USER MOD reduce.3.24.130724 H: found=0, std=0, add=1238, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1233 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: A 141 GLN : amide:sc= 0.147 K(o=0.5,f=-7.6!) USER MOD Set 1.2: A 144 LYS NZ :NH3+ -141:sc= 0.353 (180deg=-0.662) USER MOD Set 2.1: A 25 LYS NZ :NH3+ 157:sc= 0.297 (180deg=-0.735) USER MOD Set 2.2: A 61 TYR OH : rot 30:sc= -0.621 USER MOD Set 3.1: A 13 HIS : no HD1:sc= 1.02 K(o=1.6,f=-6.5!) USER MOD Set 3.2: A 45 THR OG1 : rot 173:sc= 0.611 USER MOD Set 4.1: A 14 GLN :FLIP amide:sc= -10.1! C(o=-11!,f=-10!) USER MOD Set 4.2: A 18 SER OG : rot 180:sc= -0.0756 USER MOD Set 5.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -142:sc= 0.0276 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 37:sc= 0.886 USER MOD Single : A 5 SER OG : rot 12:sc= 0.803! USER MOD Single : A 9 CYS SG : rot 16:sc= -1.89 USER MOD Single : A 11 SER OG : rot 15:sc= 1.16 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 126:sc= 0.106 USER MOD Single : A 34 THR OG1 : rot 70:sc= -1.2 USER MOD Single : A 36 HIS : no HD1:sc= -0.328 K(o=-0.33,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ 177:sc= -0.6! (180deg=-0.757!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -3.43! C(o=-5.8!,f=-3.4!) USER MOD Single : A 60 THR OG1 : rot 76:sc= 0.126 USER MOD Single : A 67 LYS NZ :NH3+ -166:sc=-0.00274 (180deg=-0.291) USER MOD Single : A 73 ASN : amide:sc= 0.595 K(o=0.6,f=-5.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 60:sc= 0.188 USER MOD Single : A 83 CYS SG : rot -112:sc= -0.256 USER MOD Single : A 89 CYS SG : rot 105:sc= -0.0148! USER MOD Single : A 91 SER OG : rot 65:sc= 0.8 USER MOD Single : A 92 GLN : amide:sc= -5.4! C(o=-5.4!,f=-5.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= -0.457 K(o=-0.46,f=-1.7) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN :FLIP amide:sc= -6.63! C(o=-11!,f=-6.6!) USER MOD Single : A 106 SER OG : rot 160:sc= -0.105 USER MOD Single : A 108 SER OG : rot 110:sc= 0 USER MOD Single : A 114 CYS SG : rot 43:sc= 1.12 USER MOD Single : A 115 LYS NZ :NH3+ 143:sc= -0.304 (180deg=-1.53!) USER MOD Single : A 116 ASN :FLIP amide:sc= -1.62 F(o=-5!,f=-1.6) USER MOD Single : A 118 GLN : amide:sc= 0.271 X(o=0.27,f=0) USER MOD Single : A 120 MET CE :methyl 168:sc= -4.25! (180deg=-4.82!) USER MOD Single : A 123 LYS NZ :NH3+ -122:sc= 1.01 (180deg=-0.0838) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 ASN :FLIP amide:sc= -1.09 F(o=-1.8,f=-1.1) USER MOD Single : A 131 LYS NZ :NH3+ -157:sc= -0.106 (180deg=-0.572) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-2.1!) USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ 165:sc= 0.0821 (180deg=0.037) USER MOD Single : A 150 GLN : amide:sc= -3.17! C(o=-3.2!,f=-4!) USER MOD Single : A 151 ASN : amide:sc= -0.418 X(o=-0.42,f=-0.47) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.964 -17.995 -12.144 1.00 0.00 N ATOM 2 CA GLY A 1 10.169 -19.188 -12.370 1.00 0.00 C ATOM 3 C GLY A 1 9.434 -19.153 -13.695 1.00 0.00 C ATOM 4 O GLY A 1 9.918 -18.573 -14.666 1.00 0.00 O ATOM 0 H1 GLY A 1 11.856 -18.256 -11.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.170 -17.538 -13.055 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.436 -17.336 -11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.817 -20.064 -12.341 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.447 -19.299 -11.561 1.00 0.00 H new ATOM 8 N SER A 2 8.261 -19.776 -13.735 1.00 0.00 N ATOM 9 CA SER A 2 7.459 -19.819 -14.952 1.00 0.00 C ATOM 10 C SER A 2 6.422 -18.699 -14.960 1.00 0.00 C ATOM 11 O SER A 2 6.413 -17.852 -15.853 1.00 0.00 O ATOM 12 CB SER A 2 6.763 -21.175 -15.083 1.00 0.00 C ATOM 13 OG SER A 2 5.902 -21.200 -16.208 1.00 0.00 O ATOM 0 H SER A 2 7.845 -20.258 -12.938 1.00 0.00 H new ATOM 0 HA SER A 2 8.127 -19.678 -15.802 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.510 -21.963 -15.175 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.191 -21.382 -14.179 1.00 0.00 H new ATOM 0 HG SER A 2 5.471 -22.078 -16.270 1.00 0.00 H new ATOM 19 N SER A 3 5.550 -18.703 -13.957 1.00 0.00 N ATOM 20 CA SER A 3 4.506 -17.691 -13.849 1.00 0.00 C ATOM 21 C SER A 3 5.039 -16.431 -13.174 1.00 0.00 C ATOM 22 O SER A 3 5.227 -16.396 -11.958 1.00 0.00 O ATOM 23 CB SER A 3 3.314 -18.239 -13.062 1.00 0.00 C ATOM 24 OG SER A 3 3.695 -18.603 -11.746 1.00 0.00 O ATOM 0 H SER A 3 5.546 -19.395 -13.208 1.00 0.00 H new ATOM 0 HA SER A 3 4.179 -17.433 -14.856 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.525 -17.488 -13.021 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.902 -19.106 -13.578 1.00 0.00 H new ATOM 0 HG SER A 3 4.358 -17.965 -11.409 1.00 0.00 H new ATOM 30 N GLY A 4 5.281 -15.396 -13.973 1.00 0.00 N ATOM 31 CA GLY A 4 5.790 -14.147 -13.436 1.00 0.00 C ATOM 32 C GLY A 4 4.776 -13.435 -12.563 1.00 0.00 C ATOM 33 O GLY A 4 4.276 -14.003 -11.592 1.00 0.00 O ATOM 0 H GLY A 4 5.134 -15.400 -14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.690 -14.345 -12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.080 -13.493 -14.258 1.00 0.00 H new ATOM 37 N SER A 5 4.473 -12.188 -12.907 1.00 0.00 N ATOM 38 CA SER A 5 3.516 -11.395 -12.144 1.00 0.00 C ATOM 39 C SER A 5 2.086 -11.837 -12.439 1.00 0.00 C ATOM 40 O SER A 5 1.628 -11.775 -13.580 1.00 0.00 O ATOM 41 CB SER A 5 3.679 -9.909 -12.468 1.00 0.00 C ATOM 42 OG SER A 5 3.146 -9.604 -13.745 1.00 0.00 O ATOM 0 H SER A 5 4.876 -11.704 -13.709 1.00 0.00 H new ATOM 0 HA SER A 5 3.715 -11.553 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.176 -9.311 -11.708 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.735 -9.641 -12.438 1.00 0.00 H new ATOM 0 HG SER A 5 2.614 -10.362 -14.067 1.00 0.00 H new ATOM 48 N SER A 6 1.386 -12.285 -11.401 1.00 0.00 N ATOM 49 CA SER A 6 0.009 -12.742 -11.548 1.00 0.00 C ATOM 50 C SER A 6 -0.955 -11.801 -10.832 1.00 0.00 C ATOM 51 O SER A 6 -2.097 -12.161 -10.551 1.00 0.00 O ATOM 52 CB SER A 6 -0.141 -14.161 -10.997 1.00 0.00 C ATOM 53 OG SER A 6 0.107 -15.128 -12.003 1.00 0.00 O ATOM 0 H SER A 6 1.750 -12.341 -10.450 1.00 0.00 H new ATOM 0 HA SER A 6 -0.236 -12.745 -12.610 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.552 -14.308 -10.168 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.147 -14.295 -10.599 1.00 0.00 H new ATOM 0 HG SER A 6 0.006 -16.027 -11.625 1.00 0.00 H new ATOM 59 N GLY A 7 -0.485 -10.592 -10.539 1.00 0.00 N ATOM 60 CA GLY A 7 -1.316 -9.618 -9.858 1.00 0.00 C ATOM 61 C GLY A 7 -1.499 -9.938 -8.388 1.00 0.00 C ATOM 62 O GLY A 7 -2.624 -10.117 -7.920 1.00 0.00 O ATOM 0 H GLY A 7 0.457 -10.270 -10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.868 -8.629 -9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.292 -9.576 -10.342 1.00 0.00 H new ATOM 66 N TRP A 8 -0.392 -10.011 -7.658 1.00 0.00 N ATOM 67 CA TRP A 8 -0.435 -10.314 -6.232 1.00 0.00 C ATOM 68 C TRP A 8 -0.971 -9.127 -5.439 1.00 0.00 C ATOM 69 O TRP A 8 -1.043 -8.009 -5.951 1.00 0.00 O ATOM 70 CB TRP A 8 0.958 -10.693 -5.728 1.00 0.00 C ATOM 71 CG TRP A 8 1.461 -11.989 -6.288 1.00 0.00 C ATOM 72 CD1 TRP A 8 2.150 -12.165 -7.454 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.312 -13.289 -5.707 1.00 0.00 C ATOM 74 NE1 TRP A 8 2.438 -13.497 -7.633 1.00 0.00 N ATOM 75 CE2 TRP A 8 1.935 -14.207 -6.575 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.714 -13.767 -4.538 1.00 0.00 C ATOM 77 CZ2 TRP A 8 1.976 -15.573 -6.309 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.755 -15.123 -4.276 1.00 0.00 C ATOM 79 CH2 TRP A 8 1.383 -16.013 -5.157 1.00 0.00 C ATOM 0 H TRP A 8 0.546 -9.865 -8.030 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.109 -11.158 -6.086 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.658 -9.898 -5.986 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.937 -10.759 -4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 8 2.428 -11.374 -8.135 1.00 0.00 H new ATOM 0 HE1 TRP A 8 2.944 -13.893 -8.425 1.00 0.00 H new ATOM 0 HE3 TRP A 8 0.229 -13.089 -3.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.459 -16.261 -6.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.295 -15.504 -3.376 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.399 -17.067 -4.922 1.00 0.00 H new ATOM 90 N CYS A 9 -1.345 -9.376 -4.190 1.00 0.00 N ATOM 91 CA CYS A 9 -1.875 -8.326 -3.326 1.00 0.00 C ATOM 92 C CYS A 9 -1.299 -8.438 -1.918 1.00 0.00 C ATOM 93 O CYS A 9 -1.182 -9.534 -1.369 1.00 0.00 O ATOM 94 CB CYS A 9 -3.401 -8.402 -3.274 1.00 0.00 C ATOM 95 SG CYS A 9 -4.039 -9.746 -2.245 1.00 0.00 S ATOM 0 H CYS A 9 -1.291 -10.296 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.581 -7.363 -3.743 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -3.789 -7.455 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.783 -8.522 -4.288 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.092 -10.188 -1.472 1.00 0.00 H new ATOM 101 N LEU A 10 -0.940 -7.298 -1.340 1.00 0.00 N ATOM 102 CA LEU A 10 -0.375 -7.267 0.005 1.00 0.00 C ATOM 103 C LEU A 10 -1.236 -6.423 0.939 1.00 0.00 C ATOM 104 O LEU A 10 -1.255 -5.196 0.843 1.00 0.00 O ATOM 105 CB LEU A 10 1.051 -6.713 -0.032 1.00 0.00 C ATOM 106 CG LEU A 10 1.742 -6.547 1.321 1.00 0.00 C ATOM 107 CD1 LEU A 10 2.365 -7.861 1.767 1.00 0.00 C ATOM 108 CD2 LEU A 10 2.795 -5.451 1.251 1.00 0.00 C ATOM 0 H LEU A 10 -1.030 -6.383 -1.781 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.352 -8.288 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.660 -7.373 -0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.030 -5.743 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 10 0.993 -6.256 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.852 -7.723 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.588 -8.620 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.102 -8.183 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.277 -5.347 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.542 -5.712 0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.321 -4.508 0.978 1.00 0.00 H new ATOM 120 N SER A 11 -1.947 -7.089 1.843 1.00 0.00 N ATOM 121 CA SER A 11 -2.812 -6.400 2.794 1.00 0.00 C ATOM 122 C SER A 11 -1.988 -5.589 3.789 1.00 0.00 C ATOM 123 O SER A 11 -0.920 -6.019 4.225 1.00 0.00 O ATOM 124 CB SER A 11 -3.689 -7.407 3.541 1.00 0.00 C ATOM 125 OG SER A 11 -4.792 -6.765 4.157 1.00 0.00 O ATOM 0 H SER A 11 -1.941 -8.105 1.937 1.00 0.00 H new ATOM 0 HA SER A 11 -3.452 -5.716 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.048 -8.167 2.847 1.00 0.00 H new ATOM 0 HB3 SER A 11 -3.095 -7.921 4.297 1.00 0.00 H new ATOM 0 HG SER A 11 -4.898 -5.865 3.783 1.00 0.00 H new ATOM 131 N VAL A 12 -2.492 -4.412 4.145 1.00 0.00 N ATOM 132 CA VAL A 12 -1.805 -3.539 5.090 1.00 0.00 C ATOM 133 C VAL A 12 -2.724 -3.140 6.238 1.00 0.00 C ATOM 134 O VAL A 12 -3.948 -3.214 6.123 1.00 0.00 O ATOM 135 CB VAL A 12 -1.281 -2.266 4.399 1.00 0.00 C ATOM 136 CG1 VAL A 12 -1.023 -1.171 5.423 1.00 0.00 C ATOM 137 CG2 VAL A 12 -0.021 -2.572 3.604 1.00 0.00 C ATOM 0 H VAL A 12 -3.374 -4.041 3.793 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.960 -4.103 5.485 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.043 -1.910 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.653 -0.279 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.951 -0.934 5.944 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.280 -1.514 6.143 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.335 -1.661 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.749 -2.953 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.243 -3.321 2.844 1.00 0.00 H new ATOM 147 N HIS A 13 -2.127 -2.717 7.348 1.00 0.00 N ATOM 148 CA HIS A 13 -2.892 -2.304 8.519 1.00 0.00 C ATOM 149 C HIS A 13 -3.198 -0.810 8.469 1.00 0.00 C ATOM 150 O HIS A 13 -2.296 0.020 8.566 1.00 0.00 O ATOM 151 CB HIS A 13 -2.125 -2.637 9.799 1.00 0.00 C ATOM 152 CG HIS A 13 -2.240 -4.073 10.210 1.00 0.00 C ATOM 153 ND1 HIS A 13 -3.450 -4.716 10.370 1.00 0.00 N ATOM 154 CD2 HIS A 13 -1.287 -4.992 10.491 1.00 0.00 C ATOM 155 CE1 HIS A 13 -3.236 -5.967 10.734 1.00 0.00 C ATOM 156 NE2 HIS A 13 -1.932 -6.161 10.815 1.00 0.00 N ATOM 0 H HIS A 13 -1.115 -2.651 7.461 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.835 -2.850 8.517 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.073 -2.392 9.656 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.493 -2.006 10.608 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.219 -4.836 10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -3.998 -6.706 10.932 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -1.478 -7.036 11.076 1.00 0.00 H new ATOM 164 N GLN A 14 -4.476 -0.478 8.317 1.00 0.00 N ATOM 165 CA GLN A 14 -4.900 0.916 8.253 1.00 0.00 C ATOM 166 C GLN A 14 -4.493 1.667 9.516 1.00 0.00 C ATOM 167 O GLN A 14 -4.211 1.073 10.557 1.00 0.00 O ATOM 168 CB GLN A 14 -6.415 1.002 8.059 1.00 0.00 C ATOM 169 CG GLN A 14 -6.845 0.954 6.602 1.00 0.00 C ATOM 170 CD GLN A 14 -8.352 0.935 6.439 1.00 0.00 C ATOM 171 OE1 GLN A 14 -8.825 1.304 5.254 1.00 0.00 O flip ATOM 172 NE2 GLN A 14 -9.084 0.593 7.368 1.00 0.00 N flip ATOM 0 H GLN A 14 -5.235 -1.154 8.236 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.405 1.381 7.401 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.889 0.181 8.596 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.778 1.927 8.506 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.438 1.819 6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.421 0.067 6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.678 0.317 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -10.096 0.586 7.244 1.00 0.00 H new ATOM 181 N PRO A 15 -4.462 3.005 9.426 1.00 0.00 N ATOM 182 CA PRO A 15 -4.795 3.723 8.192 1.00 0.00 C ATOM 183 C PRO A 15 -3.744 3.527 7.105 1.00 0.00 C ATOM 184 O PRO A 15 -4.053 3.578 5.914 1.00 0.00 O ATOM 185 CB PRO A 15 -4.840 5.188 8.635 1.00 0.00 C ATOM 186 CG PRO A 15 -3.955 5.249 9.831 1.00 0.00 C ATOM 187 CD PRO A 15 -4.098 3.920 10.521 1.00 0.00 C ATOM 0 HA PRO A 15 -5.727 3.367 7.753 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.486 5.851 7.846 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -5.857 5.497 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.920 5.429 9.541 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.248 6.065 10.492 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.170 3.617 11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.867 3.949 11.293 1.00 0.00 H new ATOM 195 N TRP A 16 -2.504 3.302 7.522 1.00 0.00 N ATOM 196 CA TRP A 16 -1.407 3.098 6.582 1.00 0.00 C ATOM 197 C TRP A 16 -1.913 2.490 5.279 1.00 0.00 C ATOM 198 O TRP A 16 -1.728 3.061 4.205 1.00 0.00 O ATOM 199 CB TRP A 16 -0.340 2.194 7.201 1.00 0.00 C ATOM 200 CG TRP A 16 0.462 2.868 8.273 1.00 0.00 C ATOM 201 CD1 TRP A 16 1.434 3.811 8.099 1.00 0.00 C ATOM 202 CD2 TRP A 16 0.360 2.649 9.685 1.00 0.00 C ATOM 203 NE1 TRP A 16 1.943 4.192 9.317 1.00 0.00 N ATOM 204 CE2 TRP A 16 1.301 3.494 10.306 1.00 0.00 C ATOM 205 CE3 TRP A 16 -0.434 1.824 10.484 1.00 0.00 C ATOM 206 CZ2 TRP A 16 1.467 3.534 11.688 1.00 0.00 C ATOM 207 CZ3 TRP A 16 -0.268 1.864 11.856 1.00 0.00 C ATOM 208 CH2 TRP A 16 0.675 2.715 12.446 1.00 0.00 C ATOM 0 H TRP A 16 -2.232 3.256 8.504 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.966 4.070 6.360 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.821 1.310 7.619 1.00 0.00 H new ATOM 0 HB3 TRP A 16 0.333 1.849 6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 16 1.755 4.200 7.144 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.680 4.883 9.462 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -1.165 1.166 10.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 2.195 4.188 12.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -0.876 1.228 12.483 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.779 2.725 13.521 1.00 0.00 H new ATOM 219 N ALA A 17 -2.552 1.329 5.381 1.00 0.00 N ATOM 220 CA ALA A 17 -3.086 0.646 4.210 1.00 0.00 C ATOM 221 C ALA A 17 -3.560 1.645 3.160 1.00 0.00 C ATOM 222 O ALA A 17 -3.046 1.676 2.042 1.00 0.00 O ATOM 223 CB ALA A 17 -4.225 -0.280 4.613 1.00 0.00 C ATOM 0 H ALA A 17 -2.712 0.842 6.263 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.286 0.050 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.615 -0.784 3.728 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.857 -1.023 5.321 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.020 0.302 5.079 1.00 0.00 H new ATOM 229 N SER A 18 -4.544 2.460 3.527 1.00 0.00 N ATOM 230 CA SER A 18 -5.091 3.457 2.615 1.00 0.00 C ATOM 231 C SER A 18 -4.028 4.482 2.230 1.00 0.00 C ATOM 232 O SER A 18 -3.869 4.818 1.055 1.00 0.00 O ATOM 233 CB SER A 18 -6.288 4.163 3.255 1.00 0.00 C ATOM 234 OG SER A 18 -7.494 3.470 2.982 1.00 0.00 O ATOM 0 H SER A 18 -4.979 2.449 4.450 1.00 0.00 H new ATOM 0 HA SER A 18 -5.421 2.944 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.140 4.232 4.333 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.357 5.183 2.877 1.00 0.00 H new ATOM 0 HG SER A 18 -8.244 3.940 3.403 1.00 0.00 H new ATOM 240 N LEU A 19 -3.303 4.975 3.227 1.00 0.00 N ATOM 241 CA LEU A 19 -2.254 5.962 2.995 1.00 0.00 C ATOM 242 C LEU A 19 -1.380 5.560 1.811 1.00 0.00 C ATOM 243 O LEU A 19 -0.855 6.414 1.095 1.00 0.00 O ATOM 244 CB LEU A 19 -1.392 6.124 4.249 1.00 0.00 C ATOM 245 CG LEU A 19 -2.022 6.907 5.400 1.00 0.00 C ATOM 246 CD1 LEU A 19 -1.094 6.925 6.605 1.00 0.00 C ATOM 247 CD2 LEU A 19 -2.356 8.325 4.961 1.00 0.00 C ATOM 0 H LEU A 19 -3.422 4.708 4.204 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.730 6.915 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.127 5.132 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.463 6.618 3.965 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.948 6.409 5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.560 7.487 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.905 5.903 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.151 7.398 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.804 8.868 5.794 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.444 8.832 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.059 8.292 4.129 1.00 0.00 H new ATOM 259 N LEU A 20 -1.230 4.256 1.610 1.00 0.00 N ATOM 260 CA LEU A 20 -0.421 3.739 0.511 1.00 0.00 C ATOM 261 C LEU A 20 -1.063 4.061 -0.835 1.00 0.00 C ATOM 262 O LEU A 20 -0.537 4.860 -1.610 1.00 0.00 O ATOM 263 CB LEU A 20 -0.238 2.227 0.653 1.00 0.00 C ATOM 264 CG LEU A 20 0.834 1.771 1.643 1.00 0.00 C ATOM 265 CD1 LEU A 20 0.368 1.989 3.074 1.00 0.00 C ATOM 266 CD2 LEU A 20 1.186 0.309 1.412 1.00 0.00 C ATOM 0 H LEU A 20 -1.658 3.537 2.193 1.00 0.00 H new ATOM 0 HA LEU A 20 0.555 4.222 0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.191 1.793 