VAL B 10 -2.554 -5.344 2.432 1.00 0.00 H new ATOM 0 HB VAL B 10 -2.222 -5.269 4.547 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -3.732 -6.609 6.020 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -4.569 -5.986 4.578 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -4.073 -7.694 4.651 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -1.364 -7.110 5.981 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -1.531 -8.231 4.608 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -0.382 -6.875 4.515 1.00 0.00 H new ATOM 1092 N ILE B 11 -1.197 -8.295 1.957 1.00 0.00 N ATOM 1093 CA ILE B 11 -0.034 -8.935 1.357 1.00 0.00 C ATOM 1094 C ILE B 11 0.161 -8.379 -0.055 1.00 0.00 C ATOM 1095 O ILE B 11 1.293 -8.142 -0.481 1.00 0.00 O ATOM 1096 CB ILE B 11 -0.201 -10.463 1.304 1.00 0.00 C ATOM 1097 CG1 ILE B 11 -0.509 -11.015 2.717 1.00 0.00 C ATOM 1098 CG2 ILE B 11 1.094 -11.090 0.774 1.00 0.00 C ATOM 1099 CD1 ILE B 11 0.731 -11.703 3.334 1.00 0.00 C ATOM 0 H ILE B 11 -1.960 -8.927 2.199 1.00 0.00 H new ATOM 0 HA ILE B 11 0.842 -8.721 1.970 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.030 -10.714 0.642 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -0.836 -10.201 3.364 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.332 -11.727 2.660 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.984 -12.174 0.733 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.300 -10.709 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.920 -10.834 1.437 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.482 -12.080 4.326 1.00 0.00 H new ATOM 0 HD12 ILE B 11 1.041 -12.532 2.698 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.545 -10.982 3.413 1.00 0.00 H new ATOM 1111 N ALA B 12 -0.958 -8.153 -0.771 1.00 0.00 N ATOM 1112 CA ALA B 12 -0.895 -7.609 -2.113 1.00 0.00 C ATOM 1113 C ALA B 12 -0.442 -6.182 -2.070 1.00 0.00 C ATOM 1114 O ALA B 12 0.435 -5.807 -2.834 1.00 0.00 O ATOM 1115 CB ALA B 12 -2.255 -7.712 -2.804 1.00 0.00 C ATOM 0 H ALA B 12 -1.902 -8.342 -0.433 1.00 0.00 H new ATOM 0 HA ALA B 12 -0.175 -8.192 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA B 12 -2.184 -7.298 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA B 12 -2.555 -8.758 -2.863 1.00 0.00 H new ATOM 0 HB3 ALA B 12 -2.997 -7.153 -2.233 1.00 0.00 H new ATOM 1121 N ILE B 13 -0.990 -5.409 -1.136 1.00 0.00 N ATOM 1122 CA ILE B 13 -0.568 -4.027 -0.986 1.00 0.00 C ATOM 1123 C ILE B 13 0.924 -4.080 -0.753 1.00 0.00 C ATOM 1124 O ILE B 13 1.686 -3.366 -1.376 1.00 0.00 O ATOM 1125 CB ILE B 13 -1.310 -3.384 0.205 1.00 0.00 C ATOM 1126 CG1 ILE B 13 -2.805 -3.427 -0.075 1.00 0.00 C ATOM 1127 CG2 ILE B 13 -0.920 -1.914 0.381 1.00 0.00 C ATOM 1128 CD1 ILE B 13 -3.592 -3.102 1.186 1.00 0.00 C ATOM 0 H ILE B 13 -1.714 -5.712 -0.484 1.00 0.00 H new ATOM 0 HA ILE B 13 -0.798 -3.420 -1.862 1.00 0.00 H new ATOM 0 HB ILE B 13 -1.045 -3.937 1.106 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -3.055 -2.714 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -3.084 -4.415 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -1.461 -1.493 1.228 1.00 0.00 H new ATOM 0 HG22 ILE B 13 0.152 -1.841 0.563 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -1.173 -1.360 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -4.659 -3.137 0.968 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.356 -3.832 1.961 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -3.326 -2.104 1.534 1.00 0.00 H new ATOM 1140 N GLY B 14 1.326 -5.022 0.086 1.00 0.00 N ATOM 1141 CA GLY B 14 2.732 -5.251 0.363 1.00 0.00 C ATOM 1142 C GLY B 14 3.506 -5.527 -0.921 1.00 0.00 C ATOM 1143 O GLY B 14 4.608 -5.018 -1.099 1.00 0.00 O ATOM 0 H GLY B 14 0.692 -5.643 0.589 1.00 0.00 H new ATOM 0 HA2 GLY B 14 3.153 -4.380 0.865 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.839 -6.095 1.044 1.00 0.00 H new ATOM 1147 N GLU B 15 2.920 -6.319 -1.821 1.00 0.00 N ATOM 1148 CA GLU B 15 3.580 -6.636 -3.077 1.00 0.00 C ATOM 1149 C GLU B 15 3.703 -5.381 -3.907 1.00 0.00 C ATOM 1150 O GLU B 15 4.760 -5.118 -4.468 1.00 0.00 O ATOM 1151 CB GLU B 15 2.779 -7.681 -3.857 1.00 0.00 C ATOM 1152 CG GLU B 15 3.693 -8.469 -4.812 1.00 0.00 C ATOM 1153 CD GLU B 15 3.605 -9.966 -4.505 1.00 0.00 C ATOM 1154 OE1 GLU B 15 2.740 -10.620 -5.065 1.00 0.00 O ATOM 1155 OE2 GLU B 15 4.403 -10.434 -3.710 1.00 0.00 O ATOM 0 H GLU B 15 2.001 -6.745 -1.701 1.00 0.00 H new ATOM 0 HA GLU B 15 4.569 -7.041 -2.861 1.00 0.00 H new ATOM 0 HB2 GLU B 15 2.294 -8.367 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU B 15 1.989 -7.190 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU B 15 3.399 -8.283 -5.845 1.00 0.00 H new ATOM 0 HG3 GLU B 15 4.723 -8.128 -4.707 1.00 0.00 H new ATOM 1162 N ILE B 16 2.622 -4.591 -3.975 1.00 0.00 N ATOM 1163 CA ILE B 16 2.700 -3.350 -4.769 1.00 0.00 C ATOM 1164 C ILE B 16 3.828 -2.485 -4.213 1.00 0.00 C ATOM 1165 O ILE B 16 4.704 -2.019 -4.943 1.00 0.00 O ATOM 1166 CB ILE B 16 1.423 -2.468 -4.691 1.00 0.00 C ATOM 1167 CG1 ILE B 16 0.127 -3.282 -4.579 1.00 0.00 C ATOM 1168 CG2 ILE B 16 1.352 -1.570 -5.930 1.00 0.00 C ATOM 1169 CD1 ILE B 16 -0.167 -4.014 -5.875 1.00 0.00 C ATOM 0 H ILE B 16 1.728 -4.771 -3.518 1.00 0.00 H new ATOM 0 HA ILE B 16 2.847 -3.668 -5.801 1.00 0.00 H new ATOM 0 HB ILE B 16 1.503 -1.875 -3.780 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.213 -4.000 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE B 16 -0.703 -2.619 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE B 16 0.457 -0.950 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE B 16 2.235 -0.932 -5.968 1.00 0.00 H new ATOM 0 HG23 ILE B 16 1.314 -2.189 -6.826 1.00 0.00 H new ATOM 0 HD11 ILE B 16 -1.090 -4.584 -5.770 1.00 0.00 H new ATOM 0 HD12 ILE B 16 -0.276 -3.292 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.654 -4.693 -6.104 1.00 0.00 H new ATOM 1181 N MET B 17 3.769 -2.290 -2.901 1.00 0.00 N ATOM 1182 CA MET B 17 4.746 -1.496 -2.169 1.00 0.00 C ATOM 1183 C MET B 17 6.150 -2.102 -2.303 1.00 0.00 C ATOM 1184 O MET B 17 7.149 -1.384 -2.245 1.00 0.00 O ATOM 1185 CB MET B 17 4.308 -1.399 -0.714 1.00 0.00 C ATOM 1186 CG MET B 17 2.880 -0.833 -0.643 1.00 0.00 C ATOM 1187 SD MET B 17 2.858 0.847 -1.267 1.00 0.00 S ATOM 1188 CE MET B 17 3.933 1.525 -0.008 1.00 0.00 C ATOM 0 H MET B 17 3.035 -2.682 -2.311 1.00 0.00 H new ATOM 0 HA MET B 17 4.796 -0.491 -2.588 1.00 0.00 H new ATOM 0 HB2 MET B 17 4.344 -2.383 -0.246 1.00 0.00 H new ATOM 0 HB3 MET B 17 4.993 -0.757 -0.159 1.00 0.00 H new ATOM 0 HG2 MET B 17 2.203 -1.456 -1.227 1.00 0.00 H new ATOM 0 HG3 MET B 17 2.522 -0.853 0.387 1.00 0.00 H new ATOM 0 HE1 MET B 17 3.493 2.438 0.393 1.00 0.00 H new ATOM 0 HE2 MET B 17 4.057 0.798 0.795 1.00 0.00 H new ATOM 0 HE3 MET B 17 4.906 1.753 -0.444 1.00 0.00 H new ATOM 1198 N ARG B 18 6.220 -3.425 -2.501 1.00 0.00 N ATOM 1199 CA ARG B 18 7.503 -4.102 -2.678 1.00 0.00 C ATOM 1200 C ARG B 18 8.115 -3.768 -4.034 1.00 0.00 C ATOM 1201 O ARG B 18 9.326 -3.575 -4.143 1.00 0.00 O ATOM 1202 CB ARG B 18 7.327 -5.612 -2.585 1.00 0.00 C ATOM 1203 CG ARG B 18 7.327 -6.055 -1.124 1.00 0.00 C ATOM 1204 CD ARG B 18 8.754 -6.321 -0.635 1.00 0.00 C ATOM 1205 NE ARG B 18 9.726 -5.442 -1.296 1.00 0.00 N ATOM 1206 CZ ARG B 18 10.465 -4.575 -0.608 1.00 0.00 C ATOM 1207 NH1 ARG B 18 11.240 -4.996 0.352 1.00 0.00 N ATOM 1208 NH2 ARG B 18 10.420 -3.306 -0.899 1.00 0.00 N ATOM 0 H ARG B 18 5.408 -4.040 -2.542 1.00 0.00 H new ATOM 0 HA ARG B 18 8.166 -3.756 -1.886 1.00 0.00 H new ATOM 0 HB2 ARG B 18 6.392 -5.906 -3.062 1.00 0.00 H new ATOM 0 HB3 ARG B 18 8.131 -6.113 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG B 18 6.864 -5.286 -0.506 1.00 0.00 H new ATOM 0 HG3 ARG B 18 6.726 -6.957 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG B 18 8.803 -6.172 0.444 1.00 0.00 H new ATOM 0 HD3 ARG B 18 9.016 -7.362 -0.825 1.00 0.00 H new ATOM 0 HE ARG B 18 9.838 -5.497 -2.308 1.00 0.00 H new ATOM 0 HH11 ARG B 18 11.280 -5.990 0.576 1.00 0.00 H new ATOM 0 HH12 ARG B 18 11.806 -4.331 0.879 1.00 0.00 H new ATOM 0 HH21 ARG B 18 9.818 -2.977 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG B 18 10.986 -2.641 -0.372 1.00 0.00 H new ATOM 1222 N LEU B 19 7.260 -3.728 -5.063 1.00 0.00 N ATOM 1223 CA LEU B 19 7.704 -3.446 -6.429 1.00 0.00 C ATOM 1224 C LEU B 19 8.444 -2.114 -6.504 1.00 0.00 C ATOM 1225 O LEU B 19 7.838 -1.057 -6.351 1.00 0.00 O ATOM 1226 CB LEU B 19 6.503 -3.399 -7.380 1.00 0.00 C ATOM 1227 CG LEU B 19 5.779 -4.749 -7.449 1.00 0.00 C ATOM 1228 CD1 LEU B 19 4.483 -4.594 -8.237 1.00 0.00 C ATOM 1229 CD2 LEU B 19 6.646 -5.777 -8.149 1.00 0.00 C ATOM 0 H LEU B 19 6.257 -3.888 -4.973 1.00 0.00 H new ATOM 0 HA LEU B 19 8.382 -4.247 -6.726 1.00 0.00 H new ATOM 0 HB2 LEU B 19 5.806 -2.629 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.840 -3.116 -8.377 1.00 0.00 H new ATOM 0 HG LEU B 19 5.568 -5.080 -6.432 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.969 -5.554 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU B 19 3.842 -3.864 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.710 -4.253 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU B 19 6.119 -6.730 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU B 19 6.865 -5.439 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU B 19 7.579 -5.902 -7.599 1.00 0.00 H new ATOM 1241 N PRO B 20 9.737 -2.145 -6.737 1.00 0.00 N ATOM 1242 CA PRO B 20 10.563 -0.914 -6.829 1.00 0.00 C ATOM 1243 C PRO B 20 10.414 -0.176 -8.165 1.00 0.00 C ATOM 1244 O PRO B 20 10.884 0.956 -8.295 1.00 0.00 O ATOM 1245 CB PRO B 20 12.004 -1.421 -6.645 1.00 0.00 C ATOM 1246 CG PRO B 20 11.932 -2.899 -6.445 1.00 0.00 C ATOM 1247 CD PRO B 20 10.570 -3.341 -6.941 1.00 0.00 C ATOM 0 HA PRO B 20 10.256 -0.181 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO B 20 12.611 -1.180 -7.518 1.00 0.00 H new ATOM 0 HB3 PRO B 20 12.474 -0.940 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO B 20 12.726 -3.403 -6.996 1.00 0.00 H new ATOM 0 HG3 PRO B 20 12.062 -3.154 -5.393 1.00 0.00 H new ATOM 0 HD2 PRO B 20 10.599 -3.638 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO B 20 10.194 -4.195 -6.378 1.00 0.00 H new ATOM 1255 N ASN B 21 9.781 -0.816 -9.158 1.00 0.00 N ATOM 1256 CA ASN B 21 9.615 -0.188 -10.468 1.00 0.00 C ATOM 1257 C ASN B 21 8.296 0.581 -10.556 1.00 0.00 C ATOM 1258 O ASN B 21 8.155 1.465 -11.404 1.00 0.00 O ATOM 1259 CB ASN B 21 9.686 -1.243 -11.576 1.00 0.00 C ATOM 1260 CG ASN B 21 11.002 -2.018 -11.501 1.00 0.00 C ATOM 1261 OD1 ASN B 21 11.035 -3.260 -11.892 1.00 0.00 O flip ATOM 1262 ND2 ASN B 21 12.026 -1.479 -11.079 1.00 0.00 N flip ATOM 0 H ASN B 21 9.383 -1.752 -9.079 1.00 0.00 H new ATOM 0 HA ASN B 21 10.429 0.525 -10.601 1.00 0.00 H new ATOM 0 HB2 ASN B 21 8.847 -1.932 -11.483 1.00 0.00 H new ATOM 0 HB3 ASN B 21 9.597 -0.761 -12.550 1.00 0.00 H new ATOM 0 HD21 ASN B 21 12.001 -0.506 -10.773 1.00 0.00 H new ATOM 0 HD22 ASN B 21 12.899 -2.005 -11.036 1.00 0.00 H new ATOM 1269 N LEU B 22 7.333 0.254 -9.683 1.00 0.00 N ATOM 1270 CA LEU B 22 6.044 0.952 -9.702 1.00 0.00 C ATOM 1271 C LEU B 22 6.175 2.374 -9.183 