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.003 1.817 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 20 1.730 2.370 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.144 1.658 3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.168 3.048 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.543 1.417 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.951 0.002 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.296 -0.305 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.564 0.182 0.398 1.00 0.00 H new ATOM 278 N VAL A 21 -2.204 3.435 -1.106 1.00 0.00 N ATOM 279 CA VAL A 21 -2.919 3.657 -2.357 1.00 0.00 C ATOM 280 C VAL A 21 -3.330 5.118 -2.503 1.00 0.00 C ATOM 281 O VAL A 21 -3.765 5.547 -3.572 1.00 0.00 O ATOM 282 CB VAL A 21 -4.175 2.770 -2.450 1.00 0.00 C ATOM 283 CG1 VAL A 21 -3.818 1.311 -2.213 1.00 0.00 C ATOM 284 CG2 VAL A 21 -5.231 3.237 -1.458 1.00 0.00 C ATOM 0 H VAL A 21 -2.653 2.770 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.236 3.392 -3.164 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.588 2.859 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.718 0.700 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.099 0.985 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.380 1.200 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.112 2.600 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.830 3.179 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.508 4.268 -1.680 1.00 0.00 H new ATOM 294 N ARG A 22 -3.187 5.878 -1.422 1.00 0.00 N ATOM 295 CA ARG A 22 -3.544 7.291 -1.430 1.00 0.00 C ATOM 296 C ARG A 22 -2.397 8.138 -1.975 1.00 0.00 C ATOM 297 O ARG A 22 -2.617 9.100 -2.710 1.00 0.00 O ATOM 298 CB ARG A 22 -3.909 7.755 -0.019 1.00 0.00 C ATOM 299 CG ARG A 22 -5.210 7.165 0.499 1.00 0.00 C ATOM 300 CD ARG A 22 -6.409 7.992 0.063 1.00 0.00 C ATOM 301 NE ARG A 22 -7.587 7.164 -0.179 1.00 0.00 N ATOM 302 CZ ARG A 22 -8.710 7.623 -0.720 1.00 0.00 C ATOM 303 NH1 ARG A 22 -8.807 8.897 -1.073 1.00 0.00 N ATOM 304 NH2 ARG A 22 -9.739 6.807 -0.908 1.00 0.00 N ATOM 0 H ARG A 22 -2.827 5.539 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.409 7.418 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.102 7.487 0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.985 8.842 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.319 6.144 0.134 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.179 7.112 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.637 8.732 0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.159 8.541 -0.845 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.545 6.179 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.018 9.527 -0.929 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.670 9.247 -1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.668 5.826 -0.637 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.601 7.160 -1.323 1.00 0.00 H new ATOM 318 N GLY A 23 -1.173 7.774 -1.608 1.00 0.00 N ATOM 319 CA GLY A 23 -0.010 8.510 -2.068 1.00 0.00 C ATOM 320 C GLY A 23 0.838 9.029 -0.923 1.00 0.00 C ATOM 321 O GLY A 23 1.861 9.678 -1.145 1.00 0.00 O ATOM 0 H GLY A 23 -0.965 6.982 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.597 7.864 -2.702 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.335 9.348 -2.685 1.00 0.00 H new ATOM 325 N ILE A 24 0.413 8.744 0.303 1.00 0.00 N ATOM 326 CA ILE A 24 1.140 9.186 1.485 1.00 0.00 C ATOM 327 C ILE A 24 2.253 8.208 1.844 1.00 0.00 C ATOM 328 O ILE A 24 3.399 8.604 2.058 1.00 0.00 O ATOM 329 CB ILE A 24 0.202 9.347 2.696 1.00 0.00 C ATOM 330 CG1 ILE A 24 -0.857 10.413 2.411 1.00 0.00 C ATOM 331 CG2 ILE A 24 1.001 9.705 3.941 1.00 0.00 C ATOM 332 CD1 ILE A 24 -2.122 9.858 1.795 1.00 0.00 C ATOM 0 H ILE A 24 -0.432 8.209 0.503 1.00 0.00 H new ATOM 0 HA ILE A 24 1.576 10.155 1.243 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.304 8.398 2.873 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.109 10.922 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.435 11.163 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.324 9.815 4.788 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.720 8.914 4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.531 10.643 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.828 10.670 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.884 9.374 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.567 9.129 2.472 1.00 0.00 H new ATOM 344 N LYS A 25 1.909 6.926 1.908 1.00 0.00 N ATOM 345 CA LYS A 25 2.878 5.888 2.238 1.00 0.00 C ATOM 346 C LYS A 25 3.567 5.368 0.980 1.00 0.00 C ATOM 347 O LYS A 25 2.919 4.824 0.086 1.00 0.00 O ATOM 348 CB LYS A 25 2.190 4.734 2.970 1.00 0.00 C ATOM 349 CG LYS A 25 3.160 3.760 3.617 1.00 0.00 C ATOM 350 CD LYS A 25 3.495 4.169 5.041 1.00 0.00 C ATOM 351 CE LYS A 25 3.772 2.958 5.919 1.00 0.00 C ATOM 352 NZ LYS A 25 4.693 3.287 7.042 1.00 0.00 N ATOM 0 H LYS A 25 0.965 6.581 1.735 1.00 0.00 H new ATOM 0 HA LYS A 25 3.634 6.325 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.532 5.142 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.560 4.192 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.727 2.760 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 25 4.075 3.711 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.366 4.824 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.668 4.742 5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.832 2.577 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.207 2.162 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.561 2.601 7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.677 3.247 6.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.486 4.244 7.392 1.00 0.00 H new ATOM 366 N ARG A 26 4.884 5.537 0.920 1.00 0.00 N ATOM 367 CA ARG A 26 5.660 5.084 -0.228 1.00 0.00 C ATOM 368 C ARG A 26 6.419 3.802 0.101 1.00 0.00 C ATOM 369 O ARG A 26 7.134 3.257 -0.741 1.00 0.00 O ATOM 370 CB ARG A 26 6.642 6.172 -0.668 1.00 0.00 C ATOM 371 CG ARG A 26 7.820 5.641 -1.468 1.00 0.00 C ATOM 372 CD ARG A 26 8.673 6.772 -2.022 1.00 0.00 C ATOM 373 NE ARG A 26 9.317 6.407 -3.281 1.00 0.00 N ATOM 374 CZ ARG A 26 10.428 6.979 -3.730 1.00 0.00 C ATOM 375 NH1 ARG A 26 11.016 7.937 -3.027 1.00 0.00 N ATOM 376 NH2 ARG A 26 10.954 6.592 -4.885 1.00 0.00 N ATOM 0 H ARG A 26 5.435 5.984 1.652 1.00 0.00 H new ATOM 0 HA ARG A 26 4.968 4.877 -1.044 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.109 6.910 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.017 6.690 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.432 4.999 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.455 5.024 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.050 7.653 -2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.435 7.043 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 26 8.890 5.673 -3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.615 8.237 -2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.869 8.374 -3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 26 10.505 5.855 -5.428 1.00 0.00 H new ATOM 0 HH22 ARG A 26 11.807 7.032 -5.230 1.00 0.00 H new ATOM 390 N VAL A 27 6.259 3.324 1.331 1.00 0.00 N ATOM 391 CA VAL A 27 6.927 2.106 1.771 1.00 0.00 C ATOM 392 C VAL A 27 6.034 1.294 2.702 1.00 0.00 C ATOM 393 O VAL A 27 5.138 1.837 3.347 1.00 0.00 O ATOM 394 CB VAL A 27 8.251 2.421 2.493 1.00 0.00 C ATOM 395 CG1 VAL A 27 9.186 3.197 1.579 1.00 0.00 C ATOM 396 CG2 VAL A 27 7.986 3.193 3.777 1.00 0.00 C ATOM 0 H VAL A 27 5.672 3.763 2.041 1.00 0.00 H new ATOM 0 HA VAL A 27 7.140 1.522 0.876 1.00 0.00 H new ATOM 0 HB VAL A 27 8.735 1.480 2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.116 3.410 2.106 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.401 2.604 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.713 4.134 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.932 3.407 4.274 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.480 4.129 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.356 2.596 4.437 1.00 0.00 H new ATOM 406 N GLU A 28 6.286 -0.010 2.768 1.00 0.00 N ATOM 407 CA GLU A 28 5.503 -0.896 3.621 1.00 0.00 C ATOM 408 C GLU A 28 6.400 -1.620 4.621 1.00 0.00 C ATOM 409 O GLU A 28 7.583 -1.838 4.366 1.00 0.00 O ATOM 410 CB GLU A 28 4.741 -1.915 2.772 1.00 0.00 C ATOM 411 CG GLU A 28 3.390 -2.301 3.350 1.00 0.00 C ATOM 412 CD GLU A 28 3.510 -3.217 4.553 1.00 0.00 C ATOM 413 OE1 GLU A 28 4.600 -3.792 4.753 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.514 -3.360 5.293 1.00 0.00 O ATOM 0 H GLU A 28 7.025 -0.475 2.242 1.00 0.00 H new ATOM 0 HA GLU A 28 4.788 -0.288 4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.595 -1.506 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.350 -2.812 2.663 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.851 -1.398 3.638 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.797 -2.795 2.580 1.00 0.00 H new ATOM 421 N GLY A 29 5.825 -1.991 5.761 1.00 0.00 N ATOM 422 CA GLY A 29 6.586 -2.686 6.783 1.00 0.00 C ATOM 423 C GLY A 29 6.151 -4.128 6.950 1.00 0.00 C ATOM 424 O GLY A 29 4.962 -4.411 7.101 1.00 0.00 O ATOM 0 H GLY A 29 4.847 -1.823 5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.645 -2.657 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.474 -2.164 7.733 1.00 0.00 H new ATOM 428 N ARG A 30 7.115 -5.043 6.922 1.00 0.00 N ATOM 429 CA ARG A 30 6.824 -6.464 7.068 1.00 0.00 C ATOM 430 C ARG A 30 7.982 -7.189 7.749 1.00 0.00 C ATOM 431 O ARG A 30 9.147 -6.848 7.543 1.00 0.00 O ATOM 432 CB ARG A 30 6.547 -7.093 5.702 1.00 0.00 C ATOM 433 CG ARG A 30 5.111 -6.924 5.233 1.00 0.00 C ATOM 434 CD ARG A 30 4.121 -7.260 6.337 1.00 0.00 C ATOM 435 NE ARG A 30 2.785 -7.528 5.811 1.00 0.00 N ATOM 436 CZ ARG A 30 1.691 -7.558 6.564 1.00 0.00 C ATOM 437 NH1 ARG A 30 1.774 -7.336 7.869 1.00 0.00 N ATOM 438 NH2 ARG A 30 0.511 -7.808 6.012 1.00 0.00 N ATOM 0 H ARG A 30 8.104 -4.825 6.800 1.00 0.00 H new ATOM 0 HA ARG A 30 5.937 -6.565 7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.216 -6.649 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.783 -8.156 5.747 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.954 -5.897 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.930 -7.568 4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.475 -8.131 6.889 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.073 -6.433 7.045 1.00 0.00 H new ATOM 0 HE ARG A 30 2.687 -7.702 4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.679 -7.142 8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.932 -7.360 8.445 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.443 -7.977 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.328 -7.831 6.591 1.00 0.00 H new ATOM 452 N SER A 31 7.653 -8.189 8.559 1.00 0.00 N ATOM 453 CA SER A 31 8.664 -8.959 9.273 1.00 0.00 C ATOM 454 C SER A 31 9.243 -10.054 8.382 1.00 0.00 C ATOM 455 O SER A 31 9.844 -11.012 8.868 1.00 0.00 O ATOM 456 CB SER A 31 8.066 -9.578 10.538 1.00 0.00 C ATOM 457 OG SER A 31 6.939 -10.379 10.230 1.00 0.00 O ATOM 0 H SER A 31 6.693 -8.485 8.737 1.00 0.00 H new ATOM 0 HA SER A 31 9.469 -8.281 9.555 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.820 -10.183 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.776 -8.788 11.231 1.00 0.00 H new ATOM 0 HG SER A 31 6.576 -10.764 11.055 1.00 0.00 H new ATOM 463 N TRP A 32 9.057 -9.904 7.076 1.00 0.00 N ATOM 464 CA TRP A 32 9.560 -10.880 6.115 1.00 0.00 C ATOM 465 C TRP A 32 10.034 -10.193 4.839 1.00 0.00 C ATOM 466 O TRP A 32 9.736 -9.022 4.606 1.00 0.00 O ATOM 467 CB TRP A 32 8.475 -11.906 5.784 1.00 0.00 C ATOM 468 CG TRP A 32 7.099 -11.316 5.722 1.00 0.00 C ATOM 469 CD1 TRP A 32 6.299 -10.988 6.779 1.00 0.00 C ATOM 470 CD2 TRP A 32 6.360 -10.988 4.540 1.00 0.00 C ATOM 471 NE1 TRP A 32 5.108 -10.474 6.326 1.00 0.00 N ATOM 472 CE2 TRP A 32 5.121 -10.463 4.956 1.00 0.00 C ATOM 473 CE3 TRP A 32 6.626 -11.084 3.172 1.00 0.00 C ATOM 474 CZ2 TRP A 32 4.151 -10.038 4.052 1.00 0.00 C ATOM 475 CZ3 TRP A 32 5.662 -10.662 2.275 1.00 0.00 C ATOM 476 CH2 TRP A 32 4.438 -10.143 2.718 1.00 0.00 C ATOM 0 H TRP A 32 8.562 -9.116 6.658 1.00 0.00 H new ATOM 0 HA TRP A 32 10.409 -11.393 6.566 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.706 -12.372 4.826 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.490 -12.696 6.535 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.564 -11.114 7.818 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.339 -10.153 6.914 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.567 -11.481 2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.206 -9.640 4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 5.856 -10.734 1.215 1.00 0.00 H new ATOM 0 HH2 TRP A 32 3.707 -9.819 1.992 1.00 0.00 H new ATOM 487 N TYR A 33 10.773 -10.929 4.017 1.00 0.00 N ATOM 488 CA TYR A 33 11.291 -10.389 2.765 1.00 0.00 C ATOM 489 C TYR A 33 10.513 -10.938 1.572 1.00 0.00 C ATOM 490 O TYR A 33 10.151 -12.115 1.540 1.00 0.00 O ATOM 491 CB TYR A 33 12.776 -10.722 2.617 1.00 0.00 C ATOM 492 CG TYR A 33 13.469 -9.928 1.532 1.00 0.00 C ATOM 493 CD1 TYR A 33 13.152 -10.120 0.193 1.00 0.00 C ATOM 494 CD2 TYR A 33 14.441 -8.986 1.847 1.00 0.00 C ATOM 495 CE1 TYR A 33 13.784 -9.398 -0.801 1.00 0.00 C ATOM 496 CE2 TYR A 33 15.076 -8.259 0.859 1.00 0.00 C ATOM 497 CZ TYR A 33 14.744 -8.468 -0.463 1.00 0.00 C ATOM 498 OH TYR A 33 15.376 -7.746 -1.450 1.00 0.00 O ATOM 0 H TYR A 33 11.027 -11.901 4.195 1.00 0.00 H new ATOM 0 HA TYR A 33 11.169 -9.306 2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 33 13.278 -10.538 3.567 1.00 0.00 H new ATOM 0 HB3 TYR A 33 12.882 -11.785 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.399 -10.846 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 33 14.704 -8.820 2.881 1.00 0.00 H new ATOM 0 HE1 TYR A 33 13.527 -9.561 -1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.829 -7.530 1.121 1.00 0.00 H new ATOM 0 HH TYR A 33 15.287 -6.788 -1.263 1.00 0.00 H new ATOM 508 N THR A 34 10.261 -10.077 0.591 1.00 0.00 N ATOM 509 CA THR A 34 9.527 -10.474 -0.604 1.00 0.00 C ATOM 510 C THR A 34 10.202 -9.945 -1.864 1.00 0.00 C ATOM 511 O THR A 34 10.123 -8.760 -2.189 1.00 0.00 O ATOM 512 CB THR A 34 8.072 -9.969 -0.563 1.00 0.00 C ATOM 513 OG1 THR A 34 7.395 -10.328 -1.772 1.00 0.00 O ATOM 514 CG2 THR A 34 8.029 -8.459 -0.381 1.00 0.00 C ATOM 0 H THR A 34 10.555 -9.100 0.601 1.00 0.00 H new ATOM 0 HA THR A 34 9.525 -11.564 -0.627 1.00 0.00 H new ATOM 0 HB THR A 34 7.572 -10.436 0.285 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.255 -11.298 -1.793 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.992 -8.125 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.520 -8.191 0.555 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.544 -7.978 -1.212 1.00 0.00 H new ATOM 522 N PRO A 35 10.881 -10.843 -2.593 1.00 0.00 N ATOM 523 CA PRO A 35 11.582 -10.489 -3.831 1.00 0.00 C ATOM 524 C PRO A 35 10.620 -10.150 -4.965 1.00 0.00 C ATOM 525 O PRO A 35 11.042 -9.876 -6.089 1.00 0.00 O ATOM 526 CB PRO A 35 12.375 -11.755 -4.164 1.00 0.00 C ATOM 527 CG PRO A 35 11.616 -12.860 -3.514 1.00 0.00 C ATOM 528 CD PRO A 35 11.017 -12.272 -2.266 1.00 0.00 C ATOM 0 HA PRO A 35 12.202 -9.601 -3.709 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.447 -11.905 -5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.394 -11.696 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.840 -13.243 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 35 12.272 -13.697 -3.275 1.00 0.00 H new ATOM 0 HD2 PRO A 35 10.053 -12.724 -2.031 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.661 -12.427 -1.400 1.00 0.00 H new ATOM 536 N HIS A 36 9.326 -10.169 -4.663 1.00 0.00 N ATOM 537 CA HIS A 36 8.304 -9.862 -5.658 1.00 0.00 C ATOM 538 C HIS A 36 8.454 -8.432 -6.167 1.00 0.00 C ATOM 539 O HIS A 36 8.227 -7.473 -5.429 1.00 0.00 O ATOM 540 CB HIS A 36 6.909 -10.061 -5.065 1.00 0.00 C ATOM 541 CG HIS A 36 5.839 -9.297 -5.781 1.00 0.00 C ATOM 542 ND1 HIS A 36 5.108 -9.823 -6.825 1.00 0.00 N ATOM 543 CD2 HIS A 36 5.376 -8.038 -5.597 1.00 0.00 C ATOM 544 CE1 HIS A 36 4.244 -8.921 -7.254 1.00 0.00 C ATOM 545 NE2 HIS A 36 4.386 -7.829 -6.525 1.00 0.00 N ATOM 0 H HIS A 36 8.960 -10.394 -3.738 1.00 0.00 H new ATOM 0 HA HIS A 36 8.434 -10.544 -6.499 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.662 -11.122 -5.087 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.922 -9.758 -4.018 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.721 -7.330 -4.858 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.541 -9.054 -8.063 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.847 -6.970 -6.634 1.00 0.00 H new ATOM 553 N ARG A 37 8.838 -8.296 -7.432 1.00 0.00 N ATOM 554 CA ARG A 37 9.020 -6.983 -8.039 1.00 0.00 C ATOM 555 C ARG A 37 7.998 -6.750 -9.147 1.00 0.00 C ATOM 556 O ARG A 37 7.922 -7.516 -10.107 1.00 0.00 O ATOM 557 CB ARG A 37 10.437 -6.849 -8.600 1.00 0.00 C ATOM 558 CG ARG A 37 11.526 -7.010 -7.552 1.00 0.00 C ATOM 559 CD ARG A 37 11.616 -5.788 -6.651 1.00 0.00 C ATOM 560 NE ARG A 37 11.930 -6.148 -5.271 1.00 0.00 N ATOM 561 CZ ARG A 37 13.059 -6.745 -4.906 1.00 0.00 C ATOM 562 NH1 ARG A 37 13.977 -7.048 -5.814 1.00 0.00 N ATOM 563 NH2 ARG A 37 13.272 -7.040 -3.630 1.00 0.00 N ATOM 0 H ARG A 37 9.029 -9.079 -8.057 1.00 0.00 H new ATOM 0 HA ARG A 37 8.870 -6.229 -7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.582 -7.597 -9.380 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.541 -5.872 -9.072 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.324 -7.895 -6.948 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.485 -7.172 -8.044 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.381 -5.112 -7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.670 -5.247 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 37 11.245 -5.929 -4.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.817 -6.823 -6.796 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.843 -7.506 -5.530 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.569 -6.808 -2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.139 -7.498 -3.350 1.00 0.00 H new ATOM 577 N GLY A 38 7.212 -5.686 -9.007 1.00 0.00 N ATOM 578 CA GLY A 38 6.205 -5.372 -10.003 1.00 0.00 C ATOM 579 C GLY A 38 4.988 -4.696 -9.403 1.00 0.00 C ATOM 580 O GLY A 38 5.108 -3.680 -8.718 1.00 0.00 O ATOM 0 H GLY A 38 7.255 -5.037 -8.222 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.640 -4.723 -10.763 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.897 -6.289 -10.505 1.00 0.00 H new ATOM 584 N ARG A 39 3.812 -5.260 -9.661 1.00 0.00 N ATOM 585 CA ARG A 39 2.568 -4.703 -9.144 1.00 0.00 C ATOM 586 C ARG A 39 2.110 -5.459 -7.900 1.00 0.00 C ATOM 587 O ARG A 39 2.260 -6.678 -7.811 1.00 0.00 O ATOM 588 CB ARG A 39 1.477 -4.755 -10.216 1.00 0.00 C ATOM 589 CG ARG A 39 0.463 -3.627 -10.107 1.00 0.00 C ATOM 590 CD ARG A 39 -0.853 -3.996 -10.773 1.00 0.00 C ATOM 591 NE ARG A 39 -0.771 -3.918 -12.229 1.00 0.00 N ATOM 592 CZ ARG A 39 -0.453 -4.949 -13.004 1.00 0.00 C ATOM 593 NH1 ARG A 39 -0.189 -6.132 -12.464 1.00 0.00 N ATOM 594 NH2 ARG A 39 -0.399 -4.799 -14.321 1.00 0.00 N ATOM 0 H ARG A 39 3.695 -6.102 -10.225 1.00 0.00 H new ATOM 0 HA ARG A 39 2.750 -3.664 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.944 -4.719 -11.200 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.955 -5.709 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.288 -3.394 -9.057 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.867 -2.727 -10.570 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.137 -5.007 -10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.638 -3.329 -10.418 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.969 -3.023 -12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.230 -6.251 -11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.055 -6.922 -13.061 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.602 -3.891 -14.740 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.155 -5.591 -14.915 1.00 0.00 H new ATOM 608 N LEU A 40 1.551 -4.727 -6.942 1.00 0.00 N ATOM 609 CA LEU A 40 1.071 -5.328 -5.702 1.00 0.00 C ATOM 610 C LEU A 40 -0.196 -4.632 -5.215 1.00 0.00 C ATOM 611 O LEU A 40 -0.160 -3.472 -4.805 1.00 0.00 O ATOM 612 CB LEU A 40 2.154 -5.253 -4.624 1.00 0.00 C ATOM 613 CG LEU A 40 1.975 -6.188 -3.428 1.00 0.00 C ATOM 614 CD1 LEU A 40 1.848 -7.631 -3.892 1.00 0.00 C ATOM 615 CD2 LEU A 40 3.136 -6.039 -2.456 1.00 0.00 C ATOM 0 H LEU A 40 1.419 -3.717 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 40 0.836 -6.374 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.116 -5.469 -5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.201 -4.228 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 40 1.056 -5.912 -2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.721 -8.282 -3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.983 -7.727 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.749 -7.919 -4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.992 -6.712 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.069 -6.287 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.181 -5.011 -2.097 1.00 0.00 H new ATOM 627 N TRP A 41 -1.313 -5.349 -5.262 1.00 0.00 N ATOM 628 CA TRP A 41 -2.591 -4.801 -4.824 1.00 0.00 C ATOM 629 C TRP A 41 -2.638 -4.677 -3.305 1.00 0.00 C ATOM 630 O TRP A 41 -2.479 -5.665 -2.587 1.00 0.00 O ATOM 631 CB TRP A 41 -3.742 -5.684 -5.311 1.00 0.00 C ATOM 632 CG TRP A 41 -3.850 -5.747 -6.805 1.00 0.00 C ATOM 633 CD1 TRP A 41 -3.310 -6.694 -7.627 1.00 0.00 C ATOM 634 CD2 TRP A 41 -4.541 -4.823 -7.653 1.00 0.00 C ATOM 635 NE1 TRP A 41 -3.623 -6.415 -8.935 1.00 0.00 N ATOM 636 CE2 TRP A 41 -4.378 -5.273 -8.978 1.00 0.00 C ATOM 637 CE3 TRP A 41 -5.282 -3.661 -7.423 1.00 0.00 C ATOM 638 CZ2 TRP A 41 -4.928 -4.599 -10.066 1.00 0.00 C ATOM 639 CZ3 TRP A 41 -5.827 -2.994 -8.503 1.00 0.00 C ATOM 640 CH2 TRP A 41 -5.649 -3.464 -9.811 1.00 0.00 C ATOM 0 H TRP A 41 -1.359 -6.311 -5.599 1.00 0.00 H new ATOM 0 HA TRP A 41 -2.698 -3.806 -5.255 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -3.607 -6.693 -4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.679 -5.306 -4.902 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.723 -7.538 -7.297 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.339 -6.969 -9.743 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.426 -3.291 -6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -4.790 -4.959 -11.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.401 -2.094 -8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -6.089 -2.920 -10.634 1.00 0.00 H new ATOM 651 N ILE A 42 -2.857 -3.459 -2.822 1.00 0.00 N ATOM 652 CA ILE A 42 -2.926 -3.208 -1.388 1.00 0.00 C ATOM 653 C ILE A 42 -4.363 -3.292 -0.883 1.00 0.00 C ATOM 654 O ILE A 42 -5.267 -2.676 -1.447 1.00 0.00 O ATOM 655 CB ILE A 42 -2.349 -1.826 -1.030 1.00 0.00 C ATOM 656 CG1 ILE A 42 -0.911 -1.702 -1.538 1.00 0.00 C ATOM 657 CG2 ILE A 42 -2.406 -1.601 0.474 1.00 0.00 C ATOM 658 CD1 ILE A 42 0.017 -2.763 -0.989 1.00 0.00 C ATOM 0 H ILE A 42 -2.990 -2.631 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.327 -3.980 -0.904 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.954 -1.060 -1.516 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.912 -1.760 -2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.524 -0.719 -1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.995 -0.620 0.711 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.442 -1.651 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.823 -2.371 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.019 -2.614 -1.391 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.048 -2.692 0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.347 -3.749 -1.278 1.00 0.00 H new ATOM 670 N ALA A 43 -4.565 -4.057 0.185 1.00 0.00 N ATOM 671 CA ALA A 43 -5.891 -4.219 0.768 1.00 0.00 C ATOM 672 C ALA A 43 -5.873 -3.922 2.264 1.00 0.00 C ATOM 673 O ALA A 43 -4.917 -4.260 2.962 1.00 0.00 O ATOM 674 CB ALA A 43 -6.411 -5.626 0.514 1.00 0.00 C ATOM 0 H ALA A 43 -3.827 -4.574 0.664 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.561 -3.504 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.402 -5.733 0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.471 -5.804 -0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.733 -6.351 0.965 1.00 0.00 H new ATOM 680 N ALA A 44 -6.934 -3.286 2.749 1.00 0.00 N ATOM 681 CA ALA A 44 -7.040 -2.944 4.162 1.00 0.00 C ATOM 682 C ALA A 44 -7.390 -4.170 4.999 1.00 0.00 C ATOM 683 O ALA A 44 -8.411 -4.820 4.770 1.00 0.00 O ATOM 684 CB ALA A 44 -8.077 -1.850 4.364 1.00 0.00 C ATOM 0 H ALA A 44 -7.733 -2.997 2.184 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.070 -2.575 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.145 -1.605 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.783 -0.962 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.047 -2.198 4.009 1.00 0.00 H new ATOM 690 N THR A 45 -6.538 -4.482 5.970 1.00 0.00 N ATOM 691 CA THR A 45 -6.757 -5.631 6.839 1.00 0.00 C ATOM 692 C THR A 45 -8.084 -5.514 7.581 1.00 0.00 C ATOM 693 O THR A 45 -8.782 -4.507 7.468 1.00 0.00 O ATOM 694 CB THR A 45 -5.619 -5.783 7.867 1.00 0.00 C ATOM 695 OG1 THR A 45 -5.429 -4.552 8.572 1.00 0.00 O ATOM 696 CG2 THR A 45 -4.322 -6.187 7.182 1.00 0.00 C ATOM 0 H THR A 45 -5.689 -3.955 6.174 1.00 0.00 H new ATOM 0 HA THR A 45 -6.778 -6.512 6.198 1.00 0.00 H new ATOM 0 HB THR A 45 -5.898 -6.566 8.572 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.781 -4.686 9.295 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.533 -6.288 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.462 -7.139 6.670 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.040 -5.423 6.457 1.00 0.00 H new ATOM 704 N ALA A 46 -8.425 -6.551 8.339 1.00 0.00 N ATOM 705 CA ALA A 46 -9.668 -6.563 9.101 1.00 0.00 C ATOM 706 C ALA A 46 -9.590 -5.614 10.293 1.00 0.00 C ATOM 707 O ALA A 46 -10.610 -5.258 10.884 1.00 0.00 O ATOM 708 CB ALA A 46 -9.986 -7.975 9.569 1.00 0.00 C ATOM 0 H ALA A 46 -7.859 -7.393 8.442 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.470 -6.219 8.447 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.917 -7.969 10.137 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.093 -8.630 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.177 -8.339 10.202 1.00 0.00 H new ATOM 714 N LYS A 47 -8.374 -5.208 10.641 1.00 0.00 N ATOM 715 CA LYS A 47 -8.162 -4.299 11.762 1.00 0.00 C ATOM 716 C LYS A 47 -8.599 -2.882 11.404 1.00 0.00 C ATOM 717 O LYS A 47 -8.440 -2.441 10.265 1.00 0.00 O ATOM 718 CB LYS A 47 -6.688 -4.301 12.175 1.00 0.00 C ATOM 719 CG LYS A 47 -6.318 -3.164 13.112 1.00 0.00 C ATOM 720 CD LYS A 47 -4.843 -2.815 13.008 1.00 0.00 C ATOM 721 CE LYS A 47 -4.605 -1.689 12.014 1.00 0.00 C ATOM 722 NZ LYS A 47 -3.413 -0.873 12.374 1.00 0.00 N ATOM 0 H LYS A 47 -7.520 -5.494 10.163 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.768 -4.646 12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.456 -5.250 12.659 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.068 -4.240 11.280 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.918 -2.286 12.875 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.555 -3.445 14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.468 -2.522 13.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.280 -3.697 12.702 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.470 -2.108 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.485 -1.048 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.255 -0.148 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.573 -0.412 13.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.577 -1.488 12.437 1.00 0.00 H new ATOM 736 N LYS A 48 -9.149 -2.173 12.383 1.00 0.00 N ATOM 737 CA LYS A 48 -9.607 -0.804 12.173 1.00 0.00 C ATOM 738 C LYS A 48 -8.612 0.197 12.751 1.00 0.00 C ATOM 739 O LYS A 48 -8.082 0.020 13.848 1.00 0.00 O ATOM 740 CB LYS A 48 -10.982 -0.600 12.813 1.00 0.00 C ATOM 741 CG LYS A 48 -10.980 -0.769 14.323 1.00 0.00 C ATOM 742 CD LYS A 48 -11.442 -2.158 14.729 1.00 0.00 C ATOM 743 CE LYS A 48 -11.398 -2.341 16.239 1.00 0.00 C ATOM 744 NZ LYS A 48 -12.189 -3.524 16.677 1.00 0.00 N ATOM 0 H LYS A 48 -9.289 -2.523 13.331 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.684 -0.634 11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.343 0.399 12.568 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.685 -1.309 12.377 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.976 -0.591 14.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.632 -0.021 14.775 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.458 -2.324 14.371 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.810 -2.907 14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.363 -2.457 16.561 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.785 -1.445 16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.134 -3.615 17.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.182 -3.402 16.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.804 -4.382 16.233 1.00 0.00 H new ATOM 758 N PRO A 49 -8.351 1.275 11.997 1.00 0.00 N ATOM 759 CA PRO A 49 -7.419 2.327 12.415 1.00 0.00 C ATOM 760 C PRO A 49 -7.959 3.150 13.580 1.00 0.00 C ATOM 761 O PRO A 49 -9.086 3.643 13.534 1.00 0.00 O ATOM 762 CB PRO A 49 -7.281 3.197 11.164 1.00 0.00 C ATOM 763 CG PRO A 49 -8.545 2.975 10.407 1.00 0.00 C ATOM 764 CD PRO A 49 -8.945 1.551 10.678 1.00 0.00 C ATOM 0 HA PRO A 49 -6.474 1.916 12.771 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -7.155 4.248 11.425 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.411 2.908 10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.322 3.667 10.732 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -8.396 3.142 9.340 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.029 1.434 10.693 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.562 0.874 9.915 1.00 0.00 H new ATOM 772 N SER A 50 -7.148 3.295 14.623 1.00 0.00 N ATOM 773 CA SER A 50 -7.546 4.056 15.801 1.00 0.00 C ATOM 774 C SER A 50 -7.547 5.553 15.506 1.00 0.00 C ATOM 775 O SER A 50 -6.863 6.034 14.603 1.00 0.00 O ATOM 776 CB SER A 50 -6.606 3.756 16.970 1.00 0.00 C ATOM 777 OG SER A 50 -6.845 2.462 17.497 1.00 0.00 O ATOM 0 H SER A 50 -6.211 2.895 14.676 1.00 0.00 H new ATOM 0 HA SER A 50 -8.558 3.756 16.072 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.571 3.831 16.637 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.744 4.502 17.753 1.00 0.00 H new ATOM 0 HG SER A 50 -6.231 2.293 18.242 1.00 0.00 H new ATOM 783 N PRO A 51 -8.334 6.308 16.287 1.00 0.00 N ATOM 784 CA PRO A 51 -8.444 7.762 16.130 1.00 0.00 C ATOM 785 C PRO A 51 -7.169 8.488 16.545 1.00 0.00 C ATOM 786 O PRO A 51 -7.037 9.694 16.339 1.00 0.00 O ATOM 787 CB PRO A 51 -9.599 8.133 17.063 1.00 0.00 C ATOM 788 CG PRO A 51 -9.619 7.053 18.089 1.00 0.00 C ATOM 789 CD PRO A 51 -9.177 5.802 17.383 1.00 0.00 C ATOM 0 HA PRO A 51 -8.608 8.049 15.091 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.441 9.110 17.520 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.544 8.183 16.522 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.952 7.290 18.918 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -10.618 6.932 18.509 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.619 5.142 18.047 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.026 5.232 17.006 1.00 0.00 H new ATOM 797 N GLN A 52 -6.235 7.745 17.130 1.00 0.00 N ATOM 798 CA GLN A 52 -4.971 8.320 17.575 1.00 0.00 C ATOM 799 C GLN A 52 -3.893 8.155 16.508 1.00 0.00 C ATOM 800 O GLN A 52 -3.056 9.036 16.317 1.00 0.00 O ATOM 801 CB GLN A 52 -4.518 7.663 18.880 1.00 0.00 C ATOM 802 CG GLN A 52 -5.002 8.388 20.125 1.00 0.00 C ATOM 803 CD GLN A 52 -3.996 9.398 20.641 1.00 0.00 C ATOM 804 OE1 GLN A 52 -3.498 10.247 19.750 1.00 0.00 O flip ATOM 805 NE2 GLN A 52 -3.668 9.414 21.828 1.00 0.00 N flip ATOM 0 H GLN A 52 -6.329 6.745 17.307 1.00 0.00 H new ATOM 0 HA GLN A 52 -5.126 9.385 17.748 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.880 6.635 18.904 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.429 7.618 18.896 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.940 8.896 19.903 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.212 7.658 20.907 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.076 8.743 22.479 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.989 10.098 22.160 1.00 0.00 H new ATOM 814 N GLU A 53 -3.920 7.019 15.817 1.00 0.00 N ATOM 815 CA GLU A 53 -2.944 6.739 14.771 1.00 0.00 C ATOM 816 C GLU A 53 -3.193 7.614 13.546 1.00 0.00 C ATOM 817 O GLU A 53 -2.257 8.143 12.947 1.00 0.00 O ATOM 818 CB GLU A 53 -2.997 5.261 14.376 1.00 0.00 C ATOM 819 CG GLU A 53 -2.282 4.343 15.352 1.00 0.00 C ATOM 820 CD GLU A 53 -3.148 3.963 16.537 1.00 0.00 C ATOM 821 OE1 GLU A 53 -3.353 4.819 17.423 1.00 0.00 O ATOM 822 OE2 GLU A 53 -3.622 2.808 16.578 1.00 0.00 O ATOM 0 H GLU A 53 -4.607 6.279 15.963 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.953 6.968 15.163 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.039 4.952 14.297 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.554 5.142 13.387 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.969 3.438 14.831 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.377 4.834 15.711 1.00 0.00 H new ATOM 829 N VAL A 54 -4.462 7.761 13.179 1.00 0.00 N ATOM 830 CA VAL A 54 -4.835 8.572 12.026 1.00 0.00 C ATOM 831 C VAL A 54 -4.481 10.038 12.248 1.00 0.00 C ATOM 832 O VAL A 54 -3.833 10.664 11.410 1.00 0.00 O ATOM 833 CB VAL A 54 -6.341 8.458 11.724 1.00 0.00 C ATOM 834 CG1 VAL A 54 -6.697 9.252 10.477 1.00 0.00 C ATOM 835 CG2 VAL A 54 -6.745 7.000 11.572 1.00 0.00 C ATOM 0 H VAL A 54 -5.249 7.329 13.663 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.272 8.191 11.174 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.895 8.878 12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.765 9.160 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.446 10.302 10.630 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.136 8.865 9.627 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.812 6.938 11.359 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.185 6.551 10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.528 6.464 12.496 1.00 0.00 H new ATOM 845 N SER A 55 -4.912 10.580 13.383 1.00 0.00 N ATOM 846 CA SER A 55 -4.643 11.974 13.714 1.00 0.00 C ATOM 847 C SER A 55 -3.143 12.228 13.822 1.00 0.00 C ATOM 848 O SER A 55 -2.632 13.222 13.307 1.00 0.00 O ATOM 849 CB SER A 55 -5.332 12.350 15.027 1.00 0.00 C ATOM 850 OG SER A 55 -5.607 13.739 15.079 1.00 0.00 O ATOM 0 H SER A 55 -5.449 10.075 14.088 1.00 0.00 H new ATOM 0 HA SER A 55 -5.041 12.595 12.912 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.261 11.788 15.128 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.697 12.070 15.868 1.00 0.00 H new ATOM 0 HG SER A 55 -6.049 13.953 15.927 1.00 0.00 H new ATOM 856 N GLU A 56 -2.443 11.320 14.496 1.00 0.00 N ATOM 857 CA GLU A 56 -1.001 11.446 14.673 1.00 0.00 C ATOM 858 C GLU A 56 -0.275 11.313 13.337 1.00 0.00 C ATOM 859 O GLU A 56 0.474 12.204 12.934 1.00 0.00 O ATOM 860 CB GLU A 56 -0.490 10.385 15.651 1.00 0.00 C ATOM 861 CG GLU A 56 -0.719 10.741 17.110 1.00 0.00 C ATOM 862 CD GLU A 56 0.347 10.171 18.024 1.00 0.00 C ATOM 863 OE1 GLU A 56 0.731 8.999 17.828 1.00 0.00 O ATOM 864 OE2 GLU A 56 0.798 10.896 18.936 1.00 0.00 O ATOM 0 H GLU A 56 -2.851 10.491 14.928 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.796 12.436 15.082 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.983 9.437 15.435 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.577 10.234 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.741 11.826 17.216 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.695 10.370 17.422 1.00 0.00 H new ATOM 871 N LEU A 57 -0.502 10.196 12.656 1.00 0.00 N ATOM 872 CA LEU A 57 0.130 9.945 11.365 1.00 0.00 C ATOM 873 C LEU A 57 -0.146 11.087 10.393 1.00 0.00 C ATOM 874 O LEU A 57 0.780 11.690 9.851 1.00 0.00 O ATOM 875 CB LEU A 57 -0.373 8.626 10.777 1.00 0.00 C ATOM 876 CG LEU A 57 0.044 7.357 11.521 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.703 6.149 10.976 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.548 7.147 11.418 1.00 0.00 C ATOM 0 H LEU A 57 -1.119 9.449 12.976 1.00 0.00 H new ATOM 0 HA LEU A 57 1.207 9.878 11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.462 8.660 10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.021 8.552 9.748 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.215 7.475 12.573 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.393 5.255 11.517 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.775 6.297 11.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.476 6.028 9.