1.00 0.00 C ATOM 1272 O LEU B 22 7.023 2.675 -8.340 1.00 0.00 O ATOM 1273 CB LEU B 22 4.985 0.242 -8.838 1.00 0.00 C ATOM 1274 CG LEU B 22 4.683 -1.170 -9.332 1.00 0.00 C ATOM 1275 CD1 LEU B 22 3.374 -1.669 -8.708 1.00 0.00 C ATOM 1276 CD2 LEU B 22 4.529 -1.156 -10.830 1.00 0.00 C ATOM 0 H LEU B 22 7.419 -0.472 -8.972 1.00 0.00 H new ATOM 0 HA LEU B 22 5.727 0.953 -10.745 1.00 0.00 H new ATOM 0 HB2 LEU B 22 5.333 0.196 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.066 0.829 -8.839 1.00 0.00 H new ATOM 0 HG LEU B 22 5.503 -1.829 -9.046 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.163 -2.677 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU B 22 3.469 -1.680 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.558 -1.005 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU B 22 4.313 -2.164 -11.183 1.00 0.00 H new ATOM 0 HD22 LEU B 22 3.710 -0.492 -11.105 1.00 0.00 H new ATOM 0 HD23 LEU B 22 5.453 -0.801 -11.287 1.00 0.00 H new ATOM 1288 N ASN B 23 5.285 3.227 -9.672 1.00 0.00 N ATOM 1289 CA ASN B 23 5.228 4.615 -9.246 1.00 0.00 C ATOM 1290 C ASN B 23 4.405 4.658 -7.955 1.00 0.00 C ATOM 1291 O ASN B 23 3.564 3.788 -7.739 1.00 0.00 O ATOM 1292 CB ASN B 23 4.587 5.424 -10.411 1.00 0.00 C ATOM 1293 CG ASN B 23 3.580 6.482 -9.972 1.00 0.00 C ATOM 1294 OD1 ASN B 23 3.750 7.136 -8.963 1.00 0.00 O ATOM 1295 ND2 ASN B 23 2.529 6.699 -10.712 1.00 0.00 N ATOM 0 H ASN B 23 4.586 2.976 -10.372 1.00 0.00 H new ATOM 0 HA ASN B 23 6.204 5.052 -9.033 1.00 0.00 H new ATOM 0 HB2 ASN B 23 5.381 5.910 -10.978 1.00 0.00 H new ATOM 0 HB3 ASN B 23 4.091 4.729 -11.089 1.00 0.00 H new ATOM 0 HD21 ASN B 23 1.855 7.415 -10.442 1.00 0.00 H new ATOM 0 HD22 ASN B 23 2.381 6.153 -11.561 1.00 0.00 H new ATOM 1302 N SER B 24 4.630 5.663 -7.104 1.00 0.00 N ATOM 1303 CA SER B 24 3.871 5.763 -5.854 1.00 0.00 C ATOM 1304 C SER B 24 2.388 5.882 -6.176 1.00 0.00 C ATOM 1305 O SER B 24 1.548 5.235 -5.556 1.00 0.00 O ATOM 1306 CB SER B 24 4.337 6.969 -5.040 1.00 0.00 C ATOM 1307 OG SER B 24 5.736 6.870 -4.817 1.00 0.00 O ATOM 0 H SER B 24 5.316 6.404 -7.252 1.00 0.00 H new ATOM 0 HA SER B 24 4.041 4.866 -5.258 1.00 0.00 H new ATOM 0 HB2 SER B 24 4.106 7.892 -5.571 1.00 0.00 H new ATOM 0 HB3 SER B 24 3.807 7.007 -4.088 1.00 0.00 H new ATOM 0 HG SER B 24 6.103 7.761 -4.639 1.00 0.00 H new ATOM 1313 N LEU B 25 2.096 6.688 -7.193 1.00 0.00 N ATOM 1314 CA LEU B 25 0.737 6.875 -7.663 1.00 0.00 C ATOM 1315 C LEU B 25 0.241 5.609 -8.353 1.00 0.00 C ATOM 1316 O LEU B 25 -0.927 5.243 -8.217 1.00 0.00 O ATOM 1317 CB LEU B 25 0.658 8.073 -8.623 1.00 0.00 C ATOM 1318 CG LEU B 25 -0.095 9.216 -7.968 1.00 0.00 C ATOM 1319 CD1 LEU B 25 -0.166 10.415 -8.923 1.00 0.00 C ATOM 1320 CD2 LEU B 25 -1.499 8.731 -7.623 1.00 0.00 C ATOM 0 H LEU B 25 2.794 7.225 -7.708 1.00 0.00 H new ATOM 0 HA LEU B 25 0.098 7.080 -6.804 1.00 0.00 H new ATOM 0 HB2 LEU B 25 1.662 8.398 -8.896 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.157 7.778 -9.545 1.00 0.00 H new ATOM 0 HG LEU B 25 0.420 9.533 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.708 11.230 -8.444 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.843 10.745 -9.168 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.684 10.122 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -2.057 9.539 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -2.011 8.421 -8.534 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -1.434 7.886 -6.938 1.00 0.00 H new ATOM 1332 N GLN B 26 1.142 4.920 -9.068 1.00 0.00 N ATOM 1333 CA GLN B 26 0.760 3.664 -9.733 1.00 0.00 C ATOM 1334 C GLN B 26 0.390 2.647 -8.673 1.00 0.00 C ATOM 1335 O GLN B 26 -0.544 1.860 -8.823 1.00 0.00 O ATOM 1336 CB GLN B 26 1.927 3.082 -10.528 1.00 0.00 C ATOM 1337 CG GLN B 26 1.863 3.481 -12.006 1.00 0.00 C ATOM 1338 CD GLN B 26 3.071 2.901 -12.733 1.00 0.00 C ATOM 1339 OE1 GLN B 26 3.909 2.144 -12.079 1.00 0.00 O flip ATOM 1340 NE2 GLN B 26 3.250 3.135 -13.926 1.00 0.00 N flip ATOM 0 H GLN B 26 2.114 5.200 -9.200 1.00 0.00 H new ATOM 0 HA GLN B 26 -0.071 3.876 -10.406 1.00 0.00 H new ATOM 0 HB2 GLN B 26 2.868 3.427 -10.099 1.00 0.00 H new ATOM 0 HB3 GLN B 26 1.918 1.995 -10.444 1.00 0.00 H new ATOM 0 HG2 GLN B 26 0.941 3.112 -12.455 1.00 0.00 H new ATOM 0 HG3 GLN B 26 1.852 4.567 -12.102 1.00 0.00 H new ATOM 0 HE21 GLN B 26 2.593 3.727 -14.434 1.00 0.00 H new ATOM 0 HE22 GLN B 26 4.056 2.737 -14.408 1.00 0.00 H new ATOM 1349 N VAL B 27 1.154 2.695 -7.598 1.00 0.00 N ATOM 1350 CA VAL B 27 0.965 1.815 -6.468 1.00 0.00 C ATOM 1351 C VAL B 27 -0.367 2.118 -5.829 1.00 0.00 C ATOM 1352 O VAL B 27 -1.137 1.211 -5.525 1.00 0.00 O ATOM 1353 CB VAL B 27 2.155 1.991 -5.517 1.00 0.00 C ATOM 1354 CG1 VAL B 27 1.872 1.383 -4.142 1.00 0.00 C ATOM 1355 CG2 VAL B 27 3.361 1.287 -6.153 1.00 0.00 C ATOM 0 H VAL B 27 1.927 3.351 -7.487 1.00 0.00 H new ATOM 0 HA VAL B 27 0.938 0.766 -6.765 1.00 0.00 H new ATOM 0 HB VAL B 27 2.347 3.054 -5.368 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.738 1.527 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL B 27 1.004 1.871 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL B 27 1.673 0.317 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.229 1.392 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL B 27 3.135 0.229 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL B 27 3.577 1.739 -7.121 1.00 0.00 H new ATOM 1365 N VAL B 28 -0.662 3.402 -5.708 1.00 0.00 N ATOM 1366 CA VAL B 28 -1.936 3.833 -5.188 1.00 0.00 C ATOM 1367 C VAL B 28 -3.036 3.313 -6.119 1.00 0.00 C ATOM 1368 O VAL B 28 -4.120 2.958 -5.673 1.00 0.00 O ATOM 1369 CB VAL B 28 -1.977 5.367 -5.101 1.00 0.00 C ATOM 1370 CG1 VAL B 28 -3.365 5.814 -4.642 1.00 0.00 C ATOM 1371 CG2 VAL B 28 -0.921 5.865 -4.099 1.00 0.00 C ATOM 0 H VAL B 28 -0.031 4.161 -5.965 1.00 0.00 H new ATOM 0 HA VAL B 28 -2.089 3.437 -4.184 1.00 0.00 H new ATOM 0 HB VAL B 28 -1.763 5.787 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -3.395 6.902 -4.580 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -4.113 5.471 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.578 5.389 -3.661 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.957 6.953 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.127 5.444 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.070 5.551 -4.428 1.00 0.00 H new ATOM 1381 N ALA B 29 -2.726 3.260 -7.419 1.00 0.00 N ATOM 1382 CA ALA B 29 -3.671 2.775 -8.415 1.00 0.00 C ATOM 1383 C ALA B 29 -4.075 1.349 -8.084 1.00 0.00 C ATOM 1384 O ALA B 29 -5.258 0.998 -8.119 1.00 0.00 O ATOM 1385 CB ALA B 29 -3.014 2.815 -9.805 1.00 0.00 C ATOM 0 H ALA B 29 -1.825 3.549 -7.800 1.00 0.00 H new ATOM 0 HA ALA B 29 -4.557 3.409 -8.413 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -3.720 2.452 -10.552 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -2.728 3.840 -10.043 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -2.127 2.182 -9.807 1.00 0.00 H new ATOM 1391 N PHE B 30 -3.077 0.535 -7.746 1.00 0.00 N ATOM 1392 CA PHE B 30 -3.310 -0.830 -7.401 1.00 0.00 C ATOM 1393 C PHE B 30 -3.972 -0.927 -6.028 1.00 0.00 C ATOM 1394 O PHE B 30 -4.944 -1.655 -5.865 1.00 0.00 O ATOM 1395 CB PHE B 30 -1.969 -1.573 -7.459 1.00 0.00 C ATOM 1396 CG PHE B 30 -1.450 -1.543 -8.896 1.00 0.00 C ATOM 1397 CD1 PHE B 30 -2.260 -1.997 -9.959 1.00 0.00 C ATOM 1398 CD2 PHE B 30 -0.175 -1.011 -9.184 1.00 0.00 C ATOM 1399 CE1 PHE B 30 -1.797 -1.921 -11.269 1.00 0.00 C ATOM 1400 CE2 PHE B 30 0.270 -0.935 -10.501 1.00 0.00 C ATOM 1401 CZ PHE B 30 -0.539 -1.389 -11.543 1.00 0.00 C ATOM 0 H PHE B 30 -2.098 0.818 -7.709 1.00 0.00 H new ATOM 0 HA PHE B 30 -3.998 -1.296 -8.107 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -1.249 -1.105 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.094 -2.603 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -3.240 -2.404 -9.756 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.457 -0.662 -8.381 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -2.417 -2.277 -12.079 1.00 0.00 H new ATOM 0 HE2 PHE B 30 1.245 -0.523 -10.717 1.00 0.00 H new ATOM 0 HZ PHE B 30 -0.190 -1.328 -12.563 1.00 0.00 H new ATOM 1411 N ILE B 31 -3.477 -0.158 -5.055 1.00 0.00 N ATOM 1412 CA ILE B 31 -4.063 -0.171 -3.710 1.00 0.00 C ATOM 1413 C ILE B 31 -5.540 0.210 -3.776 1.00 0.00 C ATOM 1414 O ILE B 31 -6.397 -0.462 -3.202 1.00 0.00 O ATOM 1415 CB ILE B 31 -3.320 0.820 -2.799 1.00 0.00 C ATOM 1416 CG1 ILE B 31 -1.850 0.391 -2.644 1.00 0.00 C ATOM 1417 CG2 ILE B 31 -3.983 0.845 -1.415 1.00 0.00 C ATOM 1418 CD1 ILE B 31 -1.039 1.549 -2.053 1.00 0.00 C ATOM 0 H ILE B 31 -2.684 0.473 -5.169 1.00 0.00 H new ATOM 0 HA ILE B 31 -3.969 -1.177 -3.301 1.00 0.00 H new ATOM 0 HB ILE B 31 -3.364 1.812 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -1.782 -0.483 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -1.440 0.103 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -3.455 1.548 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -5.023 1.156 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -3.943 -0.151 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.002 1.245 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -1.097 2.411 -2.718 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -1.444 1.816 -1.077 1.00 0.00 H new ATOM 1430 N ASN B 32 -5.818 1.288 -4.493 1.00 0.00 N ATOM 1431 CA ASN B 32 -7.176 1.776 -4.663 1.00 0.00 C ATOM 1432 C ASN B 32 -8.070 0.724 -5.323 1.00 0.00 C ATOM 1433 O ASN B 32 -9.274 0.695 -5.074 1.00 0.00 O ATOM 1434 CB ASN B 32 -7.149 3.043 -5.517 1.00 0.00 C ATOM 1435 CG ASN B 32 -8.506 3.737 -5.512 1.00 0.00 C ATOM 1436 OD1 ASN B 32 -9.306 3.567 -4.591 1.00 0.00 O ATOM 1437 ND2 ASN B 32 -8.804 4.520 -6.502 1.00 0.00 N ATOM 0 H ASN B 32 -5.111 1.847 -4.971 1.00 0.00 H new ATOM 0 HA ASN B 32 -7.591 1.995 -3.679 1.00 0.00 H new ATOM 0 HB2 ASN B 32 -6.387 3.724 -5.138 1.00 0.00 H new ATOM 0 HB3 ASN B 32 -6.870 2.790 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN B 32 -9.705 4.999 -6.520 1.00 0.00 H new ATOM 0 HD22 ASN B 32 -8.138 4.657 -7.262 1.00 0.00 H new ATOM 1444 N SER B 33 -7.485 -0.144 -6.159 1.00 0.00 N ATOM 1445 CA SER B 33 -8.259 -1.172 -6.817 1.00 0.00 C ATOM 1446 C SER B 33 -8.624 -2.259 -5.816 1.00 0.00 C ATOM 1447 O SER B 33 -9.681 -2.878 -5.923 1.00 0.00 O ATOM 1448 CB SER B 33 -7.511 -1.706 -8.023 1.00 0.00 C ATOM 1449 OG SER B 33 -7.862 -0.942 -9.170 1.00 0.00 O ATOM 0 H SER B 33 -6.490 -0.145 -6.385 1.00 0.00 H new ATOM 0 HA SER B 33 -9.192 -0.752 -7.193 1.00 0.00 H new ATOM 0 HB2 SER B 33 -6.436 -1.653 -7.851 1.00 0.00 H new ATOM 0 HB3 SER B 33 -7.757 -2.756 -8.182 1.00 0.00 H new ATOM 0 HG SER B 33 -7.379 -1.284 -9.951 1.00 0.00 H new ATOM 1455 N LEU B 34 -7.769 -2.453 -4.803 1.00 0.00 N ATOM 1456 CA LEU B 34 -8.074 -3.423 -3.755 1.00 0.00 C ATOM 1457 C LEU B 34 -9.322 -2.919 -3.049 1.00 0.00 C ATOM 1458 O LEU B 34 -10.265 -3.667 -2.798 1.00 0.00 O ATOM 1459 CB LEU B 34 -6.920 -3.547 -2.748 1.00 0.00 C ATOM 1460 CG LEU B 34 -5.571 -3.663 -3.478 1.00 0.00 C ATOM 1461 CD1 LEU B 34 -4.422 -3.755 -2.488 1.00 0.00 C ATOM 1462 CD2 LEU B 34 -5.565 -4.904 -4.329 1.00 0.00 