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.826 6.239 11.953 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.831 7.051 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.065 8.000 11.857 1.00 0.00 H new ATOM 890 N GLN A 58 -1.425 11.380 10.179 1.00 0.00 N ATOM 891 CA GLN A 58 -1.822 12.451 9.273 1.00 0.00 C ATOM 892 C GLN A 58 -0.863 13.633 9.374 1.00 0.00 C ATOM 893 O GLN A 58 -0.387 14.146 8.363 1.00 0.00 O ATOM 894 CB GLN A 58 -3.248 12.908 9.584 1.00 0.00 C ATOM 895 CG GLN A 58 -4.311 12.163 8.793 1.00 0.00 C ATOM 896 CD GLN A 58 -5.719 12.523 9.224 1.00 0.00 C ATOM 897 OE1 GLN A 58 -6.071 12.167 10.454 1.00 0.00 O flip ATOM 898 NE2 GLN A 58 -6.482 13.116 8.461 1.00 0.00 N flip ATOM 0 H GLN A 58 -2.203 10.891 10.621 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.786 12.064 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.439 12.775 10.649 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.333 13.975 9.376 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.192 12.385 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.162 11.090 8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.170 13.371 7.524 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.426 13.353 8.766 1.00 0.00 H new ATOM 907 N ALA A 59 -0.586 14.060 10.602 1.00 0.00 N ATOM 908 CA ALA A 59 0.317 15.180 10.835 1.00 0.00 C ATOM 909 C ALA A 59 1.772 14.759 10.658 1.00 0.00 C ATOM 910 O ALA A 59 2.562 15.463 10.029 1.00 0.00 O ATOM 911 CB ALA A 59 0.097 15.754 12.227 1.00 0.00 C ATOM 0 H ALA A 59 -0.974 13.647 11.450 1.00 0.00 H new ATOM 0 HA ALA A 59 0.097 15.951 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.778 16.590 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.932 16.101 12.319 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.287 14.982 12.973 1.00 0.00 H new ATOM 917 N THR A 60 2.122 13.605 11.219 1.00 0.00 N ATOM 918 CA THR A 60 3.482 13.091 11.125 1.00 0.00 C ATOM 919 C THR A 60 3.959 13.059 9.677 1.00 0.00 C ATOM 920 O THR A 60 5.015 13.601 9.350 1.00 0.00 O ATOM 921 CB THR A 60 3.589 11.674 11.720 1.00 0.00 C ATOM 922 OG1 THR A 60 3.531 11.737 13.149 1.00 0.00 O ATOM 923 CG2 THR A 60 4.885 11.003 11.289 1.00 0.00 C ATOM 0 H THR A 60 1.481 13.009 11.743 1.00 0.00 H new ATOM 0 HA THR A 60 4.116 13.767 11.699 1.00 0.00 H new ATOM 0 HB THR A 60 2.751 11.084 11.349 1.00 0.00 H new ATOM 0 HG1 THR A 60 2.606 11.893 13.432 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.939 10.004 11.721 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.913 10.930 10.202 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.733 11.594 11.635 1.00 0.00 H new ATOM 931 N TYR A 61 3.175 12.422 8.815 1.00 0.00 N ATOM 932 CA TYR A 61 3.519 12.319 7.402 1.00 0.00 C ATOM 933 C TYR A 61 3.474 13.687 6.729 1.00 0.00 C ATOM 934 O TYR A 61 4.311 14.002 5.882 1.00 0.00 O ATOM 935 CB TYR A 61 2.564 11.358 6.692 1.00 0.00 C ATOM 936 CG TYR A 61 2.979 9.907 6.792 1.00 0.00 C ATOM 937 CD1 TYR A 61 3.950 9.383 5.948 1.00 0.00 C ATOM 938 CD2 TYR A 61 2.399 9.061 7.729 1.00 0.00 C ATOM 939 CE1 TYR A 61 4.333 8.058 6.035 1.00 0.00 C ATOM 940 CE2 TYR A 61 2.776 7.736 7.824 1.00 0.00 C ATOM 941 CZ TYR A 61 3.743 7.239 6.975 1.00 0.00 C ATOM 942 OH TYR A 61 4.121 5.919 7.066 1.00 0.00 O ATOM 0 H TYR A 61 2.297 11.969 9.070 1.00 0.00 H new ATOM 0 HA TYR A 61 4.535 11.932 7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.566 11.472 7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.497 11.636 5.640 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.414 10.022 5.211 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.640 9.446 8.394 1.00 0.00 H new ATOM 0 HE1 TYR A 61 5.089 7.666 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 61 2.316 7.092 8.559 1.00 0.00 H new ATOM 0 HH TYR A 61 5.058 5.828 6.794 1.00 0.00 H new ATOM 952 N ARG A 62 2.492 14.496 7.113 1.00 0.00 N ATOM 953 CA ARG A 62 2.337 15.831 6.547 1.00 0.00 C ATOM 954 C ARG A 62 3.663 16.586 6.563 1.00 0.00 C ATOM 955 O ARG A 62 3.979 17.328 5.632 1.00 0.00 O ATOM 956 CB ARG A 62 1.281 16.618 7.324 1.00 0.00 C ATOM 957 CG ARG A 62 -0.117 16.503 6.740 1.00 0.00 C ATOM 958 CD ARG A 62 -1.151 17.170 7.633 1.00 0.00 C ATOM 959 NE ARG A 62 -2.398 17.439 6.921 1.00 0.00 N ATOM 960 CZ ARG A 62 -3.264 18.378 7.286 1.00 0.00 C ATOM 961 NH1 ARG A 62 -3.020 19.133 8.348 1.00 0.00 N ATOM 962 NH2 ARG A 62 -4.376 18.564 6.587 1.00 0.00 N ATOM 0 H ARG A 62 1.792 14.251 7.813 1.00 0.00 H new ATOM 0 HA ARG A 62 2.012 15.724 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.265 16.267 8.356 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.569 17.669 7.350 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.138 16.962 5.752 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -0.372 15.451 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.355 16.530 8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.746 18.105 8.021 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.616 16.875 6.099 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.165 18.994 8.887 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.687 19.853 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.567 17.986 5.769 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.040 19.285 6.868 1.00 0.00 H new ATOM 976 N LEU A 63 4.436 16.391 7.626 1.00 0.00 N ATOM 977 CA LEU A 63 5.728 17.054 7.764 1.00 0.00 C ATOM 978 C LEU A 63 6.829 16.249 7.079 1.00 0.00 C ATOM 979 O LEU A 63 7.919 16.761 6.823 1.00 0.00 O ATOM 980 CB LEU A 63 6.068 17.249 9.242 1.00 0.00 C ATOM 981 CG LEU A 63 4.971 17.871 10.107 1.00 0.00 C ATOM 982 CD1 LEU A 63 5.361 17.828 11.576 1.00 0.00 C ATOM 983 CD2 LEU A 63 4.693 19.302 9.668 1.00 0.00 C ATOM 0 H LEU A 63 4.191 15.779 8.405 1.00 0.00 H new ATOM 0 HA LEU A 63 5.662 18.029 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.330 16.279 9.665 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.956 17.877 9.310 1.00 0.00 H new ATOM 0 HG LEU A 63 4.059 17.289 9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.568 18.275 12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.509 16.793 11.883 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.286 18.386 11.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.910 19.729 10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.601 19.896 9.767 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.368 19.307 8.627 1.00 0.00 H new ATOM 995 N LEU A 64 6.535 14.988 6.783 1.00 0.00 N ATOM 996 CA LEU A 64 7.498 14.112 6.126 1.00 0.00 C ATOM 997 C LEU A 64 7.437 14.275 4.610 1.00 0.00 C ATOM 998 O LEU A 64 8.434 14.080 3.914 1.00 0.00 O ATOM 999 CB LEU A 64 7.233 12.654 6.504 1.00 0.00 C ATOM 1000 CG LEU A 64 7.639 12.243 7.919 1.00 0.00 C ATOM 1001 CD1 LEU A 64 7.031 10.896 8.280 1.00 0.00 C ATOM 1002 CD2 LEU A 64 9.155 12.196 8.046 1.00 0.00 C ATOM 0 H LEU A 64 5.637 14.549 6.988 1.00 0.00 H new ATOM 0 HA LEU A 64 8.496 14.393 6.464 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.168 12.456 6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.760 12.015 5.796 1.00 0.00 H new ATOM 0 HG LEU A 64 7.258 12.989 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.331 10.620 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.944 10.962 8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.381 10.139 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.426 11.902 9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.557 11.471 7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.569 13.181 7.831 1.00 0.00 H new ATOM 1014 N ARG A 65 6.262 14.637 4.106 1.00 0.00 N ATOM 1015 CA ARG A 65 6.071 14.828 2.673 1.00 0.00 C ATOM 1016 C ARG A 65 5.570 16.238 2.375 1.00 0.00 C ATOM 1017 O ARG A 65 5.807 16.776 1.295 1.00 0.00 O ATOM 1018 CB ARG A 65 5.081 13.797 2.127 1.00 0.00 C ATOM 1019 CG ARG A 65 5.358 12.378 2.598 1.00 0.00 C ATOM 1020 CD ARG A 65 6.587 11.795 1.918 1.00 0.00 C ATOM 1021 NE ARG A 65 7.809 12.065 2.671 1.00 0.00 N ATOM 1022 CZ ARG A 65 9.021 12.064 2.129 1.00 0.00 C ATOM 1023 NH1 ARG A 65 9.173 11.810 0.837 1.00 0.00 N ATOM 1024 NH2 ARG A 65 10.085 12.319 2.880 1.00 0.00 N ATOM 0 H ARG A 65 5.428 14.804 4.669 1.00 0.00 H new ATOM 0 HA ARG A 65 7.034 14.692 2.182 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.072 14.080 2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.108 13.821 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.502 12.374 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.493 11.749 2.390 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.462 10.718 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.679 12.213 0.916 1.00 0.00 H new ATOM 0 HE ARG A 65 7.727 12.265 3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.358 11.615 0.256 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.105 11.810 0.423 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.972 12.516 3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.016 12.318 2.463 1.00 0.00 H new ATOM 1038 N GLY A 66 4.874 16.830 3.341 1.00 0.00 N ATOM 1039 CA GLY A 66 4.349 18.171 3.162 1.00 0.00 C ATOM 1040 C GLY A 66 2.871 18.263 3.483 1.00 0.00 C ATOM 1041 O GLY A 66 2.068 17.475 2.983 1.00 0.00 O ATOM 0 H GLY A 66 4.664 16.405 4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.900 18.862 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.514 18.488 2.132 1.00 0.00 H new ATOM 1045 N LYS A 67 2.508 19.228 4.322 1.00 0.00 N ATOM 1046 CA LYS A 67 1.116 19.422 4.711 1.00 0.00 C ATOM 1047 C LYS A 67 0.197 19.346 3.496 1.00 0.00 C ATOM 1048 O LYS A 67 -1.003 19.101 3.628 1.00 0.00 O ATOM 1049 CB LYS A 67 0.944 20.771 5.411 1.00 0.00 C ATOM 1050 CG LYS A 67 1.110 21.963 4.485 1.00 0.00 C ATOM 1051 CD LYS A 67 -0.193 22.311 3.785 1.00 0.00 C ATOM 1052 CE LYS A 67 -0.947 23.406 4.523 1.00 0.00 C ATOM 1053 NZ LYS A 67 -1.804 22.853 5.609 1.00 0.00 N ATOM 0 H LYS A 67 3.160 19.888 4.746 1.00 0.00 H new ATOM 0 HA LYS A 67 0.843 18.624 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.045 20.811 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.671 20.846 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.458 22.823 5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.876 21.743 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.016 22.635 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.818 21.421 3.715 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.236 24.115 4.947 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.567 23.960 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.473 23.582 5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.332 22.032 5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.206 22.558 6.407 1.00 0.00 H new ATOM 1067 N ASP A 68 0.766 19.557 2.315 1.00 0.00 N ATOM 1068 CA ASP A 68 -0.003 19.511 1.076 1.00 0.00 C ATOM 1069 C ASP A 68 -0.416 18.080 0.747 1.00 0.00 C ATOM 1070 O ASP A 68 -1.024 17.822 -0.292 1.00 0.00 O ATOM 1071 CB ASP A 68 0.813 20.098 -0.077 1.00 0.00 C ATOM 1072 CG ASP A 68 2.282 19.735 0.009 1.00 0.00 C ATOM 1073 OD1 ASP A 68 2.602 18.698 0.626 1.00 0.00 O ATOM 1074 OD2 ASP A 68 3.113 20.491 -0.538 1.00 0.00 O ATOM 0 H ASP A 68 1.757 19.762 2.189 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.905 20.108 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.408 19.740 -1.024 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.709 21.183 -0.076 1.00 0.00 H new ATOM 1079 N VAL A 69 -0.082 17.152 1.639 1.00 0.00 N ATOM 1080 CA VAL A 69 -0.419 15.747 1.443 1.00 0.00 C ATOM 1081 C VAL A 69 -1.928 15.552 1.349 1.00 0.00 C ATOM 1082 O VAL A 69 -2.695 16.508 1.457 1.00 0.00 O ATOM 1083 CB VAL A 69 0.131 14.874 2.587 1.00 0.00 C ATOM 1084 CG1 VAL A 69 1.649 14.951 2.635 1.00 0.00 C ATOM 1085 CG2 VAL A 69 -0.476 15.295 3.917 1.00 0.00 C ATOM 0 H VAL A 69 0.422 17.348 2.504 1.00 0.00 H new ATOM 0 HA VAL A 69 0.043 15.438 0.505 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.150 13.838 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.019 14.328 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.061 14.596 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.956 15.984 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.076 14.668 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.228 16.337 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.559 15.182 3.875 1.00 0.00 H new ATOM 1095 N GLU A 70 -2.346 14.306 1.147 1.00 0.00 N ATOM 1096 CA GLU A 70 -3.765 13.986 1.038 1.00 0.00 C ATOM 1097 C GLU A 70 -4.168 12.944 2.078 1.00 0.00 C ATOM 1098 O GLU A 70 -3.321 12.382 2.772 1.00 0.00 O ATOM 1099 CB GLU A 70 -4.088 13.473 -0.367 1.00 0.00 C ATOM 1100 CG GLU A 70 -4.046 14.554 -1.434 1.00 0.00 C ATOM 1101 CD GLU A 70 -2.663 14.729 -2.032 1.00 0.00 C ATOM 1102 OE1 GLU A 70 -2.054 13.712 -2.424 1.00 0.00 O ATOM 1103 OE2 GLU A 70 -2.191 15.882 -2.107 1.00 0.00 O ATOM 0 H GLU A 70 -1.724 13.503 1.056 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.333 14.898 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.380 12.687 -0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.079 13.019 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.752 14.305 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.373 15.499 -1.001 1.00 0.00 H new ATOM 1110 N PHE A 71 -5.469 12.691 2.179 1.00 0.00 N ATOM 1111 CA PHE A 71 -5.986 11.717 3.134 1.00 0.00 C ATOM 1112 C PHE A 71 -7.395 11.274 2.749 1.00 0.00 C ATOM 1113 O PHE A 71 -8.219 12.066 2.291 1.00 0.00 O ATOM 1114 CB PHE A 71 -5.993 12.310 4.544 1.00 0.00 C ATOM 1115 CG PHE A 71 -4.619 12.539 5.105 1.00 0.00 C ATOM 1116 CD1 PHE A 71 -3.841 11.473 5.526 1.00 0.00 C ATOM 1117 CD2 PHE A 71 -4.105 13.822 5.211 1.00 0.00 C ATOM 1118 CE1 PHE A 71 -2.576 11.681 6.042 1.00 0.00 C ATOM 1119 CE2 PHE A 71 -2.840 14.036 5.726 1.00 0.00 C ATOM 1120 CZ PHE A 71 -2.075 12.964 6.143 1.00 0.00 C ATOM 0 H PHE A 71 -6.184 13.146 1.612 1.00 0.00 H new ATOM 0 HA PHE A 71 -5.332 10.845 3.117 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.533 13.257 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.541 11.641 5.208 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.228 10.467 5.450 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.699 14.664 4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.980 10.841 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.450 15.040 5.802 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.087 13.129 6.547 1.00 0.00 H new ATOM 1130 N PRO A 72 -7.679 9.977 2.938 1.00 0.00 N ATOM 1131 CA PRO A 72 -8.987 9.398 2.618 1.00 0.00 C ATOM 1132 C PRO A 72 -10.081 9.876 3.567 1.00 0.00 C ATOM 1133 O PRO A 72 -9.796 10.446 4.620 1.00 0.00 O ATOM 1134 CB PRO A 72 -8.758 7.893 2.782 1.00 0.00 C ATOM 1135 CG PRO A 72 -7.624 7.784 3.741 1.00 0.00 C ATOM 1136 CD PRO A 72 -6.745 8.976 3.480 1.00 0.00 C ATOM 0 HA PRO A 72 -9.328 9.686 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.649 7.397 3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.517 7.423 1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.982 7.781 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.075 6.854 3.592 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.264 9.328 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.951 8.742 2.771 1.00 0.00 H new ATOM 1144 N ASN A 73 -11.332 9.641 3.186 1.00 0.00 N ATOM 1145 CA ASN A 73 -12.469 10.048 4.004 1.00 0.00 C ATOM 1146 C ASN A 73 -12.846 8.952 4.996 1.00 0.00 C ATOM 1147 O ASN A 73 -13.399 9.228 6.061 1.00 0.00 O ATOM 1148 CB ASN A 73 -13.669 10.383 3.116 1.00 0.00 C ATOM 1149 CG ASN A 73 -14.011 9.258 2.158 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -13.129 8.677 1.525 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -15.297 8.946 2.047 1.00 0.00 N ATOM 0 H ASN A 73 -11.584 9.171 2.317 1.00 0.00 H new ATOM 0 HA ASN A 73 -12.181 10.937 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.534 10.597 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.456 11.288 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.588 8.198 1.418 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -15.994 9.454 2.591 1.00 0.00 H new ATOM 1158 N ASP A 74 -12.544 7.709 4.639 1.00 0.00 N ATOM 1159 CA ASP A 74 -12.849 6.571 5.497 1.00 0.00 C ATOM 1160 C ASP A 74 -11.768 5.500 5.386 1.00 0.00 C ATOM 1161 O ASP A 74 -10.941 5.531 4.474 1.00 0.00 O ATOM 1162 CB ASP A 74 -14.211 5.979 5.130 1.00 0.00 C ATOM 1163 CG ASP A 74 -14.258 5.479 3.700 1.00 0.00 C ATOM 1164 OD1 ASP A 74 -14.220 6.318 2.776 1.00 0.00 O ATOM 1165 OD2 ASP A 74 -14.332 4.248 3.505 1.00 0.00 O ATOM 0 H ASP A 74 -12.088 7.464 3.760 1.00 0.00 H new ATOM 0 HA ASP A 74 -12.880 6.923 6.528 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -14.441 5.156 5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -14.983 6.735 5.273 1.00 0.00 H new ATOM 1170 N TYR A 75 -11.781 4.555 6.319 1.00 0.00 N ATOM 1171 CA TYR A 75 -10.799 3.477 6.328 1.00 0.00 C ATOM 1172 C TYR A 75 -11.482 2.120 6.476 1.00 0.00 C ATOM 1173 O TYR A 75 -11.671 1.609 7.580 1.00 0.00 O ATOM 1174 CB TYR A 75 -9.795 3.682 7.463 1.00 0.00 C ATOM 1175 CG TYR A 75 -8.863 4.852 7.243 1.00 0.00 C ATOM 1176 CD1 TYR A 75 -9.265 6.149 7.538 1.00 0.00 C ATOM 1177 CD2 TYR A 75 -7.583 4.661 6.740 1.00 0.00 C ATOM 1178 CE1 TYR A 75 -8.417 7.222 7.338 1.00 0.00 C ATOM 1179 CE2 TYR A 75 -6.728 5.727 6.538 1.00 0.00 C ATOM 1180 CZ TYR A 75 -7.150 7.006 6.839 1.00 0.00 C ATOM 1181 OH TYR A 75 -6.302 8.071 6.638 1.00 0.00 O ATOM 0 H TYR A 75 -12.460 4.513 7.079 1.00 0.00 H new ATOM 0 HA TYR A 75 -10.268 3.495 5.376 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -10.339 3.832 8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.203 2.774 7.582 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -10.256 6.322 7.930 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.250 3.661 6.503 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -8.745 8.224 7.571 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -5.735 5.561 6.147 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.448 7.747 6.283 1.00 0.00 H new ATOM 1191 N PRO A 76 -11.860 1.522 5.337 1.00 0.00 N ATOM 1192 CA PRO A 76 -12.526 0.216 5.312 1.00 0.00 C ATOM 1193 C PRO A 76 -11.591 -0.920 5.713 1.00 0.00 C ATOM 1194 O PRO A 76 -10.378 -0.734 5.806 1.00 0.00 O ATOM 1195 CB PRO A 76 -12.956 0.065 3.850 1.00 0.00 C ATOM 1196 CG PRO A 76 -12.002 0.916 3.085 1.00 0.00 C ATOM 1197 CD PRO A 76 -11.666 2.073 3.985 1.00 0.00 C ATOM 0 HA PRO A 76 -13.352 0.166 6.021 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.905 -0.975 3.528 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -13.985 0.394 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.106 0.355 2.819 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.449 1.263 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.642 2.415 3.834 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -12.318 2.927 3.802 1.00 0.00 H new ATOM 1205 N SER A 77 -12.164 -2.096 5.948 1.00 0.00 N ATOM 1206 CA SER A 77 -11.381 -3.261 6.343 1.00 0.00 C ATOM 1207 C SER A 77 -11.788 -4.489 5.533 1.00 0.00 C ATOM 1208 O SER A 77 -12.936 -4.613 5.107 1.00 0.00 O ATOM 1209 CB SER A 77 -11.559 -3.540 7.836 1.00 0.00 C ATOM 1210 OG SER A 77 -12.876 -3.982 8.119 1.00 0.00 O ATOM 0 H SER A 77 -13.167 -2.267 5.872 1.00 0.00 H new ATOM 0 HA SER A 77 -10.331 -3.046 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.842 -4.296 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 77 -11.345 -2.636 8.406 1.00 0.00 H new ATOM 0 HG SER A 77 -12.964 -4.155 