C ATOM 0 H LEU B 34 -6.882 -1.962 -4.691 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.224 -4.411 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.910 -2.678 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -7.074 -4.422 -2.117 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.443 -2.773 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -3.480 -3.836 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -4.406 -2.861 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -4.555 -4.634 -1.857 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -4.609 -4.986 -4.846 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -5.712 -5.780 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -6.370 -4.847 -5.062 1.00 0.00 H new ATOM 1474 N ARG B 35 -9.322 -1.606 -2.790 1.00 0.00 N ATOM 1475 CA ARG B 35 -10.488 -0.945 -2.172 1.00 0.00 C ATOM 1476 C ARG B 35 -11.703 -1.134 -3.070 1.00 0.00 C ATOM 1477 O ARG B 35 -12.805 -1.420 -2.597 1.00 0.00 O ATOM 1478 CB ARG B 35 -10.257 0.569 -1.986 1.00 0.00 C ATOM 1479 CG ARG B 35 -9.311 0.821 -0.814 1.00 0.00 C ATOM 1480 CD ARG B 35 -9.286 2.297 -0.432 1.00 0.00 C ATOM 1481 NE ARG B 35 -8.883 2.439 0.970 1.00 0.00 N ATOM 1482 CZ ARG B 35 -9.465 3.333 1.761 1.00 0.00 C ATOM 1483 NH1 ARG B 35 -10.555 3.021 2.403 1.00 0.00 N ATOM 1484 NH2 ARG B 35 -8.953 4.523 1.893 1.00 0.00 N ATOM 0 H ARG B 35 -8.541 -0.983 -2.994 1.00 0.00 H new ATOM 0 HA ARG B 35 -10.644 -1.397 -1.192 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -9.838 0.995 -2.898 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -11.209 1.070 -1.808 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -9.624 0.226 0.044 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -8.305 0.494 -1.078 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.592 2.837 -1.076 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -10.271 2.738 -0.584 1.00 0.00 H new ATOM 0 HE ARG B 35 -8.145 1.842 1.344 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -10.960 2.091 2.298 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -11.003 3.707 3.011 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -8.102 4.771 1.388 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -9.403 5.207 2.501 1.00 0.00 H new ATOM 1498 N ASP B 36 -11.471 -0.985 -4.372 1.00 0.00 N ATOM 1499 CA ASP B 36 -12.520 -1.145 -5.371 1.00 0.00 C ATOM 1500 C ASP B 36 -13.056 -2.577 -5.343 1.00 0.00 C ATOM 1501 O ASP B 36 -14.250 -2.804 -5.535 1.00 0.00 O ATOM 1502 CB ASP B 36 -11.954 -0.809 -6.764 1.00 0.00 C ATOM 1503 CG ASP B 36 -11.558 0.675 -6.866 1.00 0.00 C ATOM 1504 OD1 ASP B 36 -11.994 1.465 -6.038 1.00 0.00 O ATOM 1505 OD2 ASP B 36 -10.814 1.002 -7.776 1.00 0.00 O ATOM 0 H ASP B 36 -10.557 -0.752 -4.760 1.00 0.00 H new ATOM 0 HA ASP B 36 -13.342 -0.466 -5.147 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -11.084 -1.434 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -12.697 -1.042 -7.526 1.00 0.00 H new ATOM 1510 N ASP B 37 -12.153 -3.527 -5.083 1.00 0.00 N ATOM 1511 CA ASP B 37 -12.505 -4.948 -5.004 1.00 0.00 C ATOM 1512 C ASP B 37 -11.312 -5.761 -4.508 1.00 0.00 C ATOM 1513 O ASP B 37 -10.381 -6.047 -5.268 1.00 0.00 O ATOM 1514 CB ASP B 37 -12.963 -5.485 -6.374 1.00 0.00 C ATOM 1515 CG ASP B 37 -14.487 -5.606 -6.414 1.00 0.00 C ATOM 1516 OD1 ASP B 37 -15.014 -6.436 -5.688 1.00 0.00 O ATOM 1517 OD2 ASP B 37 -15.106 -4.871 -7.165 1.00 0.00 O ATOM 0 H ASP B 37 -11.164 -3.335 -4.922 1.00 0.00 H new ATOM 0 HA ASP B 37 -13.331 -5.049 -4.300 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -12.623 -4.817 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -12.509 -6.458 -6.561 1.00 0.00 H new ATOM 1522 N PRO B 38 -11.326 -6.140 -3.249 1.00 0.00 N ATOM 1523 CA PRO B 38 -10.232 -6.941 -2.641 1.00 0.00 C ATOM 1524 C PRO B 38 -10.217 -8.383 -3.139 1.00 0.00 C ATOM 1525 O PRO B 38 -9.235 -9.104 -2.945 1.00 0.00 O ATOM 1526 CB PRO B 38 -10.492 -6.881 -1.136 1.00 0.00 C ATOM 1527 CG PRO B 38 -11.699 -6.029 -0.922 1.00 0.00 C ATOM 1528 CD PRO B 38 -12.383 -5.849 -2.269 1.00 0.00 C ATOM 0 HA PRO B 38 -9.255 -6.541 -2.912 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.653 -7.882 -0.735 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.631 -6.463 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -12.377 -6.498 -0.209 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -11.416 -5.063 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -13.228 -6.528 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.769 -4.837 -2.388 1.00 0.00 H new ATOM 1536 N SER B 39 -11.306 -8.791 -3.791 1.00 0.00 N ATOM 1537 CA SER B 39 -11.409 -10.139 -4.328 1.00 0.00 C ATOM 1538 C SER B 39 -10.328 -10.338 -5.378 1.00 0.00 C ATOM 1539 O SER B 39 -9.724 -11.407 -5.471 1.00 0.00 O ATOM 1540 CB SER B 39 -12.789 -10.350 -4.958 1.00 0.00 C ATOM 1541 OG SER B 39 -13.795 -9.971 -4.028 1.00 0.00 O ATOM 0 H SER B 39 -12.125 -8.206 -3.957 1.00 0.00 H new ATOM 0 HA SER B 39 -11.278 -10.862 -3.523 1.00 0.00 H new ATOM 0 HB2 SER B 39 -12.879 -9.759 -5.869 1.00 0.00 H new ATOM 0 HB3 SER B 39 -12.916 -11.395 -5.242 1.00 0.00 H new ATOM 0 HG SER B 39 -14.679 -10.104 -4.430 1.00 0.00 H new ATOM 1547 N GLN B 40 -10.098 -9.282 -6.163 1.00 0.00 N ATOM 1548 CA GLN B 40 -9.097 -9.312 -7.212 1.00 0.00 C ATOM 1549 C GLN B 40 -7.845 -8.557 -6.793 1.00 0.00 C ATOM 1550 O GLN B 40 -7.142 -8.012 -7.640 1.00 0.00 O ATOM 1551 CB GLN B 40 -9.660 -8.720 -8.520 1.00 0.00 C ATOM 1552 CG GLN B 40 -11.193 -8.647 -8.477 1.00 0.00 C ATOM 1553 CD GLN B 40 -11.750 -8.437 -9.880 1.00 