9.080 1.00 0.00 H new ATOM 1216 N GLY A 78 -10.837 -5.394 5.323 1.00 0.00 N ATOM 1217 CA GLY A 78 -11.115 -6.600 4.565 1.00 0.00 C ATOM 1218 C GLY A 78 -11.617 -6.302 3.166 1.00 0.00 C ATOM 1219 O GLY A 78 -12.529 -6.966 2.672 1.00 0.00 O ATOM 0 H GLY A 78 -9.879 -5.314 5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.209 -7.203 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.858 -7.196 5.095 1.00 0.00 H new ATOM 1223 N CYS A 79 -11.023 -5.301 2.526 1.00 0.00 N ATOM 1224 CA CYS A 79 -11.418 -4.915 1.176 1.00 0.00 C ATOM 1225 C CYS A 79 -10.220 -4.398 0.386 1.00 0.00 C ATOM 1226 O CYS A 79 -9.268 -3.865 0.958 1.00 0.00 O ATOM 1227 CB CYS A 79 -12.509 -3.845 1.228 1.00 0.00 C ATOM 1228 SG CYS A 79 -13.888 -4.249 2.326 1.00 0.00 S ATOM 0 H CYS A 79 -10.266 -4.742 2.920 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.809 -5.799 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -12.065 -2.904 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -12.895 -3.686 0.221 1.00 0.00 H new ATOM 0 HG CYS A 79 -13.446 -4.406 3.538 1.00 0.00 H new ATOM 1234 N LEU A 80 -10.272 -4.562 -0.931 1.00 0.00 N ATOM 1235 CA LEU A 80 -9.190 -4.114 -1.801 1.00 0.00 C ATOM 1236 C LEU A 80 -9.268 -2.609 -2.037 1.00 0.00 C ATOM 1237 O LEU A 80 -10.201 -2.118 -2.674 1.00 0.00 O ATOM 1238 CB LEU A 80 -9.244 -4.855 -3.138 1.00 0.00 C ATOM 1239 CG LEU A 80 -7.909 -5.029 -3.864 1.00 0.00 C ATOM 1240 CD1 LEU A 80 -8.138 -5.383 -5.325 1.00 0.00 C ATOM 1241 CD2 LEU A 80 -7.069 -3.766 -3.744 1.00 0.00 C ATOM 0 H LEU A 80 -11.052 -5.002 -1.420 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.244 -4.337 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.673 -5.842 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -9.927 -4.322 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.366 -5.849 -3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.177 -5.503 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.700 -6.315 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.702 -4.585 -5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.123 -3.907 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.607 -2.928 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.875 -3.557 -2.692 1.00 0.00 H new ATOM 1253 N LEU A 81 -8.283 -1.883 -1.522 1.00 0.00 N ATOM 1254 CA LEU A 81 -8.238 -0.433 -1.678 1.00 0.00 C ATOM 1255 C LEU A 81 -7.673 -0.049 -3.042 1.00 0.00 C ATOM 1256 O LEU A 81 -8.397 0.434 -3.912 1.00 0.00 O ATOM 1257 CB LEU A 81 -7.393 0.194 -0.568 1.00 0.00 C ATOM 1258 CG LEU A 81 -7.694 -0.281 0.854 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -6.702 0.320 1.838 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -9.120 0.078 1.245 1.00 0.00 C ATOM 0 H LEU A 81 -7.504 -2.274 -0.992 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.257 -0.053 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.343 -0.005 -0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.526 1.275 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.592 -1.366 0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -6.931 -0.029 2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.691 0.013 1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.771 1.407 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.317 -0.268 2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.249 1.159 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.817 -0.400 0.557 1.00 0.00 H new ATOM 1272 N GLY A 82 -6.375 -0.271 -3.222 1.00 0.00 N ATOM 1273 CA GLY A 82 -5.735 0.055 -4.483 1.00 0.00 C ATOM 1274 C GLY A 82 -4.576 -0.869 -4.801 1.00 0.00 C ATOM 1275 O GLY A 82 -4.632 -2.066 -4.517 1.00 0.00 O ATOM 0 H GLY A 82 -5.755 -0.671 -2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.471 -0.001 -5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.377 1.084 -4.450 1.00 0.00 H new ATOM 1279 N CYS A 83 -3.524 -0.314 -5.394 1.00 0.00 N ATOM 1280 CA CYS A 83 -2.348 -1.097 -5.753 1.00 0.00 C ATOM 1281 C CYS A 83 -1.102 -0.218 -5.800 1.00 0.00 C ATOM 1282 O CYS A 83 -1.189 0.988 -6.032 1.00 0.00 O ATOM 1283 CB CYS A 83 -2.557 -1.778 -7.107 1.00 0.00 C ATOM 1284 SG CYS A 83 -3.333 -0.722 -8.352 1.00 0.00 S ATOM 0 H CYS A 83 -3.462 0.675 -5.636 1.00 0.00 H new ATOM 0 HA CYS A 83 -2.203 -1.860 -4.988 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -1.592 -2.117 -7.484 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.173 -2.666 -6.964 1.00 0.00 H new ATOM 0 HG CYS A 83 -4.524 -1.169 -8.618 1.00 0.00 H new ATOM 1290 N VAL A 84 0.057 -0.829 -5.576 1.00 0.00 N ATOM 1291 CA VAL A 84 1.320 -0.102 -5.592 1.00 0.00 C ATOM 1292 C VAL A 84 2.421 -0.928 -6.248 1.00 0.00 C ATOM 1293 O VAL A 84 2.513 -2.137 -6.036 1.00 0.00 O ATOM 1294 CB VAL A 84 1.763 0.286 -4.169 1.00 0.00 C ATOM 1295 CG1 VAL A 84 0.694 1.127 -3.488 1.00 0.00 C ATOM 1296 CG2 VAL A 84 2.074 -0.959 -3.351 1.00 0.00 C ATOM 0 H VAL A 84 0.147 -1.826 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 84 1.155 0.806 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 84 2.672 0.884 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.024 1.392 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.523 2.036 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.233 0.557 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.386 -0.667 -2.348 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.183 -1.584 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.876 -1.519 -3.831 1.00 0.00 H new ATOM 1306 N ASP A 85 3.255 -0.267 -7.043 1.00 0.00 N ATOM 1307 CA ASP A 85 4.352 -0.940 -7.729 1.00 0.00 C ATOM 1308 C ASP A 85 5.551 -1.109 -6.801 1.00 0.00 C ATOM 1309 O ASP A 85 6.188 -0.131 -6.407 1.00 0.00 O ATOM 1310 CB ASP A 85 4.763 -0.152 -8.974 1.00 0.00 C ATOM 1311 CG ASP A 85 5.308 -1.046 -10.071 1.00 0.00 C ATOM 1312 OD1 ASP A 85 6.472 -1.484 -9.955 1.00 0.00 O ATOM 1313 OD2 ASP A 85 4.572 -1.307 -11.045 1.00 0.00 O ATOM 0 H ASP A 85 3.192 0.734 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 85 4.007 -1.929 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.902 0.399 -9.352 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.518 0.585 -8.701 1.00 0.00 H new ATOM 1318 N LEU A 86 5.853 -2.355 -6.454 1.00 0.00 N ATOM 1319 CA LEU A 86 6.975 -2.653 -5.570 1.00 0.00 C ATOM 1320 C LEU A 86 8.299 -2.565 -6.323 1.00 0.00 C ATOM 1321 O LEU A 86 8.679 -3.491 -7.039 1.00 0.00 O ATOM 1322 CB LEU A 86 6.814 -4.047 -4.961 1.00 0.00 C ATOM 1323 CG LEU A 86 7.558 -4.295 -3.649 1.00 0.00 C ATOM 1324 CD1 LEU A 86 6.810 -5.307 -2.794 1.00 0.00 C ATOM 1325 CD2 LEU A 86 8.977 -4.772 -3.922 1.00 0.00 C ATOM 0 H LEU A 86 5.337 -3.176 -6.771 1.00 0.00 H new ATOM 0 HA LEU A 86 6.982 -1.912 -4.770 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.752 -4.228 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.151 -4.782 -5.692 1.00 0.00 H new ATOM 0 HG LEU A 86 7.611 -3.354 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.355 -5.471 -1.864 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.813 -4.927 -2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.725 -6.249 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.491 -4.943 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.945 -5.701 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.512 -4.014 -4.494 1.00 0.00 H new ATOM 1337 N ILE A 87 8.996 -1.446 -6.154 1.00 0.00 N ATOM 1338 CA ILE A 87 10.279 -1.239 -6.815 1.00 0.00 C ATOM 1339 C ILE A 87 11.358 -2.130 -6.211 1.00 0.00 C ATOM 1340 O ILE A 87 12.130 -2.763 -6.931 1.00 0.00 O ATOM 1341 CB ILE A 87 10.730 0.230 -6.720 1.00 0.00 C ATOM 1342 CG1 ILE A 87 10.174 0.876 -5.449 1.00 0.00 C ATOM 1343 CG2 ILE A 87 10.282 1.002 -7.952 1.00 0.00 C ATOM 1344 CD1 ILE A 87 8.824 1.530 -5.644 1.00 0.00 C ATOM 0 H ILE A 87 8.694 -0.669 -5.566 1.00 0.00 H new ATOM 0 HA ILE A 87 10.140 -1.501 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 87 11.819 0.258 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 87 10.092 0.117 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.882 1.623 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.608 2.039 -7.870 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.721 0.553 -8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.195 0.968 -8.027 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.492 1.967 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.904 2.313 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.102 0.783 -5.972 1.00 0.00 H new ATOM 1356 N ASP A 88 11.406 -2.177 -4.884 1.00 0.00 N ATOM 1357 CA ASP A 88 12.389 -2.993 -4.182 1.00 0.00 C ATOM 1358 C ASP A 88 12.012 -3.154 -2.712 1.00 0.00 C ATOM 1359 O ASP A 88 11.154 -2.435 -2.199 1.00 0.00 O ATOM 1360 CB ASP A 88 13.780 -2.368 -4.299 1.00 0.00 C ATOM 1361 CG ASP A 88 14.553 -2.895 -5.492 1.00 0.00 C ATOM 1362 OD1 ASP A 88 14.608 -4.131 -5.665 1.00 0.00 O ATOM 1363 OD2 ASP A 88 15.102 -2.072 -6.254 1.00 0.00 O ATOM 0 H ASP A 88 10.775 -1.659 -4.273 1.00 0.00 H new ATOM 0 HA ASP A 88 12.403 -3.980 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.683 -1.286 -4.382 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.343 -2.569 -3.388 1.00 0.00 H new ATOM 1368 N CYS A 89 12.659 -4.101 -2.042 1.00 0.00 N ATOM 1369 CA CYS A 89 12.390 -4.357 -0.631 1.00 0.00 C ATOM 1370 C CYS A 89 13.682 -4.343 0.180 1.00 0.00 C ATOM 1371 O CYS A 89 14.401 -5.341 0.241 1.00 0.00 O ATOM 1372 CB CYS A 89 11.683 -5.703 -0.462 1.00 0.00 C ATOM 1373 SG CYS A 89 11.841 -6.417 1.192 1.00 0.00 S ATOM 0 H CYS A 89 13.373 -4.704 -2.452 1.00 0.00 H new ATOM 0 HA CYS A 89 11.741 -3.564 -0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 89 10.625 -5.577 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 89 12.086 -6.407 -1.190 1.00 0.00 H new ATOM 0 HG CYS A 89 10.722 -6.270 1.837 1.00 0.00 H new ATOM 1379 N LEU A 90 13.972 -3.204 0.800 1.00 0.00 N ATOM 1380 CA LEU A 90 15.179 -3.058 1.606 1.00 0.00 C ATOM 1381 C LEU A 90 14.887 -3.337 3.078 1.00 0.00 C ATOM 1382 O LEU A 90 13.729 -3.423 3.486 1.00 0.00 O ATOM 1383 CB LEU A 90 15.755 -1.650 1.447 1.00 0.00 C ATOM 1384 CG LEU A 90 16.201 -1.264 0.036 1.00 0.00 C ATOM 1385 CD1 LEU A 90 16.642 0.191 -0.004 1.00 0.00 C ATOM 1386 CD2 LEU A 90 17.323 -2.176 -0.437 1.00 0.00 C ATOM 0 H LEU A 90 13.388 -2.369 0.760 1.00 0.00 H new ATOM 0 HA LEU A 90 15.911 -3.785 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 90 15.005 -0.932 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 90 16.609 -1.550 2.117 1.00 0.00 H new ATOM 0 HG LEU A 90 15.353 -1.385 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 90 16.956 0.448 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 90 15.811 0.831 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 17.475 0.338 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 90 17.628 -1.887 -1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 90 18.173 -2.088 0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 90 16.973 -3.208 -0.447 1.00 0.00 H new ATOM 1398 N SER A 91 15.946 -3.475 3.869 1.00 0.00 N ATOM 1399 CA SER A 91 15.804 -3.746 5.295 1.00 0.00 C ATOM 1400 C SER A 91 16.100 -2.495 6.117 1.00 0.00 C ATOM 1401 O SER A 91 16.593 -1.497 5.592 1.00 0.00 O ATOM 1402 CB SER A 91 16.741 -4.880 5.716 1.00 0.00 C ATOM 1403 OG SER A 91 16.634 -5.141 7.105 1.00 0.00 O ATOM 0 H SER A 91 16.911 -3.404 3.547 1.00 0.00 H new ATOM 0 HA SER A 91 14.773 -4.048 5.482 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.501 -5.782 5.154 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.770 -4.616 5.471 1.00 0.00 H new ATOM 0 HG SER A 91 15.732 -5.467 7.308 1.00 0.00 H new ATOM 1409 N GLN A 92 15.793 -2.558 7.409 1.00 0.00 N ATOM 1410 CA GLN A 92 16.025 -1.431 8.304 1.00 0.00 C ATOM 1411 C GLN A 92 17.406 -0.826 8.073 1.00 0.00 C ATOM 1412 O GLN A 92 17.658 0.326 8.425 1.00 0.00 O ATOM 1413 CB GLN A 92 15.887 -1.873 9.762 1.00 0.00 C ATOM 1414 CG GLN A 92 14.487 -2.342 10.125 1.00 0.00 C ATOM 1415 CD GLN A 92 13.608 -1.216 10.634 1.00 0.00 C ATOM 1416 OE1 GLN A 92 13.548 -0.954 11.836 1.00 0.00 O ATOM 1417 NE2 GLN A 92 12.921 -0.542 9.719 1.00 0.00 N ATOM 0 H GLN A 92 15.383 -3.377 7.859 1.00 0.00 H new ATOM 0 HA GLN A 92 15.275 -0.670 8.089 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.594 -2.680 9.957 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.163 -1.043 10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.021 -2.794 9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.554 -3.118 10.887 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.001 -0.793 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.313 0.227 10.002 1.00 0.00 H new ATOM 1426 N LYS A 93 18.298 -1.612 7.478 1.00 0.00 N ATOM 1427 CA LYS A 93 19.654 -1.155 7.198 1.00 0.00 C ATOM 1428 C LYS A 93 19.744 -0.540 5.805 1.00 0.00 C ATOM 1429 O LYS A 93 19.926 0.669 5.662 1.00 0.00 O ATOM 1430 CB LYS A 93 20.641 -2.318 7.318 1.00 0.00 C ATOM 1431 CG LYS A 93 22.059 -1.957 6.910 1.00 0.00 C ATOM 1432 CD LYS A 93 22.841 -3.183 6.470 1.00 0.00 C ATOM 1433 CE LYS A 93 23.427 -3.928 7.660 1.00 0.00 C ATOM 1434 NZ LYS A 93 24.246 -5.097 7.234 1.00 0.00 N ATOM 0 H LYS A 93 18.106 -2.569 7.181 1.00 0.00 H new ATOM 0 HA LYS A 93 19.912 -0.391 7.931 1.00 0.00 H new ATOM 0 HB2 LYS A 93 20.648 -2.673 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 93 20.293 -3.144 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.031 -1.231 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 93 22.569 -1.480 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.187 -3.850 5.908 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.644 -2.882 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 93 24.044 -3.247 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 93 22.620 -4.267 8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 24.627 -5.578 8.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 23.652 -5.759 6.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 25.031 -4.771 6.635 1.00 0.00 H new ATOM 1448 N GLN A 94 19.613 -1.379 4.783 1.00 0.00 N ATOM 1449 CA GLN A 94 19.679 -0.916 3.402 1.00 0.00 C ATOM 1450 C GLN A 94 18.618 0.146 3.132 1.00 0.00 C ATOM 1451 O GLN A 94 18.900 1.181 2.528 1.00 0.00 O ATOM 1452 CB GLN A 94 19.498 -2.090 2.439 1.00 0.00 C ATOM 1453 CG GLN A 94 20.362 -3.294 2.778 1.00 0.00 C ATOM 1454 CD GLN A 94 20.766 -4.088 1.552 1.00 0.00 C ATOM 1455 OE1 GLN A 94 20.071 -5.020 1.145 1.00 0.00 O ATOM 1456 NE2 GLN A 94 21.894 -3.722 0.954 1.00 0.00 N ATOM 0 H GLN A 94 19.461 -2.382 4.885 1.00 0.00 H new ATOM 0 HA GLN A 94 20.661 -0.471 3.242 1.00 0.00 H new ATOM 0 HB2 GLN A 94 18.451 -2.393 2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 94 19.732 -1.759 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 94 21.258 -2.958 3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.819 -3.944 3.464 1.00 0.00 H new ATOM 0 HE21 GLN A 94 22.439 -2.944 1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.215 -4.219 0.123 1.00 0.00 H new ATOM 1465 N PHE A 95 17.397 -0.117 3.585 1.00 0.00 N ATOM 1466 CA PHE A 95 16.293 0.816 3.392 1.00 0.00 C ATOM 1467 C PHE A 95 16.730 2.246 3.694 1.00 0.00 C ATOM 1468 O PHE A 95 16.646 3.128 2.839 1.00 0.00 O ATOM 1469 CB PHE A 95 15.111 0.432 4.284 1.00 0.00 C ATOM 1470 CG PHE A 95 13.968 1.405 4.217 1.00 0.00 C ATOM 1471 CD1 PHE A 95 13.520 1.885 2.997 1.00 0.00 C ATOM 1472 CD2 PHE A 95 13.342 1.839 5.374 1.00 0.00 C ATOM 1473 CE1 PHE A 95 12.470 2.781 2.933 1.00 0.00 C ATOM 1474 CE2 PHE A 95 12.291 2.735 5.317 1.00 0.00 C ATOM 1475 CZ PHE A 95 11.854 3.205 4.094 1.00 0.00 C ATOM 0 H PHE A 95 17.147 -0.968 4.088 1.00 0.00 H new ATOM 0 HA PHE A 95 15.983 0.763 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 95 14.754 -0.556 3.995 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.454 0.357 5.316 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.997 1.555 2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 95 13.679 1.473 6.332 1.00 0.00 H new ATOM 0 HE1 PHE A 95 12.131 3.149 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 95 11.813 3.067 6.227 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.032 3.903 4.046 1.00 0.00 H new ATOM 1485 N LYS A 96 17.195 2.470 4.919 1.00 0.00 N ATOM 1486 CA LYS A 96 17.646 3.792 5.337 1.00 0.00 C ATOM 1487 C LYS A 96 18.904 4.202 4.578 1.00 0.00 C ATOM 1488 O LYS A 96 19.051 5.358 4.183 1.00 0.00 O ATOM 1489 CB LYS A 96 17.918 3.808 6.843 1.00 0.00 C ATOM 1490 CG LYS A 96 19.269 3.228 7.223 1.00 0.00 C ATOM 1491 CD LYS A 96 19.592 3.479 8.687 1.00 0.00 C ATOM 1492 CE LYS A 96 19.131 2.326 9.565 1.00 0.00 C ATOM 1493 NZ LYS A 96 19.688 2.420 10.943 1.00 0.00 N ATOM 0 H LYS A 96 17.269 1.752 5.640 1.00 0.00 H new ATOM 0 HA LYS A 96 16.856 4.507 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.858 4.835 7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 96 17.135 3.246 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 96 19.274 2.156 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 96 20.045 3.670 6.597 1.00 0.00 H new ATOM 0 HD2 LYS A 96 20.666 3.620 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 96 19.112 4.401 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 96 18.042 2.319 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 96 19.436 1.382 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.350 1.616 11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 20.727 2.401 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 19.376 3.309 11.383 1.00 0.00 H new ATOM 1507 N GLU A 97 19.807 3.248 4.377 1.00 0.00 N ATOM 1508 CA GLU A 97 21.052 3.512 3.665 1.00 0.00 C ATOM 1509 C GLU A 97 20.782 4.225 2.344 1.00 0.00 C ATOM 1510 O GLU A 97 21.317 5.303 2.089 1.00 0.00 O ATOM 1511 CB GLU A 97 21.805 2.205 3.407 1.00 0.00 C ATOM 1512 CG GLU A 97 22.644 1.743 4.587 1.00 0.00 C ATOM 1513 CD GLU A 97 23.845 0.920 4.162 1.00 0.00 C ATOM 1514 OE1 GLU A 97 24.860 1.522 3.753 1.00 0.00 O ATOM 1515 OE2 GLU A 97 23.770 -0.324 4.238 1.00 0.00 O ATOM 0 H GLU A 97 19.700 2.285 4.697 1.00 0.00 H new ATOM 0 HA GLU A 97 21.667 4.160 4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 97 21.086 1.425 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 97 22.453 2.334 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 97 22.985 2.613 5.149 1.00 0.00 H new ATOM 0 HG3 GLU A 97 22.023 1.152 5.260 1.00 0.00 H new ATOM 1522 N GLN A 98 19.948 3.614 1.508 1.00 0.00 N ATOM 1523 CA GLN A 98 19.608 4.190 0.212 1.00 0.00 C ATOM 1524 C GLN A 98 18.513 5.243 0.355 1.00 0.00 C ATOM 1525 O GLN A 98 18.633 6.353 -0.164 1.00 0.00 O ATOM 1526 CB GLN A 98 19.155 3.094 -0.754 1.00 0.00 C ATOM 1527 CG GLN A 98 19.829 1.753 -0.511 1.00 0.00 C ATOM 1528 CD GLN A 98 19.539 0.748 -1.608 1.00 0.00 C ATOM 1529 OE1 GLN A 98 18.808 1.038 -2.555 1.00 0.00 O ATOM 1530 NE2 GLN A 98 20.112 -0.444 -1.485 1.00 0.00 N ATOM 0 H GLN A 98 19.496 2.721 1.705 1.00 0.00 H new ATOM 0 HA GLN A 98 20.500 4.671 -0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 98 18.075 2.970 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 98 19.359 3.414 -1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 98 20.906 1.901 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 98 19.493 1.350 0.444 1.00 0.00 H new ATOM 0 HE21 GLN A 98 20.711 -0.642 -0.683 1.00 0.00 H new ATOM 0 HE22 GLN A 98 19.953 -1.162 -2.192 1.00 0.00 H new ATOM 1539 N PHE A 99 17.445 4.886 1.061 1.00 0.00 N ATOM 1540 CA PHE A 99 16.328 5.799 1.271 1.00 0.00 C ATOM 1541 C PHE A 99 16.268 6.261 2.724 1.00 0.00 C ATOM 1542 O PHE A 99 15.363 5.904 3.479 1.00 0.00 O ATOM 1543 CB PHE A 99 15.010 5.124 0.884 1.00 0.00 C ATOM 1544 CG PHE A 99 15.037 4.494 -0.479 1.00 0.00 C ATOM 1545 CD1 PHE A 99 15.674 3.281 -0.683 1.00 0.00 C ATOM 1546 CD2 PHE A 99 14.426 5.115 -1.556 1.00 0.00 C ATOM 1547 CE1 PHE A 99 15.700 2.698 -1.937 1.00 0.00 C ATOM 1548 CE2 PHE A 99 14.449 4.537 -2.811 1.00 0.00 C ATOM 1549 CZ PHE A 99 15.088 3.328 -3.002 1.00 0.00 C ATOM 0 H PHE A 99 17.330 3.971 1.497 1.00 0.00 H new ATOM 0 HA PHE A 99 16.481 6.672 0.637 1.00 0.00 H new ATOM 0 HB2 PHE A 99 14.771 4.360 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 99 14.209 5.862 0.918 1.00 0.00 H new ATOM 0 HD1 PHE A 99 16.156 2.785 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 99 13.926 6.062 -1.413 1.00 0.00 H new ATOM 0 HE1 PHE A 99 16.198 1.751 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.967 5.031 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 99 15.109 2.876 -3.983 1.00 0.00 H new ATOM 1559 N PRO A 100 17.256 7.074 3.127 1.00 0.00 N ATOM 1560 CA PRO A 100 17.339 7.602 4.492 1.00 0.00 C ATOM 1561 C PRO A 100 16.246 8.624 4.786 1.00 0.00 C ATOM 1562 O PRO A 100 16.032 9.005 5.936 1.00 0.00 O ATOM 1563 CB PRO A 100 18.717 8.268 4.531 1.00 0.00 C ATOM 1564 CG PRO A 100 19.010 8.615 3.113 1.00 0.00 C ATOM 1565 CD PRO A 100 18.367 7.540 2.281 1.00 0.00 C ATOM 0 HA PRO A 100 17.206 6.820 5.240 1.00 0.00 H new ATOM 0 HB2 PRO A 100 18.710 9.156 5.163 1.00 0.00 H new ATOM 0 HB3 PRO A 100 19.471 7.594 4.938 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.608 9.596 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 100 20.085 8.655 2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 100 18.010 7.929 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 100 19.066 6.734 2.055 1.00 0.00 H new ATOM 1573 N ASP A 101 15.556 9.063 3.738 1.00 0.00 N ATOM 1574 CA ASP A 101 14.483 10.040 3.885 1.00 0.00 C ATOM 1575 C ASP A 101 13.216 9.379 4.417 1.00 0.00 C ATOM 1576 O ASP A 101 12.349 10.044 4.986 1.00 0.00 O ATOM 1577 CB ASP A 101 14.195 10.717 2.544 1.00 0.00 C ATOM 1578 CG ASP A 101 15.089 11.917 2.298 1.00 0.00 C ATOM 1579 OD1 ASP A 101 16.247 11.899 2.763 1.00 0.00 O ATOM 1580 OD2 ASP A 101 14.629 12.875 1.641 1.00 0.00 O ATOM 0 H ASP A 101 15.721 8.758 2.779 1.00 0.00 H new ATOM 0 HA ASP A 101 14.807 10.794 4.602 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.331 9.995 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.152 11.033 2.516 1.00 0.00 H new ATOM 1585 N ILE A 102 13.114 8.068 4.229 1.00 0.00 N ATOM 1586 CA ILE A 102 11.952 7.318 4.690 1.00 0.00 C ATOM 1587 C ILE A 102 12.363 6.199 5.642 1.00 0.00 C ATOM 1588 O ILE A 102 11.637 5.221 5.815 1.00 0.00 O ATOM 1589 CB ILE A 102 11.169 6.712 3.511 1.00 0.00 C ATOM 1590 CG1 ILE A 102 12.130 6.259 2.410 1.00 0.00 C ATOM 1591 CG2 ILE A 102 10.168 7.720 2.966 1.00 0.00 C ATOM 1592 CD1 ILE A 102 11.434 5.841 1.134 1.00 0.00 C ATOM 0 H ILE A 102 13.822 7.503 3.761 1.00 0.00 H new ATOM 0 HA ILE A 102 11.310 8.023 5.217 1.00 0.00 H new ATOM 0 HB ILE A 102 10.620 5.841 3.869 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.823 7.071 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 102 12.725 5.424 2.780 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.622 7.277 2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.466 7.998 3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.697 8.608 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 102 12.177 5.532 0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.762 5.008 1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 102 10.861 6.680 0.740 1.00 0.00 H new ATOM 1604 N SER A 103 13.531 6.353 6.257 1.00 0.00 N ATOM 1605 CA SER A 103 14.040 5.355 7.191 1.00 0.00 C ATOM 1606 C SER A 103 13.132 5.240 8.412 1.00 0.00 C ATOM 1607 O SER A 103 13.150 4.233 9.119 1.00 0.00 O ATOM 1608 CB SER A 103 15.461 5.713 7.630 1.00 0.00 C ATOM 1609 OG SER A 103 15.449 6.733 8.614 1.00 0.00 O ATOM 0 H SER A 103 14.143 7.159 6.126 1.00 0.00 H new ATOM 0 HA SER A 103 14.057 4.392 6.681 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.957 4.827 8.026 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.039 6.043 6.767 1.00 0.00 H new ATOM 0 HG SER A 103 16.369 6.943 8.879 1.00 0.00 H new ATOM 1615 N GLN A 104 12.340 6.280 8.652 1.00 0.00 N ATOM 1616 CA GLN A 104 11.426 6.297 9.788 1.00 0.00 C ATOM 1617 C GLN A 104 10.025 5.868 9.365 1.00 0.00 C ATOM 1618 O GLN A 104 9.261 5.334 10.169 1.00 0.00 O ATOM 1619 CB GLN A 104 11.378 7.694 10.410 1.00 0.00 C ATOM 1620 CG GLN A 104 10.827 8.758 9.475 1.00 0.00 C ATOM 1621 CD GLN A 104 9.314 8.843 9.515 1.00 0.00 C ATOM 1622 OE1 GLN A 104 8.669 8.427 8.431 1.00 0.00 O flip ATOM 1623 NE2 GLN A 104 8.730 9.277 10.509 1.00 0.00 N flip ATOM 0 H GLN A 104 12.313 7.121 8.076 1.00 0.00 H new ATOM 0 HA GLN A 104 11.795 5.589 10.530 1.00 0.00 H new ATOM 0 HB2 GLN A 104 10.765 7.661 11.310 1.00 0.00 H new ATOM 0 HB3 GLN A 104 12.383 7.980 10.719 1.00 0.00 H new ATOM 0 HG2 GLN A 104 11.249 9.726 9.744 1.00 0.00 H new ATOM 0 HG3 GLN A 104 11.148 8.542 8.456 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.265 9.586 11.320 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.711 9.327 10.521 1.00 0.00 H new ATOM 1632 N GLU A 105 9.694 6.106 8.100 1.00 0.00 N ATOM 1633 CA GLU A 105 8.384 5.745 7.572 1.00 0.00 C ATOM 1634 C GLU A 105 8.010 4.320 7.972 1.00 0.00 C ATOM 1635 O GLU A 105 6.860 4.040 8.308 1.00 0.00 O ATOM 1636 CB GLU A 105 8.369 5.879 6.048 1.00 0.00 C ATOM 1637 CG GLU A 105 8.084 7.291 5.564 1.00 0.00 C ATOM 1638 CD GLU A 105 7.570 7.326 4.137 1.00 0.00 C ATOM 1639 OE1 GLU A 105 7.179 6.259 3.621 1.00 0.00 O ATOM 1640 OE2 GLU A 105 7.559 8.422 3.538 1.00 0.00 O ATOM 0 H GLU A 105 10.315 6.547 7.422 1.00 0.00 H new ATOM 0 HA GLU A 105 7.649 6.428 7.997 1.00 0.00 H new ATOM 0 HB2 GLU A 105 9.333 5.556 5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.616 5.205 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.350 7.755 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.995 7.886 5.633 1.00 0.00 H new ATOM 1647 N SER A 106 8.991 3.424 7.931 1.00 0.00 N ATOM 1648 CA SER A 106 8.765 2.027 8.285 1.00 0.00 C ATOM 1649 C SER A 106 9.648 1.615 9.459 1.00 0.00 C ATOM 1650 O SER A 106 10.741 2.149 9.646 1.00 0.00 O ATOM 1651 CB SER A 106 9.043 1.124 7.082 1.00 0.00 C ATOM 1652 OG SER A 106 8.386 -0.124 7.220 1.00 0.00 O ATOM 0 H SER A 106 9.949 3.640 7.656 1.00 0.00 H new ATOM 0 HA SER A 106 7.722 1.916 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.708 1.616 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 106 10.117 0.965 6.983 1.00 0.00 H new ATOM 0 HG SER A 106 8.303 -0.549 6.341 1.00 0.00 H new ATOM 1658 N ASP A 107 9.164 0.661 10.247 1.00 0.00 N ATOM 1659 CA ASP A 107 9.908 0.175 11.404 1.00 0.00 C ATOM 1660 C ASP A 107 10.277 -1.296 11.234 1.00 0.00 C ATOM 1661 O ASP A 107 11.270 -1.765 11.789 1.00 0.00 O ATOM 1662 CB ASP A 107 9.088 0.363 12.681 1.00 0.00 C ATOM 1663 CG ASP A 107 9.960 0.526 13.910 1.00 0.00 C ATOM 1664 OD1 ASP A 107 10.788 -0.371 14.174 1.00 0.00 O ATOM 1665 OD2 ASP A 107 9.815 1.551 14.608 1.00 0.00 O ATOM 0 H ASP A 107 8.261 0.209 10.106 1.00 0.00 H new ATOM 0 HA ASP A 107 10.827 0.755 11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 107 8.449 1.240 12.573 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.431 -0.496 12.817 1.00 0.00 H new ATOM 1670 N SER A 108 9.470 -2.017 10.463 1.00 0.00 N ATOM 1671 CA SER A 108 9.708 -3.436 10.223 1.00 0.00 C ATOM 1672 C SER A 108 11.137 -3.673 9.744 1.00 0.00 C ATOM 1673 O SER A 108 11.828 -2.759 9.295 1.00 0.00 O ATOM 1674 CB SER A 108 8.715 -3.975 9.191 1.00 0.00 C ATOM 1675 OG SER A 108 7.555 -4.491 9.820 1.00 0.00 O ATOM 0 H SER A 108 8.646 -1.642 9.994 1.00 0.00 H new ATOM 0 HA SER A 108 9.566 -3.967 11.164 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.435 -3.179 8.501 1.00 0.00 H new ATOM 0 HB3 SER A 108 9.190 -4.757 8.599 1.00 0.00 H new ATOM 0 HG SER A 108 6.794 -3.902 9.636 1.00 0.00 H new ATOM 1681 N PRO A 109 11.591 -4.932 9.840 1.00 0.00 N ATOM 1682 CA PRO A 109 12.941 -5.321 9.420 1.00 0.00 C ATOM 1683 C PRO A 109 13.115 -5.269 7.906 1.00 0.00 C ATOM 1684 O PRO A 109 14.174 -4.891 7.406 1.00 0.00 O ATOM 1685 CB PRO A 109 13.068 -6.760 9.925 1.00 0.00 C ATOM 1686 CG PRO A 109 11.667 -7.261 9.999 1.00 0.00 C ATOM 1687 CD PRO A 109 10.821 -6.072 10.364 1.00 0.00 C ATOM 0 HA PRO A 109 13.701 -4.648 9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 109 13.670 -7.366 9.247 1.00 0.00 H new ATOM 0 HB3 PRO A 109 13.553 -6.796 10.900 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.353 -7.685 9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 109 11.574 -8.050 10.745 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.831 -6.130 9.912 1.00 0.00 H new ATOM 0 HD3 PRO A 109 10.676 -5.998 11.442 1.00 0.00 H new ATOM 1695 N PHE A 110 12.068 -5.652 7.182 1.00 0.00 N ATOM 1696 CA PHE A 110 12.106 -5.650 5.724 1.00 0.00 C ATOM 1697 C PHE A 110 11.062 -4.694 5.154 1.00 0.00 C ATOM 1698 O PHE A 110 9.876 -5.020 5.090 1.00 0.00 O ATOM 1699 CB PHE A 110 11.871 -7.062 5.184 1.00 0.00 C ATOM 1700 CG PHE A 110 13.055 -7.971 5.348 1.00 0.00 C ATOM 1701 CD1 PHE A 110 14.327 -7.543 5.006 1.00 0.00 C ATOM 1702 CD2 PHE A 110 12.895 -9.255 5.844 1.00 0.00 C ATOM 1703 CE1 PHE A 110 15.419 -8.377 5.155 1.00 0.00 C ATOM 1704 CE2 PHE A 110 13.983 -10.094 5.996 1.00 0.00 C ATOM 1705 CZ PHE A 110 15.247 -9.655 5.650 1.00 0.00 C ATOM 0 H PHE A 110 11.184 -5.967 7.581 1.00 0.00 H new ATOM 0 HA PHE A 110 13.093 -5.310 5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 110 11.013 -7.500 5.695 1.00 0.00 H new ATOM 0 HB3 PHE A 110 11.614 -7.000 4.126 1.00 0.00 H new ATOM 0 HD1 PHE A 110 14.467 -6.545 4.618 1.00 0.00 H new ATOM 0 HD2 PHE A 110 11.909 -9.604 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 110 16.405 -8.030 4.885 1.00 0.00 H new ATOM 0 HE2 PHE A 110 13.845 -11.092 6.385 1.00 0.00 H new ATOM 0 HZ PHE A 110 16.098 -10.310 5.766 1.00 0.00 H new ATOM 1715 N VAL A 111 11.511 -3.513 4.742 1.00 0.00 N ATOM 1716 CA VAL A 111 10.616 -2.510 4.177 1.00 0.00 C ATOM 1717 C VAL A 111 10.389 -2.752 2.689 1.00 0.00 C ATOM 1718 O VAL A 111 11.327 -3.040 1.945 1.00 0.00 O ATOM 1719 CB VAL A 111 11.171 -1.087 4.376 1.00 0.00 C ATOM 1720 CG1 VAL A 111 10.197 -0.053 3.833 1.00 0.00 C ATOM 1721 CG2 VAL A 111 11.469 -0.832 5.846 1.00 0.00 C ATOM 0 H VAL A 111 12.489 -3.227 4.789 1.00 0.00 H new ATOM 0 HA VAL A 111 9.667 -2.599 4.705 1.00 0.00 H new ATOM 0 HB VAL A 111 12.104 -0.999 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 111 10.606 0.946 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 111 10.040 -0.225 2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 111 9.246 -0.138 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.860 0.178 5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.553 -0.939 6.427 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.208 -1.552 6.198 1.00 0.00 H new ATOM 1731 N PHE A 112 9.137 -2.632 2.260 1.00 0.00 N ATOM 1732 CA PHE A 112 8.785 -2.838 0.860 1.00 0.00 C ATOM 1733 C PHE A 112 8.524 -1.506 0.163 1.00 0.00 C ATOM 1734 O PHE A 112 7.463 -0.905 0.328 1.00 0.00 O ATOM 1735 CB PHE A 112 7.551 -3.736 0.748 1.00 0.00 C ATOM 1736 CG PHE A 112 7.690 -5.040 1.480 1.00 0.00 C ATOM 1737 CD1 PHE A 112 8.927 -5.466 1.934 1.00 0.00 C ATOM 1738 CD2 PHE A 112 6.582 -5.839 1.715 1.00 0.00 C ATOM 1739 CE1 PHE A 112 9.058 -6.666 2.607 1.00 0.00 C ATOM 1740 CE2 PHE A 112 6.707 -7.040 2.388 1.00 0.00 C ATOM 1741 CZ PHE A 112 7.946 -7.453 2.836 1.00 0.00 C ATOM 0 H PHE A 112 8.349 -2.393 2.862 1.00 0.00 H new ATOM 0 HA PHE A 112 9.626 -3.327 0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.685 -3.200 1.138 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.353 -3.939 -0.305 1.00 0.00 H new ATOM 0 HD1 PHE A 112 9.799 -4.853 1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.610 -5.520 1.368 1.00 0.00 H new ATOM 0 HE1 PHE A 112 10.029 -6.988 2.954 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.836 -7.655 2.563 1.00 0.00 H new ATOM 0 HZ PHE A 112 8.046 -8.390 3.364 1.00 0.00 H new ATOM 1751 N ILE A 113 9.501 -1.052 -0.616 1.00 0.00 N ATOM 1752 CA ILE A 113 9.377 0.208 -1.338 1.00 0.00 C ATOM 1753 C ILE A 113 8.367 0.093 -2.476 1.00 0.00 C ATOM 1754 O ILE A 113 8.536 -0.715 -3.389 1.00 0.00 O ATOM 1755 CB ILE A 113 10.731 0.663 -1.913 1.00 0.00 C ATOM 1756 CG1 ILE A 113 11.872 0.235 -0.988 1.00 0.00 C ATOM 1757 CG2 ILE A 113 10.742 2.171 -2.113 1.00 0.00 C ATOM 1758 CD1 ILE A 113 13.087 1.132 -1.071 1.00 0.00 C ATOM 0 H ILE A 113 10.386 -1.538 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 113 9.029 0.950 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 113 10.876 0.186 -2.883 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.510 0.222 0.040 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.166 -0.785 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.706 2.477 -2.520 1.00 0.00 H new ATOM 0 HG22 ILE A 113 9.950 2.452 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 113 10.579 2.666 -1.156 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.855 0.768 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 113 13.475 1.126 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.808 2.149 -0.795 1.00 0.00 H new ATOM 1770 N CYS A 114 7.320 0.907 -2.414 1.00 0.00 N ATOM 1771 CA CYS A 114 6.283 0.898 -3.440 1.00 0.00 C ATOM 1772 C CYS A 114 6.100 2.288 -4.041 1.00 0.00 C ATOM 1773 O CYS A 114 6.386 3.297 -3.397 1.00 0.00 O ATOM 1774 CB CYS A 114 4.960 0.405 -2.852 1.00 0.00 C ATOM 1775 SG CYS A 114 5.145 -0.870 -1.583 1.00 0.00 S ATOM 0 H CYS A 114 7.166 1.582 -1.665 1.00 0.00 H new ATOM 0 HA CYS A 114 6.596 0.218 -4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.426 1.254 -2.424 1.00 0.00 H new ATOM 0 HB3 CYS A 114 4.340 0.013 -3.658 1.00 0.00 H new ATOM 0 HG CYS A 114 6.117 -0.548 -0.782 1.00 0.00 H new ATOM 1781 N LYS A 115 5.623 2.332 -5.280 1.00 0.00 N ATOM 1782 CA LYS A 115 5.402 3.598 -5.970 1.00 0.00 C ATOM 1783 C LYS A 115 4.134 3.542 -6.816 1.00 0.00 C ATOM 1784 O LYS A 115 3.480 2.504 -6.902 1.00 0.00 O ATOM 1785 CB LYS A 115 6.604 3.936 -6.855 1.00 0.00 C ATOM 1786 CG LYS A 115 7.670 4.753 -6.146 1.00 0.00 C ATOM 1787 CD LYS A 115 7.320 6.231 -6.127 1.00 0.00 C ATOM 1788 CE LYS A 115 7.775 6.928 -7.400 1.00 0.00 C ATOM 1789 NZ LYS A 115 6.736 6.872 -8.465 1.00 0.00 N ATOM 0 H LYS A 115 5.382 1.506 -5.827 1.00 0.00 H new ATOM 0 HA LYS A 115 5.282 4.378 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 115 7.049 3.010 -7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 115 6.257 4.487 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 115 7.786 4.393 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 115 8.629 4.612 -6.644 1.00 0.00 H new ATOM 0 HD2 LYS A 115 6.243 6.349 -6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 115 7.787 6.706 -5.264 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.013 7.969 -7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 115 8.691 6.461 -7.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.737 7.765 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 6.942 6.083 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.802 6.729 -8.031 1.00 0.00 H new ATOM 1803 N ASN A 116 3.794 4.665 -7.439 1.00 0.00 N ATOM 1804 CA ASN A 116 2.604 4.743 -8.279 1.00 0.00 C ATOM 1805 C ASN A 116 1.363 4.305 -7.507 1.00 0.00 C ATOM 1806 O ASN A 116 0.599 3.446 -7.947 1.00 0.00 O ATOM 1807 CB ASN A 116 2.777 3.873 -9.526 1.00 0.00 C ATOM 1808 CG ASN A 116 4.229 3.743 -9.944 1.00 0.00 C ATOM 1809 OD1 ASN A 116 4.923 2.766 -9.374 1.00 0.00 O flip ATOM 1810 ND2 ASN A 116 4.719 4.513 -10.770 1.00 0.00 N flip ATOM 0 H ASN A 116 4.325 5.534 -7.378 1.00 0.00 H new ATOM 0 HA ASN A 116 2.472 5.781 -8.584 1.00 0.00 H new ATOM 0 HB2 ASN A 116 2.367 2.882 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 116 2.202 4.302 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 116 4.147 5.250 -11.182 1.00 0.00 H new ATOM 0 HD22 ASN A 116 5.697 4.414 -11.042 1.00 0.00 H new ATOM 1817 N PRO A 117 1.156 4.910 -6.328 1.00 0.00 N ATOM 1818 CA PRO A 117 0.009 4.599 -5.470 1.00 0.00 C ATOM 1819 C PRO A 117 -1.308 5.089 -6.063 1.00 0.00 C ATOM 1820 O PRO A 117 -1.487 6.284 -6.295 1.00 0.00 O ATOM 1821 CB PRO A 117 0.323 5.349 -4.173 1.00 0.00 C ATOM 1822 CG PRO A 117 1.216 6.466 -4.588 1.00 0.00 C ATOM 1823 CD PRO A 117 2.026 5.943 -5.741 1.00 0.00 C ATOM 0 HA PRO A 117 -0.121 3.525 -5.337 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -0.586 5.723 -3.702 1.00 0.00 H new ATOM 0 HB3 PRO A 117 0.813 4.699 -3.448 1.00 0.00 H new ATOM 0 HG2 PRO A 117 0.636 7.340 -4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 117 1.862 6.775 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 117 2.257 6.730 -6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 117 2.977 5.526 -5.408 1.00 0.00 H new ATOM 1831 N GLN A 118 -2.225 4.158 -6.305 1.00 0.00 N ATOM 1832 CA GLN A 118 -3.525 4.497 -6.871 1.00 0.00 C ATOM 1833 C GLN A 118 -4.650 3.826 -6.091 1.00 0.00 C ATOM 1834 O GLN A 118 -4.543 2.662 -5.707 1.00 0.00 O ATOM 1835 CB GLN A 118 -3.589 4.080 -8.342 1.00 0.00 C ATOM 1836 CG GLN A 118 -2.953 2.727 -8.618 1.00 0.00 C ATOM 1837 CD GLN A 118 -2.316 2.652 -9.992 1.00 0.00 C ATOM 1838 OE1 GLN A 118 -2.972 2.889 -11.007 1.00 0.00 O ATOM 1839 NE2 GLN A 118 -1.031 2.321 -10.031 1.00 0.00 N ATOM 0 H GLN A 118 -2.092 3.164 -6.118 1.00 0.00 H new ATOM 0 HA GLN A 118 -3.653 5.577 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -4.632 4.054 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -3.091 4.837 -8.948 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.197 2.523 -7.859 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -3.711 1.949 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -0.526 2.133 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -0.548 2.255 -10.927 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.728 4.569 -5.859 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.872 4.045 -5.122 1.00 0.00 C ATOM 1850 C GLU A 