0.00 C ATOM 1554 OE1 GLN B 40 -11.451 -7.436 -10.529 1.00 0.00 O ATOM 1555 NE2 GLN B 40 -12.547 -9.333 -10.386 1.00 0.00 N ATOM 0 H GLN B 40 -10.598 -8.396 -6.085 1.00 0.00 H new ATOM 0 HA GLN B 40 -8.829 -10.354 -7.386 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -9.249 -7.723 -8.678 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -9.345 -9.332 -9.365 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -11.596 -9.566 -8.052 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -11.507 -7.830 -7.827 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -12.792 -10.162 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -12.926 -9.207 -11.324 1.00 0.00 H new ATOM 1564 N SER B 41 -7.545 -8.532 -5.488 1.00 0.00 N ATOM 1565 CA SER B 41 -6.355 -7.838 -5.026 1.00 0.00 C ATOM 1566 C SER B 41 -5.134 -8.371 -5.743 1.00 0.00 C ATOM 1567 O SER B 41 -4.204 -7.635 -6.052 1.00 0.00 O ATOM 1568 CB SER B 41 -6.182 -8.023 -3.514 1.00 0.00 C ATOM 1569 OG SER B 41 -7.152 -7.253 -2.822 1.00 0.00 O ATOM 0 H SER B 41 -8.100 -8.975 -4.756 1.00 0.00 H new ATOM 0 HA SER B 41 -6.468 -6.776 -5.243 1.00 0.00 H new ATOM 0 HB2 SER B 41 -6.286 -9.076 -3.253 1.00 0.00 H new ATOM 0 HB3 SER B 41 -5.180 -7.718 -3.213 1.00 0.00 H new ATOM 0 HG SER B 41 -7.039 -7.376 -1.856 1.00 0.00 H new ATOM 1575 N ALA B 42 -5.182 -9.656 -6.015 1.00 0.00 N ATOM 1576 CA ALA B 42 -4.122 -10.349 -6.717 1.00 0.00 C ATOM 1577 C ALA B 42 -4.099 -9.961 -8.195 1.00 0.00 C ATOM 1578 O ALA B 42 -3.065 -10.058 -8.843 1.00 0.00 O ATOM 1579 CB ALA B 42 -4.367 -11.851 -6.605 1.00 0.00 C ATOM 0 H ALA B 42 -5.964 -10.256 -5.753 1.00 0.00 H new ATOM 0 HA ALA B 42 -3.166 -10.075 -6.271 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -3.577 -12.389 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -4.369 -12.142 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -5.331 -12.097 -7.051 1.00 0.00 H new ATOM 1585 N ASN B 43 -5.269 -9.566 -8.712 1.00 0.00 N ATOM 1586 CA ASN B 43 -5.430 -9.205 -10.116 1.00 0.00 C ATOM 1587 C ASN B 43 -4.763 -7.894 -10.471 1.00 0.00 C ATOM 1588 O ASN B 43 -3.957 -7.832 -11.394 1.00 0.00 O ATOM 1589 CB ASN B 43 -6.903 -9.067 -10.401 1.00 0.00 C ATOM 1590 CG ASN B 43 -7.158 -8.994 -11.906 1.00 0.00 C ATOM 1591 OD1 ASN B 43 -7.427 -7.919 -12.438 1.00 0.00 O ATOM 1592 ND2 ASN B 43 -7.087 -10.080 -12.623 1.00 0.00 N ATOM 0 H ASN B 43 -6.127 -9.489 -8.165 1.00 0.00 H new ATOM 0 HA ASN B 43 -4.960 -9.989 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -7.441 -9.914 -9.977 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -7.289 -8.170 -9.918 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.255 -10.039 -13.628 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.864 -10.971 -12.179 1.00 0.00 H new ATOM 1599 N LEU B 44 -5.101 -6.841 -9.734 1.00 0.00 N ATOM 1600 CA LEU B 44 -4.514 -5.560 -9.990 1.00 0.00 C ATOM 1601 C LEU B 44 -3.094 -5.590 -9.464 1.00 0.00 C ATOM 1602 O LEU B 44 -2.202 -4.940 -9.991 1.00 0.00 O ATOM 1603 CB LEU B 44 -5.402 -4.392 -9.491 1.00 0.00 C ATOM 1604 CG LEU B 44 -5.486 -4.238 -7.978 1.00 0.00 C ATOM 1605 CD1 LEU B 44 -6.350 -5.318 -7.379 1.00 0.00 C ATOM 1606 CD2 LEU B 44 -4.127 -4.201 -7.327 1.00 0.00 C ATOM 0 H LEU B 44 -5.772 -6.862 -8.966 1.00 0.00 H new ATOM 0 HA LEU B 44 -4.457 -5.357 -11.059 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -5.022 -3.462 -9.914 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.410 -4.531 -9.882 1.00 0.00 H new ATOM 0 HG LEU B 44 -5.952 -3.273 -7.778 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.396 -5.189 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.355 -5.253 -7.796 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -5.924 -6.294 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.243 -4.090 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.596 -5.128 -7.541 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.558 -3.358 -7.719 1.00 0.00 H new ATOM 1618 N LEU B 45 -2.867 -6.430 -8.459 1.00 0.00 N ATOM 1619 CA LEU B 45 -1.531 -6.616 -7.965 1.00 0.00 C ATOM 1620 C LEU B 45 -0.779 -7.268 -9.099 1.00 0.00 C ATOM 1621 O LEU B 45 0.372 -6.957 -9.372 1.00 0.00 O ATOM 1622 CB LEU B 45 -1.528 -7.533 -6.752 1.00 0.00 C ATOM 1623 CG LEU B 45 -0.096 -7.960 -6.423 1.00 0.00 C ATOM 1624 CD1 LEU B 45 -0.041 -8.387 -4.976 1.00 0.00 C ATOM 1625 CD2 LEU B 45 0.337 -9.122 -7.323 1.00 0.00 C ATOM 0 H LEU B 45 -3.585 -6.978 -7.986 1.00 0.00 H new ATOM 0 HA LEU B 45 -1.083 -5.672 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -1.969 -7.020 -5.897 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -2.142 -8.412 -6.948 1.00 0.00 H new ATOM 0 HG LEU B 45 0.581 -7.123 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU B 45 0.974 -8.695 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -0.335 -7.553 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -0.723 -9.222 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU B 45 1.358 -9.413 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -0.330 -9.970 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU B 45 0.291 -8.811 -8.367 1.00 0.00 H new ATOM 1637 N ALA B 46 -1.495 -8.157 -9.786 1.00 0.00 N ATOM 1638 CA ALA B 46 -0.942 -8.849 -10.942 1.00 0.00 C ATOM 1639 C ALA B 46 -0.553 -7.780 -11.943 1.00 0.00 C ATOM 1640 O ALA B 46 0.543 -7.790 -12.497 1.00 0.00 O ATOM 1641 CB ALA B 46 -1.981 -9.803 -11.556 1.00 0.00 C ATOM 0 H ALA B 46 -2.456 -8.412 -9.560 1.00 0.00 H new ATOM 0 HA ALA B 46 -0.081 -9.453 -10.655 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -1.546 -10.309 -12.418 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -2.279 -10.543 -10.813 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -2.855 -9.234 -11.872 1.00 0.00 H new ATOM 1647 N GLU B 47 -1.459 -6.815 -12.092 1.00 0.00 N ATOM 1648 CA GLU B 47 -1.235 -5.674 -12.949 1.00 0.00 C ATOM 1649 C GLU B 47 -0.025 -4.902 -12.438 1.00 0.00 C ATOM 1650 O GLU B 47 0.697 -4.285 -13.213 1.00 0.00 O ATOM 1651 CB GLU B 47 -2.447 -4.725 -12.939 1.00 0.00 C ATOM 1652 CG GLU B 47 -3.688 -5.377 -13.534 1.00 0.00 C ATOM 1653 CD GLU B 47 -3.432 -5.857 -14.963 1.00 0.00 C ATOM 1654 OE1 GLU B 47 -3.064 -5.037 -15.790 1.00 0.00 O ATOM 1655 OE2 GLU B 47 -3.610 -7.039 -15.211 1.00 0.00 O ATOM 0 H GLU B 47 -2.363 -6.811 -11.620 1.00 0.00 H new ATOM 0 HA GLU B 47 -1.074 -6.036 -13.964 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -2.656 -4.415 -11.915 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -2.206 -3.823 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -3.991 -6.220 -12.914 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -4.513 -4.665 -13.530 1.00 0.00 H new ATOM 1662 N ALA B 48 0.159 -4.921 -11.110 1.00 0.00 N ATOM 1663 CA ALA B 48 1.243 -4.201 -10.475 1.00 0.00 C ATOM 1664 C ALA B 48 2.572 -4.852 -10.734 1.00 0.00 C ATOM 1665 O ALA B 48 3.517 -4.201 -11.144 1.00 0.00 O ATOM 1666 CB ALA B 48 1.002 -4.233 -8.980 1.00 0.00 C ATOM 0 H ALA B 48 -0.439 -5.434 -10.462 1.00 0.00 H new ATOM 0 HA ALA B 48 1.268 -3.188 -10.876 1.00 0.00 H new ATOM 0 HB1 ALA B 48 1.803 -3.698 -8.471 1.00 0.00 H new ATOM 0 HB2 ALA B 48 0.048 -3.757 -8.755 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.981 -5.267 -8.637 1.00 0.00 H new ATOM 1672 N LYS B 49 2.625 -6.150 -10.512 1.00 0.00 N ATOM 1673 CA LYS B 49 3.838 -6.896 -10.743 1.00 0.00 C ATOM 1674 C LYS B 49 4.191 -6.773 -12.214 1.00 0.00 C ATOM 1675 O LYS B 49 5.349 -6.594 -12.572 1.00 0.00 O ATOM 1676 CB LYS B 49 3.627 -8.344 -10.313 1.00 0.00 C ATOM 1677 CG LYS B 49 3.621 -8.447 -8.785 1.00 0.00 C ATOM 1678 CD LYS B 49 3.713 -9.925 -8.368 1.00 0.00 C ATOM 1679 CE LYS B 49 2.564 -10.742 -8.982 1.00 0.00 C ATOM 1680 NZ LYS B 49 3.093 -11.582 -10.093 1.00 0.00 N ATOM 0 H LYS B 49 1.841 -6.707 -10.172 1.00 0.00 H new ATOM 0 HA LYS B 49 4.669 -6.505 -10.156 1.00 0.00 H new ATOM 0 HB2 LYS B 49 2.684 -8.716 -10.713 1.00 0.00 H new ATOM 0 HB3 LYS B 49 4.418 -8.972 -10.724 1.00 0.00 H new ATOM 0 HG2 LYS B 49 4.460 -7.888 -8.369 1.00 0.00 H new ATOM 0 HG3 LYS B 49 2.711 -8.001 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS B 49 4.670 -10.338 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS B 49 3.680 -10.003 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS B 49 2.105 -11.373 -8.221 1.00 0.00 H new ATOM 0 HE3 LYS B 49 1.787 -10.075 -9.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 2.316 -11.837 -10.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 3.815 -11.049 -10.618 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 3.517 -12.447 -9.702 1.00 0.00 H new ATOM 1694 N LYS B 50 3.152 -6.796 -13.045 1.00 0.00 N ATOM 1695 CA LYS B 50 3.301 -6.618 -14.482 1.00 0.00 C ATOM 1696 C LYS B 50 3.748 -5.203 -14.798 1.00 0.00 C ATOM 1697 O LYS B 50 4.548 -4.996 -15.699 1.00 0.00 O ATOM 1698 CB LYS B 50 1.988 -6.894 -15.200 1.00 0.00 C ATOM 1699 CG LYS B 50 1.735 -8.410 -15.274 1.00 0.00 C ATOM 1700 CD LYS B 50 0.635 -8.717 -16.304 1.00 0.00 C ATOM 1701 CE LYS B 50 -0.708 -8.129 -15.849 1.00 0.00 C ATOM 1702 NZ LYS B 50 -0.867 -6.760 -16.419 1.00 0.00 N ATOM 0 H LYS B 50 2.189 -6.938 -12.741 1.00 0.00 H new ATOM 0 HA LYS B 50 4.055 -7.325 -14.827 1.00 0.00 H new ATOM 0 HB2 LYS B 50 1.167 -6.406 -14.674 1.00 0.00 H new ATOM 0 HB3 LYS B 50 2.018 -6.473 -16.205 1.00 0.00 H new ATOM 0 HG2 LYS B 50 2.655 -8.926 -15.549 1.00 0.00 H new ATOM 0 HG3 LYS B 50 1.440 -8.785 -14.294 1.00 0.00 H new ATOM 0 HD2 LYS B 50 0.910 -8.302 -17.273 1.00 0.00 H new ATOM 0 HD3 LYS B 50 0.541 -9.795 -16.434 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -1.527 -8.769 -16.176 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -0.750 -8.089 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -1.868 -6.592 -16.646 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -0.547 -6.055 -15.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -0.297 -6.676 -17.285 1.00 0.00 H new ATOM 1716 N LEU B 51 3.223 -4.229 -14.053 1.00 0.00 N ATOM 1717 CA LEU B 51 3.603 -2.837 -14.278 1.00 0.00 C ATOM 1718 C LEU B 51 5.030 -2.642 -13.855 1.00 0.00 C ATOM 1719 O LEU B 51 5.819 -1.991 -14.539 1.00 0.00 O ATOM 1720 CB LEU B 51 2.695 -1.885 -13.493 1.00 0.00 C ATOM 1721 CG LEU B 51 1.789 -1.133 -14.464 1.00 0.00 C ATOM 1722 CD1 LEU B 51 2.646 -0.173 -15.308 1.00 0.00 C ATOM 1723 CD2 LEU B 51 1.045 -2.137 -15.368 1.00 0.00 C ATOM 0 H LEU B 51 2.547 -4.375 -13.303 1.00 0.00 H new ATOM 0 HA LEU B 51 3.494 -2.611 -15.339 1.00 0.00 H new ATOM 0 HB2 LEU B 51 2.094 -2.446 -12.777 1.00 0.00 H new ATOM 0 HB3 LEU B 51 3.297 -1.180 -12.920 1.00 0.00 H new ATOM 0 HG LEU B 51 1.048 -0.556 -13.911 1.00 0.00 H new ATOM 0 HD11 LEU B 51 2.006 0.369 -16.005 1.00 0.00 H new ATOM 0 HD12 LEU B 51 3.151 0.536 -14.652 1.00 0.00 H new ATOM 0 HD13 LEU B 51 3.389 -0.743 -15.866 1.00 0.00 H new ATOM 0 HD21 LEU B 51 0.400 -1.595 -16.059 1.00 0.00 H new ATOM 0 HD22 LEU B 51 1.769 -2.724 -15.932 1.00 0.00 H new ATOM 0 HD23 LEU B 51 0.440 -2.802 -14.752 1.00 0.00 H new ATOM 1735 N ASN B 52 5.357 -3.262 -12.742 1.00 0.00 N ATOM 1736 CA ASN B 52 6.710 -3.223 -12.235 1.00 0.00 C ATOM 1737 C ASN B 52 7.588 -3.864 -13.279 1.00 0.00 C ATOM 