119 -8.010 3.680 -6.072 1.00 0.00 C ATOM 1851 O GLU A 119 -8.496 4.521 -6.828 1.00 0.00 O ATOM 1852 CB GLU A 119 -7.359 5.069 -4.096 1.00 0.00 C ATOM 1853 CG GLU A 119 -8.248 4.474 -3.016 1.00 0.00 C ATOM 1854 CD GLU A 119 -9.718 4.509 -3.386 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -10.175 5.548 -3.907 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -10.411 3.497 -3.153 1.00 0.00 O ATOM 0 H GLU A 119 -5.833 5.535 -6.170 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.553 3.143 -4.600 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.495 5.538 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.907 5.856 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.948 3.442 -2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.098 5.021 -2.085 1.00 0.00 H new ATOM 1863 N MET A 120 -8.429 2.419 -6.028 1.00 0.00 N ATOM 1864 CA MET A 120 -9.509 1.943 -6.884 1.00 0.00 C ATOM 1865 C MET A 120 -10.813 2.670 -6.569 1.00 0.00 C ATOM 1866 O MET A 120 -11.019 3.140 -5.450 1.00 0.00 O ATOM 1867 CB MET A 120 -9.698 0.435 -6.710 1.00 0.00 C ATOM 1868 CG MET A 120 -8.578 -0.392 -7.320 1.00 0.00 C ATOM 1869 SD MET A 120 -8.298 -1.939 -6.437 1.00 0.00 S ATOM 1870 CE MET A 120 -9.982 -2.477 -6.152 1.00 0.00 C ATOM 0 H MET A 120 -8.037 1.709 -5.409 1.00 0.00 H new ATOM 0 HA MET A 120 -9.238 2.152 -7.919 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.770 0.206 -5.647 1.00 0.00 H new ATOM 0 HB3 MET A 120 -10.644 0.141 -7.164 1.00 0.00 H new ATOM 0 HG2 MET A 120 -8.818 -0.610 -8.361 1.00 0.00 H new ATOM 0 HG3 MET A 120 -7.658 0.193 -7.321 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.980 -3.512 -5.809 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.443 -1.844 -5.393 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.550 -2.403 -7.080 1.00 0.00 H new ATOM 1880 N VAL A 121 -11.690 2.760 -7.564 1.00 0.00 N ATOM 1881 CA VAL A 121 -12.974 3.429 -7.393 1.00 0.00 C ATOM 1882 C VAL A 121 -13.921 2.592 -6.541 1.00 0.00 C ATOM 1883 O VAL A 121 -14.685 3.125 -5.736 1.00 0.00 O ATOM 1884 CB VAL A 121 -13.642 3.718 -8.751 1.00 0.00 C ATOM 1885 CG1 VAL A 121 -15.010 4.350 -8.549 1.00 0.00 C ATOM 1886 CG2 VAL A 121 -12.752 4.611 -9.602 1.00 0.00 C ATOM 0 H VAL A 121 -11.535 2.378 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 121 -12.774 4.373 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 121 -13.780 2.774 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -15.467 4.547 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -15.645 3.670 -7.981 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -14.901 5.287 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -13.239 4.805 -10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -12.581 5.554 -9.084 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -11.797 4.114 -9.775 1.00 0.00 H new ATOM 1896 N VAL A 122 -13.866 1.277 -6.723 1.00 0.00 N ATOM 1897 CA VAL A 122 -14.717 0.364 -5.969 1.00 0.00 C ATOM 1898 C VAL A 122 -13.890 -0.711 -5.273 1.00 0.00 C ATOM 1899 O VAL A 122 -12.950 -1.258 -5.849 1.00 0.00 O ATOM 1900 CB VAL A 122 -15.757 -0.314 -6.881 1.00 0.00 C ATOM 1901 CG1 VAL A 122 -15.075 -0.990 -8.060 1.00 0.00 C ATOM 1902 CG2 VAL A 122 -16.587 -1.314 -6.089 1.00 0.00 C ATOM 0 H VAL A 122 -13.241 0.819 -7.386 1.00 0.00 H new ATOM 0 HA VAL A 122 -15.236 0.961 -5.219 1.00 0.00 H new ATOM 0 HB VAL A 122 -16.427 0.452 -7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -15.826 -1.463 -8.692 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -14.529 -0.246 -8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -14.380 -1.746 -7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -17.317 -1.784 -6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -15.933 -2.078 -5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -17.107 -0.797 -5.282 1.00 0.00 H new ATOM 1912 N LYS A 123 -14.247 -1.010 -4.028 1.00 0.00 N ATOM 1913 CA LYS A 123 -13.540 -2.021 -3.251 1.00 0.00 C ATOM 1914 C LYS A 123 -14.331 -3.324 -3.206 1.00 0.00 C ATOM 1915 O LYS A 123 -15.561 -3.317 -3.253 1.00 0.00 O ATOM 1916 CB LYS A 123 -13.287 -1.516 -1.829 1.00 0.00 C ATOM 1917 CG LYS A 123 -12.421 -0.270 -1.770 1.00 0.00 C ATOM 1918 CD LYS A 123 -12.789 0.610 -0.587 1.00 0.00 C ATOM 1919 CE LYS A 123 -11.909 1.849 -0.519 1.00 0.00 C ATOM 1920 NZ LYS A 123 -12.502 2.992 -1.266 1.00 0.00 N ATOM 0 H LYS A 123 -15.022 -0.566 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 123 -12.584 -2.214 -3.737 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -14.244 -1.306 -1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -12.810 -2.307 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -11.372 -0.558 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.533 0.296 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.834 0.909 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.689 0.040 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.762 2.133 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -10.925 1.619 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.837 3.310 -1.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -13.391 2.691 -1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -12.693 3.775 -0.608 1.00 0.00 H new ATOM 1934 N PHE A 124 -13.617 -4.441 -3.114 1.00 0.00 N ATOM 1935 CA PHE A 124 -14.253 -5.753 -3.062 1.00 0.00 C ATOM 1936 C PHE A 124 -14.037 -6.409 -1.702 1.00 0.00 C ATOM 1937 O PHE A 124 -12.974 -6.293 -1.091 1.00 0.00 O ATOM 1938 CB PHE A 124 -13.702 -6.654 -4.169 1.00 0.00 C ATOM 1939 CG PHE A 124 -13.270 -5.902 -5.395 1.00 0.00 C ATOM 1940 CD1 PHE A 124 -14.151 -5.058 -6.053 1.00 0.00 C ATOM 1941 CD2 PHE A 124 -11.983 -6.037 -5.889 1.00 0.00 C ATOM 1942 CE1 PHE A 124 -13.755 -4.365 -7.182 1.00 0.00 C ATOM 1943 CE2 PHE A 124 -11.582 -5.347 -7.017 1.00 0.00 C ATOM 1944 CZ PHE A 124 -12.469 -4.509 -7.664 1.00 0.00 C ATOM 0 H PHE A 124 -12.598 -4.464 -3.074 1.00 0.00 H new ATOM 0 HA PHE A 124 -15.324 -5.616 -3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.853 -7.216 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -14.465 -7.381 -4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -15.158 -4.940 -5.680 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -11.284 -6.690 -5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -14.451 -3.711 -7.687 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -10.576 -5.463 -7.392 1.00 0.00 H new ATOM 0 HZ PHE A 124 -12.157 -3.968 -8.545 1.00 0.00 H new ATOM 1954 N PRO A 125 -15.068 -7.114 -1.215 1.00 0.00 N ATOM 1955 CA PRO A 125 -15.016 -7.803 0.078 1.00 0.00 C ATOM 1956 C PRO A 125 -14.077 -9.004 0.058 1.00 0.00 C ATOM 1957 O PRO A 125 -14.503 -10.133 -0.190 1.00 0.00 O ATOM 1958 CB PRO A 125 -16.461 -8.258 0.296 1.00 0.00 C ATOM 1959 CG PRO A 125 -17.036 -8.365 -1.074 1.00 0.00 C ATOM 1960 CD PRO A 125 -16.365 -7.295 -1.890 1.00 0.00 C ATOM 0 HA PRO A 125 -14.634 -7.157 0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.500 -9.214 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.014 -7.541 0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -16.852 -9.352 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -18.116 -8.222 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -16.238 -7.602 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.946 -6.373 -1.899 1.00 0.00 H new ATOM 1968 N ILE A 126 -12.799 -8.755 0.320 1.00 0.00 N ATOM 1969 CA ILE A 126 -11.800 -9.817 0.332 1.00 0.00 C ATOM 1970 C ILE A 126 -11.112 -9.908 1.690 1.00 0.00 C ATOM 1971 O ILE A 126 -11.142 -8.963 2.479 1.00 0.00 O ATOM 1972 CB ILE A 126 -10.734 -9.600 -0.757 1.00 0.00 C ATOM 1973 CG1 ILE A 126 -10.108 -8.211 -0.621 1.00 0.00 C ATOM 1974 CG2 ILE A 126 -11.345 -9.778 -2.139 1.00 0.00 C ATOM 1975 CD1 ILE A 126 -9.061 -8.124 0.467 1.00 0.00 C ATOM 0 H ILE A 126 -12.430 -7.827 0.527 1.00 0.00 H new ATOM 0 HA ILE A 126 -12.328 -10.749 0.131 1.00 0.00 H new ATOM 0 HB ILE A 126 -9.949 -10.345 -0.629 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -9.656 -7.930 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE A 126 -10.895 -7.485 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -10.579 -9.621 -2.898 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -11.747 -10.787 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -12.147 -9.053 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 126 -8.660 -7.111 0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 126 -9.513 -8.373 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -8.254 -8.825 0.253 1.00 0.00 H new ATOM 1987 N LYS A 127 -10.491 -11.052 1.957 1.00 0.00 N ATOM 1988 CA LYS A 127 -9.792 -11.268 3.218 1.00 0.00 C ATOM 1989 C LYS A 127 -8.290 -11.059 3.050 1.00 0.00 C ATOM 1990 O LYS A 127 -7.689 -11.546 2.093 1.00 0.00 O ATOM 1991 CB LYS A 127 -10.066 -12.679 3.742 1.00 0.00 C ATOM 1992 CG LYS A 127 -9.697 -13.776 2.758 1.00 0.00 C ATOM 1993 CD LYS A 127 -9.749 -15.148 3.408 1.00 0.00 C ATOM 1994 CE LYS A 127 -8.541 -15.390 4.299 1.00 0.00 C ATOM 1995 NZ LYS A 127 -8.745 -16.551 5.208 1.00 0.00 N ATOM 0 H LYS A 127 -10.458 -11.845 1.316 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.164 -10.541 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.508 -12.829 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.124 -12.766 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -10.379 -13.749 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -8.695 -13.595 2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.661 -15.238 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.792 -15.916 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -7.662 -15.565 3.679 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -8.341 -14.497 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -7.899 -16.682 5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.569 -16.374 5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.910 -17.409 4.644 1.00 0.00 H new ATOM 2009 N GLY A 128 -7.689 -10.333 3.988 1.00 0.00 N ATOM 2010 CA GLY A 128 -6.263 -10.075 3.925 1.00 0.00 C ATOM 2011 C GLY A 128 -5.456 -11.082 4.720 1.00 0.00 C ATOM 2012 O GLY A 128 -6.011 -12.015 5.298 1.00 0.00 O ATOM 0 H GLY A 128 -8.165 -9.919 4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -5.939 -10.095 2.884 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -6.061 -9.073 4.303 1.00 0.00 H new ATOM 2016 N ASN A 129 -4.140 -10.894 4.749 1.00 0.00 N ATOM 2017 CA ASN A 129 -3.255 -11.795 5.477 1.00 0.00 C ATOM 2018 C ASN A 129 -1.907 -11.133 5.746 1.00 0.00 C ATOM 2019 O ASN A 129 -1.513 -10.176 5.079 1.00 0.00 O ATOM 2020 CB ASN A 129 -3.052 -13.091 4.689 1.00 0.00 C ATOM 2021 CG ASN A 129 -4.173 -14.086 4.914 1.00 0.00 C ATOM 2022 OD1 ASN A 129 -4.348 -14.508 6.161 1.00 0.00 O flip ATOM 2023 ND2 ASN A 129 -4.874 -14.471 3.977 1.00 0.00 N flip ATOM 0 H ASN A 129 -3.664 -10.126 4.277 1.00 0.00 H new ATOM 0 HA ASN A 129 -3.722 -12.029 6.434 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.983 -12.860 3.626 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -2.104 -13.544 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -4.704 -14.120 3.035 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -5.625 -15.141 4.144 1.00 0.00 H new ATOM 2030 N PRO A 130 -1.181 -11.655 6.747 1.00 0.00 N ATOM 2031 CA PRO A 130 0.134 -11.131 7.126 1.00 0.00 C ATOM 2032 C PRO A 130 1.199 -11.419 6.073 1.00 0.00 C ATOM 2033 O PRO A 130 2.363 -11.052 6.235 1.00 0.00 O ATOM 2034 CB PRO A 130 0.451 -11.877 8.425 1.00 0.00 C ATOM 2035 CG PRO A 130 -0.334 -13.139 8.338 1.00 0.00 C ATOM 2036 CD PRO A 130 -1.589 -12.795 7.584 1.00 0.00 C ATOM 0 HA PRO A 130 0.126 -10.046 7.232 1.00 0.00 H new ATOM 0 HB2 PRO A 130 1.518 -12.080 8.515 1.00 0.00 H new ATOM 0 HB3 PRO A 130 0.163 -11.291 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 130 0.231 -13.915 7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -0.568 -13.522 9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.938 -13.633 6.980 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -2.403 -12.528 8.258 1.00 0.00 H new ATOM 2044 N LYS A 131 0.793 -12.078 4.993 1.00 0.00 N ATOM 2045 CA LYS A 131 1.711 -12.414 3.912 1.00 0.00 C ATOM 2046 C LYS A 131 1.070 -12.154 2.553 1.00 0.00 C ATOM 2047 O LYS A 131 -0.043 -11.632 2.471 1.00 0.00 O ATOM 2048 CB LYS A 131 2.137 -13.881 4.014 1.00 0.00 C ATOM 2049 CG LYS A 131 2.916 -14.201 5.278 1.00 0.00 C ATOM 2050 CD LYS A 131 4.366 -13.759 5.167 1.00 0.00 C ATOM 2051 CE LYS A 131 5.185 -14.738 4.340 1.00 0.00 C ATOM 2052 NZ LYS A 131 5.260 -16.080 4.982 1.00 0.00 N ATOM 0 H LYS A 131 -0.167 -12.390 4.843 1.00 0.00 H new ATOM 0 HA LYS A 131 2.592 -11.779 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 131 1.249 -14.512 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 131 2.747 -14.135 3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 131 2.448 -13.707 6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 131 2.875 -15.273 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 131 4.412 -12.769 4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 131 4.798 -13.672 6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 131 4.743 -14.834 3.348 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.192 -14.344 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 6.100 -16.585 4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.327 -15.968 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 4.406 -16.625 4.747 1.00 0.00 H new ATOM 2066 N ILE A 132 1.777 -12.521 1.490 1.00 0.00 N ATOM 2067 CA ILE A 132 1.274 -12.329 0.135 1.00 0.00 C ATOM 2068 C ILE A 132 0.376 -13.487 -0.287 1.00 0.00 C ATOM 2069 O ILE A 132 0.657 -14.646 0.014 1.00 0.00 O ATOM 2070 CB ILE A 132 2.426 -12.192 -0.879 1.00 0.00 C ATOM 2071 CG1 ILE A 132 3.352 -11.042 -0.479 1.00 0.00 C ATOM 2072 CG2 ILE A 132 1.875 -11.974 -2.280 1.00 0.00 C ATOM 2073 CD1 ILE A 132 4.596 -10.943 -1.333 1.00 0.00 C ATOM 0 H ILE A 132 2.700 -12.953 1.540 1.00 0.00 H new ATOM 0 HA ILE A 132 0.694 -11.406 0.141 1.00 0.00 H new ATOM 0 HB ILE A 132 3.004 -13.116 -0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 132 2.801 -10.104 -0.543 1.00 0.00 H new ATOM 0 HG13 ILE A 132 3.646 -11.168 0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 132 2.701 -11.879 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 132 1.253 -12.823 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 132 1.276 -11.063 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 132 5.205 -10.106 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.169 -11.866 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 132 4.312 -10.785 -2.373 1.00 0.00 H new ATOM 2085 N TRP A 133 -0.705 -13.164 -0.988 1.00 0.00 N ATOM 2086 CA TRP A 133 -1.645 -14.177 -1.453 1.00 0.00 C ATOM 2087 C TRP A 133 -2.250 -13.783 -2.796 1.00 0.00 C ATOM 2088 O TRP A 133 -2.753 -12.671 -2.960 1.00 0.00 O ATOM 2089 CB TRP A 133 -2.755 -14.386 -0.422 1.00 0.00 C ATOM 2090 CG TRP A 133 -3.381 -13.106 0.044 1.00 0.00 C ATOM 2091 CD1 TRP A 133 -2.821 -12.173 0.870 1.00 0.00 C ATOM 2092 CD2 TRP A 133 -4.686 -12.620 -0.288 1.00 0.00 C ATOM 2093 NE1 TRP A 133 -3.700 -11.136 1.071 1.00 0.00 N ATOM 2094 CE2 TRP A 133 -4.851 -11.386 0.372 1.00 0.00 C ATOM 2095 CE3 TRP A 133 -5.731 -13.106 -1.079 1.00 0.00 C ATOM 2096 CZ2 TRP A 133 -6.019 -10.635 0.264 1.00 0.00 C ATOM 2097 CZ3 TRP A 133 -6.889 -12.359 -1.185 1.00 0.00 C ATOM 2098 CH2 TRP A 133 -7.025 -11.135 -0.517 1.00 0.00 C ATOM 0 H TRP A 133 -0.952 -12.209 -1.247 1.00 0.00 H new ATOM 0 HA TRP A 133 -1.098 -15.111 -1.581 1.00 0.00 H new ATOM 0 HB2 TRP A 133 -3.527 -15.024 -0.854 1.00 0.00 H new ATOM 0 HB3 TRP A 133 -2.347 -14.917 0.438 1.00 0.00 H new ATOM 0 HD1 TRP A 133 -1.833 -12.240 1.301 1.00 0.00 H new ATOM 0 HE1 TRP A 133 -3.524 -10.313 1.647 1.00 0.00 H new ATOM 0 HE3 TRP A 133 -5.635 -14.048 -1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 -6.127 -9.692 0.778 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 -7.703 -12.725 -1.793 1.00 0.00 H new ATOM 0 HH2 TRP A 133 -7.943 -10.575 -0.621 1.00 0.00 H new ATOM 2109 N LYS A 134 -2.198 -14.700 -3.756 1.00 0.00 N ATOM 2110 CA LYS A 134 -2.742 -14.449 -5.085 1.00 0.00 C ATOM 2111 C LYS A 134 -4.215 -14.060 -5.006 1.00 0.00 C ATOM 2112 O LYS A 134 -5.012 -14.735 -4.353 1.00 0.00 O ATOM 2113 CB LYS A 134 -2.578 -15.688 -5.968 1.00 0.00 C ATOM 2114 CG LYS A 134 -2.481 -15.371 -7.450 1.00 0.00 C ATOM 2115 CD LYS A 134 -1.887 -16.531 -8.232 1.00 0.00 C ATOM 2116 CE LYS A 134 -0.370 -16.437 -8.302 1.00 0.00 C ATOM 2117 NZ LYS A 134 0.213 -17.510 -9.155 1.00 0.00 N ATOM 0 H LYS A 134 -1.784 -15.625 -3.638 1.00 0.00 H new ATOM 0 HA LYS A 134 -2.189 -13.620 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 134 -1.681 -16.226 -5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 134 -3.423 -16.356 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS A 134 -3.473 -15.139 -7.839 1.00 0.00 H new ATOM 0 HG3 LYS A 134 -1.867 -14.482 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 134 -2.173 -17.472 -7.762 1.00 0.00 H new ATOM 0 HD3 LYS A 134 -2.299 -16.540 -9.241 1.00 0.00 H new ATOM 0 HE2 LYS A 134 -0.084 -15.463 -8.698 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.045 -16.506 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 1.248 -17.412 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 -0.038 -18.440 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 -0.163 -17.428 -10.121 1.00 0.00 H new ATOM 2131 N LEU A 135 -4.570 -12.968 -5.674 1.00 0.00 N ATOM 2132 CA LEU A 135 -5.948 -12.490 -5.681 1.00 0.00 C ATOM 2133 C LEU A 135 -6.866 -13.481 -6.390 1.00 0.00 C ATOM 2134 O LEU A 135 -6.400 -14.416 -7.042 1.00 0.00 O ATOM 2135 CB LEU A 135 -6.031 -11.123 -6.362 1.00 0.00 C ATOM 2136 CG LEU A 135 -5.696 -9.915 -5.486 1.00 0.00 C ATOM 2137 CD1 LEU A 135 -5.428 -8.690 -6.347 1.00 0.00 C ATOM 2138 CD2 LEU A 135 -6.824 -9.641 -4.502 1.00 0.00 C ATOM 0 H LEU A 135 -3.923 -12.397 -6.218 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.278 -12.395 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -5.356 -11.124 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.041 -10.995 -6.752 1.00 0.00 H new ATOM 0 HG LEU A 135 -4.793 -10.140 -4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -5.191 -7.840 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -4.587 -8.889 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.313 -8.462 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -6.569 -8.778 -3.887 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.743 -9.436 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.969 -10.512 -3.863 1.00 0.00 H new ATOM 2150 N ASP A 136 -8.171 -13.268 -6.260 1.00 0.00 N ATOM 2151 CA ASP A 136 -9.154 -14.141 -6.892 1.00 0.00 C ATOM 2152 C ASP A 136 -9.273 -13.837 -8.382 1.00 0.00 C ATOM 2153 O ASP A 136 -9.483 -12.690 -8.777 1.00 0.00 O ATOM 2154 CB ASP A 136 -10.517 -13.982 -6.216 1.00 0.00 C ATOM 2155 CG ASP A 136 -11.333 -15.259 -6.252 1.00 0.00 C ATOM 2156 OD1 ASP A 136 -11.097 -16.139 -5.398 1.00 0.00 O ATOM 2157 OD2 ASP A 136 -12.209 -15.378 -7.134 1.00 0.00 O ATOM 0 H ASP A 136 -8.573 -12.499 -5.723 1.00 0.00 H new ATOM 0 HA ASP A 136 -8.817 -15.171 -6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -10.372 -13.676 -5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -11.073 -13.185 -6.709 1.00 0.00 H new ATOM 2162 N SER A 137 -9.135 -14.872 -9.205 1.00 0.00 N ATOM 2163 CA SER A 137 -9.222 -14.715 -10.652 1.00 0.00 C ATOM 2164 C SER A 137 -10.248 -13.648 -11.022 1.00 0.00 C ATOM 2165 O SER A 137 -10.031 -12.852 -11.936 1.00 0.00 O ATOM 2166 CB SER A 137 -9.594 -16.045 -11.309 1.00 0.00 C ATOM 2167 OG SER A 137 -8.439 -16.817 -11.589 1.00 0.00 O ATOM 0 H SER A 137 -8.963 -15.828 -8.894 1.00 0.00 H new ATOM 0 HA SER A 137 -8.245 -14.398 -11.017 1.00 0.00 H new ATOM 0 HB2 SER A 137 -10.259 -16.605 -10.652 1.00 0.00 H new ATOM 0 HB3 SER A 137 -10.142 -15.857 -12.232 1.00 0.00 H new ATOM 0 HG SER A 137 -8.704 -17.663 -12.007 1.00 0.00 H new ATOM 2173 N LYS A 138 -11.365 -13.636 -10.304 1.00 0.00 N ATOM 2174 CA LYS A 138 -12.426 -12.667 -10.553 1.00 0.00 C ATOM 2175 C LYS A 138 -12.035 -11.287 -10.034 1.00 0.00 C ATOM 2176 O LYS A 138 -12.264 -10.276 -10.699 1.00 0.00 O ATOM 2177 CB LYS A 138 -13.728 -13.123 -9.890 1.00 0.00 C ATOM 2178 CG LYS A 138 -14.453 -14.213 -10.659 1.00 0.00 C ATOM 2179 CD LYS A 138 -13.901 -15.590 -10.329 1.00 0.00 C ATOM 2180 CE LYS A 138 -14.581 -16.675 -11.149 1.00 0.00 C ATOM 2181 NZ LYS A 138 -15.876 -17.096 -10.547 1.00 0.00 N ATOM 0 H LYS A 138 -11.560 -14.287 -9.544 1.00 0.00 H new ATOM 0 HA LYS A 138 -12.578 -12.601 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -13.507 -13.484 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -14.391 -12.264 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -15.517 -14.180 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -14.358 -14.029 -11.729 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -12.828 -15.608 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -14.040 -15.794 -9.267 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -14.753 -16.311 -12.162 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -13.920 -17.538 -11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -16.308 -17.837 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -15.709 -17.467 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -16.516 -16.278 -10.494 1.00 0.00 H new ATOM 2195 N ILE A 139 -11.443 -11.253 -8.845 1.00 0.00 N ATOM 2196 CA ILE A 139 -11.018 -9.997 -8.240 1.00 0.00 C ATOM 2197 C ILE A 139 -9.930 -9.326 -9.072 1.00 0.00 C ATOM 2198 O ILE A 139 -9.913 -8.104 -9.221 1.00 0.00 O ATOM 2199 CB ILE A 139 -10.494 -10.211 -6.808 1.00 0.00 C ATOM 2200 CG1 ILE A 139 -11.621 -10.705 -5.898 1.00 0.00 C ATOM 2201 CG2 ILE A 139 -9.894 -8.923 -6.265 1.00 0.00 C ATOM 2202 CD1 ILE A 139 -12.662 -9.650 -5.598 1.00 0.00 C ATOM 0 H ILE A 139 -11.247 -12.080 -8.282 1.00 0.00 H new ATOM 0 HA ILE A 139 -11.895 -9.351 -8.205 1.00 0.00 H new ATOM 0 HB ILE A 139 -9.712 -10.970 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 139 -12.107 -11.560 -6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 139 -11.192 -11.057 -4.960 1.00 0.00 H new ATOM 0 HG21 ILE A 139 -9.528 -9.091 -5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 139 -9.067 -8.610 -6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 139 -10.656 -8.144 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 139 -13.429 -10.071 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 139 -12.189 -8.803 -5.100 1.00 0.00 H new ATOM 0 HD13 ILE A 139 -13.119 -9.315 -6.529 1.00 0.00 H new ATOM 2214 N HIS A 140 -9.024 -10.134 -9.613 1.00 0.00 N ATOM 2215 CA HIS A 140 -7.933 -9.618 -10.433 1.00 0.00 C ATOM 2216 C HIS A 140 -8.450 -8.609 -11.453 1.00 0.00 C ATOM 2217 O HIS A 140 -8.109 -7.427 -11.398 1.00 0.00 O ATOM 2218 CB HIS A 140 -7.220 -10.765 -11.150 1.00 0.00 C ATOM 2219 CG HIS A 140 -5.930 -10.360 -11.793 1.00 0.00 C ATOM 2220 ND1 HIS A 140 -5.388 -11.020 -12.876 1.00 0.00 N ATOM 2221 CD2 HIS A 140 -5.073 -9.353 -11.501 1.00 0.00 C ATOM 2222 CE1 HIS A 140 -4.253 -10.438 -13.221 1.00 0.00 C ATOM 2223 NE2 HIS A 140 -4.039 -9.424 -12.402 1.00 0.00 N ATOM 0 H HIS A 140 -9.023 -11.148 -9.499 1.00 0.00 H new ATOM 0 HA HIS A 140 -7.225 -9.113 -9.776 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -7.025 -11.564 -10.435 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -7.883 -11.174 -11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -5.182 -8.629 -10.707 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -3.610 -10.740 -14.034 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -3.236 -8.796 -12.434 1.00 0.00 H new ATOM 2231 N GLN A 141 -9.274 -9.082 -12.383 1.00 0.00 N ATOM 2232 CA GLN A 141 -9.837 -8.220 -13.415 1.00 0.00 C ATOM 2233 C GLN A 141 -10.446 -6.963 -12.803 1.00 0.00 C ATOM 2234 O GLN A 141 -9.936 -5.860 -12.989 1.00 0.00 O ATOM 2235 CB GLN A 141 -10.896 -8.976 -14.219 1.00 0.00 C ATOM 2236 CG GLN A 141 -10.345 -10.171 -14.980 1.00 0.00 C ATOM 2237 CD GLN A 141 -9.654 -9.774 -16.269 1.00 0.00 C ATOM 2238 OE1 GLN A 141 -9.694 -8.613 -16.676 1.00 0.00 O ATOM 2239 NE2 GLN A 141 -9.014 -10.739 -16.920 1.00 0.00 N ATOM 0 H GLN A 141 -9.566 -10.057 -12.443 1.00 0.00 H new ATOM 0 HA GLN A 141 -9.029 -7.921 -14.083 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -11.679 -9.317 -13.542 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -11.362 -8.289 -14.926 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.640 -10.708 -14.345 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -11.159 -10.860 -15.206 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -9.006 -11.688 -16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -8.530 -10.531 -17.793 1.00 0.00 H new ATOM 2248 N GLY A 142 -11.542 -7.139 -12.071 1.00 0.00 N ATOM 2249 CA GLY A 142 -12.204 -6.011 -11.443 1.00 0.00 C ATOM 2250 C GLY A 142 -11.222 -4.975 -10.932 1.00 0.00 C ATOM 2251 O GLY A 142 -11.316 -3.797 -11.278 1.00 0.00 O ATOM 0 H GLY A 142 -11.983 -8.043 -11.902 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -12.880 -5.545 -12.160 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -12.816 -6.368 -10.614 1.00 0.00 H new ATOM 2255 N ALA A 143 -10.279 -5.413 -10.105 1.00 0.00 N ATOM 2256 CA ALA A 143 -9.277 -4.515 -9.545 1.00 0.00 C ATOM 2257 C ALA A 143 -8.566 -3.732 -10.644 1.00 0.00 C ATOM 2258 O ALA A 143 -8.302 -2.538 -10.499 1.00 0.00 O ATOM 2259 CB ALA A 143 -8.269 -5.299 -8.717 1.00 0.00 C ATOM 0 H ALA A 143 -10.188 -6.385 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 143 -9.786 -3.801 -8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -7.527 -4.616 -8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -8.785 -5.808 -7.903 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.773 -6.035 -9.349 1.00 0.00 H new ATOM 2265 N LYS A 144 -8.258 -4.412 -11.743 1.00 0.00 N ATOM 2266 CA LYS A 144 -7.578 -3.780 -12.868 1.00 0.00 C ATOM 2267 C LYS A 144 -8.484 -2.757 -13.546 1.00 0.00 C ATOM 2268 O LYS A 144 -8.017 -1.902 -14.299 1.00 0.00 O ATOM 2269 CB LYS A 144 -7.138 -4.838 -13.883 1.00 0.00 C ATOM 2270 CG LYS A 144 -6.064 -5.775 -13.357 1.00 0.00 C ATOM 2271 CD LYS A 144 -6.220 -7.176 -13.924 1.00 0.00 C ATOM 2272 CE LYS A 144 -6.252 -7.161 -15.445 1.00 0.00 C ATOM 2273 NZ LYS A 144 -7.063 -8.283 -15.993 1.00 0.00 N ATOM 0 H LYS A 144 -8.468 -5.401 -11.879 1.00 0.00 H new ATOM 0 HA LYS A 144 -6.698 -3.263 -12.485 1.00 0.00 H new ATOM 0 HB2 LYS A 144 -8.006 -5.425 -14.183 1.00 0.00 H new ATOM 0 HB3 LYS A 144 -6.767 -4.339 -14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 144 -5.080 -5.384 -13.616 1.00 0.00 H new ATOM 0 HG3 LYS A 144 -6.115 -5.814 -12.269 1.00 0.00 H new ATOM 0 HD2 LYS A 144 -5.396 -7.802 -13.582 1.00 0.00 H new ATOM 0 HD3 LYS A 144 -7.138 -7.623 -13.544 1.00 0.00 H new ATOM 0 HE2 LYS A 144 -6.664 -6.213 -15.790 1.00 0.00 H new ATOM 0 HE3 LYS A 144 -5.235 -7.226 -15.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 -6.600 -8.663 -16.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 -7.145 -9.034 -15.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 -8.012 -7.937 -16.241 1.00 0.00 H new ATOM 2287 N LYS A 145 -9.781 -2.848 -13.273 1.00 0.00 N ATOM 2288 CA LYS A 145 -10.752 -1.929 -13.854 1.00 0.00 C ATOM 2289 C LYS A 145 -10.940 -0.703 -12.965 1.00 0.00 C ATOM 2290 O LYS A 145 -10.873 0.432 -13.434 1.00 0.00 O ATOM 2291 CB LYS A 145 -12.094 -2.635 -14.058 1.00 0.00 C ATOM 2292 CG LYS A 145 -11.972 -3.992 -14.730 1.00 0.00 C ATOM 2293 CD LYS A 145 -11.613 -3.856 -16.200 1.00 0.00 C ATOM 2294 CE LYS A 145 -12.801 -3.379 -17.022 1.00 0.00 C ATOM 2295 NZ LYS A 145 -13.644 -4.514 -17.489 1.00 0.00 N ATOM 0 H LYS A 145 -10.184 -3.550 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 145 -10.371 -1.600 -14.821 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -12.580 -2.761 -13.090 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -12.742 -1.998 -14.660 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -11.210 -4.584 -14.222 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -12.913 -4.533 -14.633 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -10.787 -3.153 -16.310 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -11.267 -4.817 -16.582 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -13.407 -2.699 -16.424 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -12.444 -2.814 -17.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -14.443 -4.147 -18.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -13.073 -5.150 -18.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -14.006 -5.038 -16.667 1.00 0.00 H new ATOM 2309 N GLY A 146 -11.176 -0.941 -11.678 1.00 0.00 N ATOM 2310 CA GLY A 146 -11.368 0.153 -10.745 1.00 0.00 C ATOM 2311 C GLY A 146 -10.423 1.309 -11.003 1.00 0.00 C ATOM 2312 O GLY A 146 -10.706 2.448 -10.630 1.00 0.00 O ATOM 0 H GLY A 146 -11.238 -1.872 -11.266 1.00 0.00 H new ATOM 0 HA2 GLY A 146 -12.397 0.507 -10.812 1.00 0.00 H new ATOM 0 HA3 GLY A 146 -11.222 -0.211 -9.728 1.00 0.00 H new ATOM 2316 N LEU A 147 -9.295 1.017 -11.642 1.00 0.00 N ATOM 2317 CA LEU A 147 -8.303 2.041 -11.949 1.00 0.00 C ATOM 2318 C LEU A 147 -8.687 2.812 -13.208 1.00 0.00 C ATOM 2319 O LEU A 147 -7.831 3.156 -14.022 1.00 0.00 O ATOM 2320 CB LEU A 147 -6.923 1.405 -12.128 1.00 0.00 C ATOM 2321 CG LEU A 147 -6.517 0.375 -11.074 1.00 0.00 C ATOM 2322 CD1 LEU A 147 -5.153 -0.213 -11.399 1.00 0.00 C ATOM 2323 CD2 LEU A 147 -6.512 1.004 -9.688 1.00 0.00 C ATOM 0 H LEU A 147 -9.045 0.080 -11.957 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.269 2.740 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.890 0.926 -13.107 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -6.177 2.200 -12.137 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.249 -0.433 -11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -4.881 -0.944 -10.638 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -5.190 -0.700 -12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -4.409 0.583 -11.419 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.221 0.256 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.802 1.831 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -7.509 1.376 -9.454 1.00 0.00 H new ATOM 2335 N MET A 148 -9.979 3.082 -13.359 1.00 0.00 N ATOM 2336 CA MET A 148 -10.476 3.815 -14.517 1.00 0.00 C ATOM 2337 C MET A 148 -10.837 5.248 -14.139 1.00 0.00 C ATOM 2338 O MET A 148 -10.625 6.179 -14.917 1.00 0.00 O ATOM 2339 CB MET A 148 -11.698 3.109 -15.109 1.00 0.00 C ATOM 2340 CG MET A 148 -12.816 2.884 -14.105 1.00 0.00 C ATOM 2341 SD MET A 148 -14.444 2.829 -14.879 1.00 0.00 S ATOM 2342 CE MET A 148 -14.372 1.241 -15.705 1.00 0.00 C ATOM 0 H MET A 148 -10.701 2.804 -12.694 1.00 0.00 H new ATOM 0 HA MET A 148 -9.684 3.843 -15.265 1.00 0.00 H new ATOM 0 HB2 MET A 148 -12.081 3.700 -15.941 1.00 0.00 H new ATOM 0 HB3 MET A 148 -11.389 2.147 -15.518 1.00 0.00 H new ATOM 0 HG2 MET A 148 -12.639 1.949 -13.573 1.00 0.00 H new ATOM 0 HG3 MET A 148 -12.798 3.681 -13.362 1.00 0.00 H new ATOM 0 HE1 MET A 148 -15.310 1.062 -16.231 1.00 0.00 H new ATOM 0 HE2 MET A 148 -13.549 1.240 -16.420 1.00 0.00 H new ATOM 0 HE3 MET A 148 -14.213 0.454 -14.968 1.00 0.00 H new ATOM 2352 N LYS A 149 -11.383 5.420 -12.940 1.00 0.00 N ATOM 2353 CA LYS A 149 -11.772 6.740 -12.458 1.00 0.00 C ATOM 2354 C LYS A 149 -11.102 7.051 -11.123 1.00 0.00 C ATOM 2355 O LYS A 149 -11.724 6.943 -10.067 1.00 0.00 O ATOM 2356 CB LYS A 149 -13.293 6.823 -12.308 1.00 0.00 C ATOM 2357 CG LYS A 149 -13.984 7.490 -13.485 1.00 0.00 C ATOM 2358 CD LYS A 149 -14.530 6.466 -14.465 1.00 0.00 C ATOM 2359 CE LYS A 149 -13.538 6.179 -15.582 1.00 0.00 C ATOM 2360 NZ LYS A 149 -14.220 5.729 -16.827 1.00 0.00 N ATOM 0 H LYS A 149 -11.566 4.661 -12.284 1.00 0.00 H new ATOM 0 HA LYS A 149 -11.444 7.478 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 149 -13.693 5.817 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 149 -13.531 7.374 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 149 -14.798 8.118 -13.122 1.00 0.00 H new ATOM 0 HG3 LYS A 149 -13.280 8.146 -13.997 1.00 0.00 H new ATOM 0 HD2 LYS A 149 -14.761 5.542 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 149 -15.464 6.831 -14.892 1.00 0.00 H new ATOM 0 HE2 LYS A 149 -12.956 7.077 -15.791 1.00 0.00 H new ATOM 0 HE3 LYS A 149 -12.835 5.413 -15.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 149 -13.557 5.787 -17.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 149 -14.538 4.746 -16.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 149 -15.041 6.339 -17.013 1.00 0.00 H new ATOM 2374 N GLN A 150 -9.832 7.437 -11.180 1.00 0.00 N ATOM 2375 CA GLN A 150 -9.079 7.765 -9.975 1.00 0.00 C ATOM 2376 C GLN A 150 -9.474 9.138 -9.442 1.00 0.00 C ATOM 2377 O GLN A 150 -10.146 9.909 -10.125 1.00 0.00 O ATOM 2378 CB GLN A 150 -7.576 7.728 -10.261 1.00 0.00 C ATOM 2379 CG GLN A 150 -7.076 6.365 -10.710 1.00 0.00 C ATOM 2380 CD GLN A 150 -7.399 5.267 -9.716 1.00 0.00 C ATOM 2381 OE1 GLN A 150 -6.611 4.979 -8.814 1.00 0.00 O ATOM 2382 NE2 GLN A 150 -8.563 4.649 -9.874 1.00 0.00 N ATOM 0 H GLN A 150 -9.303 7.530 -12.047 1.00 0.00 H new ATOM 0 HA GLN A 150 -9.316 7.020 -9.216 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -7.343 8.463 -11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -7.036 8.026 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -7.521 6.119 -11.674 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -5.997 6.409 -10.859 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -9.185 4.920 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -8.835 3.903 -9.234 1.00 0.00 H new ATOM 2391 N ASN A 151 -9.052 9.436 -8.217 1.00 0.00 N ATOM 2392 CA ASN A 151 -9.362 10.717 -7.593 1.00 0.00 C ATOM 2393 C ASN A 151 -9.129 11.868 -8.566 1.00 0.00 C ATOM 2394 O ASN A 151 -8.589 11.675 -9.655 1.00 0.00 O ATOM 2395 CB ASN A 151 -8.511 10.915 -6.337 1.00 0.00 C ATOM 2396 CG ASN A 151 -8.374 9.643 -5.524 1.00 0.00 C ATOM 2397 OD1 ASN A 151 -9.351 8.926 -5.303 1.00 0.00 O ATOM 2398 ND2 ASN A 151 -7.158 9.356 -5.073 1.00 0.00 N ATOM 0 H ASN A 151 -8.495 8.808 -7.637 1.00 0.00 H new ATOM 0 HA ASN A 151 -10.415 10.711 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 151 -7.520 11.267 -6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 151 -8.958 11.692 -5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 151 -7.005 8.513 -4.520 1.00 0.00 H new ATOM 0 HD22 ASN A 151 -6.377 9.979 -5.280 1.00 0.00 H new ATOM 2405 N LYS A 152 -9.540 13.066 -8.166 1.00 0.00 N ATOM 2406 CA LYS A 152 -9.376 14.250 -9.001 1.00 0.00 C ATOM 2407 C LYS A 152 -7.919 14.704 -9.020 1.00 0.00 C ATOM 2408 O LYS A 152 -7.398 15.105 -10.061 1.00 0.00 O ATOM 2409 CB LYS A 152 -10.268 15.386 -8.493 1.00 0.00 C ATOM 2410 CG LYS A 152 -11.698 15.308 -8.999 1.00 0.00 C ATOM 2411 CD LYS A 152 -12.559 14.435 -8.102 1.00 0.00 C ATOM 2412 CE LYS A 152 -12.877 15.129 -6.786 1.00 0.00 C ATOM 2413 NZ LYS A 152 -13.768 14.305 -5.924 1.00 0.00 N ATOM 0 H LYS A 152 -9.990 13.243 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 152 -9.672 13.991 -10.018 1.00 0.00 H new ATOM 0 HB2 LYS A 152 -10.276 15.371 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 152 -9.836 16.340 -8.796 1.00 0.00 H new ATOM 0 HG2 LYS A 152 -12.123 16.311 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 152 -11.705 14.908 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 152 -13.487 14.187 -8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 152 -12.043 13.495 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 152 -11.950 15.339 -6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 152 -13.353 16.089 -6.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 -13.960 14.813 -5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 -14.663 14.126 -6.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 -13.303 13.399 -5.710 1.00 0.00 H new ATOM 2427 N ALA A 153 -7.268 14.636 -7.864 1.00 0.00 N ATOM 2428 CA ALA A 153 -5.871 15.037 -7.750 1.00 0.00 C ATOM 2429 C ALA A 153 -4.981 14.188 -8.652 1.00 0.00 C ATOM 2430 O ALA A 153 -4.282 14.710 -9.520 1.00 0.00 O ATOM 2431 CB ALA A 153 -5.409 14.935 -6.303 1.00 0.00 C ATOM 0 H ALA A 153 -7.685 14.307 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 153 -5.789 16.074 -8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 153 -4.364 15.237 -6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 153 -6.019 15.589 -5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 153 -5.513 13.906 -5.960 1.00 0.00 H new ATOM 2437 N VAL A 154 -5.011 12.876 -8.440 1.00 0.00 N ATOM 2438 CA VAL A 154 -4.208 11.955 -9.234 1.00 0.00 C ATOM 2439 C VAL A 154 -4.730 11.862 -10.664 1.00 0.00 C ATOM 2440 O VAL A 154 -5.666 11.115 -10.946 1.00 0.00 O ATOM 2441 CB VAL A 154 -4.191 10.545 -8.613 1.00 0.00 C ATOM 2442 CG1 VAL A 154 -3.390 9.588 -9.482 1.00 0.00 C ATOM 2443 CG2 VAL A 154 -3.630 10.593 -7.200 1.00 0.00 C ATOM 0 H VAL A 154 -5.583 12.427 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 154 -3.193 12.351 -9.246 1.00 0.00 H new ATOM 0 HB VAL A 154 -5.216 10.177 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 154 -3.389 8.597 -9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 154 -3.841 9.532 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 154 -2.365 9.948 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 154 -3.625 9.589 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 154 -2.612 10.981 -7.226 1.00 0.00 H new ATOM 0 HG23 VAL A 154 -4.251 11.244 -6.584 1.00 0.00 H new TER 2453 VAL A 154