1738 O ASN B 52 8.677 -3.384 -13.587 1.00 0.00 O ATOM 1739 CB ASN B 52 6.797 -3.982 -10.916 1.00 0.00 C ATOM 1740 CG ASN B 52 8.248 -4.137 -10.478 1.00 0.00 C ATOM 1741 OD1 ASN B 52 8.731 -3.405 -9.616 1.00 0.00 O ATOM 1742 ND2 ASN B 52 8.976 -5.052 -11.038 1.00 0.00 N ATOM 0 H ASN B 52 4.704 -3.799 -12.171 1.00 0.00 H new ATOM 0 HA ASN B 52 7.030 -2.199 -12.043 1.00 0.00 H new ATOM 0 HB2 ASN B 52 6.235 -3.451 -10.148 1.00 0.00 H new ATOM 0 HB3 ASN B 52 6.338 -4.965 -11.025 1.00 0.00 H new ATOM 0 HD21 ASN B 52 9.952 -5.166 -10.764 1.00 0.00 H new ATOM 0 HD22 ASN B 52 8.573 -5.658 -11.753 1.00 0.00 H new ATOM 1749 N ASP B 53 7.052 -4.937 -13.850 1.00 0.00 N ATOM 1750 CA ASP B 53 7.742 -5.651 -14.917 1.00 0.00 C ATOM 1751 C ASP B 53 7.821 -4.761 -16.156 1.00 0.00 C ATOM 1752 O ASP B 53 8.806 -4.783 -16.897 1.00 0.00 O ATOM 1753 CB ASP B 53 7.004 -6.955 -15.262 1.00 0.00 C ATOM 1754 CG ASP B 53 7.079 -7.971 -14.112 1.00 0.00 C ATOM 1755 OD1 ASP B 53 7.954 -7.843 -13.265 1.00 0.00 O ATOM 1756 OD2 ASP B 53 6.248 -8.864 -14.091 1.00 0.00 O ATOM 0 H ASP B 53 6.146 -5.330 -13.593 1.00 0.00 H new ATOM 0 HA ASP B 53 8.747 -5.901 -14.579 1.00 0.00 H new ATOM 0 HB2 ASP B 53 5.960 -6.734 -15.485 1.00 0.00 H new ATOM 0 HB3 ASP B 53 7.437 -7.391 -16.162 1.00 0.00 H new ATOM 1761 N ALA B 54 6.759 -3.978 -16.359 1.00 0.00 N ATOM 1762 CA ALA B 54 6.666 -3.068 -17.493 1.00 0.00 C ATOM 1763 C ALA B 54 7.727 -1.978 -17.391 1.00 0.00 C ATOM 1764 O ALA B 54 8.326 -1.585 -18.393 1.00 0.00 O ATOM 1765 CB ALA B 54 5.272 -2.439 -17.518 1.00 0.00 C ATOM 0 H ALA B 54 5.946 -3.960 -15.743 1.00 0.00 H new ATOM 0 HA ALA B 54 6.835 -3.626 -18.414 1.00 0.00 H new ATOM 0 HB1 ALA B 54 5.196 -1.757 -18.365 1.00 0.00 H new ATOM 0 HB2 ALA B 54 4.521 -3.223 -17.615 1.00 0.00 H new ATOM 0 HB3 ALA B 54 5.105 -1.889 -16.592 1.00 0.00 H new ATOM 1771 N GLN B 55 7.954 -1.504 -16.166 1.00 0.00 N ATOM 1772 CA GLN B 55 8.944 -0.463 -15.912 1.00 0.00 C ATOM 1773 C GLN B 55 10.309 -1.065 -15.586 1.00 0.00 C ATOM 1774 O GLN B 55 11.302 -0.344 -15.481 1.00 0.00 O ATOM 1775 CB GLN B 55 8.469 0.387 -14.753 1.00 0.00 C ATOM 1776 CG GLN B 55 7.197 1.135 -15.143 1.00 0.00 C ATOM 1777 CD GLN B 55 6.367 1.395 -13.900 1.00 0.00 C ATOM 1778 OE1 GLN B 55 5.920 0.378 -13.217 1.00 0.00 O flip ATOM 1779 NE2 GLN B 55 6.127 2.545 -13.535 1.00 0.00 N flip ATOM 0 H GLN B 55 7.463 -1.827 -15.333 1.00 0.00 H new ATOM 0 HA GLN B 55 9.054 0.146 -16.809 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.279 -0.242 -13.883 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.246 1.097 -14.469 1.00 0.00 H new ATOM 0 HG2 GLN B 55 7.450 2.077 -15.629 1.00 0.00 H new ATOM 0 HG3 GLN B 55 6.623 0.550 -15.862 1.00 0.00 H new ATOM 0 HE21 GLN B 55 6.480 3.335 -14.074 1.00 0.00 H new ATOM 0 HE22 GLN B 55 5.575 2.708 -12.693 1.00 0.00 H new ATOM 1788 N ALA B 56 10.348 -2.389 -15.423 1.00 0.00 N ATOM 1789 CA ALA B 56 11.597 -3.083 -15.104 1.00 0.00 C ATOM 1790 C ALA B 56 12.586 -2.972 -16.251 1.00 0.00 C ATOM 1791 O ALA B 56 12.216 -2.604 -17.370 1.00 0.00 O ATOM 1792 CB ALA B 56 11.337 -4.562 -14.817 1.00 0.00 C ATOM 0 H ALA B 56 9.535 -2.999 -15.506 1.00 0.00 H new ATOM 0 HA ALA B 56 12.017 -2.608 -14.217 1.00 0.00 H new ATOM 0 HB1 ALA B 56 12.279 -5.058 -14.582 1.00 0.00 H new ATOM 0 HB2 ALA B 56 10.657 -4.654 -13.970 1.00 0.00 H new ATOM 0 HB3 ALA B 56 10.889 -5.030 -15.694 1.00 0.00 H new ATOM 1798 N PRO B 57 13.833 -3.283 -15.996 1.00 0.00 N ATOM 1799 CA PRO B 57 14.898 -3.217 -17.011 1.00 0.00 C ATOM 1800 C PRO B 57 14.907 -4.467 -17.881 1.00 0.00 C ATOM 1801 O PRO B 57 14.251 -5.464 -17.566 1.00 0.00 O ATOM 1802 CB PRO B 57 16.190 -3.093 -16.182 1.00 0.00 C ATOM 1803 CG PRO B 57 15.774 -3.118 -14.746 1.00 0.00 C ATOM 1804 CD PRO B 57 14.392 -3.739 -14.725 1.00 0.00 C ATOM 0 HA PRO B 57 14.769 -2.387 -17.705 1.00 0.00 H new ATOM 0 HB2 PRO B 57 16.873 -3.913 -16.403 1.00 0.00 H new ATOM 0 HB3 PRO B 57 16.716 -2.168 -16.418 1.00 0.00 H new ATOM 0 HG2 PRO B 57 16.473 -3.701 -14.147 1.00 0.00 H new ATOM 0 HG3 PRO B 57 15.757 -2.112 -14.327 1.00 0.00 H new ATOM 0 HD2 PRO B 57 14.435 -4.827 -14.665 1.00 0.00 H new ATOM 0 HD3 PRO B 57 13.804 -3.396 -13.874 1.00 0.00 H new ATOM 1812 N LYS B 58 15.639 -4.388 -18.977 1.00 0.00 N ATOM 1813 CA LYS B 58 15.740 -5.490 -19.924 1.00 0.00 C ATOM 1814 C LYS B 58 17.198 -5.717 -20.333 1.00 0.00 C ATOM 1815 O LYS B 58 17.606 -6.866 -20.385 1.00 0.00 O ATOM 1816 CB LYS B 58 14.899 -5.170 -21.154 1.00 0.00 C ATOM 1817 CG LYS B 58 13.423 -5.539 -20.907 1.00 0.00 C ATOM 1818 CD LYS B 58 12.642 -4.298 -20.440 1.00 0.00 C ATOM 1819 CE LYS B 58 11.307 -4.722 -19.812 1.00 0.00 C ATOM 1820 NZ LYS B 58 11.530 -5.143 -18.400 1.00 0.00 N ATOM 1821 OXT LYS B 58 17.884 -4.740 -20.589 1.00 0.00 O ATOM 0 H LYS B 58 16.179 -3.563 -19.238 1.00 0.00 H new ATOM 0 HA LYS B 58 15.372 -6.401 -19.452 1.00 0.00 H new ATOM 0 HB2 LYS B 58 14.980 -4.109 -21.392 1.00 0.00 H new ATOM 0 HB3 LYS B 58 15.279 -5.720 -22.015 1.00 0.00 H new ATOM 0 HG2 LYS B 58 12.981 -5.935 -21.821 1.00 0.00 H new ATOM 0 HG3 LYS B 58 13.357 -6.325 -20.155 1.00 0.00 H new ATOM 0 HD2 LYS B 58 13.233 -3.738 -19.715 1.00 0.00 H new ATOM 0 HD3 LYS B 58 12.461 -3.633 -21.285 1.00 0.00 H new ATOM 0 HE2 LYS B 58 10.598 -3.895 -19.848 1.00 0.00 H new ATOM 0 HE3 LYS B 58 10.870 -5.542 -20.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 58 11.026 -6.035 -18.220 1.00 0.00 H new ATOM 0 HZ2 LYS B 58 12.548 -5.281 -18.235 1.00 0.00 H new ATOM 0 HZ3 LYS B 58 11.172 -4.408 -17.758 1.00 0.00 H new TER 1835 LYS B 58